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 2c9h_1_A DATA FIRST_RESID 18 DATA SEQUENCE LYFQSMRLHR RVVITGIGLV TPLGVGTHLV WDRLIGGESG IVSLVGEEYK DATA SEQUENCE SIPCSVAAYV PRGSDEGQFN EQNFVSKSDI KSMSSPTIMA IGAAELAMKD DATA SEQUENCE SGWHPQSEAD QVATGVAIGM GMIPLEVVSE TALNFQTKGY NKVSPFFVPK DATA SEQUENCE ILVNMAAGQV SIRYKLKGPN HAVSTAXTTG AHAVGDSFRF IAHGDADVMV DATA SEQUENCE AGGTDSCISP LSLAGFSRAR ALSTNSDPKL ACRPFHPKRD GFVMGEGAAV DATA SEQUENCE LVLEEYEHAV QRRARIYAEV LGYGLSGDAG HITAPDPEGE GALRCMAAAL DATA SEQUENCE KDAGVQPEEI SYINAHATST PLGDAAENKA IKHLFKDHAY ALAVSSTKGA DATA SEQUENCE TGHLLGAAGA VEAAFTTLAC YYQKLPPTLN LDCSEPEFDL NYVPLKAQEW DATA SEQUENCE KTEKRFIGLT NSFGFGGTNA TLCIAGL 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 18 L HA 0.000 nan 4.340 nan 0.000 0.249 18 L C 0.000 176.829 176.870 -0.069 0.000 1.165 18 L CA 0.000 54.833 54.840 -0.012 0.000 0.813 18 L CB 0.000 42.042 42.059 -0.028 0.000 0.961 19 Y N -1.240 118.942 120.300 -0.196 0.000 2.395 19 Y HA 0.315 4.865 4.550 -0.001 0.000 0.293 19 Y C 2.193 177.941 175.900 -0.254 0.000 1.123 19 Y CA 1.850 59.771 58.100 -0.298 0.000 1.227 19 Y CB -0.562 37.587 38.460 -0.519 0.000 1.012 19 Y HN 0.510 nan 8.280 nan 0.000 0.552 20 F N 0.082 120.036 119.950 0.008 0.000 2.446 20 F HA 0.270 4.797 4.527 -0.001 0.000 0.292 20 F C 1.667 177.474 175.800 0.012 0.000 1.096 20 F CA 0.880 58.885 58.000 0.008 0.000 1.438 20 F CB 0.294 39.297 39.000 0.006 0.000 1.107 20 F HN 0.344 nan 8.300 nan 0.000 0.546 21 Q N 1.394 121.302 119.800 0.180 0.000 2.394 21 Q HA 0.516 4.855 4.340 -0.001 0.000 0.261 21 Q C -0.246 175.800 176.000 0.077 0.000 1.023 21 Q CA -0.756 55.119 55.803 0.121 0.000 0.720 21 Q CB 0.412 29.216 28.738 0.111 0.000 1.241 21 Q HN 0.244 nan 8.270 nan 0.000 0.483 22 S N 1.462 117.204 115.700 0.071 0.000 2.652 22 S HA 0.812 5.282 4.470 -0.001 0.000 0.270 22 S C 0.617 175.254 174.600 0.062 0.000 1.243 22 S CA -0.508 57.725 58.200 0.054 0.000 0.999 22 S CB 0.722 63.951 63.200 0.048 0.000 0.973 22 S HN 1.147 nan 8.310 nan 0.000 0.544 23 M N 0.365 119.996 119.600 0.052 0.000 2.404 23 M HA 0.736 5.216 4.480 -0.001 0.000 0.338 23 M C -0.977 175.354 176.300 0.052 0.000 1.150 23 M CA -0.629 54.710 55.300 0.065 0.000 1.016 23 M CB 1.348 33.979 32.600 0.051 0.000 1.672 23 M HN 0.668 nan 8.290 nan 0.000 0.448 24 R N 1.316 121.858 120.500 0.070 0.000 2.739 24 R HA 0.600 4.940 4.340 -0.001 0.000 0.271 24 R C -1.501 174.803 176.300 0.007 0.000 1.010 24 R CA -0.978 55.117 56.100 -0.008 0.000 0.897 24 R CB 1.982 32.227 30.300 -0.091 0.000 1.236 24 R HN 0.781 nan 8.270 nan 0.000 0.466 25 L N 2.042 123.224 121.223 -0.068 0.000 2.499 25 L HA 0.139 4.479 4.340 -0.001 0.000 0.273 25 L C -0.914 175.880 176.870 -0.127 0.000 1.195 25 L CA 0.665 55.484 54.840 -0.035 0.000 0.882 25 L CB -0.070 41.950 42.059 -0.065 0.000 1.133 25 L HN 0.479 nan 8.230 nan 0.000 0.483 26 H N 3.924 122.982 119.070 -0.020 0.000 2.511 26 H HA 0.570 5.125 4.556 -0.001 0.000 0.328 26 H C -0.372 174.964 175.328 0.012 0.000 1.044 26 H CA -0.593 55.448 56.048 -0.012 0.000 1.212 26 H CB 0.856 30.619 29.762 0.002 0.000 1.428 26 H HN 0.526 nan 8.280 nan 0.000 0.483 27 R N 1.704 122.260 120.500 0.094 0.000 2.531 27 R HA 0.385 4.724 4.340 -0.001 0.000 0.273 27 R C 0.141 176.531 176.300 0.151 0.000 1.070 27 R CA -0.562 55.602 56.100 0.106 0.000 1.112 27 R CB 0.725 31.066 30.300 0.067 0.000 1.049 27 R HN 0.553 nan 8.270 nan 0.000 0.508 28 R N 0.460 121.072 120.500 0.187 0.000 2.582 28 R HA 0.388 4.728 4.340 -0.001 0.000 0.271 28 R C -0.673 175.741 176.300 0.189 0.000 1.078 28 R CA -0.425 55.791 56.100 0.193 0.000 1.127 28 R CB 0.860 31.262 30.300 0.169 0.000 1.038 28 R HN 0.213 nan 8.270 nan 0.000 0.500 29 V N 2.799 122.817 119.914 0.173 0.000 2.638 29 V HA 0.436 4.556 4.120 -0.001 0.000 0.306 29 V C -0.357 175.761 176.094 0.039 0.000 1.052 29 V CA -0.756 61.639 62.300 0.160 0.000 0.885 29 V CB 1.827 33.853 31.823 0.338 0.000 0.999 29 V HN 0.633 nan 8.190 nan 0.000 0.424 30 V N 2.368 122.292 119.914 0.017 0.000 3.074 30 V HA 0.727 4.847 4.120 -0.001 0.000 0.314 30 V C -0.692 175.394 176.094 -0.013 0.000 1.117 30 V CA -0.983 61.298 62.300 -0.030 0.000 1.014 30 V CB 2.295 34.101 31.823 -0.029 0.000 1.057 30 V HN 0.661 nan 8.190 nan 0.000 0.438 31 I N 2.346 122.911 120.570 -0.009 0.000 2.336 31 I HA 0.516 4.686 4.170 -0.001 0.000 0.292 31 I C 0.994 177.159 176.117 0.080 0.000 0.991 31 I CA 0.060 61.370 61.300 0.017 0.000 1.227 31 I CB 2.108 40.102 38.000 -0.010 0.000 1.366 31 I HN 0.977 nan 8.210 nan 0.000 0.466 32 T N 0.449 115.037 114.554 0.057 0.000 3.043 32 T HA 0.422 4.772 4.350 -0.001 0.000 0.272 32 T C 0.351 175.091 174.700 0.067 0.000 0.990 32 T CA -0.333 61.774 62.100 0.012 0.000 0.897 32 T CB 0.446 69.290 68.868 -0.040 0.000 1.111 32 T HN 0.739 nan 8.240 nan 0.000 0.529 33 G N 0.813 109.711 108.800 0.163 0.000 2.768 33 G HA2 0.609 4.569 3.960 -0.001 0.000 0.297 33 G HA3 0.609 4.569 3.960 -0.001 0.000 0.297 33 G C -1.733 173.206 174.900 0.065 0.000 1.430 33 G CA -0.796 44.391 45.100 0.145 0.000 1.030 33 G HN 0.358 nan 8.290 nan 0.000 0.553 34 I N 1.113 121.698 120.570 0.025 0.000 2.533 34 I HA 0.671 4.840 4.170 -0.001 0.000 0.290 34 I C 0.261 176.347 176.117 -0.052 0.000 1.056 34 I CA -0.903 60.334 61.300 -0.105 0.000 1.057 34 I CB 2.730 40.554 38.000 -0.293 0.000 1.240 34 I HN 0.664 nan 8.210 nan 0.000 0.423 35 G N 6.870 115.634 108.800 -0.060 0.000 2.666 35 G HA2 0.760 4.719 3.960 -0.001 0.000 0.303 35 G HA3 0.760 4.719 3.960 -0.001 0.000 0.303 35 G C -1.327 173.537 174.900 -0.059 0.000 1.412 35 G CA -0.367 44.713 45.100 -0.033 0.000 0.979 35 G HN 0.407 nan 8.290 nan 0.000 0.507 36 L N 2.305 123.510 121.223 -0.030 0.000 2.406 36 L HA 0.517 4.857 4.340 -0.001 0.000 0.272 36 L C -0.713 176.135 176.870 -0.038 0.000 0.980 36 L CA -1.083 53.731 54.840 -0.042 0.000 0.831 36 L CB 2.571 44.635 42.059 0.008 0.000 1.253 36 L HN 0.229 nan 8.230 nan 0.000 0.406 37 V N 2.009 121.856 119.914 -0.111 0.000 2.325 37 V HA 0.572 4.692 4.120 -0.001 0.000 0.280 37 V C 0.078 176.079 176.094 -0.154 0.000 1.016 37 V CA -0.285 61.910 62.300 -0.177 0.000 0.818 37 V CB 1.519 33.093 31.823 -0.415 0.000 1.019 37 V HN 0.910 nan 8.190 nan 0.000 0.434 38 T N 2.203 116.717 114.554 -0.067 0.000 2.841 38 T HA 0.538 4.888 4.350 -0.001 0.000 0.296 38 T C -2.591 172.112 174.700 0.006 0.000 1.166 38 T CA -2.004 60.077 62.100 -0.031 0.000 1.007 38 T CB 2.535 71.420 68.868 0.028 0.000 1.253 38 T HN 0.195 nan 8.240 nan 0.000 0.511 39 P HA 0.156 nan 4.420 nan 0.000 0.228 39 P C 1.275 178.603 177.300 0.048 0.000 1.151 39 P CA 0.547 63.667 63.100 0.034 0.000 0.770 39 P CB -0.009 31.696 31.700 0.008 0.000 0.786 40 L N -2.682 118.575 121.223 0.057 0.000 2.492 40 L HA 0.242 4.582 4.340 -0.001 0.000 0.223 40 L C 1.167 178.078 176.870 0.068 0.000 1.132 40 L CA 0.362 55.236 54.840 0.056 0.000 0.850 40 L CB -0.556 41.543 42.059 0.067 0.000 0.966 40 L HN 0.116 nan 8.230 nan 0.000 0.454 41 G N -0.766 108.080 108.800 0.078 0.000 2.343 41 G HA2 -0.020 3.940 3.960 -0.001 0.000 0.465 41 G HA3 -0.020 3.940 3.960 -0.001 0.000 0.465 41 G C -1.380 173.582 174.900 0.104 0.000 1.282 41 G CA -0.845 44.313 45.100 0.096 0.000 0.996 41 G HN -0.256 nan 8.290 nan 0.000 0.521 42 V N 0.732 120.729 119.914 0.139 0.000 2.513 42 V HA 0.900 5.020 4.120 -0.001 0.000 0.299 42 V C 0.912 177.102 176.094 0.161 0.000 1.035 42 V CA 0.820 63.216 62.300 0.160 0.000 0.889 42 V CB 0.766 32.748 31.823 0.267 0.000 0.988 42 V HN 2.735 nan 8.190 nan 0.000 0.440 43 G N 3.009 111.897 108.800 0.148 0.000 3.055 43 G HA2 -0.069 3.891 3.960 -0.001 0.000 0.685 43 G HA3 -0.069 3.891 3.960 -0.001 0.000 0.685 43 G C 0.083 175.067 174.900 0.141 0.000 1.212 43 G CA -0.197 44.996 45.100 0.155 0.000 0.822 43 G HN 0.683 nan 8.290 nan 0.000 0.610 44 T N 1.800 116.425 114.554 0.117 0.000 2.674 44 T HA -0.086 4.264 4.350 -0.001 0.000 0.265 44 T C 1.957 176.677 174.700 0.032 0.000 1.039 44 T CA 1.947 64.067 62.100 0.033 0.000 1.150 44 T CB -0.243 68.573 68.868 -0.087 0.000 0.864 44 T HN 0.673 nan 8.240 nan 0.000 0.427 45 H N 0.184 119.359 119.070 0.174 0.000 2.428 45 H HA 0.082 4.638 4.556 -0.000 0.000 0.296 45 H C 2.273 177.719 175.328 0.196 0.000 1.062 45 H CA 0.817 56.992 56.048 0.212 0.000 1.350 45 H CB -0.262 29.607 29.762 0.178 0.000 1.403 45 H HN 0.154 nan 8.280 nan 0.000 0.533 46 L N 0.736 122.108 121.223 0.249 0.000 2.027 46 L HA -0.111 4.229 4.340 -0.001 0.000 0.206 46 L C 2.363 179.314 176.870 0.134 0.000 1.074 46 L CA 1.070 56.009 54.840 0.165 0.000 0.745 46 L CB -0.590 41.553 42.059 0.139 0.000 0.898 46 L HN -0.070 nan 8.230 nan 0.000 0.433 47 V N -0.994 119.015 119.914 0.157 0.000 2.427 47 V HA -0.310 3.809 4.120 -0.001 0.000 0.248 47 V C 2.185 178.357 176.094 0.130 0.000 1.051 47 V CA 2.031 64.418 62.300 0.146 0.000 1.048 47 V CB -0.926 31.019 31.823 0.203 0.000 0.666 47 V HN 0.715 nan 8.190 nan 0.000 0.456 48 W N 1.170 122.456 121.300 -0.023 0.000 2.358 48 W HA -0.242 4.417 4.660 -0.001 0.000 0.303 48 W C 2.207 178.659 176.519 -0.111 0.000 1.208 48 W CA 2.121 59.408 57.345 -0.096 0.000 1.274 48 W CB -0.125 29.302 29.460 -0.056 0.000 1.138 48 W HN 0.423 nan 8.180 nan 0.000 0.515 49 D N -0.145 120.234 120.400 -0.036 0.000 2.097 49 D HA -0.187 4.452 4.640 -0.001 0.000 0.197 49 D C 2.321 178.506 176.300 -0.193 0.000 0.984 49 D CA 1.875 55.785 54.000 -0.150 0.000 0.826 49 D CB -0.161 40.629 40.800 -0.017 0.000 0.973 49 D HN 0.054 nan 8.370 nan 0.000 0.460 50 R N -0.384 120.046 120.500 -0.116 0.000 2.091 50 R HA -0.114 4.226 4.340 -0.001 0.000 0.238 50 R C 2.324 178.502 176.300 -0.203 0.000 1.136 50 R CA 0.986 57.014 56.100 -0.120 0.000 0.959 50 R CB -0.562 29.707 30.300 -0.052 0.000 0.856 50 R HN 0.250 nan 8.270 nan 0.000 0.437 51 L N 1.726 122.771 121.223 -0.297 0.000 1.976 51 L HA -0.144 4.195 4.340 -0.001 0.000 0.209 51 L C 2.259 178.837 176.870 -0.488 0.000 1.071 51 L CA 1.643 56.226 54.840 -0.429 0.000 0.746 51 L CB -0.421 41.234 42.059 -0.675 0.000 0.890 51 L HN 0.246 nan 8.230 nan 0.000 0.432 52 I N -3.021 117.143 120.570 -0.677 0.000 2.493 52 I HA 0.006 4.175 4.170 -0.001 0.000 0.254 52 I C 2.084 177.986 176.117 -0.358 0.000 1.160 52 I CA 1.309 62.239 61.300 -0.617 0.000 1.445 52 I CB -1.308 36.177 38.000 -0.859 0.000 1.086 52 I HN 0.232 nan 8.210 nan 0.000 0.433 53 G N 0.786 109.411 108.800 -0.291 0.000 2.776 53 G HA2 0.182 4.142 3.960 -0.001 0.000 0.209 53 G HA3 0.182 4.142 3.960 -0.001 0.000 0.209 53 G C 1.339 176.149 174.900 -0.150 0.000 1.145 53 G CA 0.391 45.380 45.100 -0.185 0.000 0.791 53 G HN 0.917 nan 8.290 nan 0.000 0.530 54 G N -0.406 108.291 108.800 -0.172 0.000 2.147 54 G HA2 -0.232 3.728 3.960 -0.001 0.000 0.244 54 G HA3 -0.232 3.728 3.960 -0.001 0.000 0.244 54 G C 0.130 174.969 174.900 -0.102 0.000 1.005 54 G CA 0.164 45.187 45.100 -0.129 0.000 0.713 54 G HN 0.465 nan 8.290 nan 0.000 0.515 55 E N 0.051 120.186 120.200 -0.109 0.000 2.349 55 E HA 0.595 4.945 4.350 -0.001 0.000 0.262 55 E C 0.164 176.723 176.600 -0.069 0.000 1.088 55 E CA 0.157 56.511 56.400 -0.077 0.000 0.899 55 E CB 1.727 31.387 29.700 -0.067 0.000 1.044 55 E HN 0.297 nan 8.360 nan 0.000 0.420 56 S N -0.821 114.852 115.700 -0.046 0.000 2.570 56 S HA 0.593 5.062 4.470 -0.001 0.000 0.286 56 S C 0.345 174.934 174.600 -0.017 0.000 1.099 56 S CA -0.225 57.953 58.200 -0.037 0.000 0.913 56 S CB 1.476 64.651 63.200 -0.042 0.000 1.085 56 S HN 0.483 nan 8.310 nan 0.000 0.480 57 G N 2.005 110.799 108.800 -0.009 0.000 3.126 57 G HA2 0.265 4.225 3.960 -0.001 0.000 0.224 57 G HA3 0.265 4.225 3.960 -0.001 0.000 0.224 57 G C 0.151 175.054 174.900 0.004 0.000 1.142 57 G CA -0.213 44.893 45.100 0.009 0.000 0.759 57 G HN 0.653 nan 8.290 nan 0.000 0.550 58 I N 2.011 122.570 120.570 -0.019 0.000 2.533 58 I HA 0.282 4.452 4.170 -0.001 0.000 0.284 58 I C 0.447 176.558 176.117 -0.010 0.000 1.109 58 I CA -0.288 60.992 61.300 -0.034 0.000 1.412 58 I CB 1.253 39.222 38.000 -0.051 0.000 1.396 58 I HN -0.028 nan 8.210 nan 0.000 0.543 59 V N 1.860 121.778 119.914 0.007 0.000 3.158 59 V HA 0.550 4.669 4.120 -0.001 0.000 0.311 59 V C -0.044 176.063 176.094 0.021 0.000 1.181 59 V CA -0.829 61.492 62.300 0.035 0.000 1.054 59 V CB 1.735 33.615 31.823 0.095 0.000 1.085 59 V HN 0.592 nan 8.190 nan 0.000 0.446 60 S N 1.460 117.173 115.700 0.022 0.000 2.549 60 S HA 0.497 4.966 4.470 -0.001 0.000 0.279 60 S C -0.052 174.566 174.600 0.031 0.000 1.321 60 S CA -0.350 57.856 58.200 0.009 0.000 1.054 60 S CB 0.044 63.248 63.200 0.006 0.000 0.899 60 S HN 0.593 nan 8.310 nan 0.000 0.497 61 L N 4.214 125.423 121.223 -0.023 0.000 2.418 61 L HA 0.244 4.584 4.340 -0.001 0.000 0.274 61 L C 0.193 177.067 176.870 0.007 0.000 1.135 61 L CA -0.430 54.365 54.840 -0.074 0.000 0.870 61 L CB 0.074 41.958 42.059 -0.292 0.000 1.154 61 L HN 0.420 nan 8.230 nan 0.000 0.462 62 V N 0.796 120.740 119.914 0.050 0.000 2.581 62 V HA 1.064 5.184 4.120 -0.001 0.000 0.303 62 V C 0.048 176.255 176.094 0.188 0.000 1.041 62 V CA -0.167 62.186 62.300 0.089 0.000 0.907 62 V CB 1.513 33.362 31.823 0.043 0.000 0.994 62 V HN 0.919 nan 8.190 nan 0.000 0.442 63 G N 1.860 110.769 108.800 0.182 0.000 2.542 63 G HA2 0.483 4.443 3.960 -0.001 0.000 0.391 63 G HA3 0.483 4.443 3.960 -0.001 0.000 0.391 63 G C -0.155 174.830 174.900 0.142 0.000 1.551 63 G CA 0.454 45.665 45.100 0.185 0.000 0.946 63 G HN 1.540 nan 8.290 nan 0.000 0.662 64 E N 1.212 121.446 120.200 0.057 0.000 2.265 64 E HA -0.109 4.241 4.350 -0.001 0.000 0.196 64 E C 2.003 178.597 176.600 -0.010 0.000 0.996 64 E CA 1.863 58.281 56.400 0.030 0.000 0.832 64 E CB -0.375 29.331 29.700 0.011 0.000 0.756 64 E HN 0.941 nan 8.360 nan 0.000 0.491 65 E N -0.854 119.291 120.200 -0.092 0.000 2.347 65 E HA -0.142 4.207 4.350 -0.001 0.000 0.196 65 E C 0.901 177.313 176.600 -0.314 0.000 1.008 65 E CA 0.847 57.106 56.400 -0.235 0.000 0.852 65 E CB -0.436 29.052 29.700 -0.353 0.000 0.783 65 E HN 0.781 nan 8.360 nan 0.000 0.505 66 Y N 0.516 120.837 120.300 0.036 0.000 2.457 66 Y HA 0.192 4.742 4.550 -0.000 0.000 0.263 66 Y C 2.648 178.564 175.900 0.027 0.000 1.164 66 Y CA 0.515 58.638 58.100 0.038 0.000 1.274 66 Y CB 0.310 38.800 38.460 0.050 0.000 1.097 66 Y HN 0.156 nan 8.280 nan 0.000 0.523 67 K N 0.433 120.905 120.400 0.121 0.000 2.209 67 K HA -0.165 4.154 4.320 -0.001 0.000 0.204 67 K C 1.922 178.560 176.600 0.063 0.000 1.048 67 K CA 1.822 58.158 56.287 0.082 0.000 0.940 67 K CB -1.166 31.363 32.500 0.048 0.000 0.729 67 K HN 0.464 nan 8.250 nan 0.000 0.451 68 S N -0.259 115.475 115.700 0.056 0.000 2.461 68 S HA 0.175 4.645 4.470 -0.001 0.000 0.228 68 S C 0.874 175.504 174.600 0.051 0.000 1.005 68 S CA 0.006 58.231 58.200 0.042 0.000 0.942 68 S CB -0.397 62.819 63.200 0.027 0.000 0.776 68 S HN 0.482 nan 8.310 nan 0.000 0.514 69 I N 3.030 123.646 120.570 0.077 0.000 2.385 69 I HA 0.271 4.441 4.170 -0.001 0.000 0.294 69 I C -1.423 174.726 176.117 0.053 0.000 0.988 69 I CA -2.428 58.916 61.300 0.075 0.000 1.265 69 I CB 1.572 39.644 38.000 0.120 0.000 1.388 69 I HN -0.077 nan 8.210 nan 0.000 0.480 70 P HA -0.052 nan 4.420 nan 0.000 0.233 70 P C 0.360 177.659 177.300 -0.002 0.000 1.167 70 P CA 0.400 63.508 63.100 0.014 0.000 0.770 70 P CB 0.035 31.738 31.700 0.006 0.000 0.837 71 C N 1.336 120.634 119.300 -0.004 0.000 2.463 71 C HA 0.440 4.900 4.460 -0.001 0.000 0.380 71 C C 1.606 176.575 174.990 -0.035 0.000 1.264 71 C CA 0.323 59.318 59.018 -0.037 0.000 2.161 71 C CB -0.019 27.686 27.740 -0.059 0.000 2.515 71 C HN 0.361 nan 8.230 nan 0.000 0.565 72 S N 2.776 118.442 115.700 -0.057 0.000 3.009 72 S HA 0.334 4.803 4.470 -0.001 0.000 0.254 72 S C -0.403 174.148 174.600 -0.082 0.000 1.004 72 S CA 0.063 58.228 58.200 -0.058 0.000 1.119 72 S CB -0.482 62.703 63.200 -0.025 0.000 1.075 72 S HN 1.348 nan 8.310 nan 0.000 0.618 73 V N -2.051 117.799 119.914 -0.107 0.000 3.007 73 V HA 1.062 5.181 4.120 -0.001 0.000 0.311 73 V C -0.511 175.482 176.094 -0.167 0.000 1.120 73 V CA -0.429 61.805 62.300 -0.110 0.000 0.980 73 V CB 1.096 32.867 31.823 -0.086 0.000 1.033 73 V HN 0.813 nan 8.190 nan 0.000 0.429 74 A N 1.896 124.599 122.820 -0.195 0.000 2.586 74 A HA 1.009 5.328 4.320 -0.001 0.000 0.290 74 A C -0.594 176.794 177.584 -0.327 0.000 1.086 74 A CA -0.401 51.437 52.037 -0.332 0.000 0.665 74 A CB 1.348 19.994 19.000 -0.589 0.000 1.279 74 A HN 2.563 nan 8.150 nan 0.000 0.423 75 A N 0.663 123.268 122.820 -0.358 0.000 2.293 75 A HA 0.689 5.008 4.320 -0.001 0.000 0.312 75 A C -1.241 176.172 177.584 -0.286 0.000 1.309 75 A CA -0.242 51.661 52.037 -0.224 0.000 0.839 75 A CB -0.167 18.764 19.000 -0.115 0.000 1.155 75 A HN 0.721 nan 8.150 nan 0.000 0.501 76 Y N 1.286 121.576 120.300 -0.016 0.000 2.352 76 Y HA 0.372 4.921 4.550 -0.001 0.000 0.326 76 Y C 0.723 176.625 175.900 0.003 0.000 1.166 76 Y CA -0.617 57.481 58.100 -0.003 0.000 1.182 76 Y CB 1.422 39.888 38.460 0.009 0.000 1.216 76 Y HN 0.367 nan 8.280 nan 0.000 0.474 77 V N 5.937 125.945 119.914 0.157 0.000 2.485 77 V HA 0.035 4.155 4.120 -0.001 0.000 0.287 77 V C -1.913 174.274 176.094 0.154 0.000 1.022 77 V CA -1.428 60.932 62.300 0.100 0.000 1.067 77 V CB -0.056 31.774 31.823 0.012 0.000 0.967 77 V HN 0.546 nan 8.190 nan 0.000 0.479 78 P HA 0.314 nan 4.420 nan 0.000 0.276 78 P C -0.603 176.797 177.300 0.168 0.000 1.235 78 P CA -0.273 62.905 63.100 0.130 0.000 0.772 78 P CB 0.713 32.475 31.700 0.104 0.000 0.871 79 R N 1.571 122.156 120.500 0.141 0.000 2.589 79 R HA 0.794 5.134 4.340 -0.001 0.000 0.293 79 R C 0.342 176.695 176.300 0.088 0.000 0.963 79 R CA -0.383 55.810 56.100 0.155 0.000 0.905 79 R CB 1.969 32.357 30.300 0.147 0.000 1.144 79 R HN 0.823 nan 8.270 nan 0.000 0.459 80 G N -0.287 108.554 108.800 0.068 0.000 2.362 80 G HA2 -0.091 3.868 3.960 -0.001 0.000 0.288 80 G HA3 -0.091 3.868 3.960 -0.001 0.000 0.288 80 G C -0.295 174.617 174.900 0.018 0.000 1.305 80 G CA -0.229 44.889 45.100 0.031 0.000 0.910 80 G HN 0.489 nan 8.290 nan 0.000 0.518 81 S N -0.873 114.831 115.700 0.006 0.000 2.557 81 S HA 0.384 4.854 4.470 -0.001 0.000 0.223 81 S C 0.290 174.898 174.600 0.012 0.000 0.969 81 S CA 0.789 58.986 58.200 -0.004 0.000 0.927 81 S CB 0.396 63.584 63.200 -0.020 0.000 0.806 81 S HN 0.598 nan 8.310 nan 0.000 0.489 82 D N 2.223 122.639 120.400 0.026 0.000 2.433 82 D HA 0.221 4.861 4.640 -0.001 0.000 0.255 82 D C -0.075 176.253 176.300 0.047 0.000 1.226 82 D CA -0.486 53.533 54.000 0.031 0.000 1.015 82 D CB 0.575 41.393 40.800 0.030 0.000 1.091 82 D HN 0.312 nan 8.370 nan 0.000 0.527 83 E N -0.414 119.813 120.200 0.045 0.000 2.585 83 E HA 0.172 4.522 4.350 -0.001 0.000 0.252 83 E C 0.574 177.218 176.600 0.073 0.000 0.981 83 E CA 0.687 57.121 56.400 0.056 0.000 0.943 83 E CB -0.169 29.558 29.700 0.046 0.000 0.923 83 E HN 0.652 nan 8.360 nan 0.000 0.486 84 G N 3.496 112.353 108.800 0.095 0.000 2.155 84 G HA2 -0.314 3.645 3.960 -0.001 0.000 0.257 84 G HA3 -0.314 3.645 3.960 -0.001 0.000 0.257 84 G C 0.028 175.011 174.900 0.138 0.000 0.983 84 G CA 0.460 45.630 45.100 0.115 0.000 0.676 84 G HN 0.574 nan 8.290 nan 0.000 0.528 85 Q N -1.244 118.641 119.800 0.141 0.000 2.215 85 Q HA 0.655 4.994 4.340 -0.001 0.000 0.256 85 Q C -0.769 175.385 176.000 0.255 0.000 0.972 85 Q CA -1.002 54.902 55.803 0.168 0.000 0.889 85 Q CB 1.555 30.362 28.738 0.115 0.000 1.281 85 Q HN 0.230 nan 8.270 nan 0.000 0.456 86 F N 2.502 122.518 119.950 0.109 0.000 2.391 86 F HA 0.247 4.774 4.527 -0.001 0.000 0.359 86 F C -0.430 175.456 175.800 0.144 0.000 1.122 86 F CA -0.773 57.318 58.000 0.152 0.000 1.120 86 F CB 0.529 39.605 39.000 0.126 0.000 1.142 86 F HN 0.364 nan 8.300 nan 0.000 0.483 87 N N 5.356 123.874 118.700 -0.302 0.000 2.558 87 N HA 0.131 4.871 4.740 -0.001 0.000 0.242 87 N C 0.754 175.945 175.510 -0.531 0.000 0.979 87 N CA -0.110 52.737 53.050 -0.339 0.000 0.931 87 N CB 0.532 38.908 38.487 -0.186 0.000 1.122 87 N HN 0.755 nan 8.380 nan 0.000 0.508 88 E N 1.509 121.353 120.200 -0.594 0.000 2.147 88 E HA -0.244 4.105 4.350 -0.001 0.000 0.199 88 E C 0.548 177.082 176.600 -0.110 0.000 1.005 88 E CA 1.349 57.531 56.400 -0.363 0.000 0.810 88 E CB 0.251 29.880 29.700 -0.118 0.000 0.736 88 E HN 0.718 nan 8.360 nan 0.000 0.460 89 Q N 0.063 119.770 119.800 -0.156 0.000 2.472 89 Q HA -0.014 4.326 4.340 -0.001 0.000 0.208 89 Q C 1.341 177.224 176.000 -0.196 0.000 0.958 89 Q CA 0.207 55.937 55.803 -0.121 0.000 0.932 89 Q CB 0.087 28.765 28.738 -0.099 0.000 1.007 89 Q HN 0.218 nan 8.270 nan 0.000 0.508 90 N N 0.162 118.643 118.700 -0.364 0.000 2.381 90 N HA -0.085 4.655 4.740 -0.001 0.000 0.182 90 N C 0.769 175.856 175.510 -0.704 0.000 1.025 90 N CA 1.137 53.816 53.050 -0.617 0.000 0.888 90 N CB 0.048 37.960 38.487 -0.959 0.000 0.965 90 N HN 0.300 nan 8.380 nan 0.000 0.438 91 F N -0.904 119.022 119.950 -0.040 0.000 2.711 91 F HA 0.246 4.772 4.527 -0.001 0.000 0.296 91 F C 0.671 176.474 175.800 0.005 0.000 1.096 91 F CA -0.443 57.569 58.000 0.020 0.000 1.280 91 F CB 0.400 39.449 39.000 0.081 0.000 1.060 91 F HN -0.244 nan 8.300 nan 0.000 0.608 92 V N -1.606 118.395 119.914 0.144 0.000 2.925 92 V HA 0.716 4.836 4.120 -0.001 0.000 0.311 92 V C -0.094 176.008 176.094 0.013 0.000 1.104 92 V CA -1.244 61.100 62.300 0.072 0.000 0.954 92 V CB 1.236 33.109 31.823 0.083 0.000 1.022 92 V HN 0.110 nan 8.190 nan 0.000 0.427 93 S N 2.139 117.834 115.700 -0.008 0.000 2.632 93 S HA 0.578 5.048 4.470 -0.001 0.000 0.267 93 S C 1.307 175.893 174.600 -0.024 0.000 1.276 93 S CA 0.238 58.424 58.200 -0.023 0.000 0.998 93 S CB 1.461 64.644 63.200 -0.028 0.000 0.953 93 S HN 1.776 nan 8.310 nan 0.000 0.547 94 K N 1.198 121.583 120.400 -0.025 0.000 2.209 94 K HA -0.034 4.286 4.320 -0.001 0.000 0.204 94 K C 2.189 178.772 176.600 -0.029 0.000 1.048 94 K CA 2.047 58.321 56.287 -0.022 0.000 0.940 94 K CB -1.536 30.953 32.500 -0.018 0.000 0.729 94 K HN 0.734 nan 8.250 nan 0.000 0.451 95 S N 1.536 117.213 115.700 -0.037 0.000 2.362 95 S HA -0.105 4.364 4.470 -0.001 0.000 0.221 95 S C 1.689 176.227 174.600 -0.102 0.000 1.032 95 S CA 0.824 58.991 58.200 -0.055 0.000 0.973 95 S CB -0.145 63.029 63.200 -0.044 0.000 0.849 95 S HN 0.635 nan 8.310 nan 0.000 0.465 96 D N 1.999 122.345 120.400 -0.090 0.000 2.133 96 D HA -0.074 4.566 4.640 -0.001 0.000 0.195 96 D C 1.768 178.002 176.300 -0.110 0.000 0.997 96 D CA 0.875 54.808 54.000 -0.112 0.000 0.840 96 D CB -0.492 40.270 40.800 -0.063 0.000 0.947 96 D HN 0.349 nan 8.370 nan 0.000 0.452 97 I N 0.829 121.363 120.570 -0.060 0.000 2.399 97 I HA -0.299 3.871 4.170 -0.001 0.000 0.254 97 I C 2.703 178.788 176.117 -0.052 0.000 1.146 97 I CA 1.544 62.825 61.300 -0.032 0.000 1.412 97 I CB -0.311 37.686 38.000 -0.004 0.000 1.076 97 I HN 0.071 nan 8.210 nan 0.000 0.432 98 K N 0.487 120.830 120.400 -0.096 0.000 2.148 98 K HA -0.129 4.191 4.320 -0.001 0.000 0.204 98 K C 2.008 178.494 176.600 -0.190 0.000 1.050 98 K CA 1.697 57.922 56.287 -0.103 0.000 0.942 98 K CB -1.002 31.438 32.500 -0.100 0.000 0.724 98 K HN 0.568 nan 8.250 nan 0.000 0.446 99 S N -0.877 114.597 115.700 -0.376 0.000 2.556 99 S HA 0.361 4.830 4.470 -0.001 0.000 0.216 99 S C 0.555 175.062 174.600 -0.154 0.000 0.970 99 S CA -0.465 57.447 58.200 -0.480 0.000 0.912 99 S CB -0.330 62.323 63.200 -0.913 0.000 0.790 99 S HN 0.470 nan 8.310 nan 0.000 0.504 100 M N 2.291 121.841 119.600 -0.083 0.000 2.465 100 M HA 0.445 4.924 4.480 -0.001 0.000 0.316 100 M C -0.009 176.303 176.300 0.021 0.000 1.121 100 M CA -0.613 54.676 55.300 -0.019 0.000 0.934 100 M CB 2.495 35.087 32.600 -0.013 0.000 1.692 100 M HN 0.257 nan 8.290 nan 0.000 0.444 101 S N 0.380 116.101 115.700 0.035 0.000 2.608 101 S HA 0.177 4.647 4.470 -0.001 0.000 0.261 101 S C 1.093 175.726 174.600 0.056 0.000 1.314 101 S CA -0.106 58.124 58.200 0.050 0.000 0.992 101 S CB 1.365 64.592 63.200 0.045 0.000 0.935 101 S HN 0.770 nan 8.310 nan 0.000 0.564 102 S N 1.468 117.207 115.700 0.066 0.000 2.356 102 S HA 0.012 4.481 4.470 -0.001 0.000 0.223 102 S C -0.904 173.726 174.600 0.050 0.000 1.032 102 S CA 1.355 59.602 58.200 0.078 0.000 1.005 102 S CB -1.681 61.571 63.200 0.086 0.000 0.867 102 S HN 0.719 nan 8.310 nan 0.000 0.449 103 P HA -0.015 nan 4.420 nan 0.000 0.218 103 P C 1.306 178.605 177.300 -0.002 0.000 1.148 103 P CA 1.292 64.391 63.100 -0.001 0.000 0.822 103 P CB -0.349 31.352 31.700 0.002 0.000 0.784 104 T N -0.618 113.947 114.554 0.018 0.000 2.812 104 T HA -0.047 4.303 4.350 -0.001 0.000 0.264 104 T C 1.751 176.473 174.700 0.036 0.000 1.042 104 T CA 0.959 63.072 62.100 0.021 0.000 1.140 104 T CB -0.796 68.085 68.868 0.022 0.000 0.870 104 T HN 0.063 nan 8.240 nan 0.000 0.445 105 I N 0.917 121.527 120.570 0.066 0.000 2.179 105 I HA -0.188 3.982 4.170 -0.001 0.000 0.242 105 I C 2.511 178.707 176.117 0.131 0.000 1.088 105 I CA 1.376 62.754 61.300 0.129 0.000 1.357 105 I CB -0.378 37.736 38.000 0.190 0.000 1.051 105 I HN 0.238 nan 8.210 nan 0.000 0.409 106 M N 0.170 119.779 119.600 0.016 0.000 2.159 106 M HA -0.187 4.293 4.480 -0.001 0.000 0.263 106 M C 2.537 178.735 176.300 -0.169 0.000 1.063 106 M CA 1.882 57.052 55.300 -0.216 0.000 1.110 106 M CB -0.523 31.890 32.600 -0.312 0.000 1.374 106 M HN 0.335 nan 8.290 nan 0.000 0.411 107 A N 0.625 123.396 122.820 -0.081 0.000 1.930 107 A HA -0.117 4.202 4.320 -0.001 0.000 0.217 107 A C 2.059 179.627 177.584 -0.026 0.000 1.175 107 A CA 1.356 53.360 52.037 -0.055 0.000 0.627 107 A CB -0.806 18.184 19.000 -0.016 0.000 0.815 107 A HN 0.441 nan 8.150 nan 0.000 0.443 108 I N -0.331 120.243 120.570 0.008 0.000 2.226 108 I HA -0.202 3.968 4.170 -0.001 0.000 0.245 108 I C 2.719 178.812 176.117 -0.039 0.000 1.100 108 I CA 1.111 62.454 61.300 0.071 0.000 1.374 108 I CB -0.610 37.448 38.000 0.097 0.000 1.057 108 I HN 0.398 nan 8.210 nan 0.000 0.413 109 G N 0.503 109.129 108.800 -0.290 0.000 2.459 109 G HA2 -0.284 3.675 3.960 -0.001 0.000 0.217 109 G HA3 -0.284 3.675 3.960 -0.001 0.000 0.217 109 G C 1.850 176.484 174.900 -0.443 0.000 1.183 109 G CA 0.903 45.451 45.100 -0.919 0.000 0.776 109 G HN 0.495 nan 8.290 nan 0.000 0.552 110 A N 1.022 123.695 122.820 -0.244 0.000 1.933 110 A HA 0.263 4.582 4.320 -0.001 0.000 0.218 110 A C 2.808 180.345 177.584 -0.080 0.000 1.175 110 A CA 2.300 54.254 52.037 -0.138 0.000 0.628 110 A CB -0.743 18.176 19.000 -0.134 0.000 0.814 110 A HN 0.819 nan 8.150 nan 0.000 0.444 111 A N -0.306 122.479 122.820 -0.058 0.000 1.877 111 A HA -0.186 4.134 4.320 -0.001 0.000 0.216 111 A C 2.018 179.537 177.584 -0.108 0.000 1.186 111 A CA 1.840 53.848 52.037 -0.048 0.000 0.620 111 A CB -0.604 18.415 19.000 0.031 0.000 0.822 111 A HN 0.652 nan 8.150 nan 0.000 0.443 112 E N -0.190 119.992 120.200 -0.030 0.000 2.085 112 E HA -0.180 4.169 4.350 -0.001 0.000 0.194 112 E C 1.897 178.547 176.600 0.082 0.000 0.994 112 E CA 1.271 57.692 56.400 0.034 0.000 0.801 112 E CB -0.223 29.679 29.700 0.336 0.000 0.743 112 E HN 0.635 nan 8.360 nan 0.000 0.453 113 L N 0.024 121.301 121.223 0.089 0.000 2.093 113 L HA -0.095 4.244 4.340 -0.001 0.000 0.208 113 L C 2.619 179.531 176.870 0.069 0.000 1.085 113 L CA 0.854 55.763 54.840 0.115 0.000 0.755 113 L CB -0.424 41.704 42.059 0.115 0.000 0.904 113 L HN 0.214 nan 8.230 nan 0.000 0.435 114 A N -0.012 122.817 122.820 0.016 0.000 1.898 114 A HA -0.205 4.115 4.320 -0.001 0.000 0.216 114 A C 2.303 179.896 177.584 0.015 0.000 1.181 114 A CA 1.628 53.669 52.037 0.006 0.000 0.620 114 A CB -0.419 18.566 19.000 -0.026 0.000 0.819 114 A HN 0.320 nan 8.150 nan 0.000 0.442 115 M N -0.776 118.811 119.600 -0.021 0.000 2.132 115 M HA -0.118 4.361 4.480 -0.001 0.000 0.263 115 M C 2.276 178.568 176.300 -0.013 0.000 1.065 115 M CA 1.846 57.120 55.300 -0.043 0.000 1.122 115 M CB -0.319 32.191 32.600 -0.149 0.000 1.365 115 M HN 0.475 nan 8.290 nan 0.000 0.411 116 K N 0.632 121.107 120.400 0.125 0.000 2.063 116 K HA -0.253 4.067 4.320 -0.001 0.000 0.208 116 K C 1.388 178.071 176.600 0.137 0.000 1.048 116 K CA 2.132 58.548 56.287 0.214 0.000 0.928 116 K CB -0.153 32.469 32.500 0.203 0.000 0.713 116 K HN 0.161 nan 8.250 nan 0.000 0.442 117 D N -0.406 120.059 120.400 0.109 0.000 2.264 117 D HA -0.076 4.564 4.640 -0.001 0.000 0.208 117 D C 1.696 178.039 176.300 0.072 0.000 0.966 117 D CA 0.847 54.913 54.000 0.110 0.000 0.864 117 D CB 0.107 40.985 40.800 0.130 0.000 0.933 117 D HN 0.162 nan 8.370 nan 0.000 0.499 118 S N -1.527 114.204 115.700 0.051 0.000 2.503 118 S HA 0.211 4.681 4.470 -0.001 0.000 0.217 118 S C 1.453 176.078 174.600 0.042 0.000 0.999 118 S CA 0.898 59.118 58.200 0.033 0.000 0.914 118 S CB -0.129 63.099 63.200 0.048 0.000 0.782 118 S HN 0.423 nan 8.310 nan 0.000 0.520 119 G N 0.992 109.799 108.800 0.012 0.000 2.198 119 G HA2 -0.252 3.708 3.960 -0.001 0.000 0.260 119 G HA3 -0.252 3.708 3.960 -0.001 0.000 0.260 119 G C -0.269 174.544 174.900 -0.144 0.000 1.025 119 G CA 0.249 45.344 45.100 -0.008 0.000 0.769 119 G HN 0.605 nan 8.290 nan 0.000 0.507 120 W N 1.639 122.598 121.300 -0.568 0.000 2.278 120 W HA 0.621 5.280 4.660 -0.001 0.000 0.317 120 W C -0.666 175.497 176.519 -0.593 0.000 1.030 120 W CA -0.715 56.387 57.345 -0.406 0.000 1.334 120 W CB 0.739 30.089 29.460 -0.183 0.000 1.215 120 W HN 0.274 nan 8.180 nan 0.000 0.405 121 H N 6.186 124.921 119.070 -0.557 0.000 2.380 121 H HA 0.191 4.746 4.556 -0.001 0.000 0.231 121 H C -2.175 172.814 175.328 -0.566 0.000 1.415 121 H CA -1.690 54.100 56.048 -0.429 0.000 1.433 121 H CB 0.430 30.082 29.762 -0.184 0.000 1.544 121 H HN 0.194 nan 8.280 nan 0.000 0.503 122 P HA -0.024 nan 4.420 nan 0.000 0.258 122 P C 0.586 177.759 177.300 -0.212 0.000 1.187 122 P CA 0.388 63.160 63.100 -0.546 0.000 0.767 122 P CB 1.316 32.800 31.700 -0.360 0.000 0.770 123 Q N 1.739 121.441 119.800 -0.164 0.000 2.471 123 Q HA 0.041 4.380 4.340 -0.001 0.000 0.241 123 Q C 0.662 176.639 176.000 -0.038 0.000 0.886 123 Q CA 0.437 56.197 55.803 -0.072 0.000 0.953 123 Q CB 0.052 28.755 28.738 -0.059 0.000 1.108 123 Q HN 0.590 nan 8.270 nan 0.000 0.575 124 S N 0.003 115.684 115.700 -0.032 0.000 2.580 124 S HA 0.101 4.570 4.470 -0.001 0.000 0.274 124 S C 1.012 175.621 174.600 0.015 0.000 1.329 124 S CA -0.223 57.977 58.200 0.000 0.000 1.036 124 S CB 1.403 64.613 63.200 0.016 0.000 0.919 124 S HN 0.218 nan 8.310 nan 0.000 0.515 125 E N 3.019 123.231 120.200 0.020 0.000 2.114 125 E HA -0.219 4.131 4.350 -0.001 0.000 0.199 125 E C 2.036 178.663 176.600 0.045 0.000 1.008 125 E CA 2.177 58.594 56.400 0.028 0.000 0.810 125 E CB -0.871 28.842 29.700 0.023 0.000 0.739 125 E HN 0.876 nan 8.360 nan 0.000 0.456 126 A N 0.452 123.305 122.820 0.054 0.000 1.933 126 A HA -0.185 4.135 4.320 -0.001 0.000 0.218 126 A C 1.865 179.522 177.584 0.122 0.000 1.175 126 A CA 1.869 53.953 52.037 0.077 0.000 0.628 126 A CB -0.508 18.538 19.000 0.078 0.000 0.814 126 A HN 0.285 nan 8.150 nan 0.000 0.444 127 D N -0.699 119.785 120.400 0.140 0.000 2.234 127 D HA -0.068 4.572 4.640 -0.001 0.000 0.205 127 D C 2.160 178.580 176.300 0.201 0.000 0.962 127 D CA 0.888 55.035 54.000 0.245 0.000 0.855 127 D CB -0.276 40.630 40.800 0.177 0.000 0.951 127 D HN 0.611 nan 8.370 nan 0.000 0.500 128 Q N 0.348 120.206 119.800 0.097 0.000 2.046 128 Q HA -0.068 4.271 4.340 -0.001 0.000 0.200 128 Q C 2.381 178.435 176.000 0.091 0.000 0.975 128 Q CA 0.834 56.686 55.803 0.081 0.000 0.836 128 Q CB 0.057 28.821 28.738 0.044 0.000 0.896 128 Q HN 0.120 nan 8.270 nan 0.000 0.428 129 V N 1.170 121.128 119.914 0.074 0.000 2.392 129 V HA -0.258 3.862 4.120 -0.001 0.000 0.249 129 V C 2.175 178.304 176.094 0.058 0.000 1.059 129 V CA 1.754 64.087 62.300 0.054 0.000 1.051 129 V CB -0.862 30.986 31.823 0.042 0.000 0.658 129 V HN 0.376 nan 8.190 nan 0.000 0.455 130 A N -0.832 122.044 122.820 0.095 0.000 2.168 130 A HA -0.022 4.298 4.320 -0.001 0.000 0.215 130 A C 1.283 178.903 177.584 0.060 0.000 1.152 130 A CA 1.188 53.269 52.037 0.074 0.000 0.716 130 A CB -0.365 18.703 19.000 0.113 0.000 0.794 130 A HN 0.513 nan 8.150 nan 0.000 0.465 131 T N 0.051 114.683 114.554 0.128 0.000 2.786 131 T HA 0.577 4.927 4.350 -0.001 0.000 0.283 131 T C 0.226 174.980 174.700 0.090 0.000 0.992 131 T CA 0.001 62.189 62.100 0.146 0.000 0.954 131 T CB 1.581 70.650 68.868 0.336 0.000 0.934 131 T HN 0.356 nan 8.240 nan 0.000 0.440 132 G N 1.106 109.933 108.800 0.046 0.000 2.932 132 G HA2 0.723 4.683 3.960 -0.001 0.000 0.283 132 G HA3 0.723 4.683 3.960 -0.001 0.000 0.283 132 G C -1.308 173.624 174.900 0.054 0.000 1.336 132 G CA -0.783 44.331 45.100 0.023 0.000 1.056 132 G HN 0.672 nan 8.290 nan 0.000 0.522 133 V N -0.264 119.683 119.914 0.055 0.000 2.577 133 V HA 0.701 4.821 4.120 -0.001 0.000 0.303 133 V C -0.150 176.007 176.094 0.105 0.000 1.042 133 V CA -0.715 61.633 62.300 0.080 0.000 0.872 133 V CB 1.503 33.377 31.823 0.085 0.000 0.998 133 V HN 1.201 nan 8.190 nan 0.000 0.423 134 A N 6.375 129.269 122.820 0.124 0.000 2.709 134 A HA 0.842 5.162 4.320 -0.001 0.000 0.332 134 A C -0.775 176.881 177.584 0.121 0.000 1.241 134 A CA -0.206 51.940 52.037 0.182 0.000 0.782 134 A CB 0.109 19.253 19.000 0.240 0.000 1.109 134 A HN 0.757 nan 8.150 nan 0.000 0.472 135 I N 2.264 122.891 120.570 0.095 0.000 2.410 135 I HA 0.504 4.674 4.170 -0.001 0.000 0.286 135 I C 0.756 176.900 176.117 0.044 0.000 1.009 135 I CA -0.483 60.849 61.300 0.054 0.000 1.111 135 I CB 2.193 40.215 38.000 0.037 0.000 1.262 135 I HN 0.603 nan 8.210 nan 0.000 0.443 136 G N 5.848 114.671 108.800 0.038 0.000 2.491 136 G HA2 0.782 4.742 3.960 -0.001 0.000 0.327 136 G HA3 0.782 4.742 3.960 -0.001 0.000 0.327 136 G C -1.041 173.865 174.900 0.010 0.000 1.189 136 G CA -0.611 44.507 45.100 0.029 0.000 0.956 136 G HN 0.501 nan 8.290 nan 0.000 0.491 137 M N 0.415 120.020 119.600 0.009 0.000 2.378 137 M HA 0.433 4.912 4.480 -0.001 0.000 0.289 137 M C 0.948 177.254 176.300 0.010 0.000 1.136 137 M CA -0.647 54.654 55.300 0.002 0.000 0.917 137 M CB 2.190 34.791 32.600 0.001 0.000 1.669 137 M HN 0.658 nan 8.290 nan 0.000 0.461 138 G N 3.621 112.425 108.800 0.006 0.000 2.426 138 G HA2 0.147 4.107 3.960 -0.001 0.000 0.214 138 G HA3 0.147 4.107 3.960 -0.001 0.000 0.214 138 G C 0.119 175.038 174.900 0.032 0.000 1.156 138 G CA 0.172 45.281 45.100 0.015 0.000 0.802 138 G HN 0.552 nan 8.290 nan 0.000 0.534 139 M N 0.979 120.599 119.600 0.034 0.000 2.378 139 M HA 0.471 4.950 4.480 -0.001 0.000 0.289 139 M C -0.466 175.855 176.300 0.036 0.000 1.136 139 M CA -1.055 54.272 55.300 0.045 0.000 0.917 139 M CB 2.407 35.053 32.600 0.077 0.000 1.669 139 M HN 0.189 nan 8.290 nan 0.000 0.461 140 I N 1.452 122.039 120.570 0.028 0.000 3.060 140 I HA 0.452 4.622 4.170 -0.001 0.000 0.285 140 I C -2.325 173.818 176.117 0.045 0.000 1.190 140 I CA -1.683 59.632 61.300 0.026 0.000 1.363 140 I CB 0.018 38.024 38.000 0.009 0.000 1.396 140 I HN 0.449 nan 8.210 nan 0.000 0.607 141 P HA 0.265 nan 4.420 nan 0.000 0.287 141 P C 0.453 177.802 177.300 0.081 0.000 1.307 141 P CA -0.278 62.864 63.100 0.069 0.000 0.777 141 P CB 1.019 32.762 31.700 0.072 0.000 0.883 142 L N 1.812 123.082 121.223 0.078 0.000 2.201 142 L HA -0.163 4.177 4.340 -0.001 0.000 0.212 142 L C 1.710 178.629 176.870 0.082 0.000 1.105 142 L CA 1.524 56.410 54.840 0.076 0.000 0.775 142 L CB -0.575 41.523 42.059 0.065 0.000 0.913 142 L HN 0.285 nan 8.230 nan 0.000 0.440 143 E N -0.267 119.982 120.200 0.081 0.000 2.274 143 E HA -0.105 4.245 4.350 -0.001 0.000 0.194 143 E C 2.224 178.875 176.600 0.086 0.000 0.996 143 E CA 0.538 56.982 56.400 0.073 0.000 0.840 143 E CB -0.129 29.611 29.700 0.067 0.000 0.772 143 E HN 0.195 nan 8.360 nan 0.000 0.491 144 V N -0.077 119.906 119.914 0.116 0.000 2.427 144 V HA -0.204 3.916 4.120 -0.001 0.000 0.248 144 V C 2.111 178.336 176.094 0.218 0.000 1.051 144 V CA 1.194 63.593 62.300 0.165 0.000 1.048 144 V CB -0.402 31.541 31.823 0.199 0.000 0.666 144 V HN 0.135 nan 8.190 nan 0.000 0.456 145 V N 0.986 121.033 119.914 0.221 0.000 2.283 145 V HA -0.197 3.923 4.120 -0.001 0.000 0.243 145 V C 2.738 178.891 176.094 0.099 0.000 1.039 145 V CA 2.277 64.722 62.300 0.243 0.000 1.016 145 V CB -0.733 31.205 31.823 0.192 0.000 0.650 145 V HN 0.745 nan 8.190 nan 0.000 0.449 146 S N 0.725 116.469 115.700 0.073 0.000 2.383 146 S HA -0.161 4.309 4.470 -0.001 0.000 0.227 146 S C 2.058 176.667 174.600 0.015 0.000 1.026 146 S CA 1.612 59.836 58.200 0.041 0.000 0.981 146 S CB -0.538 62.685 63.200 0.038 0.000 0.818 146 S HN 0.680 nan 8.310 nan 0.000 0.472 147 E N 1.533 121.741 120.200 0.013 0.000 2.106 147 E HA -0.074 4.275 4.350 -0.001 0.000 0.192 147 E C 2.035 178.602 176.600 -0.055 0.000 0.984 147 E CA 1.755 58.151 56.400 -0.008 0.000 0.806 147 E CB -1.907 27.798 29.700 0.008 0.000 0.750 147 E HN 0.755 nan 8.360 nan 0.000 0.458 148 T N 0.078 114.553 114.554 -0.131 0.000 2.812 148 T HA 0.145 4.495 4.350 -0.001 0.000 0.264 148 T C 2.413 177.003 174.700 -0.183 0.000 1.042 148 T CA 1.317 63.234 62.100 -0.304 0.000 1.140 148 T CB -0.353 67.979 68.868 -0.894 0.000 0.870 148 T HN 0.582 nan 8.240 nan 0.000 0.445 149 A N 1.273 124.032 122.820 -0.101 0.000 1.940 149 A HA -0.000 4.319 4.320 -0.001 0.000 0.219 149 A C 2.288 179.911 177.584 0.066 0.000 1.176 149 A CA 1.129 53.181 52.037 0.023 0.000 0.631 149 A CB -0.864 18.162 19.000 0.043 0.000 0.814 149 A HN 0.471 nan 8.150 nan 0.000 0.446 150 L N -0.364 120.870 121.223 0.019 0.000 2.027 150 L HA -0.193 4.147 4.340 -0.001 0.000 0.206 150 L C 2.135 179.011 176.870 0.010 0.000 1.074 150 L CA 1.593 56.441 54.840 0.013 0.000 0.745 150 L CB -0.477 41.583 42.059 0.001 0.000 0.898 150 L HN 0.407 nan 8.230 nan 0.000 0.433 151 N N -0.268 118.434 118.700 0.002 0.000 2.166 151 N HA -0.243 4.497 4.740 -0.001 0.000 0.186 151 N C 1.656 177.188 175.510 0.036 0.000 1.019 151 N CA 1.501 54.551 53.050 0.000 0.000 0.856 151 N CB -0.462 38.011 38.487 -0.025 0.000 0.993 151 N HN 0.365 nan 8.380 nan 0.000 0.426 152 F N 2.101 121.995 119.950 -0.092 0.000 2.128 152 F HA -0.205 4.322 4.527 -0.001 0.000 0.295 152 F C 2.874 178.657 175.800 -0.028 0.000 1.100 152 F CA 2.003 59.965 58.000 -0.064 0.000 1.260 152 F CB -0.489 38.464 39.000 -0.078 0.000 1.009 152 F HN 0.080 nan 8.300 nan 0.000 0.476 153 Q N -0.178 119.565 119.800 -0.095 0.000 2.124 153 Q HA -0.150 4.189 4.340 -0.001 0.000 0.202 153 Q C 1.935 177.840 176.000 -0.158 0.000 0.977 153 Q CA 2.375 58.077 55.803 -0.169 0.000 0.850 153 Q CB -1.674 27.045 28.738 -0.033 0.000 0.901 153 Q HN 0.547 nan 8.270 nan 0.000 0.429 154 T N -0.760 113.735 114.554 -0.098 0.000 2.983 154 T HA 0.212 4.561 4.350 -0.001 0.000 0.250 154 T C 2.170 176.823 174.700 -0.078 0.000 1.037 154 T CA 1.605 63.661 62.100 -0.072 0.000 1.142 154 T CB 0.104 68.948 68.868 -0.041 0.000 0.876 154 T HN 0.653 nan 8.240 nan 0.000 0.455 155 K N 0.621 120.976 120.400 -0.076 0.000 2.402 155 K HA 0.631 4.951 4.320 -0.001 0.000 0.203 155 K C 0.926 177.487 176.600 -0.066 0.000 1.077 155 K CA 0.453 56.706 56.287 -0.058 0.000 1.051 155 K CB -0.046 32.434 32.500 -0.033 0.000 0.907 155 K HN 0.694 nan 8.250 nan 0.000 0.554 156 G N -1.062 107.662 108.800 -0.125 0.000 2.631 156 G HA2 -0.235 3.725 3.960 -0.001 0.000 0.504 156 G HA3 -0.235 3.725 3.960 -0.001 0.000 0.504 156 G C 0.393 175.350 174.900 0.094 0.000 1.306 156 G CA 0.261 45.278 45.100 -0.138 0.000 0.897 156 G HN 0.930 nan 8.290 nan 0.000 0.520 157 Y N 1.092 121.460 120.300 0.114 0.000 2.193 157 Y HA -0.193 4.357 4.550 -0.000 0.000 0.285 157 Y C 2.601 178.594 175.900 0.154 0.000 1.166 157 Y CA 2.717 60.998 58.100 0.303 0.000 1.181 157 Y CB -0.081 38.512 38.460 0.221 0.000 0.976 157 Y HN 0.489 nan 8.280 nan 0.000 0.520 158 N N -0.384 118.255 118.700 -0.103 0.000 2.457 158 N HA -0.101 4.639 4.740 -0.001 0.000 0.180 158 N C 1.188 176.595 175.510 -0.173 0.000 1.050 158 N CA 0.824 53.731 53.050 -0.239 0.000 0.906 158 N CB -0.019 38.446 38.487 -0.038 0.000 0.968 158 N HN 0.187 nan 8.380 nan 0.000 0.445 159 K N 0.681 121.027 120.400 -0.089 0.000 2.437 159 K HA 0.187 4.506 4.320 -0.001 0.000 0.198 159 K C 0.303 176.854 176.600 -0.082 0.000 1.024 159 K CA -0.154 56.094 56.287 -0.066 0.000 1.148 159 K CB -0.130 32.352 32.500 -0.030 0.000 0.860 159 K HN -0.010 nan 8.250 nan 0.000 0.515 160 V N 1.619 121.451 119.914 -0.136 0.000 2.498 160 V HA 0.250 4.370 4.120 -0.001 0.000 0.279 160 V C 0.602 176.597 176.094 -0.165 0.000 1.048 160 V CA -0.562 61.630 62.300 -0.180 0.000 0.967 160 V CB 1.502 33.199 31.823 -0.211 0.000 0.988 160 V HN 0.280 nan 8.190 nan 0.000 0.473 161 S N 5.733 121.378 115.700 -0.092 0.000 2.564 161 S HA 0.238 4.708 4.470 -0.001 0.000 0.278 161 S C -1.273 173.291 174.600 -0.060 0.000 1.333 161 S CA -0.960 57.222 58.200 -0.030 0.000 1.048 161 S CB 1.058 64.321 63.200 0.106 0.000 0.900 161 S HN 0.666 nan 8.310 nan 0.000 0.505 162 P HA 0.064 nan 4.420 nan 0.000 0.226 162 P C 0.179 177.279 177.300 -0.334 0.000 1.153 162 P CA 0.830 63.727 63.100 -0.338 0.000 0.777 162 P CB 0.002 31.374 31.700 -0.546 0.000 0.794 163 F N -2.608 117.383 119.950 0.068 0.000 2.692 163 F HA 0.197 4.724 4.527 -0.000 0.000 0.303 163 F C 1.774 177.641 175.800 0.111 0.000 1.114 163 F CA -0.471 57.568 58.000 0.065 0.000 1.361 163 F CB -1.004 38.027 39.000 0.052 0.000 1.063 163 F HN -0.160 nan 8.300 nan 0.000 0.550 164 F N 0.554 120.551 119.950 0.079 0.000 2.075 164 F HA -0.168 4.358 4.527 -0.001 0.000 0.297 164 F C 2.027 177.852 175.800 0.042 0.000 1.113 164 F CA 1.468 59.497 58.000 0.048 0.000 1.218 164 F CB -0.721 38.274 39.000 -0.009 0.000 0.984 164 F HN -0.147 nan 8.300 nan 0.000 0.472 165 V N 1.600 121.398 119.914 -0.192 0.000 2.261 165 V HA -0.195 3.925 4.120 -0.001 0.000 0.246 165 V C -0.364 175.635 176.094 -0.159 0.000 1.047 165 V CA 2.325 64.437 62.300 -0.313 0.000 1.015 165 V CB -1.940 29.782 31.823 -0.169 0.000 0.642 165 V HN 0.193 nan 8.190 nan 0.000 0.446 166 P HA -0.164 nan 4.420 nan 0.000 0.221 166 P C 1.498 178.810 177.300 0.020 0.000 1.145 166 P CA 1.391 64.507 63.100 0.027 0.000 0.795 166 P CB 0.025 31.801 31.700 0.127 0.000 0.775 167 K N 0.057 120.473 120.400 0.027 0.000 2.314 167 K HA 0.056 4.376 4.320 -0.001 0.000 0.198 167 K C 1.736 178.327 176.600 -0.015 0.000 1.045 167 K CA 0.550 56.859 56.287 0.037 0.000 0.988 167 K CB -0.209 32.361 32.500 0.117 0.000 0.783 167 K HN 0.162 nan 8.250 nan 0.000 0.484 168 I N -1.765 118.736 120.570 -0.116 0.000 3.968 168 I HA 0.220 4.390 4.170 -0.001 0.000 0.328 168 I C -0.369 175.682 176.117 -0.110 0.000 1.290 168 I CA -0.429 60.792 61.300 -0.131 0.000 1.163 168 I CB 0.233 38.067 38.000 -0.278 0.000 1.024 168 I HN -0.155 nan 8.210 nan 0.000 0.413 169 L N 1.455 122.619 121.223 -0.098 0.000 2.349 169 L HA 0.197 4.537 4.340 -0.001 0.000 0.275 169 L C 1.522 178.368 176.870 -0.040 0.000 1.115 169 L CA -0.409 54.389 54.840 -0.071 0.000 0.820 169 L CB 2.036 44.055 42.059 -0.066 0.000 1.135 169 L HN -0.031 nan 8.230 nan 0.000 0.445 170 V N 2.654 122.548 119.914 -0.033 0.000 2.392 170 V HA -0.272 3.848 4.120 -0.001 0.000 0.249 170 V C 2.096 178.179 176.094 -0.017 0.000 1.059 170 V CA 2.133 64.421 62.300 -0.021 0.000 1.051 170 V CB -0.600 31.211 31.823 -0.019 0.000 0.658 170 V HN 1.039 nan 8.190 nan 0.000 0.455 171 N N -0.790 117.895 118.700 -0.024 0.000 2.521 171 N HA -0.092 4.648 4.740 -0.001 0.000 0.188 171 N C 1.396 176.904 175.510 -0.004 0.000 1.146 171 N CA 0.566 53.606 53.050 -0.017 0.000 0.893 171 N CB -0.054 38.417 38.487 -0.027 0.000 0.975 171 N HN 0.312 nan 8.380 nan 0.000 0.451 172 M N 0.565 120.162 119.600 -0.005 0.000 2.349 172 M HA 0.135 4.615 4.480 -0.001 0.000 0.266 172 M C 2.178 178.485 176.300 0.011 0.000 1.076 172 M CA 0.541 55.843 55.300 0.003 0.000 1.126 172 M CB -0.984 31.616 32.600 -0.001 0.000 1.392 172 M HN 0.291 nan 8.290 nan 0.000 0.440 173 A N 0.585 123.412 122.820 0.012 0.000 1.883 173 A HA -0.056 4.263 4.320 -0.001 0.000 0.217 173 A C 2.442 180.046 177.584 0.034 0.000 1.186 173 A CA 2.245 54.294 52.037 0.021 0.000 0.624 173 A CB -0.965 18.044 19.000 0.014 0.000 0.822 173 A HN 0.449 nan 8.150 nan 0.000 0.444 174 A N -0.569 122.270 122.820 0.033 0.000 1.908 174 A HA 0.076 4.396 4.320 -0.001 0.000 0.218 174 A C 2.435 180.048 177.584 0.047 0.000 1.181 174 A CA 2.099 54.164 52.037 0.047 0.000 0.627 174 A CB -1.442 17.587 19.000 0.048 0.000 0.818 174 A HN 0.775 nan 8.150 nan 0.000 0.445 175 G N -1.294 107.525 108.800 0.031 0.000 2.418 175 G HA2 -0.191 3.768 3.960 -0.001 0.000 0.217 175 G HA3 -0.191 3.768 3.960 -0.001 0.000 0.217 175 G C 1.576 176.491 174.900 0.025 0.000 1.158 175 G CA 0.911 46.027 45.100 0.026 0.000 0.771 175 G HN 0.506 nan 8.290 nan 0.000 0.545 176 Q N 0.112 119.925 119.800 0.022 0.000 2.119 176 Q HA -0.014 4.326 4.340 -0.001 0.000 0.201 176 Q C 2.933 178.943 176.000 0.017 0.000 0.972 176 Q CA 0.884 56.692 55.803 0.009 0.000 0.847 176 Q CB -0.505 28.236 28.738 0.004 0.000 0.903 176 Q HN 0.416 nan 8.270 nan 0.000 0.433 177 V N 1.014 120.971 119.914 0.072 0.000 2.358 177 V HA -0.225 3.894 4.120 -0.001 0.000 0.246 177 V C 2.582 178.793 176.094 0.195 0.000 1.047 177 V CA 1.848 64.253 62.300 0.174 0.000 1.035 177 V CB -0.644 31.297 31.823 0.197 0.000 0.658 177 V HN 0.376 nan 8.190 nan 0.000 0.452 178 S N -0.011 115.760 115.700 0.119 0.000 2.353 178 S HA -0.206 4.263 4.470 -0.001 0.000 0.222 178 S C 1.935 176.568 174.600 0.056 0.000 1.035 178 S CA 2.078 60.337 58.200 0.098 0.000 1.025 178 S CB -0.387 62.851 63.200 0.064 0.000 0.902 178 S HN 0.519 nan 8.310 nan 0.000 0.440 179 I N 0.859 121.436 120.570 0.012 0.000 2.252 179 I HA -0.146 4.024 4.170 -0.001 0.000 0.245 179 I C 3.026 179.094 176.117 -0.081 0.000 1.102 179 I CA 0.963 62.251 61.300 -0.021 0.000 1.385 179 I CB -0.332 37.654 38.000 -0.023 0.000 1.064 179 I HN 0.185 nan 8.210 nan 0.000 0.414 180 R N -0.454 119.943 120.500 -0.172 0.000 2.092 180 R HA -0.118 4.222 4.340 -0.001 0.000 0.231 180 R C 1.546 177.520 176.300 -0.545 0.000 1.119 180 R CA 1.228 57.078 56.100 -0.416 0.000 0.970 180 R CB -1.049 28.867 30.300 -0.640 0.000 0.864 180 R HN 0.511 nan 8.270 nan 0.000 0.440 181 Y N 0.317 120.637 120.300 0.034 0.000 2.507 181 Y HA 0.401 4.951 4.550 -0.000 0.000 0.254 181 Y C 0.462 176.371 175.900 0.015 0.000 1.171 181 Y CA -0.954 57.164 58.100 0.031 0.000 1.238 181 Y CB 0.297 38.786 38.460 0.049 0.000 1.148 181 Y HN -0.083 nan 8.280 nan 0.000 0.525 182 K N 0.763 121.217 120.400 0.090 0.000 3.244 182 K HA -0.184 4.136 4.320 -0.001 0.000 0.270 182 K C -0.967 175.684 176.600 0.084 0.000 1.016 182 K CA 0.493 56.818 56.287 0.063 0.000 0.754 182 K CB -2.010 30.513 32.500 0.038 0.000 1.326 182 K HN 0.428 nan 8.250 nan 0.000 0.465 183 L N 1.058 122.345 121.223 0.107 0.000 2.257 183 L HA 0.227 4.566 4.340 -0.001 0.000 0.290 183 L C 1.331 178.243 176.870 0.069 0.000 1.044 183 L CA -0.233 54.671 54.840 0.107 0.000 0.810 183 L CB 0.868 43.010 42.059 0.138 0.000 1.193 183 L HN 0.105 nan 8.230 nan 0.000 0.425 184 K N 1.765 122.199 120.400 0.057 0.000 2.374 184 K HA 0.193 4.512 4.320 -0.001 0.000 0.202 184 K C 1.023 177.631 176.600 0.012 0.000 1.040 184 K CA -0.241 56.065 56.287 0.032 0.000 1.085 184 K CB 1.175 33.693 32.500 0.030 0.000 0.873 184 K HN 0.764 nan 8.250 nan 0.000 0.539 185 G N 2.322 111.128 108.800 0.011 0.000 2.489 185 G HA2 0.138 4.098 3.960 -0.001 0.000 0.271 185 G HA3 0.138 4.098 3.960 -0.001 0.000 0.271 185 G C -2.416 172.439 174.900 -0.076 0.000 1.427 185 G CA -0.952 44.129 45.100 -0.032 0.000 1.057 185 G HN -0.108 nan 8.290 nan 0.000 0.532 186 P HA 0.004 nan 4.420 nan 0.000 0.261 186 P C -0.493 176.727 177.300 -0.134 0.000 1.173 186 P CA 0.377 63.316 63.100 -0.268 0.000 0.760 186 P CB 0.364 31.669 31.700 -0.659 0.000 0.783 187 N N 2.662 121.325 118.700 -0.063 0.000 2.524 187 N HA 0.160 4.900 4.740 -0.001 0.000 0.261 187 N C -1.477 174.094 175.510 0.103 0.000 0.998 187 N CA -0.139 52.925 53.050 0.024 0.000 0.915 187 N CB 0.527 39.024 38.487 0.017 0.000 1.187 187 N HN 0.497 nan 8.380 nan 0.000 0.507 188 H N 1.856 120.937 119.070 0.019 0.000 2.865 188 H HA 0.596 5.152 4.556 -0.001 0.000 0.362 188 H C -1.814 173.561 175.328 0.080 0.000 1.114 188 H CA -0.475 55.617 56.048 0.073 0.000 1.208 188 H CB 2.171 32.039 29.762 0.177 0.000 1.727 188 H HN 0.559 nan 8.280 nan 0.000 0.534 189 A N 4.714 127.429 122.820 -0.174 0.000 2.381 189 A HA 0.522 4.842 4.320 -0.001 0.000 0.299 189 A C -0.726 176.765 177.584 -0.155 0.000 1.049 189 A CA -0.492 51.495 52.037 -0.083 0.000 0.715 189 A CB 0.929 19.901 19.000 -0.047 0.000 1.222 189 A HN 0.440 nan 8.150 nan 0.000 0.428 190 V N -0.177 119.722 119.914 -0.025 0.000 2.834 190 V HA 0.933 5.053 4.120 -0.001 0.000 0.313 190 V C 0.209 176.318 176.094 0.024 0.000 1.060 190 V CA -0.457 61.845 62.300 0.002 0.000 0.989 190 V CB 1.810 33.692 31.823 0.098 0.000 1.041 190 V HN 1.084 nan 8.190 nan 0.000 0.459 191 S N 1.331 117.050 115.700 0.032 0.000 2.381 191 S HA 0.479 4.949 4.470 -0.001 0.000 0.193 191 S C 0.057 174.699 174.600 0.070 0.000 1.287 191 S CA 0.145 58.370 58.200 0.042 0.000 1.199 191 S CB 0.231 63.443 63.200 0.019 0.000 1.214 191 S HN 1.298 nan 8.310 nan 0.000 0.444 192 T N 1.175 115.797 114.554 0.112 0.000 3.374 192 T HA 0.725 5.075 4.350 -0.001 0.000 0.267 192 T C 0.630 175.398 174.700 0.114 0.000 0.996 192 T CA 0.181 62.371 62.100 0.150 0.000 0.977 192 T CB 0.092 69.138 68.868 0.297 0.000 1.149 192 T HN 1.505 nan 8.240 nan 0.000 0.517 196 T N 1.775 116.329 114.554 -0.000 0.000 2.649 196 T HA -0.160 4.190 4.350 -0.001 0.000 0.268 196 T C 2.185 176.902 174.700 0.028 0.000 1.036 196 T CA 2.227 64.364 62.100 0.061 0.000 1.157 196 T CB -0.698 68.192 68.868 0.038 0.000 0.861 196 T HN 0.588 nan 8.240 nan 0.000 0.445 197 G N 0.346 109.123 108.800 -0.038 0.000 2.421 197 G HA2 0.130 4.089 3.960 -0.001 0.000 0.217 197 G HA3 0.130 4.089 3.960 -0.001 0.000 0.217 197 G C 1.773 176.625 174.900 -0.080 0.000 1.143 197 G CA 0.816 45.881 45.100 -0.058 0.000 0.784 197 G HN 0.601 nan 8.290 nan 0.000 0.541 198 A N 0.621 123.372 122.820 -0.115 0.000 1.873 198 A HA -0.007 4.312 4.320 -0.001 0.000 0.215 198 A C 2.007 179.534 177.584 -0.094 0.000 1.186 198 A CA 1.697 53.651 52.037 -0.138 0.000 0.616 198 A CB -0.766 18.121 19.000 -0.188 0.000 0.823 198 A HN 0.511 nan 8.150 nan 0.000 0.442 199 H N -0.621 118.465 119.070 0.027 0.000 2.352 199 H HA -0.047 4.509 4.556 -0.000 0.000 0.299 199 H C 2.523 177.830 175.328 -0.034 0.000 1.097 199 H CA 1.034 57.133 56.048 0.086 0.000 1.311 199 H CB -0.002 29.847 29.762 0.146 0.000 1.377 199 H HN 0.551 nan 8.280 nan 0.000 0.504 200 A N 0.455 123.345 122.820 0.117 0.000 1.883 200 A HA -0.176 4.143 4.320 -0.001 0.000 0.217 200 A C 2.582 180.152 177.584 -0.023 0.000 1.186 200 A CA 1.889 53.969 52.037 0.072 0.000 0.624 200 A CB -0.837 18.201 19.000 0.063 0.000 0.822 200 A HN 0.232 nan 8.150 nan 0.000 0.444 201 V N -0.241 119.618 119.914 -0.093 0.000 2.358 201 V HA -0.123 3.997 4.120 -0.001 0.000 0.246 201 V C 2.796 178.743 176.094 -0.245 0.000 1.047 201 V CA 1.809 64.027 62.300 -0.137 0.000 1.035 201 V CB -1.474 30.260 31.823 -0.149 0.000 0.658 201 V HN 0.610 nan 8.190 nan 0.000 0.452 202 G N -0.058 108.419 108.800 -0.538 0.000 2.421 202 G HA2 -0.230 3.730 3.960 -0.001 0.000 0.216 202 G HA3 -0.230 3.730 3.960 -0.001 0.000 0.216 202 G C 1.223 175.689 174.900 -0.724 0.000 1.171 202 G CA 1.000 45.357 45.100 -1.239 0.000 0.775 202 G HN 0.500 nan 8.290 nan 0.000 0.543 203 D N 0.725 120.871 120.400 -0.423 0.000 2.144 203 D HA -0.049 4.590 4.640 -0.001 0.000 0.199 203 D C 2.830 178.845 176.300 -0.476 0.000 0.984 203 D CA 1.118 54.880 54.000 -0.398 0.000 0.834 203 D CB -0.268 40.329 40.800 -0.338 0.000 0.955 203 D HN 0.255 nan 8.370 nan 0.000 0.465 204 S N 0.364 115.980 115.700 -0.140 0.000 2.383 204 S HA -0.112 4.358 4.470 -0.001 0.000 0.227 204 S C 1.640 176.276 174.600 0.059 0.000 1.026 204 S CA 0.289 58.530 58.200 0.069 0.000 0.981 204 S CB -0.315 62.936 63.200 0.086 0.000 0.818 204 S HN 0.294 nan 8.310 nan 0.000 0.472 205 F N 3.398 123.261 119.950 -0.144 0.000 2.095 205 F HA -0.114 4.413 4.527 -0.000 0.000 0.298 205 F C 2.207 177.980 175.800 -0.045 0.000 1.104 205 F CA 1.387 59.328 58.000 -0.097 0.000 1.232 205 F CB -0.318 38.597 39.000 -0.142 0.000 0.987 205 F HN -0.032 nan 8.300 nan 0.000 0.475 206 R N -0.141 120.078 120.500 -0.469 0.000 2.092 206 R HA -0.143 4.197 4.340 -0.001 0.000 0.231 206 R C 2.228 178.380 176.300 -0.248 0.000 1.119 206 R CA 1.378 57.183 56.100 -0.491 0.000 0.970 206 R CB -1.447 28.638 30.300 -0.359 0.000 0.864 206 R HN 0.334 nan 8.270 nan 0.000 0.440 207 F N 1.066 120.930 119.950 -0.143 0.000 2.102 207 F HA -0.115 4.411 4.527 -0.001 0.000 0.298 207 F C 2.433 178.195 175.800 -0.064 0.000 1.105 207 F CA 0.756 58.698 58.000 -0.096 0.000 1.239 207 F CB -0.870 38.070 39.000 -0.100 0.000 0.991 207 F HN -0.110 nan 8.300 nan 0.000 0.474 208 I N -0.256 120.390 120.570 0.126 0.000 2.179 208 I HA -0.303 3.867 4.170 -0.001 0.000 0.242 208 I C 2.643 178.766 176.117 0.009 0.000 1.088 208 I CA 1.247 62.575 61.300 0.047 0.000 1.357 208 I CB -0.887 37.133 38.000 0.034 0.000 1.051 208 I HN 0.088 nan 8.210 nan 0.000 0.409 209 A N 0.166 122.953 122.820 -0.054 0.000 1.892 209 A HA -0.344 3.976 4.320 -0.001 0.000 0.218 209 A C 2.211 179.755 177.584 -0.066 0.000 1.188 209 A CA 2.463 54.460 52.037 -0.067 0.000 0.631 209 A CB -1.123 17.741 19.000 -0.227 0.000 0.822 209 A HN 0.574 nan 8.150 nan 0.000 0.447 210 H N -1.846 117.124 119.070 -0.168 0.000 2.502 210 H HA 0.241 4.796 4.556 -0.001 0.000 0.283 210 H C 1.381 176.643 175.328 -0.110 0.000 1.015 210 H CA 1.621 57.550 56.048 -0.198 0.000 1.298 210 H CB 0.065 29.741 29.762 -0.143 0.000 1.411 210 H HN 0.624 nan 8.280 nan 0.000 0.556 211 G N -0.386 108.406 108.800 -0.013 0.000 2.192 211 G HA2 -0.224 3.736 3.960 -0.001 0.000 0.193 211 G HA3 -0.224 3.736 3.960 -0.001 0.000 0.193 211 G C 0.862 175.770 174.900 0.014 0.000 0.999 211 G CA 0.293 45.365 45.100 -0.047 0.000 0.659 211 G HN 0.475 nan 8.290 nan 0.000 0.503 212 D N 0.671 121.126 120.400 0.092 0.000 2.263 212 D HA 0.299 4.938 4.640 -0.001 0.000 0.208 212 D C 1.294 177.576 176.300 -0.030 0.000 0.971 212 D CA 1.731 55.753 54.000 0.037 0.000 0.867 212 D CB 0.282 41.099 40.800 0.029 0.000 0.929 212 D HN 1.051 nan 8.370 nan 0.000 0.492 213 A N 0.007 122.819 122.820 -0.014 0.000 2.604 213 A HA 0.331 4.651 4.320 -0.001 0.000 0.295 213 A C -0.635 176.909 177.584 -0.067 0.000 1.067 213 A CA -0.665 51.346 52.037 -0.043 0.000 0.683 213 A CB 1.374 20.343 19.000 -0.051 0.000 1.281 213 A HN -0.260 nan 8.150 nan 0.000 0.407 214 D N -0.332 119.988 120.400 -0.134 0.000 2.366 214 D HA 0.273 4.913 4.640 -0.001 0.000 0.205 214 D C 0.052 176.101 176.300 -0.419 0.000 1.022 214 D CA 1.107 54.935 54.000 -0.287 0.000 0.868 214 D CB 0.895 41.443 40.800 -0.419 0.000 0.953 214 D HN 0.261 nan 8.370 nan 0.000 0.514 215 V N 1.444 121.179 119.914 -0.298 0.000 2.888 215 V HA 0.394 4.514 4.120 -0.001 0.000 0.309 215 V C -0.730 175.306 176.094 -0.097 0.000 1.114 215 V CA -0.710 61.415 62.300 -0.292 0.000 0.940 215 V CB 2.791 34.336 31.823 -0.463 0.000 1.021 215 V HN -0.096 nan 8.190 nan 0.000 0.426 216 M N 3.543 123.110 119.600 -0.055 0.000 2.327 216 M HA 0.501 4.981 4.480 -0.001 0.000 0.298 216 M C -0.877 175.434 176.300 0.019 0.000 1.065 216 M CA -0.619 54.690 55.300 0.014 0.000 0.916 216 M CB 1.974 34.607 32.600 0.055 0.000 1.630 216 M HN 0.359 nan 8.290 nan 0.000 0.442 217 V N 3.085 123.026 119.914 0.046 0.000 2.339 217 V HA 0.602 4.721 4.120 -0.001 0.000 0.261 217 V C 0.286 176.402 176.094 0.037 0.000 1.058 217 V CA -0.468 61.855 62.300 0.037 0.000 0.897 217 V CB 0.392 32.245 31.823 0.051 0.000 1.052 217 V HN 0.897 nan 8.190 nan 0.000 0.480 218 A N 3.999 126.828 122.820 0.015 0.000 2.355 218 A HA 1.030 5.350 4.320 -0.001 0.000 0.317 218 A C 0.325 177.900 177.584 -0.014 0.000 1.094 218 A CA 0.193 52.240 52.037 0.017 0.000 0.764 218 A CB 1.839 20.845 19.000 0.010 0.000 1.230 218 A HN 1.185 nan 8.150 nan 0.000 0.448 219 G N -0.171 108.625 108.800 -0.007 0.000 2.399 219 G HA2 0.625 4.585 3.960 -0.001 0.000 0.256 219 G HA3 0.625 4.585 3.960 -0.001 0.000 0.256 219 G C -0.363 174.520 174.900 -0.028 0.000 1.236 219 G CA 0.340 45.417 45.100 -0.039 0.000 0.914 219 G HN 1.802 nan 8.290 nan 0.000 0.482 220 G N -1.609 107.160 108.800 -0.052 0.000 2.690 220 G HA2 0.746 4.706 3.960 -0.001 0.000 0.293 220 G HA3 0.746 4.706 3.960 -0.001 0.000 0.293 220 G C -1.383 173.480 174.900 -0.061 0.000 1.399 220 G CA 0.499 45.572 45.100 -0.046 0.000 0.890 220 G HN 1.221 nan 8.290 nan 0.000 0.485 221 T N -0.123 114.401 114.554 -0.049 0.000 2.923 221 T HA 0.634 4.984 4.350 -0.001 0.000 0.311 221 T C -2.208 172.464 174.700 -0.047 0.000 1.183 221 T CA -0.538 61.527 62.100 -0.059 0.000 1.020 221 T CB 2.125 70.962 68.868 -0.053 0.000 1.165 221 T HN 0.448 nan 8.240 nan 0.000 0.482 222 D N 1.093 121.460 120.400 -0.055 0.000 2.769 222 D HA 0.461 5.101 4.640 -0.001 0.000 0.219 222 D C -1.506 174.773 176.300 -0.036 0.000 1.245 222 D CA -0.203 53.775 54.000 -0.037 0.000 0.801 222 D CB 2.269 43.042 40.800 -0.046 0.000 1.598 222 D HN 0.430 nan 8.370 nan 0.000 0.485 223 S N 1.196 116.892 115.700 -0.005 0.000 2.592 223 S HA 0.251 4.721 4.470 -0.001 0.000 0.151 223 S C 0.171 174.800 174.600 0.049 0.000 1.280 223 S CA -0.490 57.718 58.200 0.013 0.000 1.187 223 S CB -0.738 62.472 63.200 0.017 0.000 1.471 223 S HN 0.584 nan 8.310 nan 0.000 0.409 224 C N 1.437 120.768 119.300 0.052 0.000 3.255 224 C HA 0.564 5.023 4.460 -0.001 0.000 0.282 224 C C 0.575 175.634 174.990 0.115 0.000 1.441 224 C CA -0.699 58.372 59.018 0.089 0.000 1.785 224 C CB -2.026 25.775 27.740 0.101 0.000 2.583 224 C HN 0.721 nan 8.230 nan 0.000 0.615 225 I N 4.217 124.846 120.570 0.097 0.000 2.671 225 I HA 0.225 4.395 4.170 -0.001 0.000 0.285 225 I C 0.539 176.796 176.117 0.235 0.000 1.148 225 I CA 1.395 62.768 61.300 0.122 0.000 1.386 225 I CB 0.034 38.044 38.000 0.016 0.000 1.406 225 I HN 0.669 nan 8.210 nan 0.000 0.540 226 S N 5.581 121.437 115.700 0.260 0.000 2.596 226 S HA 0.511 4.981 4.470 -0.001 0.000 0.270 226 S C -2.342 172.438 174.600 0.300 0.000 1.155 226 S CA -1.332 57.026 58.200 0.263 0.000 0.827 226 S CB 2.016 65.302 63.200 0.144 0.000 1.130 226 S HN 0.159 nan 8.310 nan 0.000 0.467 227 P HA -0.084 nan 4.420 nan 0.000 0.216 227 P C 1.647 179.014 177.300 0.111 0.000 1.153 227 P CA 0.621 63.785 63.100 0.106 0.000 0.858 227 P CB -0.002 31.611 31.700 -0.145 0.000 0.789 228 L N 0.078 121.345 121.223 0.073 0.000 2.017 228 L HA -0.154 4.186 4.340 -0.001 0.000 0.208 228 L C 2.338 179.254 176.870 0.078 0.000 1.073 228 L CA 2.500 57.376 54.840 0.060 0.000 0.745 228 L CB -1.604 40.481 42.059 0.043 0.000 0.894 228 L HN 0.013 nan 8.230 nan 0.000 0.432 229 S N -0.902 114.868 115.700 0.116 0.000 2.368 229 S HA -0.179 4.291 4.470 -0.001 0.000 0.224 229 S C 2.063 176.809 174.600 0.242 0.000 1.029 229 S CA 1.505 59.798 58.200 0.156 0.000 0.988 229 S CB -1.050 62.278 63.200 0.213 0.000 0.838 229 S HN 0.496 nan 8.310 nan 0.000 0.462 230 L N 1.395 122.755 121.223 0.228 0.000 2.141 230 L HA 0.032 4.372 4.340 -0.001 0.000 0.209 230 L C 3.217 180.181 176.870 0.156 0.000 1.094 230 L CA 0.971 55.936 54.840 0.208 0.000 0.763 230 L CB -0.925 41.234 42.059 0.167 0.000 0.908 230 L HN 0.468 nan 8.230 nan 0.000 0.437 231 A N 0.670 123.563 122.820 0.122 0.000 1.908 231 A HA -0.149 4.170 4.320 -0.001 0.000 0.218 231 A C 2.422 180.036 177.584 0.049 0.000 1.181 231 A CA 1.883 53.965 52.037 0.076 0.000 0.627 231 A CB -1.256 17.777 19.000 0.056 0.000 0.818 231 A HN 0.431 nan 8.150 nan 0.000 0.445 232 G N -1.433 107.377 108.800 0.018 0.000 2.421 232 G HA2 -0.137 3.823 3.960 -0.001 0.000 0.216 232 G HA3 -0.137 3.823 3.960 -0.001 0.000 0.216 232 G C 1.352 176.205 174.900 -0.078 0.000 1.171 232 G CA 1.085 46.142 45.100 -0.072 0.000 0.775 232 G HN 0.411 nan 8.290 nan 0.000 0.543 233 F N 1.085 121.073 119.950 0.065 0.000 2.186 233 F HA 0.023 4.550 4.527 -0.000 0.000 0.299 233 F C 3.072 178.872 175.800 -0.001 0.000 1.090 233 F CA 1.242 59.281 58.000 0.066 0.000 1.307 233 F CB -0.460 38.537 39.000 -0.006 0.000 1.019 233 F HN 0.197 nan 8.300 nan 0.000 0.489 234 S N -0.048 115.734 115.700 0.137 0.000 2.356 234 S HA -0.167 4.303 4.470 -0.001 0.000 0.223 234 S C 2.402 177.032 174.600 0.051 0.000 1.032 234 S CA 1.077 59.309 58.200 0.053 0.000 1.005 234 S CB -0.110 63.111 63.200 0.036 0.000 0.867 234 S HN 0.141 nan 8.310 nan 0.000 0.449 235 R N 1.084 121.613 120.500 0.047 0.000 2.120 235 R HA 0.102 4.442 4.340 -0.001 0.000 0.234 235 R C 2.249 178.573 176.300 0.041 0.000 1.123 235 R CA 1.113 57.232 56.100 0.033 0.000 0.975 235 R CB -1.270 29.041 30.300 0.018 0.000 0.866 235 R HN 0.507 nan 8.270 nan 0.000 0.446 236 A N 0.597 123.458 122.820 0.068 0.000 2.239 236 A HA -0.054 4.266 4.320 -0.001 0.000 0.209 236 A C 0.640 178.286 177.584 0.103 0.000 1.171 236 A CA 0.398 52.488 52.037 0.089 0.000 0.768 236 A CB -0.097 18.998 19.000 0.157 0.000 0.790 236 A HN 0.206 nan 8.150 nan 0.000 0.478 237 R N -3.452 117.097 120.500 0.082 0.000 3.656 237 R HA -0.228 4.111 4.340 -0.001 0.000 0.297 237 R C 1.022 177.367 176.300 0.075 0.000 1.166 237 R CA 1.394 57.528 56.100 0.057 0.000 0.799 237 R CB -3.086 27.238 30.300 0.041 0.000 1.285 237 R HN 1.489 nan 8.270 nan 0.000 0.477 238 A N -0.830 122.050 122.820 0.101 0.000 2.169 238 A HA 0.506 4.825 4.320 -0.001 0.000 0.210 238 A C 0.867 178.305 177.584 -0.243 0.000 1.168 238 A CA 0.413 52.517 52.037 0.111 0.000 0.813 238 A CB 0.484 19.745 19.000 0.435 0.000 0.861 238 A HN 0.397 nan 8.150 nan 0.000 0.481 239 L N 0.356 121.400 121.223 -0.299 0.000 2.322 239 L HA 0.355 4.694 4.340 -0.001 0.000 0.279 239 L C 0.580 177.323 176.870 -0.211 0.000 1.036 239 L CA -0.609 53.970 54.840 -0.434 0.000 0.807 239 L CB 1.782 43.618 42.059 -0.371 0.000 1.226 239 L HN 0.165 nan 8.230 nan 0.000 0.433 240 S N 0.282 115.866 115.700 -0.193 0.000 2.549 240 S HA 0.009 4.479 4.470 -0.001 0.000 0.286 240 S C 1.129 175.672 174.600 -0.095 0.000 1.314 240 S CA -0.099 58.034 58.200 -0.112 0.000 1.062 240 S CB 0.558 63.699 63.200 -0.098 0.000 0.865 240 S HN 0.774 nan 8.310 nan 0.000 0.498 241 T N 1.841 116.356 114.554 -0.064 0.000 3.107 241 T HA 0.147 4.496 4.350 -0.001 0.000 0.249 241 T C 0.624 175.298 174.700 -0.043 0.000 1.096 241 T CA -0.421 61.651 62.100 -0.047 0.000 1.012 241 T CB -0.332 68.518 68.868 -0.030 0.000 0.977 241 T HN 0.528 nan 8.240 nan 0.000 0.527 242 N N 2.783 121.452 118.700 -0.051 0.000 2.447 242 N HA 0.015 4.755 4.740 -0.001 0.000 0.263 242 N C 1.199 176.680 175.510 -0.049 0.000 1.226 242 N CA 0.499 53.519 53.050 -0.049 0.000 0.906 242 N CB 1.294 39.744 38.487 -0.061 0.000 1.060 242 N HN 0.480 nan 8.380 nan 0.000 0.468 243 S N 1.205 116.882 115.700 -0.038 0.000 2.558 243 S HA -0.010 4.460 4.470 -0.001 0.000 0.217 243 S C 0.309 174.889 174.600 -0.034 0.000 0.975 243 S CA -0.228 57.952 58.200 -0.033 0.000 0.912 243 S CB 0.230 63.417 63.200 -0.021 0.000 0.776 243 S HN 0.537 nan 8.310 nan 0.000 0.526 244 D N 3.165 123.541 120.400 -0.040 0.000 2.380 244 D HA 0.314 4.954 4.640 -0.001 0.000 0.230 244 D C -1.575 174.696 176.300 -0.048 0.000 1.154 244 D CA -2.431 51.545 54.000 -0.040 0.000 0.859 244 D CB 1.781 42.556 40.800 -0.042 0.000 1.045 244 D HN 0.054 nan 8.370 nan 0.000 0.495 245 P HA -0.117 nan 4.420 nan 0.000 0.223 245 P C 1.003 178.273 177.300 -0.049 0.000 1.151 245 P CA 1.002 64.076 63.100 -0.045 0.000 0.787 245 P CB 0.156 31.838 31.700 -0.030 0.000 0.788 246 K N -0.306 120.066 120.400 -0.046 0.000 2.365 246 K HA 0.007 4.327 4.320 -0.001 0.000 0.199 246 K C 1.843 178.401 176.600 -0.070 0.000 1.045 246 K CA 1.104 57.360 56.287 -0.051 0.000 0.962 246 K CB -1.087 31.387 32.500 -0.042 0.000 0.759 246 K HN 0.144 nan 8.250 nan 0.000 0.469 247 L N -1.844 119.331 121.223 -0.080 0.000 2.749 247 L HA 0.485 4.824 4.340 -0.001 0.000 0.242 247 L C 2.512 179.305 176.870 -0.127 0.000 1.103 247 L CA 1.009 55.781 54.840 -0.113 0.000 0.906 247 L CB 0.498 42.493 42.059 -0.105 0.000 1.228 247 L HN 0.227 nan 8.230 nan 0.000 0.517 248 A N -0.863 121.898 122.820 -0.099 0.000 1.883 248 A HA -0.210 4.110 4.320 -0.001 0.000 0.217 248 A C 1.383 178.904 177.584 -0.104 0.000 1.186 248 A CA 1.418 53.398 52.037 -0.096 0.000 0.624 248 A CB -1.046 17.905 19.000 -0.082 0.000 0.822 248 A HN 0.449 nan 8.150 nan 0.000 0.444 249 C N 1.933 121.173 119.300 -0.101 0.000 2.246 249 C HA 0.657 5.117 4.460 -0.001 0.000 0.329 249 C C 0.314 175.228 174.990 -0.127 0.000 1.221 249 C CA -0.806 58.152 59.018 -0.100 0.000 1.697 249 C CB -1.085 26.608 27.740 -0.079 0.000 2.312 249 C HN 0.494 nan 8.230 nan 0.000 0.509 250 R N 4.681 125.093 120.500 -0.147 0.000 2.734 250 R HA 0.341 4.680 4.340 -0.001 0.000 0.268 250 R C -3.210 172.996 176.300 -0.157 0.000 1.785 250 R CA -1.417 54.590 56.100 -0.157 0.000 1.461 250 R CB 0.342 30.487 30.300 -0.259 0.000 1.308 250 R HN 0.358 nan 8.270 nan 0.000 0.586 251 P HA 0.044 nan 4.420 nan 0.000 0.266 251 P C -0.266 176.783 177.300 -0.419 0.000 1.195 251 P CA 0.026 62.853 63.100 -0.455 0.000 0.768 251 P CB 0.081 31.439 31.700 -0.570 0.000 0.838 252 F N -2.282 117.471 119.950 -0.328 0.000 2.890 252 F HA -0.268 4.259 4.527 -0.001 0.000 0.346 252 F C 1.040 176.426 175.800 -0.690 0.000 0.660 252 F CA 0.988 58.589 58.000 -0.665 0.000 1.091 252 F CB -2.496 36.035 39.000 -0.783 0.000 1.535 252 F HN 0.511 nan 8.300 nan 0.000 0.314 253 H N 2.374 121.243 119.070 -0.335 0.000 2.562 253 H HA 0.164 4.719 4.556 -0.001 0.000 0.352 253 H C -1.706 173.465 175.328 -0.262 0.000 1.125 253 H CA -1.324 54.576 56.048 -0.247 0.000 1.379 253 H CB 1.627 31.299 29.762 -0.152 0.000 1.464 253 H HN -0.243 nan 8.280 nan 0.000 0.563 254 P HA -0.119 nan 4.420 nan 0.000 0.217 254 P C 0.457 177.756 177.300 -0.002 0.000 1.148 254 P CA 1.772 64.740 63.100 -0.221 0.000 0.828 254 P CB 0.268 31.796 31.700 -0.287 0.000 0.783 255 K N -0.671 119.885 120.400 0.260 0.000 2.372 255 K HA 0.095 4.415 4.320 -0.001 0.000 0.200 255 K C 0.575 177.221 176.600 0.077 0.000 1.022 255 K CA -0.261 56.132 56.287 0.177 0.000 1.125 255 K CB 0.163 32.783 32.500 0.200 0.000 0.855 255 K HN 0.274 nan 8.250 nan 0.000 0.524 256 R N 2.153 122.686 120.500 0.055 0.000 2.640 256 R HA -0.043 4.296 4.340 -0.001 0.000 0.270 256 R C -0.272 176.016 176.300 -0.020 0.000 1.024 256 R CA 0.831 56.916 56.100 -0.026 0.000 1.085 256 R CB 0.109 30.366 30.300 -0.071 0.000 0.963 256 R HN 0.021 nan 8.270 nan 0.000 0.426 257 D N 1.099 121.482 120.400 -0.029 0.000 2.822 257 D HA 0.206 4.846 4.640 -0.001 0.000 0.327 257 D C 0.057 176.343 176.300 -0.023 0.000 1.577 257 D CA 0.132 54.121 54.000 -0.019 0.000 0.785 257 D CB 0.337 41.123 40.800 -0.023 0.000 1.199 257 D HN 0.918 nan 8.370 nan 0.000 0.443 258 G N 0.496 109.291 108.800 -0.009 0.000 2.459 258 G HA2 0.222 4.181 3.960 -0.001 0.000 0.685 258 G HA3 0.222 4.181 3.960 -0.001 0.000 0.685 258 G C -0.513 174.389 174.900 0.003 0.000 1.303 258 G CA -0.660 44.436 45.100 -0.007 0.000 0.907 258 G HN 0.328 nan 8.290 nan 0.000 0.632 259 F N -0.526 119.410 119.950 -0.022 0.000 2.368 259 F HA 0.833 5.359 4.527 -0.001 0.000 0.308 259 F C 0.226 175.975 175.800 -0.085 0.000 1.198 259 F CA -1.280 56.688 58.000 -0.053 0.000 1.130 259 F CB 1.072 40.082 39.000 0.016 0.000 1.300 259 F HN 0.455 nan 8.300 nan 0.000 0.537 260 V N 3.231 123.264 119.914 0.199 0.000 2.444 260 V HA 0.253 4.372 4.120 -0.001 0.000 0.294 260 V C -0.097 176.083 176.094 0.143 0.000 1.022 260 V CA -0.846 61.472 62.300 0.031 0.000 0.850 260 V CB 1.427 33.232 31.823 -0.029 0.000 0.992 260 V HN 0.959 nan 8.190 nan 0.000 0.426 261 M N 4.025 123.632 119.600 0.012 0.000 2.200 261 M HA 0.577 5.057 4.480 -0.001 0.000 0.355 261 M C 0.498 176.722 176.300 -0.127 0.000 1.283 261 M CA 0.359 55.645 55.300 -0.023 0.000 1.124 261 M CB 0.660 33.194 32.600 -0.110 0.000 1.625 261 M HN 0.824 nan 8.290 nan 0.000 0.463 262 G N 3.493 112.221 108.800 -0.120 0.000 3.108 262 G HA2 0.733 4.693 3.960 -0.001 0.000 0.268 262 G HA3 0.733 4.693 3.960 -0.001 0.000 0.268 262 G C -1.777 173.043 174.900 -0.133 0.000 1.361 262 G CA -0.691 44.321 45.100 -0.147 0.000 1.047 262 G HN 0.779 nan 8.290 nan 0.000 0.540 263 E N -2.119 118.014 120.200 -0.110 0.000 2.413 263 E HA 0.741 5.091 4.350 -0.001 0.000 0.277 263 E C -0.312 176.236 176.600 -0.087 0.000 0.958 263 E CA -0.842 55.509 56.400 -0.082 0.000 0.779 263 E CB 2.236 31.910 29.700 -0.045 0.000 1.278 263 E HN 1.510 nan 8.360 nan 0.000 0.456 264 G N -0.330 108.408 108.800 -0.103 0.000 2.359 264 G HA2 0.507 4.466 3.960 -0.001 0.000 0.293 264 G HA3 0.507 4.466 3.960 -0.001 0.000 0.293 264 G C -1.773 173.039 174.900 -0.146 0.000 1.300 264 G CA -0.335 44.679 45.100 -0.143 0.000 0.888 264 G HN 0.985 nan 8.290 nan 0.000 0.541 265 A N -1.223 121.493 122.820 -0.174 0.000 2.515 265 A HA 1.113 5.433 4.320 -0.001 0.000 0.298 265 A C -0.231 177.261 177.584 -0.153 0.000 1.059 265 A CA 0.350 52.295 52.037 -0.153 0.000 0.698 265 A CB 1.622 20.525 19.000 -0.161 0.000 1.289 265 A HN 2.583 nan 8.150 nan 0.000 0.404 266 A N 0.751 123.487 122.820 -0.140 0.000 2.427 266 A HA 0.720 5.039 4.320 -0.001 0.000 0.298 266 A C -1.405 176.106 177.584 -0.122 0.000 1.036 266 A CA -0.433 51.514 52.037 -0.150 0.000 0.701 266 A CB 1.476 20.353 19.000 -0.204 0.000 1.250 266 A HN 1.505 nan 8.150 nan 0.000 0.412 267 V N 2.810 122.659 119.914 -0.108 0.000 2.638 267 V HA 0.565 4.684 4.120 -0.001 0.000 0.306 267 V C -1.133 174.910 176.094 -0.084 0.000 1.052 267 V CA -0.446 61.806 62.300 -0.081 0.000 0.885 267 V CB 1.640 33.428 31.823 -0.059 0.000 0.999 267 V HN 0.776 nan 8.190 nan 0.000 0.424 268 L N 4.577 125.755 121.223 -0.076 0.000 2.346 268 L HA 0.634 4.974 4.340 -0.001 0.000 0.274 268 L C -0.187 176.657 176.870 -0.042 0.000 1.007 268 L CA -0.503 54.292 54.840 -0.075 0.000 0.818 268 L CB 1.970 43.969 42.059 -0.100 0.000 1.284 268 L HN 0.370 nan 8.230 nan 0.000 0.424 269 V N 4.246 124.143 119.914 -0.029 0.000 2.385 269 V HA 0.342 4.462 4.120 -0.001 0.000 0.269 269 V C -0.025 176.044 176.094 -0.042 0.000 1.043 269 V CA -0.355 61.928 62.300 -0.028 0.000 0.906 269 V CB 1.062 32.874 31.823 -0.018 0.000 0.995 269 V HN 0.401 nan 8.190 nan 0.000 0.467 270 L N 4.794 125.988 121.223 -0.049 0.000 2.344 270 L HA 0.691 5.031 4.340 -0.001 0.000 0.272 270 L C -0.052 176.765 176.870 -0.088 0.000 1.035 270 L CA 0.091 54.907 54.840 -0.041 0.000 0.807 270 L CB 1.609 43.667 42.059 -0.001 0.000 1.237 270 L HN 0.761 nan 8.230 nan 0.000 0.442 271 E N 0.650 120.806 120.200 -0.073 0.000 2.372 271 E HA 0.185 4.535 4.350 -0.001 0.000 0.279 271 E C -1.377 175.193 176.600 -0.050 0.000 0.946 271 E CA -0.700 55.612 56.400 -0.147 0.000 0.769 271 E CB 1.514 31.114 29.700 -0.167 0.000 1.230 271 E HN 0.517 nan 8.360 nan 0.000 0.442 272 E N 2.841 122.986 120.200 -0.092 0.000 2.414 272 E HA -0.093 4.257 4.350 -0.001 0.000 0.263 272 E C -0.014 176.672 176.600 0.144 0.000 1.000 272 E CA 0.239 56.656 56.400 0.028 0.000 0.914 272 E CB 0.477 30.169 29.700 -0.013 0.000 0.948 272 E HN 0.602 nan 8.360 nan 0.000 0.444 273 Y N 4.827 125.143 120.300 0.025 0.000 2.114 273 Y HA -0.226 4.324 4.550 -0.001 0.000 0.284 273 Y C 2.079 177.996 175.900 0.029 0.000 1.143 273 Y CA 2.478 60.594 58.100 0.028 0.000 1.135 273 Y CB -0.192 38.290 38.460 0.037 0.000 0.980 273 Y HN 0.769 nan 8.280 nan 0.000 0.499 274 E N -1.369 118.811 120.200 -0.034 0.000 2.077 274 E HA -0.291 4.059 4.350 -0.001 0.000 0.193 274 E C 2.394 178.962 176.600 -0.054 0.000 0.989 274 E CA 1.175 57.493 56.400 -0.138 0.000 0.800 274 E CB -0.529 29.128 29.700 -0.071 0.000 0.746 274 E HN 0.588 nan 8.360 nan 0.000 0.452 275 H N -0.044 118.979 119.070 -0.078 0.000 2.319 275 H HA -0.148 4.407 4.556 -0.001 0.000 0.297 275 H C 1.834 177.098 175.328 -0.107 0.000 1.097 275 H CA 1.874 57.864 56.048 -0.097 0.000 1.285 275 H CB -0.025 29.659 29.762 -0.130 0.000 1.368 275 H HN 0.306 nan 8.280 nan 0.000 0.495 276 A N 0.247 123.110 122.820 0.072 0.000 1.898 276 A HA -0.087 4.232 4.320 -0.001 0.000 0.216 276 A C 2.897 180.466 177.584 -0.025 0.000 1.181 276 A CA 1.567 53.621 52.037 0.030 0.000 0.620 276 A CB -0.795 18.262 19.000 0.095 0.000 0.819 276 A HN 0.296 nan 8.150 nan 0.000 0.442 277 V N -0.293 119.583 119.914 -0.064 0.000 2.323 277 V HA -0.219 3.901 4.120 -0.001 0.000 0.244 277 V C 3.273 179.310 176.094 -0.095 0.000 1.041 277 V CA 2.401 64.641 62.300 -0.100 0.000 1.025 277 V CB -1.331 30.357 31.823 -0.224 0.000 0.656 277 V HN 0.760 nan 8.190 nan 0.000 0.451 278 Q N 0.906 120.636 119.800 -0.116 0.000 2.226 278 Q HA -0.240 4.099 4.340 -0.001 0.000 0.204 278 Q C 2.166 178.108 176.000 -0.097 0.000 0.975 278 Q CA 1.961 57.700 55.803 -0.107 0.000 0.866 278 Q CB -0.825 27.840 28.738 -0.121 0.000 0.915 278 Q HN 0.879 nan 8.270 nan 0.000 0.440 279 R N -1.947 118.485 120.500 -0.113 0.000 2.334 279 R HA 0.209 4.549 4.340 -0.001 0.000 0.216 279 R C 0.255 176.541 176.300 -0.022 0.000 0.905 279 R CA -0.041 56.021 56.100 -0.062 0.000 1.064 279 R CB 0.369 30.634 30.300 -0.058 0.000 1.046 279 R HN 0.146 nan 8.270 nan 0.000 0.508 280 R N 0.346 120.828 120.500 -0.031 0.000 3.322 280 R HA -0.104 4.235 4.340 -0.001 0.000 0.266 280 R C -1.028 175.269 176.300 -0.006 0.000 1.072 280 R CA 0.764 56.855 56.100 -0.015 0.000 0.715 280 R CB -2.304 27.991 30.300 -0.009 0.000 1.199 280 R HN 0.588 nan 8.270 nan 0.000 0.421 281 A N 1.074 123.888 122.820 -0.010 0.000 2.286 281 A HA 0.588 4.907 4.320 -0.001 0.000 0.286 281 A C 0.587 178.146 177.584 -0.041 0.000 1.097 281 A CA -0.459 51.569 52.037 -0.016 0.000 0.821 281 A CB 0.614 19.606 19.000 -0.014 0.000 1.076 281 A HN 0.299 nan 8.150 nan 0.000 0.490 282 R N 1.575 122.022 120.500 -0.088 0.000 2.298 282 R HA 0.350 4.690 4.340 -0.001 0.000 0.310 282 R C -1.275 174.887 176.300 -0.230 0.000 1.068 282 R CA 0.051 56.054 56.100 -0.162 0.000 0.957 282 R CB -0.092 30.061 30.300 -0.245 0.000 1.003 282 R HN 0.633 nan 8.270 nan 0.000 0.454 283 I N 5.854 126.328 120.570 -0.160 0.000 2.339 283 I HA 0.119 4.289 4.170 -0.001 0.000 0.290 283 I C 0.292 176.317 176.117 -0.154 0.000 0.994 283 I CA -0.559 60.674 61.300 -0.112 0.000 1.191 283 I CB 1.418 39.428 38.000 0.017 0.000 1.343 283 I HN 0.648 nan 8.210 nan 0.000 0.458 284 Y N 4.988 125.191 120.300 -0.160 0.000 2.206 284 Y HA 0.252 4.802 4.550 -0.001 0.000 0.292 284 Y C 1.216 177.094 175.900 -0.038 0.000 1.123 284 Y CA 0.839 58.795 58.100 -0.239 0.000 1.142 284 Y CB 0.107 38.353 38.460 -0.356 0.000 1.006 284 Y HN 0.652 nan 8.280 nan 0.000 0.518 285 A N -0.852 122.030 122.820 0.104 0.000 2.566 285 A HA 0.472 4.791 4.320 -0.001 0.000 0.290 285 A C -1.474 176.087 177.584 -0.038 0.000 1.071 285 A CA -0.820 51.237 52.037 0.033 0.000 0.658 285 A CB 0.875 19.888 19.000 0.021 0.000 1.285 285 A HN 0.063 nan 8.150 nan 0.000 0.427 286 E N 0.171 120.325 120.200 -0.077 0.000 2.191 286 E HA 0.596 4.946 4.350 -0.001 0.000 0.274 286 E C -1.330 175.179 176.600 -0.152 0.000 0.948 286 E CA -0.620 55.700 56.400 -0.134 0.000 0.802 286 E CB 1.682 31.277 29.700 -0.175 0.000 1.137 286 E HN 0.459 nan 8.360 nan 0.000 0.397 287 V N 6.489 126.272 119.914 -0.218 0.000 2.385 287 V HA 0.104 4.224 4.120 -0.001 0.000 0.269 287 V C 0.972 176.753 176.094 -0.523 0.000 1.043 287 V CA -0.071 61.962 62.300 -0.445 0.000 0.906 287 V CB 0.906 32.327 31.823 -0.671 0.000 0.995 287 V HN 0.804 nan 8.190 nan 0.000 0.467 288 L N 3.762 124.758 121.223 -0.378 0.000 2.253 288 L HA 0.475 4.815 4.340 -0.001 0.000 0.205 288 L C 1.142 177.939 176.870 -0.122 0.000 1.078 288 L CA 0.879 55.612 54.840 -0.178 0.000 0.805 288 L CB 0.107 42.127 42.059 -0.066 0.000 0.963 288 L HN 0.777 nan 8.230 nan 0.000 0.459 289 G N -1.917 106.748 108.800 -0.226 0.000 2.677 289 G HA2 0.451 4.411 3.960 -0.001 0.000 0.291 289 G HA3 0.451 4.411 3.960 -0.001 0.000 0.291 289 G C -2.484 172.490 174.900 0.123 0.000 1.435 289 G CA -0.208 44.929 45.100 0.062 0.000 0.826 289 G HN -0.216 nan 8.290 nan 0.000 0.491 290 Y N 0.204 120.595 120.300 0.152 0.000 2.401 290 Y HA 0.695 5.244 4.550 -0.000 0.000 0.330 290 Y C -0.192 175.772 175.900 0.107 0.000 1.071 290 Y CA -1.150 57.032 58.100 0.137 0.000 1.049 290 Y CB 1.911 40.536 38.460 0.276 0.000 1.239 290 Y HN 0.927 nan 8.280 nan 0.000 0.437 291 G N 5.320 114.164 108.800 0.074 0.000 2.542 291 G HA2 0.686 4.646 3.960 -0.001 0.000 0.311 291 G HA3 0.686 4.646 3.960 -0.001 0.000 0.311 291 G C -2.368 172.465 174.900 -0.111 0.000 1.298 291 G CA -0.878 44.186 45.100 -0.060 0.000 0.973 291 G HN 0.501 nan 8.290 nan 0.000 0.487 292 L N 1.217 122.356 121.223 -0.140 0.000 2.422 292 L HA 0.833 5.173 4.340 -0.001 0.000 0.264 292 L C 0.252 177.117 176.870 -0.009 0.000 0.984 292 L CA -0.649 54.160 54.840 -0.052 0.000 0.819 292 L CB 2.356 44.344 42.059 -0.117 0.000 1.330 292 L HN 0.840 nan 8.230 nan 0.000 0.410 293 S N -0.235 115.489 115.700 0.040 0.000 2.672 293 S HA 0.958 5.428 4.470 -0.001 0.000 0.271 293 S C -0.819 173.803 174.600 0.036 0.000 1.171 293 S CA -0.367 57.844 58.200 0.019 0.000 0.817 293 S CB 1.626 64.828 63.200 0.003 0.000 1.150 293 S HN 0.925 nan 8.310 nan 0.000 0.478 294 G N -0.256 108.554 108.800 0.015 0.000 2.617 294 G HA2 0.541 4.500 3.960 -0.001 0.000 0.306 294 G HA3 0.541 4.500 3.960 -0.001 0.000 0.306 294 G C -0.468 174.433 174.900 0.001 0.000 1.360 294 G CA -0.652 44.460 45.100 0.020 0.000 0.983 294 G HN 0.540 nan 8.290 nan 0.000 0.496 295 D N 1.996 122.396 120.400 -0.000 0.000 2.117 295 D HA -0.009 4.631 4.640 -0.001 0.000 0.197 295 D C 2.181 178.482 176.300 0.001 0.000 0.987 295 D CA 1.897 55.891 54.000 -0.009 0.000 0.829 295 D CB -0.038 40.762 40.800 -0.001 0.000 0.961 295 D HN 1.067 nan 8.370 nan 0.000 0.460 296 A N -1.144 121.682 122.820 0.009 0.000 2.791 296 A HA -0.061 4.259 4.320 -0.001 0.000 0.292 296 A C 1.265 178.856 177.584 0.011 0.000 1.487 296 A CA 1.399 53.440 52.037 0.006 0.000 0.760 296 A CB -1.652 17.348 19.000 -0.000 0.000 1.031 296 A HN 0.447 nan 8.150 nan 0.000 0.503 297 G N -1.572 107.243 108.800 0.024 0.000 2.449 297 G HA2 0.480 4.439 3.960 -0.001 0.000 0.192 297 G HA3 0.480 4.439 3.960 -0.001 0.000 0.192 297 G C 0.176 175.127 174.900 0.084 0.000 1.776 297 G CA 0.652 45.781 45.100 0.049 0.000 0.699 297 G HN 0.890 nan 8.290 nan 0.000 0.745 298 H N 0.164 119.225 119.070 -0.014 0.000 2.731 298 H HA 0.377 4.932 4.556 -0.001 0.000 0.368 298 H C 1.256 176.561 175.328 -0.038 0.000 1.168 298 H CA -0.368 55.663 56.048 -0.027 0.000 1.181 298 H CB 2.380 32.124 29.762 -0.030 0.000 1.743 298 H HN 0.233 nan 8.280 nan 0.000 0.547 299 I N -0.254 120.030 120.570 -0.477 0.000 2.876 299 I HA -0.011 4.158 4.170 -0.001 0.000 0.264 299 I C 1.230 177.210 176.117 -0.228 0.000 1.204 299 I CA 1.255 62.391 61.300 -0.274 0.000 1.485 299 I CB 0.013 37.823 38.000 -0.317 0.000 1.103 299 I HN 0.433 nan 8.210 nan 0.000 0.446 300 T N -1.768 112.723 114.554 -0.106 0.000 2.989 300 T HA 0.519 4.869 4.350 -0.001 0.000 0.250 300 T C 0.859 175.575 174.700 0.027 0.000 0.981 300 T CA 0.301 62.179 62.100 -0.371 0.000 0.980 300 T CB -0.099 68.430 68.868 -0.565 0.000 1.133 300 T HN 0.286 nan 8.240 nan 0.000 0.489 301 A N 3.662 126.606 122.820 0.207 0.000 2.306 301 A HA 0.756 5.075 4.320 -0.001 0.000 0.314 301 A C -2.544 175.100 177.584 0.099 0.000 1.164 301 A CA -1.844 50.236 52.037 0.072 0.000 0.822 301 A CB 0.464 19.375 19.000 -0.149 0.000 1.130 301 A HN 0.326 nan 8.150 nan 0.000 0.496 302 P HA 0.086 nan 4.420 nan 0.000 0.276 302 P C -0.607 176.703 177.300 0.017 0.000 1.244 302 P CA -0.471 62.659 63.100 0.051 0.000 0.801 302 P CB 0.565 32.294 31.700 0.049 0.000 1.006 303 D N 2.314 122.708 120.400 -0.009 0.000 2.570 303 D HA -0.059 4.581 4.640 -0.001 0.000 0.243 303 D C -1.051 175.243 176.300 -0.011 0.000 1.171 303 D CA -0.833 53.159 54.000 -0.013 0.000 0.879 303 D CB 0.691 41.470 40.800 -0.035 0.000 1.143 303 D HN 0.187 nan 8.370 nan 0.000 0.511 304 P HA -0.096 nan 4.420 nan 0.000 0.221 304 P C 0.696 178.005 177.300 0.015 0.000 1.150 304 P CA 0.762 63.868 63.100 0.011 0.000 0.800 304 P CB 0.425 32.132 31.700 0.011 0.000 0.787 305 E N -0.743 119.469 120.200 0.019 0.000 2.502 305 E HA 0.106 4.456 4.350 -0.001 0.000 0.194 305 E C 1.377 177.993 176.600 0.027 0.000 1.062 305 E CA 0.511 56.937 56.400 0.044 0.000 0.867 305 E CB -0.740 29.000 29.700 0.067 0.000 0.888 305 E HN 0.266 nan 8.360 nan 0.000 0.510 306 G N 2.178 110.965 108.800 -0.020 0.000 2.198 306 G HA2 -0.357 3.603 3.960 -0.001 0.000 0.260 306 G HA3 -0.357 3.603 3.960 -0.001 0.000 0.260 306 G C 0.787 175.649 174.900 -0.064 0.000 1.025 306 G CA 0.780 45.836 45.100 -0.074 0.000 0.769 306 G HN 0.385 nan 8.290 nan 0.000 0.507 307 E N -0.426 119.756 120.200 -0.030 0.000 2.118 307 E HA -0.081 4.268 4.350 -0.001 0.000 0.195 307 E C 2.684 179.254 176.600 -0.051 0.000 0.992 307 E CA 1.028 57.417 56.400 -0.017 0.000 0.804 307 E CB -0.255 29.440 29.700 -0.009 0.000 0.741 307 E HN 0.567 nan 8.360 nan 0.000 0.458 308 G N 1.391 110.137 108.800 -0.090 0.000 2.403 308 G HA2 -0.145 3.815 3.960 -0.001 0.000 0.216 308 G HA3 -0.145 3.815 3.960 -0.001 0.000 0.216 308 G C 1.753 176.563 174.900 -0.150 0.000 1.154 308 G CA 0.718 45.756 45.100 -0.103 0.000 0.784 308 G HN 0.331 nan 8.290 nan 0.000 0.538 309 A N 0.736 123.379 122.820 -0.295 0.000 1.883 309 A HA -0.032 4.288 4.320 -0.001 0.000 0.217 309 A C 2.378 179.937 177.584 -0.041 0.000 1.186 309 A CA 1.601 53.449 52.037 -0.316 0.000 0.624 309 A CB -0.537 18.172 19.000 -0.485 0.000 0.822 309 A HN 0.420 nan 8.150 nan 0.000 0.444 310 L N -0.925 120.280 121.223 -0.031 0.000 2.083 310 L HA -0.174 4.166 4.340 -0.001 0.000 0.209 310 L C 2.733 179.603 176.870 0.000 0.000 1.083 310 L CA 1.464 56.312 54.840 0.012 0.000 0.752 310 L CB -0.226 41.850 42.059 0.028 0.000 0.899 310 L HN 0.349 nan 8.230 nan 0.000 0.433 311 R N -0.706 119.786 120.500 -0.013 0.000 2.075 311 R HA -0.160 4.179 4.340 -0.001 0.000 0.232 311 R C 2.500 178.801 176.300 0.002 0.000 1.126 311 R CA 1.596 57.688 56.100 -0.013 0.000 0.963 311 R CB -0.733 29.554 30.300 -0.020 0.000 0.858 311 R HN 0.665 nan 8.270 nan 0.000 0.435 312 C N -0.407 118.909 119.300 0.026 0.000 2.450 312 C HA 0.110 4.570 4.460 -0.001 0.000 0.279 312 C C 2.519 177.552 174.990 0.072 0.000 1.335 312 C CA 0.124 59.175 59.018 0.055 0.000 1.749 312 C CB -0.777 27.027 27.740 0.106 0.000 1.963 312 C HN 0.338 nan 8.230 nan 0.000 0.501 313 M N 1.901 121.556 119.600 0.091 0.000 2.099 313 M HA -0.020 4.460 4.480 -0.001 0.000 0.262 313 M C 2.843 179.161 176.300 0.030 0.000 1.067 313 M CA 1.999 57.357 55.300 0.096 0.000 1.124 313 M CB -0.665 32.023 32.600 0.147 0.000 1.353 313 M HN 0.521 nan 8.290 nan 0.000 0.410 314 A N 0.656 123.468 122.820 -0.012 0.000 1.908 314 A HA -0.092 4.228 4.320 -0.001 0.000 0.218 314 A C 2.387 179.956 177.584 -0.025 0.000 1.181 314 A CA 2.048 54.056 52.037 -0.049 0.000 0.627 314 A CB -0.942 18.023 19.000 -0.059 0.000 0.818 314 A HN 0.505 nan 8.150 nan 0.000 0.445 315 A N -0.206 122.608 122.820 -0.010 0.000 1.902 315 A HA 0.154 4.473 4.320 -0.001 0.000 0.217 315 A C 2.508 180.100 177.584 0.013 0.000 1.181 315 A CA 2.125 54.157 52.037 -0.009 0.000 0.623 315 A CB -1.009 17.978 19.000 -0.023 0.000 0.818 315 A HN 1.081 nan 8.150 nan 0.000 0.443 316 A N -0.275 122.567 122.820 0.036 0.000 1.902 316 A HA -0.023 4.297 4.320 -0.001 0.000 0.217 316 A C 2.161 179.776 177.584 0.052 0.000 1.181 316 A CA 1.446 53.524 52.037 0.069 0.000 0.623 316 A CB -0.579 18.475 19.000 0.090 0.000 0.818 316 A HN 0.475 nan 8.150 nan 0.000 0.443 317 L N -0.461 120.780 121.223 0.030 0.000 2.046 317 L HA -0.212 4.128 4.340 -0.001 0.000 0.208 317 L C 2.649 179.522 176.870 0.004 0.000 1.077 317 L CA 1.972 56.819 54.840 0.012 0.000 0.747 317 L CB -0.462 41.582 42.059 -0.026 0.000 0.896 317 L HN 0.564 nan 8.230 nan 0.000 0.432 318 K N 0.348 120.746 120.400 -0.003 0.000 2.026 318 K HA -0.260 4.060 4.320 -0.001 0.000 0.208 318 K C 1.813 178.421 176.600 0.012 0.000 1.048 318 K CA 2.084 58.368 56.287 -0.005 0.000 0.929 318 K CB -0.142 32.349 32.500 -0.014 0.000 0.713 318 K HN 0.109 nan 8.250 nan 0.000 0.439 319 D N 0.231 120.652 120.400 0.036 0.000 2.117 319 D HA -0.095 4.545 4.640 -0.001 0.000 0.197 319 D C 1.756 178.107 176.300 0.085 0.000 0.987 319 D CA 1.522 55.565 54.000 0.071 0.000 0.829 319 D CB -0.133 40.748 40.800 0.135 0.000 0.961 319 D HN 0.372 nan 8.370 nan 0.000 0.460 320 A N -0.402 122.461 122.820 0.072 0.000 2.019 320 A HA 0.213 4.533 4.320 -0.001 0.000 0.219 320 A C 1.912 179.515 177.584 0.032 0.000 1.164 320 A CA 1.631 53.699 52.037 0.052 0.000 0.644 320 A CB -0.837 18.181 19.000 0.030 0.000 0.805 320 A HN 0.585 nan 8.150 nan 0.000 0.449 321 G N -1.692 107.119 108.800 0.019 0.000 2.225 321 G HA2 -0.116 3.843 3.960 -0.001 0.000 0.264 321 G HA3 -0.116 3.843 3.960 -0.001 0.000 0.264 321 G C -0.078 174.824 174.900 0.002 0.000 1.060 321 G CA 0.251 45.354 45.100 0.005 0.000 0.833 321 G HN 0.962 nan 8.290 nan 0.000 0.498 322 V N 0.986 120.902 119.914 0.002 0.000 2.495 322 V HA 0.493 4.613 4.120 -0.001 0.000 0.298 322 V C 0.242 176.328 176.094 -0.014 0.000 1.031 322 V CA -1.145 61.156 62.300 0.002 0.000 0.871 322 V CB 1.865 33.698 31.823 0.017 0.000 0.988 322 V HN 0.377 nan 8.190 nan 0.000 0.432 323 Q N 4.849 124.633 119.800 -0.026 0.000 2.354 323 Q HA 0.267 4.606 4.340 -0.001 0.000 0.244 323 Q C -1.664 174.302 176.000 -0.056 0.000 0.969 323 Q CA -2.077 53.694 55.803 -0.053 0.000 0.885 323 Q CB 0.784 29.487 28.738 -0.058 0.000 1.241 323 Q HN 0.347 nan 8.270 nan 0.000 0.461 324 P HA -0.221 nan 4.420 nan 0.000 0.216 324 P C 0.784 178.054 177.300 -0.049 0.000 1.154 324 P CA 1.550 64.602 63.100 -0.081 0.000 0.865 324 P CB 0.266 31.788 31.700 -0.297 0.000 0.789 325 E N 0.024 120.053 120.200 -0.286 0.000 2.472 325 E HA -0.159 4.191 4.350 -0.001 0.000 0.200 325 E C 1.140 177.460 176.600 -0.465 0.000 1.046 325 E CA 0.920 56.901 56.400 -0.698 0.000 0.871 325 E CB -0.796 28.720 29.700 -0.306 0.000 0.806 325 E HN 0.473 nan 8.360 nan 0.000 0.533 326 E N 0.513 120.605 120.200 -0.179 0.000 2.478 326 E HA 0.093 4.443 4.350 -0.001 0.000 0.194 326 E C 0.323 176.930 176.600 0.011 0.000 1.045 326 E CA -0.167 56.201 56.400 -0.052 0.000 0.868 326 E CB 0.356 30.046 29.700 -0.017 0.000 0.885 326 E HN 0.153 nan 8.360 nan 0.000 0.505 327 I N 1.153 121.765 120.570 0.070 0.000 2.441 327 I HA 0.007 4.177 4.170 -0.001 0.000 0.287 327 I C 1.041 177.229 176.117 0.118 0.000 1.049 327 I CA 0.468 61.828 61.300 0.100 0.000 1.381 327 I CB 1.546 39.639 38.000 0.155 0.000 1.409 327 I HN -0.063 nan 8.210 nan 0.000 0.523 328 S N 4.806 120.451 115.700 -0.092 0.000 2.499 328 S HA 0.073 4.543 4.470 -0.001 0.000 0.225 328 S C -0.168 174.311 174.600 -0.202 0.000 1.050 328 S CA 0.350 58.459 58.200 -0.153 0.000 0.928 328 S CB 0.267 63.132 63.200 -0.559 0.000 0.803 328 S HN 0.616 nan 8.310 nan 0.000 0.506 329 Y N 0.708 120.797 120.300 -0.352 0.000 2.504 329 Y HA 0.621 5.172 4.550 0.001 0.000 0.344 329 Y C -1.971 173.827 175.900 -0.169 0.000 1.023 329 Y CA -1.649 56.285 58.100 -0.277 0.000 1.020 329 Y CB 0.913 39.321 38.460 -0.086 0.000 1.282 329 Y HN -0.056 nan 8.280 nan 0.000 0.454 330 I N 5.861 125.915 120.570 -0.860 0.000 2.410 330 I HA 0.262 4.432 4.170 -0.001 0.000 0.286 330 I C -0.496 175.018 176.117 -1.006 0.000 1.009 330 I CA -0.776 60.067 61.300 -0.762 0.000 1.111 330 I CB 1.502 39.263 38.000 -0.397 0.000 1.262 330 I HN 0.607 nan 8.210 nan 0.000 0.443 331 N N 6.000 124.207 118.700 -0.823 0.000 2.415 331 N HA 0.292 5.032 4.740 -0.001 0.000 0.250 331 N C -0.285 175.133 175.510 -0.153 0.000 1.127 331 N CA -0.113 52.731 53.050 -0.344 0.000 0.945 331 N CB 1.139 39.607 38.487 -0.031 0.000 1.196 331 N HN 0.737 nan 8.380 nan 0.000 0.499 332 A N 2.878 125.667 122.820 -0.051 0.000 2.407 332 A HA 0.027 4.347 4.320 -0.001 0.000 0.248 332 A C 1.138 178.685 177.584 -0.061 0.000 1.082 332 A CA -0.161 51.894 52.037 0.030 0.000 0.785 332 A CB 0.259 19.425 19.000 0.275 0.000 1.020 332 A HN 0.909 nan 8.150 nan 0.000 0.489 333 H N 2.400 121.340 119.070 -0.217 0.000 2.389 333 H HA 0.166 4.722 4.556 -0.000 0.000 0.299 333 H C 1.370 176.537 175.328 -0.269 0.000 1.081 333 H CA 1.170 57.008 56.048 -0.351 0.000 1.345 333 H CB -0.338 29.041 29.762 -0.639 0.000 1.393 333 H HN 0.905 nan 8.280 nan 0.000 0.520 334 A N 0.919 123.590 122.820 -0.249 0.000 2.336 334 A HA -0.152 4.168 4.320 -0.001 0.000 0.311 334 A C 1.562 178.836 177.584 -0.516 0.000 0.919 334 A CA 1.238 53.030 52.037 -0.409 0.000 1.275 334 A CB -0.874 17.634 19.000 -0.820 0.000 0.717 334 A HN 0.772 nan 8.150 nan 0.000 0.359 335 T N -0.247 114.036 114.554 -0.452 0.000 3.144 335 T HA 0.348 4.698 4.350 -0.001 0.000 0.249 335 T C 0.648 175.244 174.700 -0.174 0.000 1.089 335 T CA 0.816 62.681 62.100 -0.393 0.000 0.989 335 T CB -0.145 68.493 68.868 -0.383 0.000 0.992 335 T HN 2.092 nan 8.240 nan 0.000 0.540 336 S N 0.700 116.271 115.700 -0.215 0.000 3.807 336 S HA -0.126 4.344 4.470 -0.001 0.000 0.304 336 S C 0.175 174.744 174.600 -0.053 0.000 1.152 336 S CA 0.585 58.693 58.200 -0.155 0.000 0.852 336 S CB -2.098 61.027 63.200 -0.124 0.000 0.924 336 S HN 1.296 nan 8.310 nan 0.000 0.545 337 T N -1.058 113.483 114.554 -0.022 0.000 2.855 337 T HA 0.712 5.062 4.350 -0.001 0.000 0.281 337 T C -1.460 173.259 174.700 0.032 0.000 1.007 337 T CA -1.679 60.447 62.100 0.045 0.000 1.009 337 T CB 1.792 70.740 68.868 0.132 0.000 0.983 337 T HN -0.058 nan 8.240 nan 0.000 0.455 338 P HA -0.100 nan 4.420 nan 0.000 0.214 338 P C 1.532 178.886 177.300 0.091 0.000 1.169 338 P CA 0.616 63.748 63.100 0.054 0.000 0.908 338 P CB 0.056 31.784 31.700 0.046 0.000 0.791 339 L N -1.105 120.169 121.223 0.085 0.000 2.095 339 L HA 0.075 4.414 4.340 -0.001 0.000 0.204 339 L C 2.418 179.354 176.870 0.110 0.000 1.080 339 L CA 2.044 56.936 54.840 0.088 0.000 0.759 339 L CB -1.494 40.602 42.059 0.061 0.000 0.914 339 L HN -0.039 nan 8.230 nan 0.000 0.439 340 G N -1.176 107.699 108.800 0.126 0.000 2.404 340 G HA2 -0.262 3.698 3.960 -0.001 0.000 0.215 340 G HA3 -0.262 3.698 3.960 -0.001 0.000 0.215 340 G C 1.180 176.178 174.900 0.164 0.000 1.174 340 G CA 0.907 46.102 45.100 0.157 0.000 0.780 340 G HN 0.343 nan 8.290 nan 0.000 0.537 341 D N 0.960 121.433 120.400 0.121 0.000 2.117 341 D HA 0.022 4.662 4.640 -0.001 0.000 0.197 341 D C 2.777 179.314 176.300 0.395 0.000 0.987 341 D CA 1.209 55.293 54.000 0.140 0.000 0.829 341 D CB -0.443 40.311 40.800 -0.075 0.000 0.961 341 D HN 0.303 nan 8.370 nan 0.000 0.460 342 A N 0.969 124.019 122.820 0.383 0.000 1.877 342 A HA -0.038 4.282 4.320 -0.001 0.000 0.216 342 A C 2.301 179.942 177.584 0.096 0.000 1.186 342 A CA 2.230 54.437 52.037 0.282 0.000 0.620 342 A CB -0.915 18.227 19.000 0.237 0.000 0.822 342 A HN 0.226 nan 8.150 nan 0.000 0.443 343 A N -0.267 122.611 122.820 0.096 0.000 1.883 343 A HA -0.244 4.076 4.320 -0.001 0.000 0.217 343 A C 2.065 179.666 177.584 0.028 0.000 1.186 343 A CA 2.036 54.092 52.037 0.032 0.000 0.624 343 A CB -0.643 18.367 19.000 0.017 0.000 0.822 343 A HN 0.694 nan 8.150 nan 0.000 0.444 344 E N -0.422 119.854 120.200 0.126 0.000 2.072 344 E HA -0.255 4.095 4.350 -0.001 0.000 0.191 344 E C 1.980 178.677 176.600 0.162 0.000 0.985 344 E CA 1.276 57.794 56.400 0.195 0.000 0.801 344 E CB -0.228 29.706 29.700 0.389 0.000 0.750 344 E HN 0.598 nan 8.360 nan 0.000 0.452 345 N N 0.757 119.566 118.700 0.181 0.000 2.036 345 N HA -0.211 4.529 4.740 -0.001 0.000 0.195 345 N C 1.568 177.005 175.510 -0.122 0.000 1.037 345 N CA 1.844 54.922 53.050 0.047 0.000 0.855 345 N CB 0.005 38.438 38.487 -0.091 0.000 1.033 345 N HN 0.094 nan 8.380 nan 0.000 0.423 346 K N -0.237 120.045 120.400 -0.198 0.000 2.032 346 K HA -0.086 4.234 4.320 -0.001 0.000 0.209 346 K C 2.061 178.334 176.600 -0.544 0.000 1.048 346 K CA 1.218 57.240 56.287 -0.441 0.000 0.927 346 K CB -0.310 31.973 32.500 -0.360 0.000 0.712 346 K HN 0.273 nan 8.250 nan 0.000 0.441 347 A N 1.681 124.376 122.820 -0.208 0.000 1.873 347 A HA -0.218 4.102 4.320 -0.001 0.000 0.218 347 A C 2.153 179.753 177.584 0.027 0.000 1.193 347 A CA 1.642 53.646 52.037 -0.055 0.000 0.629 347 A CB -0.754 18.250 19.000 0.008 0.000 0.826 347 A HN 0.207 nan 8.150 nan 0.000 0.447 348 I N -0.514 120.095 120.570 0.065 0.000 2.127 348 I HA -0.308 3.861 4.170 -0.001 0.000 0.241 348 I C 2.535 178.750 176.117 0.162 0.000 1.075 348 I CA 1.843 63.253 61.300 0.183 0.000 1.334 348 I CB -0.337 37.695 38.000 0.053 0.000 1.040 348 I HN 0.304 nan 8.210 nan 0.000 0.405 349 K N -0.117 120.268 120.400 -0.024 0.000 2.063 349 K HA -0.215 4.104 4.320 -0.001 0.000 0.208 349 K C 2.036 178.715 176.600 0.133 0.000 1.048 349 K CA 1.748 58.031 56.287 -0.006 0.000 0.928 349 K CB -0.429 32.020 32.500 -0.084 0.000 0.713 349 K HN 0.557 nan 8.250 nan 0.000 0.442 350 H N -0.087 119.014 119.070 0.053 0.000 2.357 350 H HA -0.099 4.457 4.556 -0.000 0.000 0.301 350 H C 2.086 177.415 175.328 0.001 0.000 1.082 350 H CA 0.768 56.831 56.048 0.026 0.000 1.342 350 H CB 0.134 29.899 29.762 0.006 0.000 1.389 350 H HN 0.019 nan 8.280 nan 0.000 0.511 351 L N -0.103 121.181 121.223 0.102 0.000 2.095 351 L HA -0.047 4.293 4.340 -0.001 0.000 0.204 351 L C 1.375 178.107 176.870 -0.230 0.000 1.080 351 L CA 1.503 56.268 54.840 -0.124 0.000 0.759 351 L CB -0.289 41.601 42.059 -0.282 0.000 0.914 351 L HN 0.096 nan 8.230 nan 0.000 0.439 352 F N -0.810 119.173 119.950 0.056 0.000 2.664 352 F HA 0.088 4.615 4.527 0.000 0.000 0.296 352 F C 1.430 177.291 175.800 0.102 0.000 1.125 352 F CA -0.195 57.853 58.000 0.081 0.000 1.444 352 F CB -0.100 38.954 39.000 0.091 0.000 1.114 352 F HN -0.098 nan 8.300 nan 0.000 0.576 353 K N 0.163 120.697 120.400 0.222 0.000 1.844 353 K HA -0.293 4.027 4.320 -0.001 0.000 0.160 353 K C 0.840 177.589 176.600 0.249 0.000 1.448 353 K CA 1.740 58.143 56.287 0.193 0.000 0.446 353 K CB -1.660 30.918 32.500 0.130 0.000 0.635 353 K HN 0.106 nan 8.250 nan 0.000 0.848 354 D N 0.207 120.744 120.400 0.229 0.000 2.264 354 D HA -0.090 4.550 4.640 -0.001 0.000 0.208 354 D C 1.891 178.365 176.300 0.291 0.000 0.966 354 D CA 1.445 55.601 54.000 0.261 0.000 0.864 354 D CB -0.300 40.595 40.800 0.159 0.000 0.933 354 D HN 0.534 nan 8.370 nan 0.000 0.499 355 H N 0.652 119.831 119.070 0.182 0.000 2.546 355 H HA 0.137 4.693 4.556 -0.000 0.000 0.277 355 H C 1.850 177.221 175.328 0.072 0.000 1.004 355 H CA 0.949 57.089 56.048 0.153 0.000 1.231 355 H CB 0.127 30.000 29.762 0.185 0.000 1.382 355 H HN 0.037 nan 8.280 nan 0.000 0.580 356 A N -0.058 122.773 122.820 0.019 0.000 1.978 356 A HA -0.208 4.112 4.320 -0.001 0.000 0.220 356 A C 1.421 178.672 177.584 -0.555 0.000 1.170 356 A CA 1.530 53.377 52.037 -0.315 0.000 0.636 356 A CB -0.791 17.970 19.000 -0.398 0.000 0.810 356 A HN 0.616 nan 8.150 nan 0.000 0.448 357 Y N -1.355 118.859 120.300 -0.144 0.000 2.482 357 Y HA 0.368 4.917 4.550 -0.001 0.000 0.270 357 Y C 2.357 178.179 175.900 -0.130 0.000 1.152 357 Y CA 0.307 58.325 58.100 -0.137 0.000 1.292 357 Y CB -0.006 38.406 38.460 -0.080 0.000 1.070 357 Y HN 0.314 nan 8.280 nan 0.000 0.528 358 A N 0.025 122.774 122.820 -0.119 0.000 2.115 358 A HA 0.230 4.550 4.320 -0.001 0.000 0.211 358 A C 0.814 178.328 177.584 -0.116 0.000 1.169 358 A CA 0.068 52.030 52.037 -0.124 0.000 0.787 358 A CB -0.529 18.368 19.000 -0.172 0.000 0.858 358 A HN 0.280 nan 8.150 nan 0.000 0.474 359 L N -2.988 118.022 121.223 -0.356 0.000 2.469 359 L HA 0.855 5.195 4.340 -0.001 0.000 0.253 359 L C 0.033 176.743 176.870 -0.267 0.000 1.143 359 L CA -0.838 53.858 54.840 -0.240 0.000 0.804 359 L CB 0.348 42.155 42.059 -0.419 0.000 1.214 359 L HN 0.099 nan 8.230 nan 0.000 0.476 360 A N 0.487 123.034 122.820 -0.455 0.000 2.340 360 A HA 0.848 5.167 4.320 -0.001 0.000 0.331 360 A C -0.885 176.512 177.584 -0.311 0.000 1.140 360 A CA -0.618 51.106 52.037 -0.522 0.000 0.801 360 A CB 1.488 19.914 19.000 -0.958 0.000 1.234 360 A HN 0.637 nan 8.150 nan 0.000 0.469 361 V N 1.730 121.491 119.914 -0.254 0.000 2.588 361 V HA 0.728 4.848 4.120 -0.001 0.000 0.304 361 V C 0.017 176.150 176.094 0.064 0.000 1.042 361 V CA -0.156 62.049 62.300 -0.159 0.000 0.877 361 V CB 1.642 33.366 31.823 -0.164 0.000 0.996 361 V HN 1.229 nan 8.190 nan 0.000 0.425 362 S N 2.358 118.159 115.700 0.169 0.000 2.595 362 S HA 0.790 5.260 4.470 -0.001 0.000 0.281 362 S C -0.743 174.002 174.600 0.242 0.000 1.117 362 S CA -0.703 57.660 58.200 0.272 0.000 0.873 362 S CB 2.088 65.442 63.200 0.256 0.000 1.108 362 S HN 0.779 nan 8.310 nan 0.000 0.477 363 S N 0.652 116.493 115.700 0.235 0.000 2.478 363 S HA 0.525 4.995 4.470 -0.001 0.000 0.312 363 S C 0.677 175.299 174.600 0.035 0.000 1.094 363 S CA -0.139 58.106 58.200 0.075 0.000 1.081 363 S CB 0.899 64.050 63.200 -0.080 0.000 1.007 363 S HN 1.037 nan 8.310 nan 0.000 0.475 364 T N 2.115 116.695 114.554 0.045 0.000 3.144 364 T HA 0.245 4.594 4.350 -0.001 0.000 0.249 364 T C 1.162 175.867 174.700 0.009 0.000 1.089 364 T CA -0.098 62.030 62.100 0.046 0.000 0.989 364 T CB -0.121 68.850 68.868 0.171 0.000 0.992 364 T HN 0.596 nan 8.240 nan 0.000 0.540 365 K N 1.048 121.403 120.400 -0.075 0.000 2.283 365 K HA 0.041 4.360 4.320 -0.001 0.000 0.202 365 K C 2.471 179.015 176.600 -0.094 0.000 1.048 365 K CA 0.914 57.127 56.287 -0.123 0.000 0.948 365 K CB -0.436 31.912 32.500 -0.254 0.000 0.742 365 K HN 0.523 nan 8.250 nan 0.000 0.458 366 G N 1.178 109.925 108.800 -0.088 0.000 2.470 366 G HA2 -0.233 3.727 3.960 -0.001 0.000 0.220 366 G HA3 -0.233 3.727 3.960 -0.001 0.000 0.220 366 G C 1.485 176.348 174.900 -0.060 0.000 1.121 366 G CA 1.008 46.062 45.100 -0.077 0.000 0.766 366 G HN 0.346 nan 8.290 nan 0.000 0.553 367 A N 0.406 123.197 122.820 -0.048 0.000 1.887 367 A HA 0.153 4.473 4.320 -0.001 0.000 0.212 367 A C 2.552 180.130 177.584 -0.010 0.000 1.198 367 A CA 2.128 54.141 52.037 -0.039 0.000 0.628 367 A CB -0.508 18.455 19.000 -0.061 0.000 0.847 367 A HN 0.420 nan 8.150 nan 0.000 0.449 368 T N -3.779 110.784 114.554 0.014 0.000 3.051 368 T HA 0.446 4.796 4.350 -0.001 0.000 0.255 368 T C 1.217 175.904 174.700 -0.022 0.000 1.085 368 T CA 1.095 63.209 62.100 0.024 0.000 1.109 368 T CB -0.339 68.570 68.868 0.069 0.000 0.921 368 T HN 1.887 nan 8.240 nan 0.000 0.488 369 G N 1.052 109.829 108.800 -0.038 0.000 2.782 369 G HA2 -0.222 3.737 3.960 -0.001 0.000 0.228 369 G HA3 -0.222 3.737 3.960 -0.001 0.000 0.228 369 G C -0.589 174.287 174.900 -0.039 0.000 1.372 369 G CA -0.349 44.728 45.100 -0.038 0.000 0.862 369 G HN 0.924 nan 8.290 nan 0.000 0.547 370 H N 0.136 119.112 119.070 -0.157 0.000 2.782 370 H HA 0.485 5.041 4.556 -0.000 0.000 0.285 370 H C 1.493 176.659 175.328 -0.270 0.000 1.093 370 H CA -0.891 54.980 56.048 -0.294 0.000 1.410 370 H CB 0.194 29.634 29.762 -0.537 0.000 1.439 370 H HN 0.364 nan 8.280 nan 0.000 0.469 371 L N 7.042 128.282 121.223 0.028 0.000 2.629 371 L HA 0.053 4.393 4.340 -0.001 0.000 0.230 371 L C 0.899 177.722 176.870 -0.079 0.000 1.151 371 L CA 0.108 54.912 54.840 -0.060 0.000 0.924 371 L CB -0.379 41.630 42.059 -0.084 0.000 1.137 371 L HN 0.864 nan 8.230 nan 0.000 0.457 372 L N -0.743 120.438 121.223 -0.069 0.000 5.895 372 L HA -0.351 3.989 4.340 -0.001 0.000 0.053 372 L C 1.886 178.709 176.870 -0.077 0.000 2.741 372 L CA 1.103 55.820 54.840 -0.204 0.000 1.500 372 L CB -1.902 40.003 42.059 -0.257 0.000 2.928 372 L HN 0.272 nan 8.230 nan 0.000 1.023 373 G N -1.013 107.745 108.800 -0.070 0.000 2.479 373 G HA2 0.033 3.993 3.960 -0.001 0.000 0.220 373 G HA3 0.033 3.993 3.960 -0.001 0.000 0.220 373 G C 1.227 176.094 174.900 -0.054 0.000 1.115 373 G CA 1.436 46.511 45.100 -0.042 0.000 0.757 373 G HN 0.884 nan 8.290 nan 0.000 0.560 374 A N 0.238 123.014 122.820 -0.073 0.000 2.169 374 A HA 0.655 4.975 4.320 -0.001 0.000 0.210 374 A C 2.587 180.098 177.584 -0.122 0.000 1.168 374 A CA 1.272 53.251 52.037 -0.098 0.000 0.813 374 A CB -0.228 18.706 19.000 -0.109 0.000 0.861 374 A HN 0.539 nan 8.150 nan 0.000 0.481 375 A N 0.159 122.920 122.820 -0.098 0.000 1.892 375 A HA 0.015 4.334 4.320 -0.001 0.000 0.218 375 A C 2.317 179.806 177.584 -0.159 0.000 1.188 375 A CA 2.054 54.015 52.037 -0.128 0.000 0.631 375 A CB -1.288 17.655 19.000 -0.095 0.000 0.822 375 A HN 0.714 nan 8.150 nan 0.000 0.447 376 G N -1.105 107.615 108.800 -0.133 0.000 2.422 376 G HA2 0.098 4.058 3.960 -0.001 0.000 0.218 376 G HA3 0.098 4.058 3.960 -0.001 0.000 0.218 376 G C 1.656 176.459 174.900 -0.163 0.000 1.140 376 G CA 1.311 46.322 45.100 -0.148 0.000 0.775 376 G HN 0.795 nan 8.290 nan 0.000 0.545 377 A N 0.024 122.747 122.820 -0.161 0.000 1.898 377 A HA 0.180 4.500 4.320 -0.001 0.000 0.214 377 A C 2.503 179.931 177.584 -0.261 0.000 1.183 377 A CA 1.468 53.398 52.037 -0.177 0.000 0.622 377 A CB -0.756 18.160 19.000 -0.140 0.000 0.824 377 A HN 0.354 nan 8.150 nan 0.000 0.444 378 V N 0.343 120.065 119.914 -0.320 0.000 2.490 378 V HA -0.240 3.879 4.120 -0.001 0.000 0.250 378 V C 2.179 177.809 176.094 -0.774 0.000 1.061 378 V CA 2.669 64.632 62.300 -0.561 0.000 1.064 378 V CB -0.528 30.963 31.823 -0.553 0.000 0.670 378 V HN 0.721 nan 8.190 nan 0.000 0.461 379 E N -0.091 119.849 120.200 -0.433 0.000 2.158 379 E HA -0.012 4.338 4.350 -0.001 0.000 0.191 379 E C 2.261 178.785 176.600 -0.126 0.000 0.982 379 E CA 1.005 57.263 56.400 -0.237 0.000 0.823 379 E CB -0.325 29.304 29.700 -0.118 0.000 0.766 379 E HN 0.670 nan 8.360 nan 0.000 0.468 380 A N 1.550 124.270 122.820 -0.167 0.000 1.933 380 A HA -0.122 4.198 4.320 -0.001 0.000 0.218 380 A C 2.384 179.884 177.584 -0.139 0.000 1.175 380 A CA 1.631 53.591 52.037 -0.129 0.000 0.628 380 A CB -0.632 18.280 19.000 -0.147 0.000 0.814 380 A HN 0.291 nan 8.150 nan 0.000 0.444 381 A N -0.765 121.922 122.820 -0.222 0.000 1.877 381 A HA 0.005 4.324 4.320 -0.001 0.000 0.216 381 A C 1.893 179.427 177.584 -0.084 0.000 1.186 381 A CA 1.620 53.517 52.037 -0.233 0.000 0.620 381 A CB -0.737 18.087 19.000 -0.293 0.000 0.822 381 A HN 0.435 nan 8.150 nan 0.000 0.443 382 F N 0.785 120.710 119.950 -0.041 0.000 2.171 382 F HA -0.092 4.435 4.527 0.001 0.000 0.300 382 F C 2.711 178.564 175.800 0.088 0.000 1.090 382 F CA 1.399 59.457 58.000 0.097 0.000 1.293 382 F CB -1.581 37.548 39.000 0.216 0.000 1.013 382 F HN 0.149 nan 8.300 nan 0.000 0.486 383 T N -0.969 113.743 114.554 0.264 0.000 2.857 383 T HA -0.122 4.228 4.350 -0.001 0.000 0.266 383 T C 2.031 176.797 174.700 0.109 0.000 1.048 383 T CA 1.800 64.063 62.100 0.273 0.000 1.139 383 T CB -0.425 68.566 68.868 0.204 0.000 0.874 383 T HN 0.220 nan 8.240 nan 0.000 0.455 384 T N 2.592 117.125 114.554 -0.035 0.000 2.674 384 T HA 0.042 4.392 4.350 -0.001 0.000 0.265 384 T C 2.001 176.543 174.700 -0.263 0.000 1.039 384 T CA 0.900 62.912 62.100 -0.146 0.000 1.150 384 T CB -0.502 68.215 68.868 -0.251 0.000 0.864 384 T HN 0.237 nan 8.240 nan 0.000 0.427 385 L N 0.916 121.877 121.223 -0.436 0.000 2.042 385 L HA -0.163 4.177 4.340 -0.001 0.000 0.210 385 L C 3.074 179.653 176.870 -0.485 0.000 1.076 385 L CA 1.329 55.738 54.840 -0.718 0.000 0.749 385 L CB -0.793 40.431 42.059 -1.392 0.000 0.893 385 L HN 0.251 nan 8.230 nan 0.000 0.432 386 A N -0.554 122.122 122.820 -0.240 0.000 1.892 386 A HA -0.276 4.044 4.320 -0.001 0.000 0.218 386 A C 2.407 179.750 177.584 -0.403 0.000 1.188 386 A CA 2.203 54.185 52.037 -0.092 0.000 0.631 386 A CB -1.282 17.682 19.000 -0.059 0.000 0.822 386 A HN 0.579 nan 8.150 nan 0.000 0.447 387 C N -2.623 116.502 119.300 -0.291 0.000 2.440 387 C HA -0.054 4.406 4.460 -0.001 0.000 0.278 387 C C 2.525 177.313 174.990 -0.337 0.000 1.295 387 C CA 0.910 59.691 59.018 -0.395 0.000 1.738 387 C CB -1.620 26.160 27.740 0.067 0.000 1.987 387 C HN 0.720 nan 8.230 nan 0.000 0.492 388 Y N -0.074 120.010 120.300 -0.359 0.000 2.200 388 Y HA -0.160 4.389 4.550 -0.001 0.000 0.290 388 Y C 2.091 177.723 175.900 -0.446 0.000 1.137 388 Y CA 1.675 59.544 58.100 -0.385 0.000 1.163 388 Y CB -0.369 37.833 38.460 -0.431 0.000 0.988 388 Y HN 0.386 nan 8.280 nan 0.000 0.518 389 Y N 0.424 120.634 120.300 -0.150 0.000 2.500 389 Y HA 0.088 4.639 4.550 0.001 0.000 0.270 389 Y C 0.718 176.509 175.900 -0.181 0.000 1.134 389 Y CA 0.398 58.418 58.100 -0.134 0.000 1.293 389 Y CB -0.417 38.090 38.460 0.078 0.000 1.063 389 Y HN 0.160 nan 8.280 nan 0.000 0.534 390 Q N 0.671 120.306 119.800 -0.275 0.000 2.453 390 Q HA -0.269 4.071 4.340 -0.001 0.000 0.294 390 Q C -0.156 175.847 176.000 0.006 0.000 1.295 390 Q CA 0.873 56.469 55.803 -0.346 0.000 0.853 390 Q CB -1.268 27.416 28.738 -0.090 0.000 1.193 390 Q HN 0.408 nan 8.270 nan 0.000 0.461 391 K N 0.809 121.233 120.400 0.040 0.000 2.513 391 K HA 0.554 4.874 4.320 -0.001 0.000 0.251 391 K C -1.262 175.388 176.600 0.084 0.000 0.939 391 K CA -0.631 55.737 56.287 0.134 0.000 0.793 391 K CB 1.273 33.881 32.500 0.180 0.000 1.241 391 K HN 0.136 nan 8.250 nan 0.000 0.431 392 L N 5.349 126.540 121.223 -0.053 0.000 2.317 392 L HA 0.538 4.878 4.340 -0.001 0.000 0.281 392 L C -2.123 174.615 176.870 -0.221 0.000 1.024 392 L CA -2.250 52.438 54.840 -0.254 0.000 0.810 392 L CB 1.601 43.430 42.059 -0.383 0.000 1.240 392 L HN 0.514 nan 8.230 nan 0.000 0.427 393 P HA 0.274 nan 4.420 nan 0.000 0.277 393 P C -2.726 174.488 177.300 -0.144 0.000 1.240 393 P CA -1.836 61.089 63.100 -0.292 0.000 0.798 393 P CB 0.365 31.855 31.700 -0.348 0.000 0.979 394 P HA 0.144 nan 4.420 nan 0.000 0.278 394 P C -0.518 176.775 177.300 -0.011 0.000 1.258 394 P CA -0.088 62.977 63.100 -0.058 0.000 0.811 394 P CB 0.342 31.998 31.700 -0.073 0.000 1.063 395 T N 2.216 116.802 114.554 0.052 0.000 2.749 395 T HA 0.314 4.663 4.350 -0.001 0.000 0.295 395 T C 0.487 175.205 174.700 0.031 0.000 0.936 395 T CA -0.267 61.880 62.100 0.077 0.000 1.060 395 T CB -0.180 68.806 68.868 0.198 0.000 0.904 395 T HN 0.171 nan 8.240 nan 0.000 0.500 396 L N 3.875 125.091 121.223 -0.010 0.000 2.436 396 L HA 0.261 4.600 4.340 -0.001 0.000 0.265 396 L C 0.938 177.792 176.870 -0.026 0.000 1.168 396 L CA -0.547 54.275 54.840 -0.029 0.000 0.815 396 L CB 0.217 42.243 42.059 -0.054 0.000 1.109 396 L HN 0.723 nan 8.230 nan 0.000 0.462 397 N N 0.368 119.050 118.700 -0.030 0.000 2.828 397 N HA -0.199 4.541 4.740 -0.001 0.000 0.248 397 N C -0.379 175.146 175.510 0.025 0.000 1.044 397 N CA 0.634 53.656 53.050 -0.047 0.000 0.851 397 N CB -1.018 37.394 38.487 -0.125 0.000 1.136 397 N HN 0.308 nan 8.380 nan 0.000 0.572 398 L N 2.569 123.838 121.223 0.076 0.000 2.387 398 L HA 0.216 4.556 4.340 -0.001 0.000 0.267 398 L C 0.820 177.774 176.870 0.140 0.000 1.197 398 L CA 0.161 55.090 54.840 0.148 0.000 1.070 398 L CB 0.157 42.295 42.059 0.132 0.000 1.349 398 L HN 0.075 nan 8.230 nan 0.000 0.422 399 D N 0.559 121.075 120.400 0.193 0.000 2.398 399 D HA 0.130 4.770 4.640 -0.001 0.000 0.210 399 D C 0.278 176.628 176.300 0.083 0.000 1.094 399 D CA 0.118 54.191 54.000 0.121 0.000 0.839 399 D CB -0.273 40.590 40.800 0.105 0.000 0.963 399 D HN 0.369 nan 8.370 nan 0.000 0.506 400 C N -2.646 116.664 119.300 0.015 0.000 3.320 400 C HA 0.913 5.373 4.460 -0.001 0.000 0.335 400 C C -1.050 173.845 174.990 -0.158 0.000 1.430 400 C CA -0.859 58.110 59.018 -0.082 0.000 1.271 400 C CB 1.494 29.166 27.740 -0.113 0.000 1.609 400 C HN 0.012 nan 8.230 nan 0.000 0.457 401 S N -0.047 115.599 115.700 -0.091 0.000 2.536 401 S HA 0.516 4.986 4.470 -0.001 0.000 0.271 401 S C -1.180 173.433 174.600 0.021 0.000 1.134 401 S CA -0.505 57.676 58.200 -0.031 0.000 0.897 401 S CB 1.488 64.751 63.200 0.104 0.000 1.094 401 S HN 0.838 nan 8.310 nan 0.000 0.473 402 E N 1.876 122.126 120.200 0.084 0.000 2.374 402 E HA 0.165 4.515 4.350 -0.001 0.000 0.260 402 E C -1.669 175.050 176.600 0.199 0.000 1.101 402 E CA -1.917 54.576 56.400 0.154 0.000 0.907 402 E CB 0.342 30.195 29.700 0.255 0.000 1.014 402 E HN 0.216 nan 8.360 nan 0.000 0.427 403 P HA -0.185 nan 4.420 nan 0.000 0.218 403 P C 0.142 177.504 177.300 0.105 0.000 1.146 403 P CA 1.318 64.480 63.100 0.103 0.000 0.813 403 P CB 0.211 31.950 31.700 0.066 0.000 0.778 404 E N -1.777 118.476 120.200 0.088 0.000 2.435 404 E HA 0.004 4.354 4.350 -0.001 0.000 0.195 404 E C 0.212 176.732 176.600 -0.133 0.000 1.029 404 E CA 0.350 56.721 56.400 -0.048 0.000 0.865 404 E CB -0.651 28.944 29.700 -0.175 0.000 0.833 404 E HN 0.292 nan 8.360 nan 0.000 0.510 405 F N 2.426 122.445 119.950 0.116 0.000 2.509 405 F HA 0.164 4.691 4.527 -0.001 0.000 0.344 405 F C 0.262 176.235 175.800 0.287 0.000 1.197 405 F CA -0.540 57.574 58.000 0.191 0.000 1.294 405 F CB 0.437 39.479 39.000 0.069 0.000 1.643 405 F HN -0.024 nan 8.300 nan 0.000 0.596 406 D N 0.529 121.090 120.400 0.268 0.000 2.571 406 D HA 0.121 4.761 4.640 -0.001 0.000 0.239 406 D C 0.175 176.495 176.300 0.034 0.000 1.267 406 D CA 0.134 54.238 54.000 0.174 0.000 0.823 406 D CB -0.255 40.655 40.800 0.183 0.000 1.056 406 D HN 0.260 nan 8.370 nan 0.000 0.494 407 L N -0.085 120.907 121.223 -0.385 0.000 2.479 407 L HA 0.292 4.632 4.340 -0.001 0.000 0.249 407 L C 0.738 177.098 176.870 -0.849 0.000 1.178 407 L CA -0.951 53.443 54.840 -0.742 0.000 0.811 407 L CB 0.251 41.684 42.059 -1.045 0.000 1.187 407 L HN -0.087 nan 8.230 nan 0.000 0.480 408 N N -0.089 118.238 118.700 -0.622 0.000 2.439 408 N HA 0.068 4.808 4.740 -0.001 0.000 0.243 408 N C -0.305 174.890 175.510 -0.525 0.000 1.088 408 N CA 0.165 52.962 53.050 -0.421 0.000 0.940 408 N CB 0.110 38.478 38.487 -0.199 0.000 1.180 408 N HN 0.358 nan 8.380 nan 0.000 0.505 409 Y N 2.357 122.573 120.300 -0.140 0.000 2.495 409 Y HA 0.133 4.682 4.550 -0.001 0.000 0.293 409 Y C 1.022 176.891 175.900 -0.051 0.000 1.186 409 Y CA -0.525 57.484 58.100 -0.152 0.000 1.266 409 Y CB 0.233 38.578 38.460 -0.192 0.000 1.101 409 Y HN 0.211 nan 8.280 nan 0.000 0.517 410 V N 0.830 120.751 119.914 0.011 0.000 5.726 410 V HA -0.240 3.880 4.120 -0.001 0.000 0.260 410 V C -2.525 173.601 176.094 0.053 0.000 0.657 410 V CA -0.534 61.772 62.300 0.010 0.000 0.584 410 V CB -1.668 30.141 31.823 -0.023 0.000 0.241 410 V HN 0.243 nan 8.190 nan 0.000 0.652 411 P HA 0.402 nan 4.420 nan 0.000 0.271 411 P C 1.086 178.411 177.300 0.041 0.000 1.226 411 P CA 0.329 63.480 63.100 0.085 0.000 0.765 411 P CB 1.556 33.318 31.700 0.103 0.000 0.835 412 L N -0.622 120.615 121.223 0.022 0.000 3.570 412 L HA -0.253 4.086 4.340 -0.001 0.000 0.382 412 L C 0.473 177.327 176.870 -0.027 0.000 0.698 412 L CA 1.705 56.543 54.840 -0.003 0.000 2.990 412 L CB -1.123 40.941 42.059 0.007 0.000 0.731 412 L HN 0.459 nan 8.230 nan 0.000 0.725 413 K N 0.412 120.799 120.400 -0.022 0.000 2.378 413 K HA 0.720 5.039 4.320 -0.001 0.000 0.252 413 K C -0.150 176.421 176.600 -0.048 0.000 0.931 413 K CA 0.315 56.578 56.287 -0.039 0.000 0.794 413 K CB 1.950 34.437 32.500 -0.021 0.000 1.181 413 K HN 0.148 nan 8.250 nan 0.000 0.425 414 A N 2.706 125.473 122.820 -0.088 0.000 2.492 414 A HA 0.130 4.450 4.320 -0.001 0.000 0.236 414 A C -0.376 177.187 177.584 -0.035 0.000 1.078 414 A CA 0.362 52.337 52.037 -0.102 0.000 0.773 414 A CB 0.207 19.099 19.000 -0.181 0.000 1.023 414 A HN 0.669 nan 8.150 nan 0.000 0.504 415 Q N 0.385 120.184 119.800 -0.001 0.000 2.271 415 Q HA 0.276 4.616 4.340 -0.001 0.000 0.268 415 Q C -1.200 174.898 176.000 0.163 0.000 1.021 415 Q CA -0.478 55.385 55.803 0.100 0.000 0.802 415 Q CB 2.279 31.124 28.738 0.178 0.000 1.282 415 Q HN 0.853 nan 8.270 nan 0.000 0.431 416 E N 1.511 121.810 120.200 0.165 0.000 2.398 416 E HA 0.028 4.378 4.350 -0.001 0.000 0.263 416 E C -0.806 176.006 176.600 0.353 0.000 1.046 416 E CA 0.325 56.847 56.400 0.203 0.000 0.908 416 E CB 0.973 30.741 29.700 0.114 0.000 0.963 416 E HN 0.529 nan 8.360 nan 0.000 0.431 417 W N 4.476 125.837 121.300 0.101 0.000 1.067 417 W HA 0.141 4.800 4.660 -0.001 0.000 0.313 417 W C -0.824 175.845 176.519 0.250 0.000 0.868 417 W CA -0.369 57.081 57.345 0.175 0.000 1.561 417 W CB 0.392 30.006 29.460 0.257 0.000 1.608 417 W HN 0.423 nan 8.180 nan 0.000 0.485 418 K N 1.268 121.757 120.400 0.149 0.000 2.219 418 K HA 0.494 4.814 4.320 -0.001 0.000 0.258 418 K C 0.338 176.981 176.600 0.071 0.000 1.008 418 K CA 0.633 56.997 56.287 0.129 0.000 0.928 418 K CB 1.326 33.858 32.500 0.053 0.000 0.983 418 K HN -0.042 nan 8.250 nan 0.000 0.484 419 T N -0.666 113.958 114.554 0.117 0.000 2.843 419 T HA 0.246 4.595 4.350 -0.001 0.000 0.302 419 T C 0.795 175.529 174.700 0.057 0.000 1.232 419 T CA -0.692 61.443 62.100 0.059 0.000 1.009 419 T CB 1.573 70.485 68.868 0.074 0.000 1.254 419 T HN 0.611 nan 8.240 nan 0.000 0.504 420 E N -0.319 119.899 120.200 0.031 0.000 2.318 420 E HA 0.345 4.695 4.350 -0.001 0.000 0.193 420 E C 1.100 177.724 176.600 0.039 0.000 0.998 420 E CA 1.000 57.418 56.400 0.029 0.000 0.859 420 E CB -0.718 28.991 29.700 0.015 0.000 0.812 420 E HN 0.958 nan 8.360 nan 0.000 0.492 421 K N 0.408 120.835 120.400 0.044 0.000 2.187 421 K HA 0.449 4.769 4.320 -0.001 0.000 0.247 421 K C 0.387 177.036 176.600 0.082 0.000 1.019 421 K CA 0.008 56.325 56.287 0.051 0.000 0.893 421 K CB -0.003 32.523 32.500 0.042 0.000 1.025 421 K HN 0.458 nan 8.250 nan 0.000 0.500 422 R N -0.081 120.465 120.500 0.077 0.000 2.491 422 R HA 0.263 4.602 4.340 -0.001 0.000 0.283 422 R C -0.823 175.571 176.300 0.156 0.000 1.072 422 R CA -0.240 55.925 56.100 0.109 0.000 1.048 422 R CB -0.067 30.279 30.300 0.076 0.000 0.983 422 R HN 0.603 nan 8.270 nan 0.000 0.450 423 F N 6.862 126.853 119.950 0.069 0.000 2.434 423 F HA 0.300 4.827 4.527 -0.000 0.000 0.358 423 F C -0.565 175.294 175.800 0.098 0.000 1.136 423 F CA -0.344 57.721 58.000 0.108 0.000 1.157 423 F CB 0.271 39.336 39.000 0.109 0.000 1.167 423 F HN 0.331 nan 8.300 nan 0.000 0.539 424 I N 5.495 126.071 120.570 0.009 0.000 2.404 424 I HA 0.544 4.713 4.170 -0.001 0.000 0.293 424 I C 0.470 176.602 176.117 0.024 0.000 0.992 424 I CA -0.720 60.624 61.300 0.072 0.000 1.149 424 I CB 1.560 39.586 38.000 0.043 0.000 1.315 424 I HN 0.642 nan 8.210 nan 0.000 0.446 425 G N 6.101 114.989 108.800 0.146 0.000 2.498 425 G HA2 0.806 4.766 3.960 -0.001 0.000 0.312 425 G HA3 0.806 4.766 3.960 -0.001 0.000 0.312 425 G C -1.107 173.825 174.900 0.053 0.000 1.230 425 G CA -0.624 44.562 45.100 0.143 0.000 0.968 425 G HN 0.413 nan 8.290 nan 0.000 0.481 426 L N -0.018 121.188 121.223 -0.029 0.000 2.333 426 L HA 0.727 5.066 4.340 -0.001 0.000 0.269 426 L C -0.088 176.725 176.870 -0.095 0.000 1.010 426 L CA -0.861 53.960 54.840 -0.031 0.000 0.818 426 L CB 2.671 44.736 42.059 0.010 0.000 1.306 426 L HN 0.541 nan 8.230 nan 0.000 0.430 427 T N 0.991 115.506 114.554 -0.065 0.000 2.881 427 T HA 0.446 4.796 4.350 -0.001 0.000 0.291 427 T C -0.892 173.744 174.700 -0.108 0.000 0.990 427 T CA -0.668 61.376 62.100 -0.093 0.000 0.976 427 T CB 0.668 69.494 68.868 -0.069 0.000 0.970 427 T HN 0.481 nan 8.240 nan 0.000 0.438 428 N N 2.504 121.103 118.700 -0.169 0.000 2.405 428 N HA 0.631 5.370 4.740 -0.001 0.000 0.299 428 N C -1.162 174.021 175.510 -0.544 0.000 1.075 428 N CA -0.567 52.289 53.050 -0.323 0.000 0.884 428 N CB 1.983 40.262 38.487 -0.347 0.000 1.194 428 N HN 0.475 nan 8.380 nan 0.000 0.491 429 S N 1.290 116.547 115.700 -0.738 0.000 2.736 429 S HA 0.599 5.068 4.470 -0.001 0.000 0.285 429 S C -1.363 172.700 174.600 -0.894 0.000 1.163 429 S CA -0.590 57.135 58.200 -0.791 0.000 1.025 429 S CB 0.329 63.300 63.200 -0.382 0.000 1.030 429 S HN 0.296 nan 8.310 nan 0.000 0.486 430 F N 0.908 120.304 119.950 -0.924 0.000 2.561 430 F HA 0.909 5.435 4.527 -0.000 0.000 0.321 430 F C 0.746 176.308 175.800 -0.397 0.000 1.065 430 F CA -1.116 56.573 58.000 -0.519 0.000 0.934 430 F CB 1.711 40.510 39.000 -0.336 0.000 1.215 430 F HN 0.628 nan 8.300 nan 0.000 0.471 431 G N 0.302 109.165 108.800 0.104 0.000 2.690 431 G HA2 0.562 4.521 3.960 -0.001 0.000 0.291 431 G HA3 0.562 4.521 3.960 -0.001 0.000 0.291 431 G C -1.677 173.419 174.900 0.327 0.000 1.403 431 G CA -0.761 44.436 45.100 0.160 0.000 0.864 431 G HN 0.224 nan 8.290 nan 0.000 0.480 432 F N 0.734 120.767 119.950 0.137 0.000 2.635 432 F HA 0.348 4.875 4.527 -0.000 0.000 0.379 432 F C 1.707 177.563 175.800 0.094 0.000 1.094 432 F CA 1.322 59.403 58.000 0.135 0.000 1.300 432 F CB 0.853 39.944 39.000 0.151 0.000 1.035 432 F HN 1.196 nan 8.300 nan 0.000 0.581 433 G N 1.321 110.245 108.800 0.206 0.000 2.175 433 G HA2 -0.003 3.957 3.960 -0.001 0.000 0.244 433 G HA3 -0.003 3.957 3.960 -0.001 0.000 0.244 433 G C 0.973 175.930 174.900 0.095 0.000 0.982 433 G CA 0.354 45.520 45.100 0.110 0.000 0.641 433 G HN 1.898 nan 8.290 nan 0.000 0.527 434 G N -0.982 107.891 108.800 0.122 0.000 2.203 434 G HA2 0.007 3.967 3.960 -0.001 0.000 0.263 434 G HA3 0.007 3.967 3.960 -0.001 0.000 0.263 434 G C 0.528 175.483 174.900 0.093 0.000 1.012 434 G CA 1.520 46.676 45.100 0.093 0.000 0.749 434 G HN 2.040 nan 8.290 nan 0.000 0.512 435 T N 0.753 115.385 114.554 0.130 0.000 2.761 435 T HA 0.499 4.849 4.350 -0.001 0.000 0.296 435 T C 0.186 174.978 174.700 0.152 0.000 0.934 435 T CA -0.308 61.882 62.100 0.150 0.000 1.091 435 T CB 0.089 69.074 68.868 0.195 0.000 0.896 435 T HN 0.342 nan 8.240 nan 0.000 0.515 436 N N 3.242 122.034 118.700 0.153 0.000 2.314 436 N HA 0.717 5.457 4.740 -0.001 0.000 0.304 436 N C -1.154 174.433 175.510 0.128 0.000 1.073 436 N CA -0.643 52.531 53.050 0.207 0.000 0.822 436 N CB 2.093 40.694 38.487 0.191 0.000 1.280 436 N HN 0.746 nan 8.380 nan 0.000 0.489 437 A N 0.600 123.454 122.820 0.057 0.000 2.515 437 A HA 0.763 5.082 4.320 -0.001 0.000 0.298 437 A C -0.794 176.820 177.584 0.049 0.000 1.059 437 A CA -0.520 51.535 52.037 0.030 0.000 0.698 437 A CB 1.472 20.390 19.000 -0.137 0.000 1.289 437 A HN 0.443 nan 8.150 nan 0.000 0.404 438 T N 1.807 116.430 114.554 0.114 0.000 2.876 438 T HA 0.621 4.970 4.350 -0.001 0.000 0.289 438 T C -0.699 174.078 174.700 0.128 0.000 1.014 438 T CA -0.223 61.930 62.100 0.088 0.000 0.986 438 T CB 0.902 69.835 68.868 0.109 0.000 1.021 438 T HN 0.482 nan 8.240 nan 0.000 0.458 439 L N 1.679 122.927 121.223 0.042 0.000 2.334 439 L HA 0.638 4.978 4.340 -0.001 0.000 0.276 439 L C -0.116 176.743 176.870 -0.019 0.000 1.014 439 L CA -0.896 53.947 54.840 0.004 0.000 0.815 439 L CB 1.605 43.614 42.059 -0.084 0.000 1.268 439 L HN 0.655 nan 8.230 nan 0.000 0.428 440 C N 5.190 124.462 119.300 -0.046 0.000 2.281 440 C HA 0.725 5.185 4.460 -0.001 0.000 0.323 440 C C -0.256 174.676 174.990 -0.098 0.000 1.270 440 C CA -0.465 58.530 59.018 -0.038 0.000 1.559 440 C CB -0.755 26.979 27.740 -0.009 0.000 2.239 440 C HN 0.683 nan 8.230 nan 0.000 0.488 441 I N 5.409 125.954 120.570 -0.042 0.000 2.582 441 I HA 0.674 4.844 4.170 -0.001 0.000 0.292 441 I C 0.045 176.187 176.117 0.042 0.000 1.066 441 I CA -0.210 61.063 61.300 -0.045 0.000 1.053 441 I CB 1.928 39.904 38.000 -0.041 0.000 1.241 441 I HN 0.766 nan 8.210 nan 0.000 0.421 442 A N 3.800 126.638 122.820 0.029 0.000 2.414 442 A HA 0.846 5.166 4.320 -0.001 0.000 0.306 442 A C -0.108 177.525 177.584 0.081 0.000 1.054 442 A CA -0.588 51.502 52.037 0.089 0.000 0.724 442 A CB 1.420 20.447 19.000 0.046 0.000 1.267 442 A HN 0.796 nan 8.150 nan 0.000 0.418 443 G N 0.347 109.232 108.800 0.143 0.000 2.594 443 G HA2 0.475 4.435 3.960 -0.001 0.000 0.243 443 G HA3 0.475 4.435 3.960 -0.001 0.000 0.243 443 G C 0.174 175.105 174.900 0.051 0.000 1.229 443 G CA -0.466 44.685 45.100 0.085 0.000 0.843 443 G HN 0.737 nan 8.290 nan 0.000 0.578 444 L N 0.000 121.239 121.223 0.026 0.000 2.949 444 L HA 0.000 4.340 4.340 -0.001 0.000 0.249 444 L CA 0.000 54.847 54.840 0.011 0.000 0.813 444 L CB 0.000 42.068 42.059 0.014 0.000 0.961 444 L HN 0.000 nan 8.230 nan 0.000 0.502