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 3g0y_1_A DATA FIRST_RESID 2 DATA SEQUENCE KRRVVVTGLG MLSPVGNTVE STWKALLAGQ SGISLIDHFD TSAYATKFAG DATA SEQUENCE LVKDFNCEDI ISRKEQRKMD AFIQYGIVAG VQAMQDSGLE ITEENATRIG DATA SEQUENCE AAIGSGIGGL GLIEENHTSL MNGGPRKISP FFVPSTIVNM VAGHLTIMYG DATA SEQUENCE LRGPSISIAT AQTSGVHNIG HAARIIAYGD ADVMVAGGAE KASTPLGVGG DATA SEQUENCE FGAARALSTR NDNPQAASRP WDKERDGFVL GDGAGMLVLE EYEHAKKRGA DATA SEQUENCE KIYAELVGFG MSSDAYHMTS PPENGAGAAL AMANALRDAG IEASQIGYVN DATA SEQUENCE AHGTSTPAGD KAEAQAVKTI FGEAASRVLV SSTKSMTGHL LGAAGAVESI DATA SEQUENCE YSILALRDQA VPPTINLDNP DEGCDLDFVP HEARQVSGME YTLCNSFGFG DATA SEQUENCE GTNGSLIFKK I 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 2 K HA 0.000 nan 4.320 nan 0.000 0.191 2 K C 0.000 176.624 176.600 0.039 0.000 0.988 2 K CA 0.000 56.300 56.287 0.022 0.000 0.838 2 K CB 0.000 32.516 32.500 0.027 0.000 1.064 3 R N 3.113 123.636 120.500 0.039 0.000 2.229 3 R HA 0.441 4.782 4.340 0.002 0.000 0.332 3 R C -0.019 176.319 176.300 0.063 0.000 0.989 3 R CA -0.704 55.431 56.100 0.058 0.000 0.842 3 R CB 1.217 31.546 30.300 0.048 0.000 1.119 3 R HN 0.294 nan 8.270 nan 0.000 0.456 4 R N 1.467 122.019 120.500 0.086 0.000 2.459 4 R HA 0.402 4.743 4.340 0.002 0.000 0.281 4 R C -0.412 175.925 176.300 0.062 0.000 1.050 4 R CA -0.674 55.458 56.100 0.055 0.000 1.055 4 R CB 1.006 31.320 30.300 0.023 0.000 1.045 4 R HN 0.189 nan 8.270 nan 0.000 0.495 5 V N 2.642 122.570 119.914 0.023 0.000 2.628 5 V HA 0.513 4.635 4.120 0.002 0.000 0.306 5 V C -0.077 176.030 176.094 0.022 0.000 1.045 5 V CA -0.724 61.595 62.300 0.033 0.000 0.905 5 V CB 1.770 33.603 31.823 0.017 0.000 0.997 5 V HN 0.661 nan 8.190 nan 0.000 0.436 6 V N 1.893 121.840 119.914 0.055 0.000 3.078 6 V HA 0.772 4.893 4.120 0.002 0.000 0.311 6 V C -0.679 175.472 176.094 0.095 0.000 1.138 6 V CA -0.907 61.431 62.300 0.064 0.000 1.007 6 V CB 2.072 33.929 31.823 0.057 0.000 1.045 6 V HN 0.480 nan 8.190 nan 0.000 0.432 7 V N 2.343 122.328 119.914 0.118 0.000 2.383 7 V HA 0.516 4.638 4.120 0.002 0.000 0.275 7 V C 1.147 177.358 176.094 0.195 0.000 1.036 7 V CA 0.620 63.004 62.300 0.139 0.000 0.889 7 V CB 0.864 32.751 31.823 0.108 0.000 0.985 7 V HN 1.195 nan 8.190 nan 0.000 0.459 8 T N -0.033 114.625 114.554 0.174 0.000 3.170 8 T HA 0.531 4.882 4.350 0.002 0.000 0.288 8 T C 0.381 175.193 174.700 0.187 0.000 0.992 8 T CA 0.246 62.427 62.100 0.136 0.000 0.909 8 T CB 0.347 69.264 68.868 0.082 0.000 1.133 8 T HN 1.091 nan 8.240 nan 0.000 0.530 9 G N 0.935 109.901 108.800 0.277 0.000 2.716 9 G HA2 0.549 4.510 3.960 0.002 0.000 0.299 9 G HA3 0.549 4.510 3.960 0.002 0.000 0.299 9 G C -1.921 173.017 174.900 0.064 0.000 1.450 9 G CA -0.880 44.351 45.100 0.219 0.000 0.968 9 G HN 0.351 nan 8.290 nan 0.000 0.566 10 L N 0.776 121.993 121.223 -0.010 0.000 2.388 10 L HA 0.932 5.273 4.340 0.002 0.000 0.264 10 L C 0.396 177.222 176.870 -0.074 0.000 0.998 10 L CA -0.891 53.858 54.840 -0.152 0.000 0.817 10 L CB 2.745 44.561 42.059 -0.405 0.000 1.338 10 L HN 0.857 nan 8.230 nan 0.000 0.414 11 G N 2.131 110.891 108.800 -0.067 0.000 2.706 11 G HA2 0.768 4.729 3.960 0.002 0.000 0.297 11 G HA3 0.768 4.729 3.960 0.002 0.000 0.297 11 G C -1.696 173.190 174.900 -0.023 0.000 1.403 11 G CA -0.451 44.635 45.100 -0.023 0.000 0.954 11 G HN 0.561 nan 8.290 nan 0.000 0.500 12 M N 1.567 121.169 119.600 0.002 0.000 2.449 12 M HA 0.631 5.113 4.480 0.002 0.000 0.291 12 M C -2.363 173.949 176.300 0.020 0.000 1.148 12 M CA -0.683 54.623 55.300 0.009 0.000 0.925 12 M CB 1.812 34.420 32.600 0.015 0.000 1.767 12 M HN 0.411 nan 8.290 nan 0.000 0.503 13 L N 3.457 124.680 121.223 0.000 0.000 2.385 13 L HA 0.884 5.225 4.340 0.002 0.000 0.273 13 L C -0.721 176.120 176.870 -0.049 0.000 0.990 13 L CA -0.405 54.407 54.840 -0.046 0.000 0.821 13 L CB 2.304 44.272 42.059 -0.152 0.000 1.279 13 L HN 0.986 nan 8.230 nan 0.000 0.412 14 S N 1.818 117.502 115.700 -0.026 0.000 2.656 14 S HA 0.586 5.057 4.470 0.002 0.000 0.273 14 S C -2.657 171.946 174.600 0.005 0.000 1.168 14 S CA -1.107 57.101 58.200 0.014 0.000 0.817 14 S CB 2.059 65.317 63.200 0.096 0.000 1.146 14 S HN 0.262 nan 8.310 nan 0.000 0.475 15 P HA 0.078 nan 4.420 nan 0.000 0.229 15 P C 1.088 178.404 177.300 0.027 0.000 1.160 15 P CA 0.842 63.962 63.100 0.033 0.000 0.777 15 P CB -0.067 31.665 31.700 0.054 0.000 0.814 16 V N -5.669 114.261 119.914 0.028 0.000 3.380 16 V HA 0.697 4.819 4.120 0.002 0.000 0.307 16 V C 0.427 176.531 176.094 0.017 0.000 1.434 16 V CA 0.174 62.482 62.300 0.014 0.000 1.075 16 V CB 0.056 31.876 31.823 -0.005 0.000 0.954 16 V HN 0.058 nan 8.190 nan 0.000 0.444 17 G N 0.392 109.208 108.800 0.025 0.000 2.443 17 G HA2 0.265 4.226 3.960 0.002 0.000 0.303 17 G HA3 0.265 4.226 3.960 0.002 0.000 0.303 17 G C -0.926 173.991 174.900 0.028 0.000 1.613 17 G CA -0.487 44.630 45.100 0.029 0.000 0.879 17 G HN -0.030 nan 8.290 nan 0.000 0.632 18 N N 0.203 118.917 118.700 0.024 0.000 2.313 18 N HA 0.240 4.981 4.740 0.002 0.000 0.207 18 N C 0.644 176.172 175.510 0.030 0.000 1.141 18 N CA 0.703 53.768 53.050 0.025 0.000 0.830 18 N CB 0.945 39.447 38.487 0.025 0.000 1.008 18 N HN 0.952 nan 8.380 nan 0.000 0.481 19 T N -5.212 109.364 114.554 0.036 0.000 2.821 19 T HA 0.335 4.686 4.350 0.002 0.000 0.306 19 T C 1.028 175.758 174.700 0.051 0.000 1.313 19 T CA -0.743 61.379 62.100 0.038 0.000 1.012 19 T CB 0.925 69.813 68.868 0.034 0.000 1.298 19 T HN -0.267 nan 8.240 nan 0.000 0.502 20 V N 1.498 121.435 119.914 0.037 0.000 2.220 20 V HA -0.133 3.988 4.120 0.002 0.000 0.246 20 V C 2.821 178.963 176.094 0.079 0.000 1.049 20 V CA 2.099 64.418 62.300 0.032 0.000 1.003 20 V CB -0.777 31.020 31.823 -0.043 0.000 0.634 20 V HN 0.918 nan 8.190 nan 0.000 0.444 21 E N 0.907 121.151 120.200 0.073 0.000 2.085 21 E HA -0.184 4.168 4.350 0.002 0.000 0.194 21 E C 2.462 179.139 176.600 0.128 0.000 0.994 21 E CA 1.815 58.285 56.400 0.117 0.000 0.801 21 E CB -0.636 29.120 29.700 0.094 0.000 0.743 21 E HN 0.787 nan 8.360 nan 0.000 0.453 22 S N 0.332 116.083 115.700 0.084 0.000 2.383 22 S HA -0.103 4.368 4.470 0.002 0.000 0.227 22 S C 2.168 176.808 174.600 0.065 0.000 1.026 22 S CA 1.537 59.773 58.200 0.061 0.000 0.981 22 S CB -0.652 62.571 63.200 0.040 0.000 0.818 22 S HN 0.124 nan 8.310 nan 0.000 0.472 23 T N 0.943 115.554 114.554 0.095 0.000 2.777 23 T HA -0.076 4.276 4.350 0.002 0.000 0.266 23 T C 1.281 176.046 174.700 0.107 0.000 1.040 23 T CA 1.165 63.324 62.100 0.098 0.000 1.141 23 T CB -0.457 68.499 68.868 0.148 0.000 0.868 23 T HN 0.633 nan 8.240 nan 0.000 0.444 24 W N 2.261 123.522 121.300 -0.066 0.000 2.381 24 W HA -0.153 4.508 4.660 0.002 0.000 0.301 24 W C 2.379 178.840 176.519 -0.097 0.000 1.205 24 W CA 1.354 58.635 57.345 -0.107 0.000 1.285 24 W CB -0.127 29.303 29.460 -0.049 0.000 1.133 24 W HN 0.205 nan 8.180 nan 0.000 0.521 25 K N 0.920 121.331 120.400 0.018 0.000 2.032 25 K HA -0.216 4.105 4.320 0.002 0.000 0.209 25 K C 2.165 178.667 176.600 -0.163 0.000 1.048 25 K CA 2.423 58.648 56.287 -0.104 0.000 0.927 25 K CB -0.702 31.788 32.500 -0.017 0.000 0.712 25 K HN 0.023 nan 8.250 nan 0.000 0.441 26 A N 1.041 123.797 122.820 -0.107 0.000 1.902 26 A HA -0.115 4.207 4.320 0.002 0.000 0.217 26 A C 2.189 179.669 177.584 -0.173 0.000 1.181 26 A CA 1.597 53.567 52.037 -0.111 0.000 0.623 26 A CB -0.681 18.281 19.000 -0.064 0.000 0.818 26 A HN 0.366 nan 8.150 nan 0.000 0.443 27 L N -0.835 120.241 121.223 -0.245 0.000 2.046 27 L HA -0.152 4.190 4.340 0.002 0.000 0.208 27 L C 2.469 179.105 176.870 -0.390 0.000 1.077 27 L CA 1.037 55.683 54.840 -0.323 0.000 0.747 27 L CB -0.509 41.288 42.059 -0.437 0.000 0.896 27 L HN 0.361 nan 8.230 nan 0.000 0.432 28 L N -0.376 120.524 121.223 -0.538 0.000 2.275 28 L HA -0.093 4.248 4.340 0.002 0.000 0.215 28 L C 2.295 178.992 176.870 -0.288 0.000 1.119 28 L CA 0.645 55.182 54.840 -0.505 0.000 0.790 28 L CB -0.451 41.220 42.059 -0.648 0.000 0.919 28 L HN 0.208 nan 8.230 nan 0.000 0.443 29 A N -0.332 122.351 122.820 -0.228 0.000 2.337 29 A HA 0.340 4.661 4.320 0.002 0.000 0.227 29 A C 1.650 179.167 177.584 -0.113 0.000 1.259 29 A CA 0.484 52.434 52.037 -0.145 0.000 0.870 29 A CB -0.563 18.367 19.000 -0.117 0.000 0.927 29 A HN 0.448 nan 8.150 nan 0.000 0.497 30 G N -0.162 108.561 108.800 -0.128 0.000 2.258 30 G HA2 -0.301 3.661 3.960 0.002 0.000 0.274 30 G HA3 -0.301 3.661 3.960 0.002 0.000 0.274 30 G C 0.036 174.896 174.900 -0.067 0.000 1.021 30 G CA 0.618 45.665 45.100 -0.087 0.000 0.798 30 G HN 0.729 nan 8.290 nan 0.000 0.507 31 Q N -0.105 119.649 119.800 -0.077 0.000 2.299 31 Q HA 0.543 4.884 4.340 0.002 0.000 0.246 31 Q C 0.419 176.393 176.000 -0.045 0.000 0.935 31 Q CA 0.165 55.935 55.803 -0.055 0.000 0.887 31 Q CB 1.505 30.211 28.738 -0.052 0.000 1.223 31 Q HN 0.294 nan 8.270 nan 0.000 0.439 32 S N 0.173 115.854 115.700 -0.031 0.000 2.525 32 S HA 0.558 5.030 4.470 0.002 0.000 0.290 32 S C 0.472 175.066 174.600 -0.010 0.000 1.152 32 S CA -0.409 57.779 58.200 -0.021 0.000 1.072 32 S CB 1.030 64.215 63.200 -0.025 0.000 1.027 32 S HN 0.765 nan 8.310 nan 0.000 0.500 33 G N 3.537 112.341 108.800 0.006 0.000 3.393 33 G HA2 0.230 4.192 3.960 0.002 0.000 0.255 33 G HA3 0.230 4.192 3.960 0.002 0.000 0.255 33 G C 0.122 175.044 174.900 0.036 0.000 1.097 33 G CA -0.252 44.859 45.100 0.019 0.000 0.780 33 G HN 0.617 nan 8.290 nan 0.000 0.540 34 I N 2.527 123.117 120.570 0.033 0.000 2.496 34 I HA 0.377 4.549 4.170 0.002 0.000 0.285 34 I C 0.580 176.719 176.117 0.036 0.000 1.080 34 I CA -0.538 60.798 61.300 0.059 0.000 1.404 34 I CB 0.351 38.382 38.000 0.052 0.000 1.403 34 I HN 0.164 nan 8.210 nan 0.000 0.539 35 S N 6.015 121.761 115.700 0.077 0.000 2.671 35 S HA 0.689 5.160 4.470 0.002 0.000 0.277 35 S C -0.748 173.915 174.600 0.104 0.000 1.165 35 S CA -1.059 57.174 58.200 0.055 0.000 0.822 35 S CB 1.381 64.605 63.200 0.039 0.000 1.150 35 S HN 0.362 nan 8.310 nan 0.000 0.479 36 L N 1.299 122.561 121.223 0.065 0.000 2.397 36 L HA 0.405 4.747 4.340 0.002 0.000 0.271 36 L C -0.060 176.810 176.870 0.001 0.000 1.148 36 L CA -0.588 54.290 54.840 0.063 0.000 0.825 36 L CB 0.199 42.272 42.059 0.022 0.000 1.117 36 L HN 0.582 nan 8.230 nan 0.000 0.456 37 I N 2.712 123.230 120.570 -0.086 0.000 2.634 37 I HA -0.032 4.140 4.170 0.002 0.000 0.284 37 I C 0.455 176.398 176.117 -0.290 0.000 1.124 37 I CA 0.449 61.603 61.300 -0.243 0.000 1.417 37 I CB 0.781 38.427 38.000 -0.589 0.000 1.396 37 I HN 0.764 nan 8.210 nan 0.000 0.571 38 D N 2.456 122.725 120.400 -0.219 0.000 2.348 38 D HA -0.120 4.522 4.640 0.002 0.000 0.283 38 D C 1.436 177.652 176.300 -0.139 0.000 1.096 38 D CA 0.185 54.093 54.000 -0.152 0.000 0.863 38 D CB -0.319 40.469 40.800 -0.020 0.000 1.465 38 D HN 0.655 nan 8.370 nan 0.000 0.515 39 H N 0.762 119.778 119.070 -0.090 0.000 2.567 39 H HA 0.152 4.710 4.556 0.003 0.000 0.276 39 H C -0.297 175.100 175.328 0.116 0.000 1.016 39 H CA 0.251 56.312 56.048 0.023 0.000 1.186 39 H CB -0.639 29.171 29.762 0.081 0.000 1.351 39 H HN 0.299 nan 8.280 nan 0.000 0.605 40 F N -0.859 118.882 119.950 -0.350 0.000 2.641 40 F HA 0.378 4.906 4.527 0.001 0.000 0.308 40 F C -1.185 174.479 175.800 -0.228 0.000 1.105 40 F CA -1.875 55.976 58.000 -0.248 0.000 0.964 40 F CB 1.187 40.021 39.000 -0.277 0.000 1.294 40 F HN -0.243 nan 8.300 nan 0.000 0.442 41 D N 2.054 122.507 120.400 0.088 0.000 2.382 41 D HA 0.140 4.781 4.640 0.002 0.000 0.259 41 D C 1.071 177.387 176.300 0.028 0.000 1.224 41 D CA 0.664 54.680 54.000 0.027 0.000 0.894 41 D CB 1.347 42.205 40.800 0.097 0.000 1.127 41 D HN 0.774 nan 8.370 nan 0.000 0.487 42 T N -0.239 114.239 114.554 -0.126 0.000 3.122 42 T HA 0.042 4.394 4.350 0.002 0.000 0.250 42 T C 1.708 176.520 174.700 0.187 0.000 1.067 42 T CA -0.038 62.021 62.100 -0.069 0.000 0.966 42 T CB -0.002 68.694 68.868 -0.287 0.000 1.002 42 T HN 0.169 nan 8.240 nan 0.000 0.542 43 S N 2.658 118.451 115.700 0.154 0.000 2.380 43 S HA -0.178 4.293 4.470 0.002 0.000 0.229 43 S C 2.388 177.078 174.600 0.150 0.000 1.050 43 S CA 1.572 59.849 58.200 0.128 0.000 1.100 43 S CB -0.875 62.382 63.200 0.096 0.000 0.984 43 S HN 0.829 nan 8.310 nan 0.000 0.434 44 A N -0.137 122.800 122.820 0.196 0.000 2.206 44 A HA 0.203 4.525 4.320 0.002 0.000 0.211 44 A C 0.034 177.599 177.584 -0.031 0.000 1.158 44 A CA 0.222 52.288 52.037 0.049 0.000 0.761 44 A CB -0.352 18.623 19.000 -0.042 0.000 0.801 44 A HN 0.446 nan 8.150 nan 0.000 0.473 45 Y N -1.025 119.302 120.300 0.045 0.000 2.316 45 Y HA 0.435 4.987 4.550 0.002 0.000 0.331 45 Y C 1.446 177.351 175.900 0.009 0.000 1.083 45 Y CA -0.360 57.764 58.100 0.040 0.000 1.206 45 Y CB 1.075 39.586 38.460 0.085 0.000 1.195 45 Y HN 0.126 nan 8.280 nan 0.000 0.497 46 A N 2.043 124.919 122.820 0.094 0.000 2.014 46 A HA -0.011 4.310 4.320 0.002 0.000 0.218 46 A C 0.863 178.467 177.584 0.033 0.000 1.163 46 A CA 1.056 53.122 52.037 0.049 0.000 0.652 46 A CB -0.297 18.712 19.000 0.015 0.000 0.808 46 A HN 0.644 nan 8.150 nan 0.000 0.449 47 T N 0.062 114.620 114.554 0.007 0.000 2.779 47 T HA 0.467 4.819 4.350 0.002 0.000 0.280 47 T C 0.125 174.723 174.700 -0.168 0.000 0.987 47 T CA -0.444 61.541 62.100 -0.193 0.000 0.966 47 T CB 1.406 70.073 68.868 -0.334 0.000 0.933 47 T HN 0.300 nan 8.240 nan 0.000 0.442 48 K N 2.164 122.451 120.400 -0.189 0.000 2.506 48 K HA 0.309 4.630 4.320 0.002 0.000 0.204 48 K C -0.465 176.117 176.600 -0.030 0.000 1.045 48 K CA -0.243 55.993 56.287 -0.084 0.000 1.074 48 K CB 0.440 32.964 32.500 0.040 0.000 0.842 48 K HN 0.608 nan 8.250 nan 0.000 0.514 49 F N -1.077 118.833 119.950 -0.066 0.000 2.675 49 F HA 0.885 5.413 4.527 0.001 0.000 0.324 49 F C -0.895 174.890 175.800 -0.024 0.000 1.106 49 F CA -1.582 56.385 58.000 -0.056 0.000 0.970 49 F CB 1.179 40.157 39.000 -0.037 0.000 1.385 49 F HN -0.175 nan 8.300 nan 0.000 0.489 50 A N -0.268 122.685 122.820 0.222 0.000 2.544 50 A HA 0.640 4.961 4.320 0.002 0.000 0.291 50 A C -1.023 176.662 177.584 0.168 0.000 1.055 50 A CA -0.452 51.675 52.037 0.150 0.000 0.651 50 A CB 0.595 19.644 19.000 0.081 0.000 1.296 50 A HN 1.750 nan 8.150 nan 0.000 0.431 51 G N 0.604 109.488 108.800 0.140 0.000 2.457 51 G HA2 0.554 4.515 3.960 0.002 0.000 0.316 51 G HA3 0.554 4.515 3.960 0.002 0.000 0.316 51 G C -0.386 174.575 174.900 0.101 0.000 1.030 51 G CA -0.121 45.046 45.100 0.112 0.000 1.073 51 G HN 0.632 nan 8.290 nan 0.000 0.430 52 L N 1.684 122.963 121.223 0.093 0.000 2.375 52 L HA 0.424 4.765 4.340 0.002 0.000 0.268 52 L C 0.271 177.169 176.870 0.047 0.000 1.058 52 L CA -1.189 53.703 54.840 0.086 0.000 0.803 52 L CB 1.996 44.115 42.059 0.100 0.000 1.212 52 L HN 0.092 nan 8.230 nan 0.000 0.451 53 V N 1.963 121.889 119.914 0.020 0.000 2.389 53 V HA 0.118 4.240 4.120 0.002 0.000 0.264 53 V C 0.257 176.365 176.094 0.025 0.000 1.049 53 V CA -0.426 61.842 62.300 -0.053 0.000 0.932 53 V CB 0.677 32.304 31.823 -0.326 0.000 1.011 53 V HN 0.565 nan 8.190 nan 0.000 0.475 54 K N 4.146 124.566 120.400 0.033 0.000 2.339 54 K HA 0.199 4.520 4.320 0.002 0.000 0.286 54 K C 0.335 176.975 176.600 0.066 0.000 1.050 54 K CA -0.004 56.314 56.287 0.050 0.000 0.956 54 K CB 0.195 32.716 32.500 0.035 0.000 0.990 54 K HN 0.710 nan 8.250 nan 0.000 0.475 55 D N 2.210 122.657 120.400 0.079 0.000 2.697 55 D HA -0.258 4.383 4.640 0.002 0.000 0.238 55 D C -0.527 175.830 176.300 0.094 0.000 1.152 55 D CA 0.663 54.706 54.000 0.072 0.000 0.666 55 D CB -1.143 39.676 40.800 0.032 0.000 1.037 55 D HN 0.342 nan 8.370 nan 0.000 0.423 56 F N 1.727 121.681 119.950 0.006 0.000 2.529 56 F HA 0.229 4.757 4.527 0.002 0.000 0.365 56 F C 0.554 176.370 175.800 0.026 0.000 1.102 56 F CA -0.135 57.871 58.000 0.010 0.000 1.271 56 F CB 0.512 39.557 39.000 0.076 0.000 1.120 56 F HN 0.016 nan 8.300 nan 0.000 0.579 57 N N 4.353 122.551 118.700 -0.838 0.000 2.397 57 N HA 0.382 5.123 4.740 0.002 0.000 0.291 57 N C -0.485 174.552 175.510 -0.788 0.000 1.065 57 N CA -0.554 52.119 53.050 -0.629 0.000 0.884 57 N CB 1.147 39.466 38.487 -0.281 0.000 1.551 57 N HN 0.725 nan 8.380 nan 0.000 0.487 58 C N 1.206 120.164 119.300 -0.571 0.000 3.785 58 C HA 0.444 4.905 4.460 0.002 0.000 0.312 58 C C 1.732 176.623 174.990 -0.165 0.000 1.566 58 C CA -0.359 58.457 59.018 -0.338 0.000 1.837 58 C CB -0.619 26.999 27.740 -0.203 0.000 2.826 58 C HN 0.760 nan 8.230 nan 0.000 0.667 59 E N 3.253 123.363 120.200 -0.150 0.000 2.197 59 E HA -0.237 4.114 4.350 0.002 0.000 0.205 59 E C 1.534 178.090 176.600 -0.074 0.000 1.029 59 E CA 2.500 58.846 56.400 -0.091 0.000 0.828 59 E CB -0.076 29.577 29.700 -0.078 0.000 0.737 59 E HN 0.864 nan 8.360 nan 0.000 0.464 60 D N -1.415 118.937 120.400 -0.080 0.000 2.348 60 D HA -0.034 4.608 4.640 0.002 0.000 0.211 60 D C 1.664 177.931 176.300 -0.055 0.000 0.998 60 D CA 0.396 54.359 54.000 -0.060 0.000 0.873 60 D CB 0.093 40.858 40.800 -0.058 0.000 0.925 60 D HN 0.350 nan 8.370 nan 0.000 0.524 61 I N -0.341 120.192 120.570 -0.062 0.000 3.718 61 I HA 0.193 4.364 4.170 0.002 0.000 0.297 61 I C 0.646 176.733 176.117 -0.051 0.000 1.220 61 I CA 0.191 61.464 61.300 -0.046 0.000 1.381 61 I CB 0.652 38.636 38.000 -0.028 0.000 1.238 61 I HN -0.215 nan 8.210 nan 0.000 0.448 62 I N 1.055 121.591 120.570 -0.058 0.000 2.498 62 I HA 0.209 4.381 4.170 0.002 0.000 0.290 62 I C 0.003 176.081 176.117 -0.064 0.000 1.032 62 I CA -0.554 60.706 61.300 -0.068 0.000 1.073 62 I CB 2.112 40.071 38.000 -0.069 0.000 1.251 62 I HN -0.009 nan 8.210 nan 0.000 0.426 63 S N 4.348 120.009 115.700 -0.065 0.000 2.585 63 S HA 0.258 4.729 4.470 0.002 0.000 0.273 63 S C 0.876 175.442 174.600 -0.056 0.000 1.339 63 S CA -0.776 57.392 58.200 -0.054 0.000 1.028 63 S CB 0.995 64.166 63.200 -0.048 0.000 0.906 63 S HN 0.586 nan 8.310 nan 0.000 0.528 64 R N 1.092 121.567 120.500 -0.041 0.000 2.237 64 R HA 0.063 4.404 4.340 0.002 0.000 0.219 64 R C 1.906 178.180 176.300 -0.044 0.000 1.080 64 R CA 0.922 57.001 56.100 -0.035 0.000 0.995 64 R CB -0.366 29.923 30.300 -0.019 0.000 0.875 64 R HN 0.677 nan 8.270 nan 0.000 0.462 65 K N 0.637 121.010 120.400 -0.045 0.000 2.025 65 K HA -0.076 4.245 4.320 0.002 0.000 0.207 65 K C 1.644 178.186 176.600 -0.096 0.000 1.049 65 K CA 1.152 57.410 56.287 -0.048 0.000 0.933 65 K CB 0.208 32.690 32.500 -0.030 0.000 0.714 65 K HN 0.010 nan 8.250 nan 0.000 0.438 66 E N 0.499 120.635 120.200 -0.107 0.000 2.158 66 E HA -0.143 4.209 4.350 0.002 0.000 0.191 66 E C 1.943 178.424 176.600 -0.198 0.000 0.982 66 E CA 0.892 57.195 56.400 -0.161 0.000 0.823 66 E CB 0.115 29.730 29.700 -0.142 0.000 0.766 66 E HN 0.388 nan 8.360 nan 0.000 0.468 67 Q N 0.247 119.964 119.800 -0.138 0.000 2.234 67 Q HA -0.119 4.223 4.340 0.002 0.000 0.206 67 Q C 2.201 178.130 176.000 -0.119 0.000 0.980 67 Q CA 0.809 56.543 55.803 -0.114 0.000 0.869 67 Q CB -0.051 28.655 28.738 -0.053 0.000 0.912 67 Q HN 0.050 nan 8.270 nan 0.000 0.436 68 R N 1.340 121.762 120.500 -0.129 0.000 2.189 68 R HA -0.109 4.233 4.340 0.002 0.000 0.223 68 R C 0.646 176.831 176.300 -0.191 0.000 1.092 68 R CA 1.015 57.050 56.100 -0.109 0.000 0.989 68 R CB 0.190 30.444 30.300 -0.077 0.000 0.876 68 R HN 0.180 nan 8.270 nan 0.000 0.457 69 K N 0.593 120.771 120.400 -0.370 0.000 2.500 69 K HA 0.161 4.483 4.320 0.002 0.000 0.206 69 K C 0.110 176.596 176.600 -0.191 0.000 1.034 69 K CA 0.044 56.034 56.287 -0.495 0.000 1.179 69 K CB 0.212 32.182 32.500 -0.884 0.000 0.884 69 K HN 0.177 nan 8.250 nan 0.000 0.493 70 M N -1.125 118.390 119.600 -0.142 0.000 2.365 70 M HA 0.346 4.827 4.480 0.002 0.000 0.287 70 M C -1.566 174.669 176.300 -0.108 0.000 1.154 70 M CA -0.914 54.310 55.300 -0.127 0.000 0.941 70 M CB 1.943 34.408 32.600 -0.225 0.000 1.704 70 M HN -0.190 nan 8.290 nan 0.000 0.479 71 D N 1.869 122.215 120.400 -0.091 0.000 2.357 71 D HA 0.515 5.157 4.640 0.002 0.000 0.242 71 D C 1.320 177.509 176.300 -0.185 0.000 1.153 71 D CA 0.860 54.831 54.000 -0.049 0.000 0.918 71 D CB 1.647 42.531 40.800 0.139 0.000 1.181 71 D HN 0.742 nan 8.370 nan 0.000 0.435 72 A N 2.608 125.297 122.820 -0.217 0.000 1.927 72 A HA -0.220 4.102 4.320 0.002 0.000 0.220 72 A C 1.999 179.152 177.584 -0.718 0.000 1.185 72 A CA 2.016 53.745 52.037 -0.514 0.000 0.639 72 A CB -1.231 17.426 19.000 -0.573 0.000 0.820 72 A HN 0.762 nan 8.150 nan 0.000 0.451 73 F N 0.129 119.784 119.950 -0.491 0.000 2.161 73 F HA -0.149 4.380 4.527 0.002 0.000 0.300 73 F C 1.726 177.418 175.800 -0.180 0.000 1.089 73 F CA 1.655 59.453 58.000 -0.337 0.000 1.282 73 F CB -0.421 38.478 39.000 -0.168 0.000 1.010 73 F HN 0.182 nan 8.300 nan 0.000 0.485 74 I N 0.676 120.638 120.570 -1.012 0.000 2.233 74 I HA -0.232 3.939 4.170 0.002 0.000 0.243 74 I C 2.584 178.504 176.117 -0.328 0.000 1.093 74 I CA 1.283 62.116 61.300 -0.778 0.000 1.380 74 I CB -0.706 36.888 38.000 -0.676 0.000 1.067 74 I HN 0.229 nan 8.210 nan 0.000 0.413 75 Q N 0.023 119.667 119.800 -0.259 0.000 2.077 75 Q HA -0.243 4.098 4.340 0.002 0.000 0.206 75 Q C 2.298 178.389 176.000 0.152 0.000 0.989 75 Q CA 1.759 57.549 55.803 -0.021 0.000 0.853 75 Q CB -0.391 28.380 28.738 0.055 0.000 0.907 75 Q HN 0.456 nan 8.270 nan 0.000 0.418 76 Y N 0.448 120.600 120.300 -0.248 0.000 2.097 76 Y HA -0.151 4.400 4.550 0.002 0.000 0.282 76 Y C 2.642 178.524 175.900 -0.029 0.000 1.152 76 Y CA 1.198 59.164 58.100 -0.224 0.000 1.136 76 Y CB -1.329 36.973 38.460 -0.262 0.000 0.975 76 Y HN 0.194 nan 8.280 nan 0.000 0.498 77 G N -0.236 108.635 108.800 0.118 0.000 2.442 77 G HA2 -0.229 3.733 3.960 0.002 0.000 0.219 77 G HA3 -0.229 3.733 3.960 0.002 0.000 0.219 77 G C 1.884 176.827 174.900 0.072 0.000 1.141 77 G CA 1.046 46.191 45.100 0.076 0.000 0.763 77 G HN 0.407 nan 8.290 nan 0.000 0.554 78 I N 0.086 120.694 120.570 0.062 0.000 2.252 78 I HA -0.132 4.039 4.170 0.002 0.000 0.245 78 I C 2.774 178.963 176.117 0.119 0.000 1.102 78 I CA 0.393 61.741 61.300 0.081 0.000 1.385 78 I CB -0.121 37.900 38.000 0.036 0.000 1.064 78 I HN 0.036 nan 8.210 nan 0.000 0.414 79 V N 0.982 120.993 119.914 0.161 0.000 2.261 79 V HA -0.317 3.804 4.120 0.002 0.000 0.246 79 V C 2.674 178.843 176.094 0.125 0.000 1.047 79 V CA 2.134 64.534 62.300 0.166 0.000 1.015 79 V CB -0.968 31.029 31.823 0.290 0.000 0.642 79 V HN 0.505 nan 8.190 nan 0.000 0.446 80 A N 0.217 123.109 122.820 0.121 0.000 1.972 80 A HA -0.074 4.248 4.320 0.002 0.000 0.219 80 A C 2.348 179.963 177.584 0.051 0.000 1.169 80 A CA 1.852 53.933 52.037 0.073 0.000 0.635 80 A CB -1.028 18.007 19.000 0.059 0.000 0.810 80 A HN 0.557 nan 8.150 nan 0.000 0.446 81 G N -0.944 107.892 108.800 0.061 0.000 2.421 81 G HA2 0.012 3.973 3.960 0.002 0.000 0.217 81 G HA3 0.012 3.973 3.960 0.002 0.000 0.217 81 G C 1.453 176.374 174.900 0.036 0.000 1.143 81 G CA 1.035 46.155 45.100 0.033 0.000 0.784 81 G HN 0.287 nan 8.290 nan 0.000 0.541 82 V N 0.355 120.337 119.914 0.113 0.000 2.307 82 V HA -0.207 3.915 4.120 0.002 0.000 0.245 82 V C 2.870 179.030 176.094 0.110 0.000 1.045 82 V CA 2.013 64.424 62.300 0.186 0.000 1.024 82 V CB -0.551 31.386 31.823 0.189 0.000 0.651 82 V HN 0.382 nan 8.190 nan 0.000 0.449 83 Q N -0.365 119.480 119.800 0.076 0.000 2.133 83 Q HA -0.276 4.065 4.340 0.002 0.000 0.208 83 Q C 2.360 178.382 176.000 0.038 0.000 0.991 83 Q CA 2.086 57.921 55.803 0.054 0.000 0.867 83 Q CB -0.388 28.375 28.738 0.042 0.000 0.911 83 Q HN 0.697 nan 8.270 nan 0.000 0.417 84 A N 0.267 123.096 122.820 0.015 0.000 1.898 84 A HA -0.161 4.160 4.320 0.002 0.000 0.216 84 A C 2.002 179.574 177.584 -0.020 0.000 1.181 84 A CA 1.133 53.167 52.037 -0.005 0.000 0.620 84 A CB -0.312 18.672 19.000 -0.028 0.000 0.819 84 A HN 0.231 nan 8.150 nan 0.000 0.442 85 M N -0.364 119.191 119.600 -0.074 0.000 2.086 85 M HA -0.179 4.302 4.480 0.002 0.000 0.261 85 M C 2.264 178.557 176.300 -0.011 0.000 1.067 85 M CA 1.614 56.824 55.300 -0.151 0.000 1.116 85 M CB -1.535 30.771 32.600 -0.490 0.000 1.348 85 M HN 0.535 nan 8.290 nan 0.000 0.407 86 Q N -0.339 119.495 119.800 0.057 0.000 2.050 86 Q HA -0.220 4.122 4.340 0.002 0.000 0.202 86 Q C 1.733 177.768 176.000 0.058 0.000 0.980 86 Q CA 1.764 57.614 55.803 0.079 0.000 0.840 86 Q CB -0.245 28.546 28.738 0.087 0.000 0.898 86 Q HN 0.455 nan 8.270 nan 0.000 0.424 87 D N -0.242 120.193 120.400 0.059 0.000 2.221 87 D HA -0.144 4.498 4.640 0.002 0.000 0.204 87 D C 1.862 178.206 176.300 0.072 0.000 0.982 87 D CA 1.483 55.529 54.000 0.076 0.000 0.857 87 D CB -0.014 40.849 40.800 0.105 0.000 0.934 87 D HN 0.244 nan 8.370 nan 0.000 0.475 88 S N -1.609 114.125 115.700 0.056 0.000 2.436 88 S HA 0.148 4.619 4.470 0.002 0.000 0.228 88 S C 2.040 176.658 174.600 0.031 0.000 1.014 88 S CA 0.941 59.168 58.200 0.045 0.000 0.950 88 S CB -0.164 63.057 63.200 0.035 0.000 0.784 88 S HN 0.454 nan 8.310 nan 0.000 0.504 89 G N 0.620 109.440 108.800 0.034 0.000 2.184 89 G HA2 -0.274 3.687 3.960 0.002 0.000 0.264 89 G HA3 -0.274 3.687 3.960 0.002 0.000 0.264 89 G C -0.012 174.912 174.900 0.039 0.000 0.975 89 G CA 0.322 45.442 45.100 0.033 0.000 0.642 89 G HN 0.719 nan 8.290 nan 0.000 0.536 90 L N 1.127 122.376 121.223 0.043 0.000 2.525 90 L HA 0.529 4.871 4.340 0.002 0.000 0.278 90 L C 0.398 177.308 176.870 0.068 0.000 1.218 90 L CA 0.528 55.402 54.840 0.057 0.000 0.878 90 L CB 0.575 42.666 42.059 0.054 0.000 1.127 90 L HN 0.280 nan 8.230 nan 0.000 0.492 91 E N 4.613 124.854 120.200 0.069 0.000 2.114 91 E HA 0.341 4.693 4.350 0.002 0.000 0.266 91 E C -0.862 175.787 176.600 0.081 0.000 0.896 91 E CA -0.609 55.835 56.400 0.074 0.000 0.750 91 E CB 0.801 30.531 29.700 0.051 0.000 1.121 91 E HN 0.399 nan 8.360 nan 0.000 0.413 92 I N 3.639 124.269 120.570 0.100 0.000 2.533 92 I HA 0.103 4.274 4.170 0.002 0.000 0.284 92 I C 0.887 177.048 176.117 0.073 0.000 1.109 92 I CA 0.142 61.499 61.300 0.095 0.000 1.412 92 I CB -0.136 37.940 38.000 0.128 0.000 1.396 92 I HN 0.505 nan 8.210 nan 0.000 0.543 93 T N 1.278 115.869 114.554 0.062 0.000 2.858 93 T HA 0.338 4.689 4.350 0.002 0.000 0.285 93 T C 0.758 175.484 174.700 0.044 0.000 1.052 93 T CA -0.667 61.461 62.100 0.047 0.000 1.009 93 T CB 1.989 70.882 68.868 0.041 0.000 1.241 93 T HN 0.639 nan 8.240 nan 0.000 0.542 94 E N -0.329 119.892 120.200 0.034 0.000 2.268 94 E HA -0.110 4.242 4.350 0.002 0.000 0.195 94 E C 1.560 178.179 176.600 0.032 0.000 0.995 94 E CA 0.926 57.345 56.400 0.031 0.000 0.836 94 E CB 0.057 29.772 29.700 0.024 0.000 0.763 94 E HN 0.696 nan 8.360 nan 0.000 0.491 95 E N 0.278 120.499 120.200 0.035 0.000 2.046 95 E HA -0.111 4.240 4.350 0.002 0.000 0.190 95 E C 1.743 178.371 176.600 0.047 0.000 0.982 95 E CA 1.036 57.459 56.400 0.038 0.000 0.800 95 E CB 0.020 29.743 29.700 0.038 0.000 0.756 95 E HN 0.156 nan 8.360 nan 0.000 0.449 96 N N 0.240 118.974 118.700 0.058 0.000 2.039 96 N HA -0.139 4.603 4.740 0.002 0.000 0.193 96 N C 1.614 177.151 175.510 0.046 0.000 1.044 96 N CA 1.506 54.596 53.050 0.067 0.000 0.847 96 N CB -0.808 37.728 38.487 0.082 0.000 1.030 96 N HN 0.201 nan 8.380 nan 0.000 0.422 97 A N 0.248 123.096 122.820 0.046 0.000 1.913 97 A HA -0.340 3.981 4.320 0.002 0.000 0.236 97 A C 2.340 179.942 177.584 0.029 0.000 1.760 97 A CA 3.031 55.093 52.037 0.041 0.000 0.740 97 A CB -1.671 17.354 19.000 0.041 0.000 0.847 97 A HN 0.436 nan 8.150 nan 0.000 0.508 98 T N -0.998 113.572 114.554 0.026 0.000 2.849 98 T HA -0.106 4.245 4.350 0.002 0.000 0.270 98 T C 1.663 176.371 174.700 0.014 0.000 1.066 98 T CA 1.468 63.581 62.100 0.021 0.000 1.130 98 T CB -0.215 68.667 68.868 0.022 0.000 0.864 98 T HN 0.474 nan 8.240 nan 0.000 0.481 99 R N 0.152 120.657 120.500 0.009 0.000 2.393 99 R HA 0.339 4.680 4.340 0.002 0.000 0.244 99 R C -0.150 176.127 176.300 -0.038 0.000 0.920 99 R CA 0.115 56.208 56.100 -0.011 0.000 1.076 99 R CB 0.369 30.661 30.300 -0.013 0.000 1.119 99 R HN 0.388 nan 8.270 nan 0.000 0.524 100 I N -0.175 120.383 120.570 -0.021 0.000 2.436 100 I HA 0.408 4.579 4.170 0.002 0.000 0.289 100 I C 0.424 176.532 176.117 -0.014 0.000 1.010 100 I CA -0.692 60.590 61.300 -0.031 0.000 1.098 100 I CB 2.157 40.143 38.000 -0.024 0.000 1.266 100 I HN -0.029 nan 8.210 nan 0.000 0.434 101 G N 3.972 112.760 108.800 -0.020 0.000 3.183 101 G HA2 0.927 4.889 3.960 0.002 0.000 0.247 101 G HA3 0.927 4.889 3.960 0.002 0.000 0.247 101 G C -1.727 173.164 174.900 -0.015 0.000 1.211 101 G CA -0.531 44.563 45.100 -0.010 0.000 0.835 101 G HN 0.810 nan 8.290 nan 0.000 0.604 102 A N -1.933 120.883 122.820 -0.007 0.000 2.594 102 A HA 0.819 5.140 4.320 0.002 0.000 0.296 102 A C -1.003 176.583 177.584 0.003 0.000 1.061 102 A CA 0.265 52.299 52.037 -0.006 0.000 0.689 102 A CB 1.178 20.178 19.000 -0.001 0.000 1.280 102 A HN 2.222 nan 8.150 nan 0.000 0.406 103 A N 2.107 124.930 122.820 0.006 0.000 2.646 103 A HA 0.702 5.023 4.320 0.002 0.000 0.312 103 A C -0.913 176.685 177.584 0.024 0.000 1.245 103 A CA -0.087 51.960 52.037 0.016 0.000 0.755 103 A CB -0.194 18.817 19.000 0.019 0.000 1.132 103 A HN 0.779 nan 8.150 nan 0.000 0.458 104 I N 2.127 122.718 120.570 0.035 0.000 2.499 104 I HA 0.604 4.776 4.170 0.002 0.000 0.288 104 I C 0.720 176.882 176.117 0.075 0.000 1.048 104 I CA -0.418 60.913 61.300 0.051 0.000 1.062 104 I CB 2.389 40.421 38.000 0.052 0.000 1.238 104 I HN 0.630 nan 8.210 nan 0.000 0.426 105 G N 2.939 111.789 108.800 0.083 0.000 3.209 105 G HA2 0.794 4.755 3.960 0.002 0.000 0.236 105 G HA3 0.794 4.755 3.960 0.002 0.000 0.236 105 G C -1.254 173.711 174.900 0.109 0.000 1.329 105 G CA -0.536 44.619 45.100 0.092 0.000 1.015 105 G HN 0.524 nan 8.290 nan 0.000 0.571 106 S N -3.113 112.616 115.700 0.049 0.000 2.578 106 S HA 0.527 4.998 4.470 0.002 0.000 0.272 106 S C 0.825 175.378 174.600 -0.078 0.000 1.145 106 S CA 0.586 58.770 58.200 -0.026 0.000 0.835 106 S CB 0.989 64.098 63.200 -0.152 0.000 1.104 106 S HN 1.278 nan 8.310 nan 0.000 0.458 107 G N 1.545 110.283 108.800 -0.103 0.000 2.425 107 G HA2 0.123 4.084 3.960 0.002 0.000 0.213 107 G HA3 0.123 4.084 3.960 0.002 0.000 0.213 107 G C 0.994 175.832 174.900 -0.104 0.000 1.201 107 G CA 0.961 46.011 45.100 -0.084 0.000 0.799 107 G HN 0.690 nan 8.290 nan 0.000 0.534 108 I N -0.069 120.406 120.570 -0.159 0.000 4.139 108 I HA 0.305 4.477 4.170 0.002 0.000 0.320 108 I C 1.540 177.473 176.117 -0.307 0.000 1.290 108 I CA 0.425 61.626 61.300 -0.166 0.000 1.253 108 I CB 0.002 37.952 38.000 -0.084 0.000 1.122 108 I HN 0.422 nan 8.210 nan 0.000 0.421 109 G N 1.660 110.097 108.800 -0.605 0.000 2.542 109 G HA2 -0.234 3.727 3.960 0.002 0.000 0.235 109 G HA3 -0.234 3.727 3.960 0.002 0.000 0.235 109 G C 0.485 174.904 174.900 -0.803 0.000 1.286 109 G CA -0.328 44.099 45.100 -1.122 0.000 0.904 109 G HN 0.483 nan 8.290 nan 0.000 0.577 110 G N 0.003 108.614 108.800 -0.315 0.000 3.090 110 G HA2 0.450 4.411 3.960 0.002 0.000 0.259 110 G HA3 0.450 4.411 3.960 0.002 0.000 0.259 110 G C 1.478 176.398 174.900 0.033 0.000 0.797 110 G CA 0.543 45.702 45.100 0.098 0.000 2.032 110 G HN 0.738 nan 8.290 nan 0.000 0.614 111 L N 0.702 121.912 121.223 -0.021 0.000 2.013 111 L HA -0.113 4.228 4.340 0.002 0.000 0.212 111 L C 3.083 179.975 176.870 0.037 0.000 1.073 111 L CA 1.501 56.343 54.840 0.003 0.000 0.753 111 L CB -0.329 41.722 42.059 -0.013 0.000 0.890 111 L HN 0.464 nan 8.230 nan 0.000 0.432 112 G N -0.355 108.469 108.800 0.039 0.000 2.442 112 G HA2 -0.254 3.708 3.960 0.002 0.000 0.219 112 G HA3 -0.254 3.708 3.960 0.002 0.000 0.219 112 G C 1.438 176.383 174.900 0.075 0.000 1.141 112 G CA 0.526 45.654 45.100 0.046 0.000 0.763 112 G HN 0.160 nan 8.290 nan 0.000 0.554 113 L N 0.075 121.359 121.223 0.100 0.000 2.375 113 L HA 0.367 4.708 4.340 0.002 0.000 0.215 113 L C 2.599 179.602 176.870 0.221 0.000 1.108 113 L CA 0.448 55.375 54.840 0.145 0.000 0.830 113 L CB -0.297 41.849 42.059 0.145 0.000 0.959 113 L HN 0.191 nan 8.230 nan 0.000 0.457 114 I N -0.720 119.975 120.570 0.208 0.000 2.202 114 I HA -0.269 3.903 4.170 0.002 0.000 0.242 114 I C 2.245 178.485 176.117 0.205 0.000 1.091 114 I CA 1.068 62.545 61.300 0.294 0.000 1.368 114 I CB -0.027 38.087 38.000 0.190 0.000 1.058 114 I HN 0.270 nan 8.210 nan 0.000 0.410 115 E N 0.290 120.566 120.200 0.126 0.000 2.085 115 E HA -0.303 4.049 4.350 0.002 0.000 0.194 115 E C 2.060 178.723 176.600 0.106 0.000 0.994 115 E CA 1.465 57.926 56.400 0.101 0.000 0.801 115 E CB -0.118 29.610 29.700 0.046 0.000 0.743 115 E HN 0.459 nan 8.360 nan 0.000 0.453 116 E N 0.850 121.110 120.200 0.100 0.000 2.031 116 E HA -0.212 4.139 4.350 0.002 0.000 0.193 116 E C 1.924 178.565 176.600 0.068 0.000 0.994 116 E CA 1.079 57.528 56.400 0.081 0.000 0.800 116 E CB 0.044 29.798 29.700 0.090 0.000 0.752 116 E HN 0.198 nan 8.360 nan 0.000 0.447 117 N N -0.431 118.325 118.700 0.094 0.000 2.120 117 N HA -0.191 4.551 4.740 0.002 0.000 0.188 117 N C 1.908 177.380 175.510 -0.063 0.000 1.024 117 N CA 1.311 54.361 53.050 0.001 0.000 0.852 117 N CB -0.357 38.103 38.487 -0.045 0.000 1.003 117 N HN 0.303 nan 8.380 nan 0.000 0.424 118 H N 0.852 119.872 119.070 -0.083 0.000 2.357 118 H HA 0.014 4.571 4.556 0.002 0.000 0.301 118 H C 1.797 177.093 175.328 -0.054 0.000 1.082 118 H CA 1.808 57.804 56.048 -0.087 0.000 1.342 118 H CB -0.197 29.537 29.762 -0.047 0.000 1.389 118 H HN 0.023 nan 8.280 nan 0.000 0.511 119 T N -0.757 113.775 114.554 -0.037 0.000 2.720 119 T HA -0.171 4.180 4.350 0.002 0.000 0.268 119 T C 2.281 176.918 174.700 -0.106 0.000 1.037 119 T CA 1.539 63.600 62.100 -0.066 0.000 1.144 119 T CB -0.356 68.514 68.868 0.004 0.000 0.864 119 T HN 0.316 nan 8.240 nan 0.000 0.444 120 S N 1.224 116.873 115.700 -0.084 0.000 2.368 120 S HA -0.045 4.427 4.470 0.002 0.000 0.225 120 S C 1.959 176.488 174.600 -0.117 0.000 1.030 120 S CA 0.863 59.017 58.200 -0.077 0.000 0.999 120 S CB -0.450 62.719 63.200 -0.052 0.000 0.844 120 S HN 0.379 nan 8.310 nan 0.000 0.459 121 L N 1.472 122.588 121.223 -0.179 0.000 2.093 121 L HA 0.031 4.373 4.340 0.002 0.000 0.208 121 L C 2.047 178.794 176.870 -0.206 0.000 1.085 121 L CA 1.735 56.457 54.840 -0.197 0.000 0.755 121 L CB -0.576 41.333 42.059 -0.249 0.000 0.904 121 L HN 0.255 nan 8.230 nan 0.000 0.435 122 M N -0.548 118.885 119.600 -0.277 0.000 2.132 122 M HA -0.179 4.303 4.480 0.002 0.000 0.263 122 M C 1.977 178.205 176.300 -0.121 0.000 1.065 122 M CA 2.059 57.230 55.300 -0.215 0.000 1.122 122 M CB -0.878 31.578 32.600 -0.240 0.000 1.365 122 M HN 0.466 nan 8.290 nan 0.000 0.411 123 N N -0.596 118.043 118.700 -0.102 0.000 2.216 123 N HA -0.037 4.705 4.740 0.002 0.000 0.183 123 N C 1.241 176.719 175.510 -0.054 0.000 1.017 123 N CA 0.930 53.943 53.050 -0.063 0.000 0.861 123 N CB 0.085 38.544 38.487 -0.046 0.000 0.986 123 N HN 0.383 nan 8.380 nan 0.000 0.428 124 G N -0.330 108.433 108.800 -0.061 0.000 4.908 124 G HA2 0.491 4.453 3.960 0.002 0.000 0.267 124 G HA3 0.491 4.453 3.960 0.002 0.000 0.267 124 G C 0.166 175.033 174.900 -0.054 0.000 0.958 124 G CA 0.051 45.122 45.100 -0.049 0.000 0.743 124 G HN 0.443 nan 8.290 nan 0.000 0.410 125 G N 0.842 109.601 108.800 -0.069 0.000 2.829 125 G HA2 -0.097 3.864 3.960 0.002 0.000 0.628 125 G HA3 -0.097 3.864 3.960 0.002 0.000 0.628 125 G C -0.946 173.908 174.900 -0.075 0.000 1.412 125 G CA -0.210 44.849 45.100 -0.068 0.000 0.864 125 G HN 0.101 nan 8.290 nan 0.000 0.544 126 P HA -0.152 nan 4.420 nan 0.000 0.220 126 P C 1.774 179.037 177.300 -0.063 0.000 1.144 126 P CA 1.153 64.209 63.100 -0.074 0.000 0.800 126 P CB -0.016 31.649 31.700 -0.057 0.000 0.772 127 R N 0.235 120.704 120.500 -0.051 0.000 2.127 127 R HA -0.067 4.275 4.340 0.002 0.000 0.238 127 R C 1.873 178.148 176.300 -0.042 0.000 1.134 127 R CA 1.075 57.150 56.100 -0.041 0.000 0.975 127 R CB -0.622 29.658 30.300 -0.033 0.000 0.865 127 R HN 0.238 nan 8.270 nan 0.000 0.447 128 K N 0.284 120.655 120.400 -0.049 0.000 2.400 128 K HA 0.162 4.484 4.320 0.002 0.000 0.194 128 K C 0.919 177.491 176.600 -0.047 0.000 1.033 128 K CA 0.003 56.264 56.287 -0.043 0.000 1.021 128 K CB 0.048 32.522 32.500 -0.044 0.000 0.808 128 K HN 0.166 nan 8.250 nan 0.000 0.505 129 I N 1.898 122.424 120.570 -0.072 0.000 2.710 129 I HA -0.104 4.068 4.170 0.002 0.000 0.286 129 I C 0.966 177.064 176.117 -0.031 0.000 1.181 129 I CA 0.025 61.273 61.300 -0.088 0.000 1.430 129 I CB 0.538 38.443 38.000 -0.157 0.000 1.367 129 I HN -0.064 nan 8.210 nan 0.000 0.577 130 S N 7.007 122.723 115.700 0.026 0.000 2.565 130 S HA 0.260 4.731 4.470 0.002 0.000 0.276 130 S C -1.465 173.137 174.600 0.002 0.000 1.326 130 S CA -1.237 56.993 58.200 0.050 0.000 1.045 130 S CB 1.071 64.365 63.200 0.158 0.000 0.918 130 S HN 0.365 nan 8.310 nan 0.000 0.505 131 P HA -0.031 nan 4.420 nan 0.000 0.221 131 P C 0.218 177.330 177.300 -0.312 0.000 1.145 131 P CA 1.120 64.028 63.100 -0.321 0.000 0.795 131 P CB -0.038 31.303 31.700 -0.598 0.000 0.775 132 F N -3.272 116.743 119.950 0.108 0.000 2.732 132 F HA 0.172 4.700 4.527 0.002 0.000 0.303 132 F C 1.838 177.717 175.800 0.131 0.000 1.110 132 F CA -0.589 57.471 58.000 0.100 0.000 1.355 132 F CB -1.157 37.890 39.000 0.078 0.000 1.081 132 F HN -0.165 nan 8.300 nan 0.000 0.565 133 F N 1.032 121.064 119.950 0.137 0.000 2.024 133 F HA -0.321 4.207 4.527 0.002 0.000 0.296 133 F C 2.170 178.037 175.800 0.111 0.000 1.137 133 F CA 1.871 59.936 58.000 0.109 0.000 1.200 133 F CB -0.852 38.186 39.000 0.064 0.000 0.954 133 F HN -0.153 nan 8.300 nan 0.000 0.497 134 V N 2.235 122.042 119.914 -0.178 0.000 2.214 134 V HA -0.277 3.844 4.120 0.002 0.000 0.247 134 V C -0.188 175.826 176.094 -0.133 0.000 1.051 134 V CA 2.971 65.109 62.300 -0.271 0.000 1.003 134 V CB -2.270 29.513 31.823 -0.068 0.000 0.635 134 V HN 0.289 nan 8.190 nan 0.000 0.447 135 P HA -0.157 nan 4.420 nan 0.000 0.218 135 P C 1.697 179.034 177.300 0.063 0.000 1.146 135 P CA 2.261 65.391 63.100 0.051 0.000 0.813 135 P CB -0.191 31.590 31.700 0.134 0.000 0.778 136 S N -1.800 113.943 115.700 0.072 0.000 2.548 136 S HA 0.018 4.489 4.470 0.002 0.000 0.215 136 S C 1.608 176.244 174.600 0.061 0.000 0.976 136 S CA 1.019 59.258 58.200 0.064 0.000 0.908 136 S CB -1.087 62.176 63.200 0.105 0.000 0.781 136 S HN 0.318 nan 8.310 nan 0.000 0.519 137 T N 0.160 114.726 114.554 0.020 0.000 2.987 137 T HA 0.374 4.726 4.350 0.002 0.000 0.248 137 T C 0.861 175.642 174.700 0.134 0.000 0.997 137 T CA -0.077 62.068 62.100 0.074 0.000 1.013 137 T CB -0.829 67.957 68.868 -0.136 0.000 1.077 137 T HN 0.589 nan 8.240 nan 0.000 0.483 138 I N 1.567 122.157 120.570 0.033 0.000 2.752 138 I HA 0.271 4.442 4.170 0.002 0.000 0.287 138 I C 1.544 177.785 176.117 0.207 0.000 1.188 138 I CA -0.761 60.570 61.300 0.051 0.000 1.427 138 I CB 0.781 38.769 38.000 -0.020 0.000 1.365 138 I HN -0.160 nan 8.210 nan 0.000 0.585 139 V N 5.055 125.052 119.914 0.139 0.000 2.370 139 V HA -0.321 3.801 4.120 0.002 0.000 0.252 139 V C 2.311 178.536 176.094 0.219 0.000 1.068 139 V CA 2.597 65.009 62.300 0.186 0.000 1.061 139 V CB -1.365 30.476 31.823 0.029 0.000 0.656 139 V HN 1.052 nan 8.190 nan 0.000 0.455 140 N N -0.525 118.244 118.700 0.116 0.000 2.449 140 N HA -0.082 4.659 4.740 0.002 0.000 0.191 140 N C 1.344 176.884 175.510 0.050 0.000 1.161 140 N CA 0.479 53.573 53.050 0.073 0.000 0.863 140 N CB -0.069 38.436 38.487 0.030 0.000 0.980 140 N HN 0.329 nan 8.380 nan 0.000 0.458 141 M N 0.240 119.881 119.600 0.068 0.000 2.374 141 M HA -0.002 4.480 4.480 0.002 0.000 0.264 141 M C 1.746 178.055 176.300 0.014 0.000 1.067 141 M CA 0.480 55.782 55.300 0.003 0.000 1.103 141 M CB -0.633 31.974 32.600 0.012 0.000 1.402 141 M HN 0.006 nan 8.290 nan 0.000 0.444 142 V N 0.210 120.125 119.914 0.003 0.000 2.379 142 V HA -0.119 4.003 4.120 0.002 0.000 0.245 142 V C 2.707 178.831 176.094 0.050 0.000 1.044 142 V CA 1.586 63.893 62.300 0.011 0.000 1.036 142 V CB -1.377 30.442 31.823 -0.006 0.000 0.664 142 V HN 0.450 nan 8.190 nan 0.000 0.453 143 A N 0.796 123.639 122.820 0.040 0.000 1.930 143 A HA -0.016 4.306 4.320 0.002 0.000 0.217 143 A C 2.385 179.979 177.584 0.017 0.000 1.175 143 A CA 1.770 53.826 52.037 0.032 0.000 0.627 143 A CB -1.151 17.863 19.000 0.024 0.000 0.815 143 A HN 0.501 nan 8.150 nan 0.000 0.443 144 G N -0.939 107.848 108.800 -0.021 0.000 2.480 144 G HA2 -0.284 3.677 3.960 0.002 0.000 0.216 144 G HA3 -0.284 3.677 3.960 0.002 0.000 0.216 144 G C 1.553 176.389 174.900 -0.107 0.000 1.200 144 G CA 1.153 46.196 45.100 -0.095 0.000 0.782 144 G HN 0.633 nan 8.290 nan 0.000 0.554 145 H N 0.314 119.382 119.070 -0.004 0.000 2.321 145 H HA 0.045 4.602 4.556 0.002 0.000 0.300 145 H C 2.833 178.186 175.328 0.041 0.000 1.087 145 H CA 1.153 57.202 56.048 0.001 0.000 1.319 145 H CB -0.397 29.349 29.762 -0.027 0.000 1.379 145 H HN 0.218 nan 8.280 nan 0.000 0.501 146 L N 0.652 121.985 121.223 0.183 0.000 2.042 146 L HA -0.198 4.144 4.340 0.002 0.000 0.210 146 L C 2.884 179.882 176.870 0.213 0.000 1.076 146 L CA 1.906 56.871 54.840 0.209 0.000 0.749 146 L CB -0.662 41.484 42.059 0.144 0.000 0.893 146 L HN 0.436 nan 8.230 nan 0.000 0.432 147 T N -2.079 112.546 114.554 0.118 0.000 2.746 147 T HA -0.190 4.161 4.350 0.002 0.000 0.267 147 T C 1.756 176.518 174.700 0.103 0.000 1.039 147 T CA 1.249 63.407 62.100 0.096 0.000 1.142 147 T CB -0.541 68.354 68.868 0.044 0.000 0.866 147 T HN 0.226 nan 8.240 nan 0.000 0.444 148 I N 0.890 121.506 120.570 0.076 0.000 2.163 148 I HA -0.105 4.066 4.170 0.002 0.000 0.240 148 I C 2.869 179.017 176.117 0.052 0.000 1.081 148 I CA 1.504 62.836 61.300 0.053 0.000 1.353 148 I CB -0.380 37.640 38.000 0.033 0.000 1.054 148 I HN 0.202 nan 8.210 nan 0.000 0.407 149 M N -0.792 118.848 119.600 0.066 0.000 2.202 149 M HA -0.235 4.246 4.480 0.002 0.000 0.262 149 M C 1.464 177.647 176.300 -0.196 0.000 1.063 149 M CA 2.091 57.356 55.300 -0.058 0.000 1.097 149 M CB -0.291 32.275 32.600 -0.057 0.000 1.382 149 M HN 0.208 nan 8.290 nan 0.000 0.413 150 Y N -0.767 119.548 120.300 0.024 0.000 2.467 150 Y HA 0.330 4.881 4.550 0.002 0.000 0.250 150 Y C 1.447 177.358 175.900 0.019 0.000 1.155 150 Y CA 0.142 58.254 58.100 0.021 0.000 1.249 150 Y CB 0.368 38.842 38.460 0.023 0.000 1.146 150 Y HN 0.370 nan 8.280 nan 0.000 0.524 151 G N 1.318 110.191 108.800 0.121 0.000 2.249 151 G HA2 -0.295 3.666 3.960 0.002 0.000 0.273 151 G HA3 -0.295 3.666 3.960 0.002 0.000 0.273 151 G C -0.063 174.890 174.900 0.088 0.000 1.036 151 G CA 0.009 45.159 45.100 0.082 0.000 0.824 151 G HN 0.284 nan 8.290 nan 0.000 0.504 152 L N -0.600 120.684 121.223 0.102 0.000 2.360 152 L HA 0.390 4.731 4.340 0.002 0.000 0.276 152 L C 1.621 178.516 176.870 0.043 0.000 1.121 152 L CA -0.315 54.565 54.840 0.067 0.000 0.845 152 L CB 0.691 42.784 42.059 0.057 0.000 1.143 152 L HN 0.193 nan 8.230 nan 0.000 0.452 153 R N 2.061 122.580 120.500 0.032 0.000 2.476 153 R HA 0.191 4.532 4.340 0.002 0.000 0.276 153 R C 0.839 177.149 176.300 0.017 0.000 0.941 153 R CA -0.092 56.022 56.100 0.023 0.000 1.088 153 R CB 0.888 31.202 30.300 0.023 0.000 1.216 153 R HN 0.775 nan 8.270 nan 0.000 0.533 154 G N 2.571 111.379 108.800 0.014 0.000 2.611 154 G HA2 0.219 4.181 3.960 0.002 0.000 0.273 154 G HA3 0.219 4.181 3.960 0.002 0.000 0.273 154 G C -2.363 172.542 174.900 0.007 0.000 1.305 154 G CA -0.847 44.258 45.100 0.009 0.000 1.010 154 G HN -0.114 nan 8.290 nan 0.000 0.509 155 P HA 0.194 nan 4.420 nan 0.000 0.265 155 P C -0.385 176.915 177.300 -0.000 0.000 1.193 155 P CA 0.045 63.146 63.100 0.002 0.000 0.765 155 P CB 1.050 32.751 31.700 0.002 0.000 0.823 156 S N 3.102 118.801 115.700 -0.002 0.000 2.647 156 S HA 0.793 5.265 4.470 0.002 0.000 0.300 156 S C -0.431 174.167 174.600 -0.004 0.000 1.129 156 S CA -0.771 57.429 58.200 -0.001 0.000 1.029 156 S CB 0.274 63.475 63.200 0.002 0.000 1.007 156 S HN 0.415 nan 8.310 nan 0.000 0.484 157 I N -0.557 120.012 120.570 -0.002 0.000 3.042 157 I HA 0.899 5.071 4.170 0.002 0.000 0.310 157 I C -0.947 175.174 176.117 0.008 0.000 1.117 157 I CA -0.934 60.362 61.300 -0.006 0.000 1.003 157 I CB 2.433 40.420 38.000 -0.023 0.000 1.228 157 I HN 0.478 nan 8.210 nan 0.000 0.443 158 S N 4.405 120.110 115.700 0.009 0.000 2.789 158 S HA 0.555 5.027 4.470 0.002 0.000 0.286 158 S C -0.506 174.109 174.600 0.025 0.000 1.153 158 S CA -0.377 57.840 58.200 0.029 0.000 1.084 158 S CB 0.748 63.972 63.200 0.040 0.000 1.036 158 S HN 0.458 nan 8.310 nan 0.000 0.484 159 I N 2.955 123.549 120.570 0.041 0.000 2.337 159 I HA 0.356 4.527 4.170 0.002 0.000 0.291 159 I C 0.475 176.633 176.117 0.069 0.000 1.046 159 I CA -0.344 60.987 61.300 0.052 0.000 1.324 159 I CB 0.919 38.977 38.000 0.096 0.000 1.409 159 I HN 0.652 nan 8.210 nan 0.000 0.494 160 A N 4.554 127.404 122.820 0.050 0.000 2.540 160 A HA 0.450 4.771 4.320 0.002 0.000 0.340 160 A C 0.545 178.169 177.584 0.067 0.000 1.424 160 A CA -0.430 51.632 52.037 0.042 0.000 0.940 160 A CB -0.249 18.758 19.000 0.011 0.000 1.149 160 A HN 0.762 nan 8.150 nan 0.000 0.505 161 T N -0.695 113.926 114.554 0.111 0.000 3.313 161 T HA 0.579 4.930 4.350 0.002 0.000 0.263 161 T C 0.827 175.585 174.700 0.098 0.000 0.983 161 T CA 0.740 62.934 62.100 0.156 0.000 0.963 161 T CB -0.659 68.422 68.868 0.356 0.000 1.141 161 T HN 2.249 nan 8.240 nan 0.000 0.526 162 A N 2.273 125.121 122.820 0.047 0.000 5.584 162 A HA -0.344 3.977 4.320 0.002 0.000 0.303 162 A C 1.350 178.909 177.584 -0.042 0.000 1.923 162 A CA 1.553 53.587 52.037 -0.004 0.000 0.717 162 A CB -1.744 17.263 19.000 0.012 0.000 1.281 162 A HN 0.606 nan 8.150 nan 0.000 0.379 163 Q N -0.238 119.507 119.800 -0.090 0.000 2.561 163 Q HA 0.074 4.416 4.340 0.002 0.000 0.217 163 Q C 1.513 177.508 176.000 -0.008 0.000 0.980 163 Q CA 1.690 57.464 55.803 -0.049 0.000 0.927 163 Q CB -0.336 28.407 28.738 0.007 0.000 0.980 163 Q HN 0.736 nan 8.270 nan 0.000 0.525 164 T N -1.531 112.992 114.554 -0.052 0.000 3.069 164 T HA 0.099 4.451 4.350 0.002 0.000 0.252 164 T C 1.571 176.176 174.700 -0.157 0.000 1.053 164 T CA 0.204 62.207 62.100 -0.163 0.000 0.964 164 T CB 0.259 68.998 68.868 -0.216 0.000 1.005 164 T HN 0.182 nan 8.240 nan 0.000 0.532 165 S N 1.960 117.650 115.700 -0.017 0.000 2.359 165 S HA -0.137 4.335 4.470 0.002 0.000 0.223 165 S C 2.533 177.151 174.600 0.029 0.000 1.039 165 S CA 1.484 59.715 58.200 0.051 0.000 1.042 165 S CB -1.039 62.192 63.200 0.052 0.000 0.915 165 S HN 0.638 nan 8.310 nan 0.000 0.439 166 G N 1.545 110.340 108.800 -0.009 0.000 2.513 166 G HA2 -0.240 3.722 3.960 0.002 0.000 0.219 166 G HA3 -0.240 3.722 3.960 0.002 0.000 0.219 166 G C 1.465 176.346 174.900 -0.032 0.000 1.160 166 G CA 1.349 46.438 45.100 -0.018 0.000 0.767 166 G HN 0.442 nan 8.290 nan 0.000 0.571 167 V N 0.052 119.927 119.914 -0.066 0.000 2.358 167 V HA -0.151 3.971 4.120 0.002 0.000 0.246 167 V C 2.404 178.476 176.094 -0.037 0.000 1.047 167 V CA 2.197 64.452 62.300 -0.074 0.000 1.035 167 V CB -0.729 31.030 31.823 -0.106 0.000 0.658 167 V HN 0.557 nan 8.190 nan 0.000 0.452 168 H N -0.110 118.995 119.070 0.059 0.000 2.321 168 H HA -0.125 4.432 4.556 0.002 0.000 0.300 168 H C 2.414 177.760 175.328 0.029 0.000 1.087 168 H CA 1.511 57.645 56.048 0.144 0.000 1.319 168 H CB 0.059 29.961 29.762 0.233 0.000 1.379 168 H HN 0.381 nan 8.280 nan 0.000 0.501 169 N N 0.719 119.504 118.700 0.142 0.000 2.104 169 N HA -0.146 4.595 4.740 0.002 0.000 0.190 169 N C 1.984 177.467 175.510 -0.045 0.000 1.024 169 N CA 1.210 54.297 53.050 0.062 0.000 0.853 169 N CB -0.107 38.412 38.487 0.052 0.000 1.008 169 N HN 0.335 nan 8.380 nan 0.000 0.424 170 I N 0.917 121.424 120.570 -0.106 0.000 2.179 170 I HA -0.166 4.006 4.170 0.002 0.000 0.242 170 I C 2.563 178.456 176.117 -0.373 0.000 1.088 170 I CA 1.216 62.418 61.300 -0.163 0.000 1.357 170 I CB -0.668 37.274 38.000 -0.097 0.000 1.051 170 I HN 0.126 nan 8.210 nan 0.000 0.409 171 G N 0.217 108.563 108.800 -0.757 0.000 2.514 171 G HA2 -0.261 3.701 3.960 0.002 0.000 0.217 171 G HA3 -0.261 3.701 3.960 0.002 0.000 0.217 171 G C 1.549 175.836 174.900 -1.021 0.000 1.198 171 G CA 0.870 44.930 45.100 -1.734 0.000 0.780 171 G HN 0.389 nan 8.290 nan 0.000 0.565 172 H N 0.698 119.518 119.070 -0.416 0.000 2.457 172 H HA 0.095 4.652 4.556 0.002 0.000 0.294 172 H C 2.907 178.182 175.328 -0.089 0.000 1.064 172 H CA 0.969 56.950 56.048 -0.112 0.000 1.330 172 H CB -0.281 29.474 29.762 -0.013 0.000 1.395 172 H HN 0.404 nan 8.280 nan 0.000 0.541 173 A N 1.364 124.165 122.820 -0.032 0.000 1.877 173 A HA -0.112 4.210 4.320 0.002 0.000 0.216 173 A C 2.728 180.292 177.584 -0.033 0.000 1.186 173 A CA 1.724 53.747 52.037 -0.023 0.000 0.620 173 A CB -0.803 18.174 19.000 -0.039 0.000 0.822 173 A HN 0.419 nan 8.150 nan 0.000 0.443 174 A N -0.533 122.232 122.820 -0.092 0.000 1.902 174 A HA -0.167 4.154 4.320 0.002 0.000 0.217 174 A C 2.241 179.819 177.584 -0.010 0.000 1.181 174 A CA 1.540 53.537 52.037 -0.067 0.000 0.623 174 A CB -0.467 18.455 19.000 -0.130 0.000 0.818 174 A HN 0.406 nan 8.150 nan 0.000 0.443 175 R N -0.284 120.211 120.500 -0.008 0.000 2.083 175 R HA -0.084 4.258 4.340 0.002 0.000 0.237 175 R C 2.044 178.413 176.300 0.115 0.000 1.137 175 R CA 1.592 57.743 56.100 0.084 0.000 0.951 175 R CB -0.998 29.386 30.300 0.140 0.000 0.851 175 R HN 0.662 nan 8.270 nan 0.000 0.434 176 I N 0.581 121.201 120.570 0.083 0.000 2.208 176 I HA -0.300 3.872 4.170 0.002 0.000 0.245 176 I C 2.326 178.504 176.117 0.102 0.000 1.097 176 I CA 1.333 62.680 61.300 0.078 0.000 1.363 176 I CB -0.292 37.732 38.000 0.040 0.000 1.051 176 I HN 0.073 nan 8.210 nan 0.000 0.413 177 I N 0.575 121.183 120.570 0.065 0.000 2.163 177 I HA -0.254 3.918 4.170 0.002 0.000 0.240 177 I C 2.787 178.948 176.117 0.073 0.000 1.081 177 I CA 1.384 62.714 61.300 0.050 0.000 1.353 177 I CB -0.483 37.529 38.000 0.018 0.000 1.054 177 I HN 0.151 nan 8.210 nan 0.000 0.407 178 A N -0.159 122.710 122.820 0.082 0.000 1.978 178 A HA -0.291 4.030 4.320 0.002 0.000 0.220 178 A C 2.290 179.936 177.584 0.103 0.000 1.170 178 A CA 1.540 53.626 52.037 0.082 0.000 0.636 178 A CB -1.072 17.976 19.000 0.080 0.000 0.810 178 A HN 0.575 nan 8.150 nan 0.000 0.448 179 Y N -0.337 119.979 120.300 0.027 0.000 2.352 179 Y HA 0.174 4.726 4.550 0.002 0.000 0.292 179 Y C 1.696 177.609 175.900 0.021 0.000 1.136 179 Y CA 1.465 59.582 58.100 0.028 0.000 1.227 179 Y CB 0.058 38.538 38.460 0.034 0.000 0.991 179 Y HN 0.474 nan 8.280 nan 0.000 0.545 180 G N -0.885 107.983 108.800 0.113 0.000 2.192 180 G HA2 -0.240 3.721 3.960 0.002 0.000 0.193 180 G HA3 -0.240 3.721 3.960 0.002 0.000 0.193 180 G C 0.725 175.690 174.900 0.109 0.000 0.999 180 G CA 0.312 45.440 45.100 0.046 0.000 0.659 180 G HN 0.388 nan 8.290 nan 0.000 0.503 181 D N 0.792 121.309 120.400 0.195 0.000 2.312 181 D HA 0.430 5.071 4.640 0.002 0.000 0.211 181 D C 1.329 177.668 176.300 0.064 0.000 0.964 181 D CA 1.633 55.714 54.000 0.135 0.000 0.877 181 D CB 0.416 41.294 40.800 0.130 0.000 0.924 181 D HN 1.056 nan 8.370 nan 0.000 0.515 182 A N -0.291 122.557 122.820 0.045 0.000 2.610 182 A HA 0.425 4.746 4.320 0.002 0.000 0.291 182 A C -0.530 177.036 177.584 -0.031 0.000 1.086 182 A CA -0.605 51.432 52.037 0.001 0.000 0.677 182 A CB 1.211 20.209 19.000 -0.004 0.000 1.278 182 A HN -0.243 nan 8.150 nan 0.000 0.414 183 D N -0.829 119.512 120.400 -0.099 0.000 2.422 183 D HA 0.300 4.941 4.640 0.002 0.000 0.218 183 D C -0.047 176.107 176.300 -0.242 0.000 1.047 183 D CA 1.115 54.995 54.000 -0.200 0.000 0.885 183 D CB 1.129 41.704 40.800 -0.376 0.000 1.035 183 D HN 0.266 nan 8.370 nan 0.000 0.502 184 V N 1.527 121.330 119.914 -0.185 0.000 2.971 184 V HA 0.494 4.615 4.120 0.002 0.000 0.309 184 V C -0.751 175.300 176.094 -0.070 0.000 1.130 184 V CA -0.650 61.573 62.300 -0.129 0.000 0.964 184 V CB 2.845 34.582 31.823 -0.144 0.000 1.029 184 V HN -0.064 nan 8.190 nan 0.000 0.427 185 M N 3.398 122.969 119.600 -0.048 0.000 2.277 185 M HA 0.460 4.942 4.480 0.002 0.000 0.282 185 M C -1.116 175.161 176.300 -0.038 0.000 1.074 185 M CA -0.438 54.840 55.300 -0.037 0.000 0.954 185 M CB 2.025 34.611 32.600 -0.024 0.000 1.672 185 M HN 0.366 nan 8.290 nan 0.000 0.471 186 V N 2.495 122.381 119.914 -0.046 0.000 2.432 186 V HA 0.814 4.935 4.120 0.002 0.000 0.271 186 V C 0.332 176.410 176.094 -0.027 0.000 1.046 186 V CA -0.434 61.836 62.300 -0.049 0.000 0.945 186 V CB 0.765 32.543 31.823 -0.076 0.000 0.992 186 V HN 0.947 nan 8.190 nan 0.000 0.471 187 A N 3.556 126.362 122.820 -0.023 0.000 2.498 187 A HA 1.063 5.385 4.320 0.002 0.000 0.298 187 A C 0.161 177.737 177.584 -0.014 0.000 1.075 187 A CA 0.042 52.070 52.037 -0.015 0.000 0.714 187 A CB 2.109 21.095 19.000 -0.023 0.000 1.299 187 A HN 1.672 nan 8.150 nan 0.000 0.407 188 G N -0.896 107.902 108.800 -0.003 0.000 2.347 188 G HA2 0.626 4.587 3.960 0.002 0.000 0.224 188 G HA3 0.626 4.587 3.960 0.002 0.000 0.224 188 G C -0.179 174.734 174.900 0.023 0.000 1.318 188 G CA 0.283 45.382 45.100 -0.003 0.000 1.016 188 G HN 2.278 nan 8.290 nan 0.000 0.469 189 G N -1.373 107.446 108.800 0.031 0.000 2.677 189 G HA2 0.950 4.911 3.960 0.002 0.000 0.291 189 G HA3 0.950 4.911 3.960 0.002 0.000 0.291 189 G C -0.943 174.013 174.900 0.093 0.000 1.435 189 G CA 0.625 45.764 45.100 0.064 0.000 0.826 189 G HN 2.103 nan 8.290 nan 0.000 0.491 190 A N -0.123 122.792 122.820 0.158 0.000 2.475 190 A HA 0.941 5.263 4.320 0.002 0.000 0.301 190 A C -0.968 176.763 177.584 0.246 0.000 1.059 190 A CA -0.550 51.622 52.037 0.226 0.000 0.710 190 A CB 2.420 21.583 19.000 0.272 0.000 1.288 190 A HN 0.887 nan 8.150 nan 0.000 0.408 191 E N 0.154 120.485 120.200 0.218 0.000 2.375 191 E HA 0.597 4.949 4.350 0.002 0.000 0.280 191 E C -1.507 175.182 176.600 0.148 0.000 0.972 191 E CA -0.404 56.063 56.400 0.112 0.000 0.782 191 E CB 1.520 31.233 29.700 0.022 0.000 1.229 191 E HN 0.316 nan 8.360 nan 0.000 0.439 192 K N 2.741 123.179 120.400 0.062 0.000 3.088 192 K HA 0.488 4.810 4.320 0.002 0.000 0.193 192 K C -1.240 175.377 176.600 0.029 0.000 1.176 192 K CA 0.111 56.421 56.287 0.039 0.000 0.907 192 K CB 0.690 33.102 32.500 -0.148 0.000 1.139 192 K HN 0.485 nan 8.250 nan 0.000 0.597 193 A N 0.736 123.591 122.820 0.059 0.000 2.423 193 A HA 0.092 4.413 4.320 0.002 0.000 0.246 193 A C 0.495 178.161 177.584 0.138 0.000 1.278 193 A CA 0.061 52.148 52.037 0.084 0.000 0.903 193 A CB -0.092 18.975 19.000 0.110 0.000 0.997 193 A HN 0.374 nan 8.150 nan 0.000 0.510 194 S N 1.230 117.029 115.700 0.165 0.000 4.183 194 S HA 0.373 4.844 4.470 0.002 0.000 0.195 194 S C 0.333 175.163 174.600 0.384 0.000 1.421 194 S CA 0.247 58.605 58.200 0.262 0.000 0.920 194 S CB -1.096 62.275 63.200 0.285 0.000 1.525 194 S HN 0.657 nan 8.310 nan 0.000 0.447 195 T N -1.902 112.759 114.554 0.179 0.000 2.887 195 T HA 0.609 4.960 4.350 0.002 0.000 0.292 195 T C -2.596 171.827 174.700 -0.463 0.000 1.087 195 T CA -2.015 60.023 62.100 -0.102 0.000 1.009 195 T CB 1.195 70.030 68.868 -0.054 0.000 1.203 195 T HN -0.055 nan 8.240 nan 0.000 0.518 196 P HA -0.092 nan 4.420 nan 0.000 0.216 196 P C 1.594 178.855 177.300 -0.065 0.000 1.154 196 P CA 0.673 63.420 63.100 -0.589 0.000 0.865 196 P CB -0.039 31.421 31.700 -0.401 0.000 0.789 197 L N -0.806 120.370 121.223 -0.078 0.000 2.056 197 L HA -0.016 4.325 4.340 0.002 0.000 0.207 197 L C 2.515 179.404 176.870 0.031 0.000 1.078 197 L CA 2.234 57.066 54.840 -0.014 0.000 0.749 197 L CB -1.964 40.075 42.059 -0.032 0.000 0.901 197 L HN 0.000 nan 8.230 nan 0.000 0.433 198 G N -1.407 107.432 108.800 0.064 0.000 2.433 198 G HA2 -0.166 3.795 3.960 0.002 0.000 0.216 198 G HA3 -0.166 3.795 3.960 0.002 0.000 0.216 198 G C 1.600 176.670 174.900 0.283 0.000 1.186 198 G CA 1.059 46.272 45.100 0.188 0.000 0.779 198 G HN 0.274 nan 8.290 nan 0.000 0.543 199 V N 1.435 121.478 119.914 0.215 0.000 2.379 199 V HA 0.003 4.124 4.120 0.002 0.000 0.245 199 V C 3.104 179.357 176.094 0.265 0.000 1.044 199 V CA 1.889 64.329 62.300 0.234 0.000 1.036 199 V CB -0.995 30.984 31.823 0.261 0.000 0.664 199 V HN 0.430 nan 8.190 nan 0.000 0.453 200 G N 0.077 109.048 108.800 0.285 0.000 2.402 200 G HA2 -0.086 3.875 3.960 0.002 0.000 0.216 200 G HA3 -0.086 3.875 3.960 0.002 0.000 0.216 200 G C 1.595 176.537 174.900 0.071 0.000 1.162 200 G CA 0.908 46.109 45.100 0.168 0.000 0.777 200 G HN 0.563 nan 8.290 nan 0.000 0.539 201 G N 0.552 109.387 108.800 0.057 0.000 2.453 201 G HA2 -0.125 3.836 3.960 0.002 0.000 0.215 201 G HA3 -0.125 3.836 3.960 0.002 0.000 0.215 201 G C 1.540 176.427 174.900 -0.021 0.000 1.201 201 G CA 0.648 45.728 45.100 -0.033 0.000 0.784 201 G HN 0.306 nan 8.290 nan 0.000 0.545 202 F N 1.773 121.786 119.950 0.105 0.000 2.407 202 F HA 0.131 4.659 4.527 0.002 0.000 0.299 202 F C 2.749 178.582 175.800 0.055 0.000 1.097 202 F CA 0.718 58.807 58.000 0.149 0.000 1.422 202 F CB -0.179 38.936 39.000 0.191 0.000 1.067 202 F HN 0.199 nan 8.300 nan 0.000 0.539 203 G N -0.700 108.208 108.800 0.180 0.000 2.430 203 G HA2 -0.084 3.878 3.960 0.002 0.000 0.216 203 G HA3 -0.084 3.878 3.960 0.002 0.000 0.216 203 G C 1.883 176.815 174.900 0.052 0.000 1.146 203 G CA 0.621 45.768 45.100 0.078 0.000 0.793 203 G HN 0.389 nan 8.290 nan 0.000 0.537 204 A N 0.924 123.769 122.820 0.042 0.000 2.015 204 A HA 0.406 4.728 4.320 0.002 0.000 0.219 204 A C 2.487 180.086 177.584 0.026 0.000 1.163 204 A CA 1.800 53.843 52.037 0.011 0.000 0.646 204 A CB -0.354 18.637 19.000 -0.014 0.000 0.806 204 A HN 0.697 nan 8.150 nan 0.000 0.448 205 A N -1.309 121.549 122.820 0.063 0.000 2.278 205 A HA 0.338 4.660 4.320 0.002 0.000 0.212 205 A C 1.049 178.692 177.584 0.098 0.000 1.213 205 A CA 0.327 52.410 52.037 0.077 0.000 0.840 205 A CB -0.378 18.691 19.000 0.114 0.000 0.866 205 A HN 0.482 nan 8.150 nan 0.000 0.489 206 R N -2.706 117.844 120.500 0.082 0.000 3.525 206 R HA -0.253 4.088 4.340 0.002 0.000 0.276 206 R C 0.911 177.270 176.300 0.098 0.000 1.116 206 R CA 0.463 56.602 56.100 0.066 0.000 0.745 206 R CB -2.140 28.188 30.300 0.047 0.000 1.185 206 R HN 0.647 nan 8.270 nan 0.000 0.454 207 A N -0.335 122.575 122.820 0.150 0.000 2.220 207 A HA 0.217 4.539 4.320 0.002 0.000 0.211 207 A C 0.458 178.005 177.584 -0.061 0.000 1.176 207 A CA 0.231 52.398 52.037 0.217 0.000 0.834 207 A CB 0.472 19.810 19.000 0.564 0.000 0.868 207 A HN 0.074 nan 8.150 nan 0.000 0.488 208 L N -0.024 121.080 121.223 -0.198 0.000 2.343 208 L HA 0.411 4.752 4.340 0.002 0.000 0.275 208 L C 0.921 177.676 176.870 -0.193 0.000 1.056 208 L CA -0.239 54.356 54.840 -0.409 0.000 0.804 208 L CB 1.337 43.158 42.059 -0.396 0.000 1.203 208 L HN 0.160 nan 8.230 nan 0.000 0.440 209 S N 0.897 116.501 115.700 -0.160 0.000 2.568 209 S HA 0.088 4.560 4.470 0.002 0.000 0.282 209 S C 0.770 175.407 174.600 0.062 0.000 1.338 209 S CA 0.102 58.318 58.200 0.026 0.000 1.045 209 S CB 0.355 63.650 63.200 0.158 0.000 0.873 209 S HN 0.721 nan 8.310 nan 0.000 0.516 210 T N 3.088 117.721 114.554 0.131 0.000 3.145 210 T HA 0.252 4.603 4.350 0.002 0.000 0.281 210 T C 0.716 175.559 174.700 0.239 0.000 1.003 210 T CA -0.352 61.832 62.100 0.141 0.000 0.901 210 T CB -0.177 68.728 68.868 0.062 0.000 1.112 210 T HN 0.629 nan 8.240 nan 0.000 0.535 211 R N 2.073 122.739 120.500 0.277 0.000 4.559 211 R HA 0.133 4.475 4.340 0.002 0.000 0.177 211 R C 0.886 177.196 176.300 0.016 0.000 1.875 211 R CA -0.045 56.119 56.100 0.108 0.000 1.509 211 R CB -0.383 29.918 30.300 0.001 0.000 1.395 211 R HN 0.239 nan 8.270 nan 0.000 0.830 212 N N 1.257 120.068 118.700 0.185 0.000 2.364 212 N HA -0.189 4.553 4.740 0.002 0.000 0.183 212 N C 0.830 176.320 175.510 -0.034 0.000 1.022 212 N CA 1.438 54.569 53.050 0.134 0.000 0.883 212 N CB 0.084 38.697 38.487 0.209 0.000 0.965 212 N HN 0.648 nan 8.380 nan 0.000 0.438 213 D N -0.577 119.800 120.400 -0.038 0.000 2.348 213 D HA -0.079 4.562 4.640 0.002 0.000 0.216 213 D C 0.289 176.535 176.300 -0.092 0.000 0.970 213 D CA 0.668 54.639 54.000 -0.048 0.000 0.889 213 D CB -0.213 40.572 40.800 -0.025 0.000 0.912 213 D HN 0.149 nan 8.370 nan 0.000 0.524 214 N N -0.943 117.659 118.700 -0.163 0.000 2.785 214 N HA 0.126 4.867 4.740 0.002 0.000 0.224 214 N C -2.370 172.936 175.510 -0.340 0.000 1.448 214 N CA -1.092 51.845 53.050 -0.187 0.000 0.748 214 N CB 0.926 39.339 38.487 -0.123 0.000 1.385 214 N HN -0.224 nan 8.380 nan 0.000 0.538 215 P HA -0.214 nan 4.420 nan 0.000 0.217 215 P C 0.820 177.832 177.300 -0.479 0.000 1.151 215 P CA 1.396 63.962 63.100 -0.890 0.000 0.849 215 P CB 0.213 31.551 31.700 -0.603 0.000 0.787 216 Q N -1.446 118.200 119.800 -0.257 0.000 2.436 216 Q HA 0.055 4.396 4.340 0.002 0.000 0.209 216 Q C 1.654 177.587 176.000 -0.112 0.000 0.965 216 Q CA 1.122 56.839 55.803 -0.143 0.000 0.910 216 Q CB -0.255 28.429 28.738 -0.091 0.000 0.980 216 Q HN 0.235 nan 8.270 nan 0.000 0.491 217 A N 0.069 122.808 122.820 -0.135 0.000 2.343 217 A HA 0.420 4.741 4.320 0.002 0.000 0.223 217 A C 2.009 179.546 177.584 -0.077 0.000 1.214 217 A CA 0.577 52.564 52.037 -0.083 0.000 0.900 217 A CB 0.096 19.057 19.000 -0.066 0.000 0.942 217 A HN 0.276 nan 8.150 nan 0.000 0.507 218 A N -0.147 122.600 122.820 -0.121 0.000 1.877 218 A HA -0.005 4.317 4.320 0.002 0.000 0.216 218 A C 1.650 179.237 177.584 0.005 0.000 1.186 218 A CA 1.475 53.482 52.037 -0.049 0.000 0.620 218 A CB -0.748 18.227 19.000 -0.042 0.000 0.822 218 A HN 0.467 nan 8.150 nan 0.000 0.443 219 S N 0.750 116.454 115.700 0.008 0.000 2.429 219 S HA 0.322 4.793 4.470 0.002 0.000 0.292 219 S C 0.310 174.884 174.600 -0.042 0.000 1.183 219 S CA -0.441 57.758 58.200 -0.003 0.000 1.088 219 S CB -0.367 62.839 63.200 0.009 0.000 1.018 219 S HN 0.472 nan 8.310 nan 0.000 0.511 220 R N 3.558 124.019 120.500 -0.064 0.000 2.674 220 R HA 0.336 4.677 4.340 0.002 0.000 0.270 220 R C -3.216 173.003 176.300 -0.134 0.000 1.492 220 R CA -1.827 54.229 56.100 -0.073 0.000 1.624 220 R CB 0.084 30.363 30.300 -0.035 0.000 1.307 220 R HN 0.279 nan 8.270 nan 0.000 0.683 221 P HA -0.153 nan 4.420 nan 0.000 0.263 221 P C 0.090 177.202 177.300 -0.312 0.000 1.175 221 P CA 0.473 63.246 63.100 -0.545 0.000 0.761 221 P CB 0.195 31.369 31.700 -0.876 0.000 0.794 222 W N -0.899 120.261 121.300 -0.234 0.000 2.612 222 W HA -0.217 4.444 4.660 0.003 0.000 0.266 222 W C 0.133 176.580 176.519 -0.120 0.000 1.034 222 W CA 0.758 57.948 57.345 -0.259 0.000 0.531 222 W CB -2.206 26.878 29.460 -0.626 0.000 2.052 222 W HN 0.400 nan 8.180 nan 0.000 1.427 223 D N 0.747 121.181 120.400 0.055 0.000 2.256 223 D HA 0.238 4.879 4.640 0.002 0.000 0.250 223 D C 1.435 177.763 176.300 0.046 0.000 1.093 223 D CA 0.055 54.089 54.000 0.056 0.000 0.882 223 D CB 0.864 41.680 40.800 0.027 0.000 1.185 223 D HN -0.149 nan 8.370 nan 0.000 0.437 224 K N 1.905 122.340 120.400 0.058 0.000 2.160 224 K HA -0.204 4.118 4.320 0.002 0.000 0.206 224 K C 0.921 177.542 176.600 0.034 0.000 1.047 224 K CA 1.270 57.587 56.287 0.050 0.000 0.930 224 K CB 0.068 32.598 32.500 0.051 0.000 0.720 224 K HN 0.591 nan 8.250 nan 0.000 0.450 225 E N 0.413 120.630 120.200 0.028 0.000 2.476 225 E HA 0.020 4.371 4.350 0.002 0.000 0.191 225 E C -0.228 176.380 176.600 0.014 0.000 1.064 225 E CA -0.230 56.183 56.400 0.021 0.000 0.866 225 E CB 0.254 29.966 29.700 0.020 0.000 0.952 225 E HN 0.152 nan 8.360 nan 0.000 0.492 226 R N 1.945 122.448 120.500 0.005 0.000 2.619 226 R HA -0.080 4.262 4.340 0.002 0.000 0.268 226 R C 0.249 176.554 176.300 0.009 0.000 0.990 226 R CA 1.023 57.119 56.100 -0.007 0.000 1.092 226 R CB 0.215 30.499 30.300 -0.027 0.000 0.935 226 R HN 0.191 nan 8.270 nan 0.000 0.415 227 D N 1.010 121.420 120.400 0.015 0.000 2.712 227 D HA 0.184 4.825 4.640 0.002 0.000 0.300 227 D C 0.210 176.524 176.300 0.024 0.000 1.521 227 D CA 0.026 54.041 54.000 0.025 0.000 0.790 227 D CB 0.548 41.366 40.800 0.032 0.000 1.155 227 D HN 0.736 nan 8.370 nan 0.000 0.456 228 G N 0.546 109.362 108.800 0.026 0.000 2.440 228 G HA2 0.184 4.146 3.960 0.002 0.000 0.684 228 G HA3 0.184 4.146 3.960 0.002 0.000 0.684 228 G C -0.459 174.461 174.900 0.033 0.000 1.309 228 G CA -0.683 44.438 45.100 0.034 0.000 0.931 228 G HN 0.349 nan 8.290 nan 0.000 0.612 229 F N -0.235 119.713 119.950 -0.003 0.000 2.435 229 F HA 0.750 5.279 4.527 0.003 0.000 0.316 229 F C 0.334 176.128 175.800 -0.009 0.000 1.220 229 F CA -0.997 56.984 58.000 -0.031 0.000 1.241 229 F CB 0.838 39.819 39.000 -0.032 0.000 1.234 229 F HN 0.452 nan 8.300 nan 0.000 0.569 230 V N 3.599 123.646 119.914 0.222 0.000 2.495 230 V HA 0.278 4.399 4.120 0.002 0.000 0.298 230 V C -0.358 175.891 176.094 0.259 0.000 1.031 230 V CA -0.901 61.473 62.300 0.122 0.000 0.871 230 V CB 1.225 33.165 31.823 0.195 0.000 0.988 230 V HN 0.697 nan 8.190 nan 0.000 0.432 231 L N 4.176 125.450 121.223 0.086 0.000 2.367 231 L HA 0.721 5.062 4.340 0.002 0.000 0.275 231 L C 0.631 177.575 176.870 0.123 0.000 1.129 231 L CA 0.578 55.500 54.840 0.136 0.000 0.839 231 L CB 0.777 42.858 42.059 0.037 0.000 1.133 231 L HN 0.834 nan 8.230 nan 0.000 0.453 232 G N 3.578 112.446 108.800 0.115 0.000 2.617 232 G HA2 0.559 4.520 3.960 0.002 0.000 0.306 232 G HA3 0.559 4.520 3.960 0.002 0.000 0.306 232 G C -1.292 173.664 174.900 0.094 0.000 1.360 232 G CA -0.540 44.624 45.100 0.107 0.000 0.983 232 G HN 0.504 nan 8.290 nan 0.000 0.496 233 D N -0.159 120.308 120.400 0.111 0.000 2.268 233 D HA 0.774 5.415 4.640 0.002 0.000 0.249 233 D C 0.628 176.991 176.300 0.104 0.000 1.008 233 D CA 0.441 54.532 54.000 0.152 0.000 0.939 233 D CB 2.117 43.064 40.800 0.244 0.000 1.170 233 D HN 0.894 nan 8.370 nan 0.000 0.468 234 G N -1.115 107.771 108.800 0.143 0.000 2.343 234 G HA2 0.581 4.542 3.960 0.002 0.000 0.289 234 G HA3 0.581 4.542 3.960 0.002 0.000 0.289 234 G C -1.999 172.962 174.900 0.102 0.000 1.295 234 G CA -0.096 45.011 45.100 0.013 0.000 0.869 234 G HN 0.697 nan 8.290 nan 0.000 0.522 235 A N -1.587 121.257 122.820 0.040 0.000 2.594 235 A HA 1.028 5.350 4.320 0.002 0.000 0.295 235 A C -0.256 177.340 177.584 0.020 0.000 1.071 235 A CA 0.290 52.367 52.037 0.067 0.000 0.685 235 A CB 1.696 20.757 19.000 0.103 0.000 1.285 235 A HN 2.441 nan 8.150 nan 0.000 0.405 236 G N 1.002 109.804 108.800 0.005 0.000 2.740 236 G HA2 0.610 4.572 3.960 0.002 0.000 0.296 236 G HA3 0.610 4.572 3.960 0.002 0.000 0.296 236 G C -1.126 173.753 174.900 -0.036 0.000 1.439 236 G CA -0.441 44.636 45.100 -0.039 0.000 1.066 236 G HN 0.515 nan 8.290 nan 0.000 0.527 237 M N 2.468 122.040 119.600 -0.047 0.000 2.446 237 M HA 0.515 4.997 4.480 0.002 0.000 0.294 237 M C -1.026 175.235 176.300 -0.066 0.000 1.158 237 M CA -0.543 54.733 55.300 -0.042 0.000 0.899 237 M CB 2.090 34.679 32.600 -0.019 0.000 1.687 237 M HN 0.306 nan 8.290 nan 0.000 0.455 238 L N 1.986 123.176 121.223 -0.056 0.000 2.370 238 L HA 0.756 5.097 4.340 0.002 0.000 0.266 238 L C -0.532 176.322 176.870 -0.027 0.000 1.002 238 L CA -1.222 53.584 54.840 -0.055 0.000 0.818 238 L CB 2.220 44.250 42.059 -0.048 0.000 1.325 238 L HN 0.323 nan 8.230 nan 0.000 0.418 239 V N 3.905 123.816 119.914 -0.006 0.000 2.350 239 V HA 0.377 4.499 4.120 0.002 0.000 0.276 239 V C 0.197 176.306 176.094 0.024 0.000 1.028 239 V CA -0.253 62.046 62.300 -0.002 0.000 0.860 239 V CB 1.551 33.374 31.823 0.001 0.000 0.990 239 V HN 0.478 nan 8.190 nan 0.000 0.453 240 L N 4.882 126.111 121.223 0.010 0.000 2.325 240 L HA 0.708 5.049 4.340 0.002 0.000 0.279 240 L C -0.038 176.841 176.870 0.016 0.000 1.054 240 L CA -0.205 54.650 54.840 0.024 0.000 0.804 240 L CB 1.612 43.676 42.059 0.008 0.000 1.200 240 L HN 0.636 nan 8.230 nan 0.000 0.436 241 E N 1.306 121.530 120.200 0.040 0.000 2.366 241 E HA 0.147 4.498 4.350 0.002 0.000 0.278 241 E C -1.361 175.285 176.600 0.077 0.000 0.923 241 E CA -0.726 55.697 56.400 0.038 0.000 0.761 241 E CB 1.981 31.733 29.700 0.086 0.000 1.231 241 E HN 0.449 nan 8.360 nan 0.000 0.443 242 E N 3.368 123.607 120.200 0.064 0.000 2.324 242 E HA -0.062 4.289 4.350 0.002 0.000 0.271 242 E C 0.211 176.935 176.600 0.208 0.000 1.028 242 E CA 0.148 56.617 56.400 0.114 0.000 0.890 242 E CB 0.415 30.162 29.700 0.077 0.000 1.004 242 E HN 0.623 nan 8.360 nan 0.000 0.431 243 Y N 5.510 125.843 120.300 0.055 0.000 2.003 243 Y HA -0.356 4.196 4.550 0.002 0.000 0.261 243 Y C 1.708 177.641 175.900 0.055 0.000 1.211 243 Y CA 2.605 60.735 58.100 0.050 0.000 1.098 243 Y CB -0.044 38.437 38.460 0.035 0.000 0.925 243 Y HN 0.623 nan 8.280 nan 0.000 0.498 244 E N -1.170 119.029 120.200 -0.001 0.000 2.085 244 E HA -0.260 4.091 4.350 0.002 0.000 0.194 244 E C 2.347 178.934 176.600 -0.022 0.000 0.994 244 E CA 1.504 57.839 56.400 -0.109 0.000 0.801 244 E CB -0.866 28.800 29.700 -0.057 0.000 0.743 244 E HN 0.682 nan 8.360 nan 0.000 0.453 245 H N 0.691 119.751 119.070 -0.016 0.000 2.387 245 H HA -0.030 4.527 4.556 0.002 0.000 0.299 245 H C 1.801 177.125 175.328 -0.006 0.000 1.090 245 H CA 1.553 57.598 56.048 -0.005 0.000 1.332 245 H CB 0.220 29.991 29.762 0.016 0.000 1.386 245 H HN 0.119 nan 8.280 nan 0.000 0.516 246 A N 1.395 124.307 122.820 0.152 0.000 1.832 246 A HA -0.165 4.156 4.320 0.002 0.000 0.214 246 A C 2.536 180.112 177.584 -0.012 0.000 1.200 246 A CA 1.655 53.755 52.037 0.105 0.000 0.610 246 A CB -0.464 18.634 19.000 0.164 0.000 0.842 246 A HN 0.409 nan 8.150 nan 0.000 0.444 247 K N -0.293 120.067 120.400 -0.066 0.000 2.015 247 K HA -0.253 4.069 4.320 0.002 0.000 0.216 247 K C 2.148 178.680 176.600 -0.112 0.000 1.052 247 K CA 2.074 58.291 56.287 -0.118 0.000 0.937 247 K CB -0.252 32.105 32.500 -0.239 0.000 0.719 247 K HN 0.479 nan 8.250 nan 0.000 0.446 248 K N 1.402 121.721 120.400 -0.135 0.000 2.304 248 K HA -0.219 4.103 4.320 0.002 0.000 0.204 248 K C 1.508 178.028 176.600 -0.133 0.000 1.044 248 K CA 1.787 57.993 56.287 -0.135 0.000 0.932 248 K CB 0.010 32.417 32.500 -0.155 0.000 0.735 248 K HN 0.241 nan 8.250 nan 0.000 0.468 249 R N -1.578 118.840 120.500 -0.137 0.000 2.437 249 R HA 0.250 4.591 4.340 0.002 0.000 0.257 249 R C 0.562 176.823 176.300 -0.065 0.000 0.927 249 R CA 0.287 56.321 56.100 -0.109 0.000 1.078 249 R CB 0.249 30.470 30.300 -0.132 0.000 1.161 249 R HN 0.118 nan 8.270 nan 0.000 0.529 250 G N 1.185 109.949 108.800 -0.060 0.000 2.333 250 G HA2 -0.264 3.698 3.960 0.002 0.000 0.296 250 G HA3 -0.264 3.698 3.960 0.002 0.000 0.296 250 G C 0.150 175.029 174.900 -0.035 0.000 1.059 250 G CA 0.150 45.224 45.100 -0.044 0.000 1.050 250 G HN 0.654 nan 8.290 nan 0.000 0.508 251 A N 0.103 122.907 122.820 -0.026 0.000 2.340 251 A HA 0.700 5.022 4.320 0.002 0.000 0.268 251 A C 0.786 178.344 177.584 -0.044 0.000 1.100 251 A CA 0.263 52.289 52.037 -0.019 0.000 0.803 251 A CB 0.475 19.485 19.000 0.016 0.000 1.043 251 A HN 1.298 nan 8.150 nan 0.000 0.488 252 K N 2.064 122.410 120.400 -0.090 0.000 2.276 252 K HA 0.506 4.827 4.320 0.002 0.000 0.283 252 K C -1.223 175.254 176.600 -0.204 0.000 1.044 252 K CA -0.029 56.156 56.287 -0.170 0.000 0.944 252 K CB 0.539 32.889 32.500 -0.251 0.000 1.012 252 K HN 0.506 nan 8.250 nan 0.000 0.472 253 I N 5.148 125.616 120.570 -0.169 0.000 2.359 253 I HA 0.103 4.275 4.170 0.002 0.000 0.284 253 I C 0.049 176.095 176.117 -0.118 0.000 1.018 253 I CA -0.924 60.321 61.300 -0.091 0.000 1.173 253 I CB 0.712 38.727 38.000 0.026 0.000 1.326 253 I HN 0.726 nan 8.210 nan 0.000 0.462 254 Y N 4.991 125.275 120.300 -0.028 0.000 2.145 254 Y HA -0.001 4.551 4.550 0.003 0.000 0.286 254 Y C 1.374 177.233 175.900 -0.070 0.000 1.145 254 Y CA 1.241 59.302 58.100 -0.065 0.000 1.148 254 Y CB 0.043 38.443 38.460 -0.100 0.000 0.981 254 Y HN 0.696 nan 8.280 nan 0.000 0.507 255 A N -1.290 121.597 122.820 0.112 0.000 2.456 255 A HA 0.427 4.748 4.320 0.002 0.000 0.294 255 A C -1.471 176.157 177.584 0.073 0.000 1.057 255 A CA -0.824 51.246 52.037 0.056 0.000 0.623 255 A CB 0.567 19.587 19.000 0.034 0.000 1.338 255 A HN 0.025 nan 8.150 nan 0.000 0.464 256 E N 0.051 120.292 120.200 0.068 0.000 2.212 256 E HA 0.591 4.943 4.350 0.002 0.000 0.268 256 E C -1.488 175.191 176.600 0.130 0.000 0.902 256 E CA -0.610 55.817 56.400 0.045 0.000 0.779 256 E CB 1.530 31.180 29.700 -0.084 0.000 1.172 256 E HN 0.591 nan 8.360 nan 0.000 0.409 257 L N 5.921 127.188 121.223 0.073 0.000 2.268 257 L HA 0.148 4.489 4.340 0.002 0.000 0.289 257 L C 0.903 177.727 176.870 -0.077 0.000 1.064 257 L CA -0.268 54.534 54.840 -0.063 0.000 0.824 257 L CB 0.887 42.897 42.059 -0.082 0.000 1.202 257 L HN 0.615 nan 8.230 nan 0.000 0.433 258 V N 1.174 121.040 119.914 -0.079 0.000 3.263 258 V HA 0.518 4.639 4.120 0.002 0.000 0.248 258 V C 0.671 176.757 176.094 -0.014 0.000 1.145 258 V CA 0.667 62.961 62.300 -0.010 0.000 1.107 258 V CB 0.222 32.094 31.823 0.082 0.000 0.797 258 V HN 0.655 nan 8.190 nan 0.000 0.467 259 G N -0.312 108.457 108.800 -0.053 0.000 2.696 259 G HA2 0.614 4.576 3.960 0.002 0.000 0.295 259 G HA3 0.614 4.576 3.960 0.002 0.000 0.295 259 G C -2.146 172.777 174.900 0.038 0.000 1.398 259 G CA -0.595 44.498 45.100 -0.011 0.000 0.920 259 G HN 0.316 nan 8.290 nan 0.000 0.492 260 F N 1.077 120.955 119.950 -0.119 0.000 2.630 260 F HA 0.735 5.263 4.527 0.002 0.000 0.325 260 F C -0.288 175.467 175.800 -0.075 0.000 1.184 260 F CA -1.045 56.882 58.000 -0.121 0.000 1.011 260 F CB 1.855 40.764 39.000 -0.152 0.000 1.268 260 F HN 0.830 nan 8.300 nan 0.000 0.480 261 G N 6.176 114.762 108.800 -0.356 0.000 2.591 261 G HA2 0.673 4.634 3.960 0.002 0.000 0.306 261 G HA3 0.673 4.634 3.960 0.002 0.000 0.306 261 G C -1.726 172.947 174.900 -0.378 0.000 1.334 261 G CA -0.933 43.930 45.100 -0.395 0.000 0.981 261 G HN 0.621 nan 8.290 nan 0.000 0.491 262 M N 1.043 120.446 119.600 -0.328 0.000 2.644 262 M HA 0.740 5.221 4.480 0.002 0.000 0.304 262 M C -0.005 176.269 176.300 -0.043 0.000 1.215 262 M CA -0.828 54.403 55.300 -0.115 0.000 0.871 262 M CB 2.799 35.327 32.600 -0.121 0.000 1.740 262 M HN 0.747 nan 8.290 nan 0.000 0.464 263 S N 0.000 115.720 115.700 0.033 0.000 2.611 263 S HA 0.765 5.236 4.470 0.002 0.000 0.268 263 S C -1.453 173.175 174.600 0.046 0.000 1.156 263 S CA -0.829 57.382 58.200 0.019 0.000 0.817 263 S CB 1.994 65.197 63.200 0.006 0.000 1.122 263 S HN 0.607 nan 8.310 nan 0.000 0.466 264 S N 0.671 116.388 115.700 0.029 0.000 2.538 264 S HA 0.455 4.926 4.470 0.002 0.000 0.288 264 S C -0.252 174.367 174.600 0.032 0.000 1.108 264 S CA -0.653 57.572 58.200 0.042 0.000 0.971 264 S CB 1.723 64.948 63.200 0.041 0.000 1.041 264 S HN 0.730 nan 8.310 nan 0.000 0.483 265 D N 2.358 122.787 120.400 0.047 0.000 2.144 265 D HA 0.065 4.706 4.640 0.002 0.000 0.200 265 D C 1.352 177.713 176.300 0.102 0.000 0.978 265 D CA 1.287 55.322 54.000 0.058 0.000 0.833 265 D CB -0.212 40.646 40.800 0.097 0.000 0.961 265 D HN 0.867 nan 8.370 nan 0.000 0.470 266 A N -0.902 121.977 122.820 0.097 0.000 2.783 266 A HA -0.294 4.028 4.320 0.002 0.000 0.292 266 A C 0.699 178.373 177.584 0.150 0.000 1.495 266 A CA 1.649 53.738 52.037 0.088 0.000 0.787 266 A CB -2.279 16.757 19.000 0.060 0.000 1.017 266 A HN 0.524 nan 8.150 nan 0.000 0.516 267 Y N -1.501 118.816 120.300 0.028 0.000 2.972 267 Y HA 0.527 5.078 4.550 0.002 0.000 0.229 267 Y C 0.683 176.642 175.900 0.098 0.000 0.980 267 Y CA 1.167 59.299 58.100 0.053 0.000 1.475 267 Y CB 0.583 39.074 38.460 0.052 0.000 1.459 267 Y HN 0.639 nan 8.280 nan 0.000 0.460 268 H N 0.290 119.294 119.070 -0.110 0.000 2.930 268 H HA 0.271 4.828 4.556 0.002 0.000 0.371 268 H C 0.904 176.199 175.328 -0.055 0.000 1.169 268 H CA -0.147 55.772 56.048 -0.216 0.000 1.157 268 H CB 1.626 31.193 29.762 -0.325 0.000 1.789 268 H HN 0.305 nan 8.280 nan 0.000 0.547 269 M N 1.752 121.013 119.600 -0.565 0.000 2.213 269 M HA -0.037 4.444 4.480 0.002 0.000 0.263 269 M C 0.313 176.508 176.300 -0.175 0.000 1.062 269 M CA 2.397 57.519 55.300 -0.298 0.000 1.105 269 M CB -0.101 32.287 32.600 -0.353 0.000 1.385 269 M HN 0.572 nan 8.290 nan 0.000 0.417 270 T N -3.097 111.446 114.554 -0.018 0.000 3.231 270 T HA 0.436 4.787 4.350 0.002 0.000 0.292 270 T C 0.097 174.876 174.700 0.133 0.000 1.001 270 T CA -0.139 61.808 62.100 -0.256 0.000 0.920 270 T CB 0.216 68.757 68.868 -0.544 0.000 1.140 270 T HN 0.348 nan 8.240 nan 0.000 0.525 271 S N 1.952 117.853 115.700 0.334 0.000 2.537 271 S HA 0.690 5.161 4.470 0.002 0.000 0.271 271 S C -3.151 171.650 174.600 0.335 0.000 1.148 271 S CA -1.065 57.284 58.200 0.249 0.000 0.868 271 S CB 2.082 65.310 63.200 0.047 0.000 1.115 271 S HN 0.104 nan 8.310 nan 0.000 0.461 272 P HA 0.543 nan 4.420 nan 0.000 0.283 272 P C -2.941 174.266 177.300 -0.155 0.000 1.278 272 P CA -1.915 61.232 63.100 0.079 0.000 0.834 272 P CB -0.012 31.676 31.700 -0.019 0.000 1.150 273 P HA 0.205 nan 4.420 nan 0.000 0.278 273 P C 0.695 177.779 177.300 -0.360 0.000 1.238 273 P CA -0.059 62.513 63.100 -0.881 0.000 0.794 273 P CB 1.007 32.233 31.700 -0.791 0.000 0.955 274 E N 1.465 121.509 120.200 -0.260 0.000 2.171 274 E HA -0.234 4.118 4.350 0.002 0.000 0.197 274 E C 1.539 178.088 176.600 -0.086 0.000 0.997 274 E CA 1.247 57.583 56.400 -0.108 0.000 0.810 274 E CB -0.194 29.471 29.700 -0.058 0.000 0.738 274 E HN 0.588 nan 8.360 nan 0.000 0.467 275 N N 0.507 119.134 118.700 -0.121 0.000 2.515 275 N HA -0.091 4.651 4.740 0.002 0.000 0.185 275 N C 1.215 176.681 175.510 -0.073 0.000 1.109 275 N CA 1.070 54.072 53.050 -0.079 0.000 0.903 275 N CB 0.209 38.652 38.487 -0.074 0.000 0.969 275 N HN 0.147 nan 8.380 nan 0.000 0.450 276 G N 0.423 109.157 108.800 -0.110 0.000 2.258 276 G HA2 -0.337 3.624 3.960 0.002 0.000 0.274 276 G HA3 -0.337 3.624 3.960 0.002 0.000 0.274 276 G C 1.034 175.865 174.900 -0.115 0.000 1.021 276 G CA 0.711 45.741 45.100 -0.117 0.000 0.798 276 G HN 0.731 nan 8.290 nan 0.000 0.507 277 A N -0.445 122.309 122.820 -0.111 0.000 1.978 277 A HA 0.204 4.525 4.320 0.002 0.000 0.220 277 A C 2.723 180.255 177.584 -0.087 0.000 1.170 277 A CA 2.222 54.210 52.037 -0.081 0.000 0.636 277 A CB -0.728 18.230 19.000 -0.071 0.000 0.810 277 A HN 1.572 nan 8.150 nan 0.000 0.448 278 G N -0.595 108.129 108.800 -0.126 0.000 2.414 278 G HA2 0.036 3.997 3.960 0.002 0.000 0.215 278 G HA3 0.036 3.997 3.960 0.002 0.000 0.215 278 G C 1.783 176.585 174.900 -0.163 0.000 1.188 278 G CA 1.349 46.373 45.100 -0.128 0.000 0.783 278 G HN 0.788 nan 8.290 nan 0.000 0.537 279 A N 1.250 123.882 122.820 -0.312 0.000 1.902 279 A HA 0.217 4.538 4.320 0.002 0.000 0.217 279 A C 2.830 180.413 177.584 -0.002 0.000 1.181 279 A CA 2.381 54.242 52.037 -0.293 0.000 0.623 279 A CB -0.881 17.824 19.000 -0.491 0.000 0.818 279 A HN 0.831 nan 8.150 nan 0.000 0.443 280 A N -0.332 122.476 122.820 -0.020 0.000 1.883 280 A HA -0.134 4.187 4.320 0.002 0.000 0.217 280 A C 2.233 179.817 177.584 0.001 0.000 1.186 280 A CA 1.607 53.653 52.037 0.015 0.000 0.624 280 A CB -0.692 18.306 19.000 -0.004 0.000 0.822 280 A HN 0.514 nan 8.150 nan 0.000 0.444 281 L N -0.904 120.308 121.223 -0.017 0.000 2.012 281 L HA -0.225 4.116 4.340 0.002 0.000 0.210 281 L C 3.023 179.885 176.870 -0.013 0.000 1.073 281 L CA 1.494 56.321 54.840 -0.022 0.000 0.748 281 L CB -0.537 41.506 42.059 -0.027 0.000 0.891 281 L HN 0.474 nan 8.230 nan 0.000 0.431 282 A N -0.392 122.438 122.820 0.017 0.000 1.883 282 A HA -0.273 4.049 4.320 0.002 0.000 0.217 282 A C 2.204 179.806 177.584 0.030 0.000 1.186 282 A CA 1.973 54.030 52.037 0.034 0.000 0.624 282 A CB -0.457 18.618 19.000 0.124 0.000 0.822 282 A HN 0.442 nan 8.150 nan 0.000 0.444 283 M N -0.768 118.872 119.600 0.067 0.000 2.099 283 M HA -0.132 4.350 4.480 0.002 0.000 0.262 283 M C 2.585 178.871 176.300 -0.025 0.000 1.067 283 M CA 1.416 56.748 55.300 0.052 0.000 1.124 283 M CB -0.499 32.166 32.600 0.109 0.000 1.353 283 M HN 0.487 nan 8.290 nan 0.000 0.410 284 A N 0.785 123.581 122.820 -0.040 0.000 1.940 284 A HA -0.183 4.139 4.320 0.002 0.000 0.219 284 A C 1.795 179.337 177.584 -0.071 0.000 1.176 284 A CA 1.896 53.889 52.037 -0.073 0.000 0.631 284 A CB -0.751 18.212 19.000 -0.063 0.000 0.814 284 A HN 0.477 nan 8.150 nan 0.000 0.446 285 N N 0.166 118.828 118.700 -0.063 0.000 2.270 285 N HA 0.007 4.748 4.740 0.002 0.000 0.181 285 N C 1.806 177.266 175.510 -0.083 0.000 1.016 285 N CA 1.336 54.338 53.050 -0.080 0.000 0.870 285 N CB -0.509 37.918 38.487 -0.100 0.000 0.979 285 N HN 0.464 nan 8.380 nan 0.000 0.431 286 A N 1.034 123.813 122.820 -0.067 0.000 1.898 286 A HA -0.012 4.309 4.320 0.002 0.000 0.216 286 A C 2.307 179.857 177.584 -0.056 0.000 1.181 286 A CA 0.807 52.815 52.037 -0.049 0.000 0.620 286 A CB -0.674 18.316 19.000 -0.016 0.000 0.819 286 A HN 0.176 nan 8.150 nan 0.000 0.442 287 L N -0.823 120.354 121.223 -0.076 0.000 1.994 287 L HA -0.196 4.145 4.340 0.002 0.000 0.208 287 L C 2.787 179.603 176.870 -0.090 0.000 1.071 287 L CA 1.939 56.716 54.840 -0.105 0.000 0.745 287 L CB -0.519 41.453 42.059 -0.145 0.000 0.892 287 L HN 0.491 nan 8.230 nan 0.000 0.431 288 R N 0.159 120.611 120.500 -0.079 0.000 2.127 288 R HA -0.241 4.100 4.340 0.002 0.000 0.238 288 R C 1.892 178.163 176.300 -0.049 0.000 1.134 288 R CA 2.134 58.196 56.100 -0.064 0.000 0.975 288 R CB -0.280 29.985 30.300 -0.059 0.000 0.865 288 R HN 0.322 nan 8.270 nan 0.000 0.447 289 D N -0.090 120.282 120.400 -0.047 0.000 2.123 289 D HA -0.053 4.589 4.640 0.002 0.000 0.200 289 D C 1.579 177.869 176.300 -0.016 0.000 0.976 289 D CA 1.538 55.521 54.000 -0.028 0.000 0.831 289 D CB -0.010 40.775 40.800 -0.025 0.000 0.974 289 D HN 0.372 nan 8.370 nan 0.000 0.469 290 A N -0.773 122.031 122.820 -0.025 0.000 2.167 290 A HA 0.368 4.689 4.320 0.002 0.000 0.214 290 A C 1.881 179.452 177.584 -0.021 0.000 1.151 290 A CA 1.187 53.218 52.037 -0.011 0.000 0.735 290 A CB -0.596 18.396 19.000 -0.014 0.000 0.802 290 A HN 0.455 nan 8.150 nan 0.000 0.467 291 G N -0.498 108.277 108.800 -0.042 0.000 2.153 291 G HA2 -0.281 3.681 3.960 0.002 0.000 0.252 291 G HA3 -0.281 3.681 3.960 0.002 0.000 0.252 291 G C 0.270 175.126 174.900 -0.074 0.000 0.994 291 G CA 0.742 45.816 45.100 -0.044 0.000 0.698 291 G HN 1.339 nan 8.290 nan 0.000 0.521 292 I N -4.030 116.462 120.570 -0.130 0.000 3.205 292 I HA 0.925 5.096 4.170 0.002 0.000 0.310 292 I C 0.066 176.073 176.117 -0.183 0.000 1.089 292 I CA -1.485 59.694 61.300 -0.202 0.000 1.023 292 I CB 1.326 39.071 38.000 -0.425 0.000 1.269 292 I HN -0.020 nan 8.210 nan 0.000 0.512 293 E N 0.500 120.586 120.200 -0.190 0.000 2.207 293 E HA 0.449 4.800 4.350 0.002 0.000 0.270 293 E C 0.573 177.052 176.600 -0.202 0.000 0.927 293 E CA -0.608 55.692 56.400 -0.167 0.000 0.799 293 E CB 2.048 31.678 29.700 -0.116 0.000 1.172 293 E HN 0.771 nan 8.360 nan 0.000 0.404 294 A N 1.969 124.629 122.820 -0.268 0.000 2.009 294 A HA -0.262 4.059 4.320 0.002 0.000 0.222 294 A C 1.961 179.455 177.584 -0.150 0.000 1.175 294 A CA 2.451 54.232 52.037 -0.426 0.000 0.651 294 A CB -0.695 17.832 19.000 -0.787 0.000 0.815 294 A HN 0.603 nan 8.150 nan 0.000 0.459 295 S N -0.537 115.122 115.700 -0.068 0.000 2.469 295 S HA -0.191 4.280 4.470 0.002 0.000 0.238 295 S C 1.584 176.217 174.600 0.055 0.000 0.998 295 S CA 1.289 59.512 58.200 0.038 0.000 0.957 295 S CB -0.351 62.857 63.200 0.013 0.000 0.764 295 S HN 0.773 nan 8.310 nan 0.000 0.514 296 Q N 0.032 119.824 119.800 -0.014 0.000 2.451 296 Q HA 0.228 4.570 4.340 0.002 0.000 0.206 296 Q C -0.385 175.670 176.000 0.092 0.000 0.947 296 Q CA 0.074 55.870 55.803 -0.011 0.000 0.937 296 Q CB 0.031 28.638 28.738 -0.219 0.000 1.025 296 Q HN 0.429 nan 8.270 nan 0.000 0.511 297 I N 0.815 121.472 120.570 0.144 0.000 2.452 297 I HA 0.027 4.199 4.170 0.002 0.000 0.287 297 I C 1.381 177.649 176.117 0.252 0.000 1.079 297 I CA 0.077 61.530 61.300 0.255 0.000 1.387 297 I CB 0.697 38.922 38.000 0.374 0.000 1.404 297 I HN 0.086 nan 8.210 nan 0.000 0.522 298 G N 6.391 115.346 108.800 0.258 0.000 2.426 298 G HA2 -0.129 3.833 3.960 0.002 0.000 0.214 298 G HA3 -0.129 3.833 3.960 0.002 0.000 0.214 298 G C 0.052 175.102 174.900 0.250 0.000 1.156 298 G CA 0.569 45.800 45.100 0.219 0.000 0.802 298 G HN 0.517 nan 8.290 nan 0.000 0.534 299 Y N -0.608 119.758 120.300 0.110 0.000 2.544 299 Y HA 0.597 5.148 4.550 0.002 0.000 0.342 299 Y C -1.633 174.329 175.900 0.103 0.000 1.062 299 Y CA -1.669 56.479 58.100 0.079 0.000 1.023 299 Y CB 1.847 40.370 38.460 0.104 0.000 1.308 299 Y HN -0.080 nan 8.280 nan 0.000 0.457 300 V N 5.249 124.889 119.914 -0.457 0.000 2.409 300 V HA 0.291 4.412 4.120 0.002 0.000 0.291 300 V C -0.730 174.944 176.094 -0.699 0.000 1.020 300 V CA -0.899 61.139 62.300 -0.436 0.000 0.848 300 V CB 1.403 33.116 31.823 -0.183 0.000 0.990 300 V HN 0.763 nan 8.190 nan 0.000 0.430 301 N N 4.054 122.404 118.700 -0.583 0.000 2.521 301 N HA 0.514 5.256 4.740 0.002 0.000 0.236 301 N C 0.318 175.799 175.510 -0.048 0.000 1.067 301 N CA -0.099 52.789 53.050 -0.271 0.000 0.939 301 N CB 0.877 39.327 38.487 -0.061 0.000 1.201 301 N HN 0.897 nan 8.380 nan 0.000 0.511 302 A N 2.204 125.071 122.820 0.078 0.000 2.455 302 A HA -0.022 4.299 4.320 0.002 0.000 0.244 302 A C 1.063 178.676 177.584 0.048 0.000 1.099 302 A CA 0.150 52.287 52.037 0.166 0.000 0.786 302 A CB 0.112 19.408 19.000 0.494 0.000 1.051 302 A HN 0.944 nan 8.150 nan 0.000 0.508 303 H N 0.461 119.448 119.070 -0.138 0.000 2.448 303 H HA 0.169 4.727 4.556 0.002 0.000 0.292 303 H C 1.569 176.736 175.328 -0.268 0.000 1.035 303 H CA 1.084 56.954 56.048 -0.297 0.000 1.349 303 H CB -0.625 28.856 29.762 -0.468 0.000 1.425 303 H HN 1.045 nan 8.280 nan 0.000 0.539 304 G N 1.240 109.885 108.800 -0.257 0.000 2.232 304 G HA2 -0.305 3.657 3.960 0.002 0.000 0.240 304 G HA3 -0.305 3.657 3.960 0.002 0.000 0.240 304 G C 1.124 175.645 174.900 -0.632 0.000 0.424 304 G CA 1.059 45.774 45.100 -0.641 0.000 1.047 304 G HN 0.716 nan 8.290 nan 0.000 0.442 305 T N -1.411 112.800 114.554 -0.572 0.000 3.081 305 T HA 0.324 4.675 4.350 0.002 0.000 0.255 305 T C 1.447 176.006 174.700 -0.236 0.000 1.113 305 T CA 1.152 62.969 62.100 -0.470 0.000 1.082 305 T CB 0.204 68.752 68.868 -0.533 0.000 0.939 305 T HN 1.744 nan 8.240 nan 0.000 0.506 306 S N 0.633 116.152 115.700 -0.302 0.000 3.461 306 S HA -0.129 4.342 4.470 0.002 0.000 0.282 306 S C 0.221 174.776 174.600 -0.076 0.000 1.262 306 S CA 0.670 58.750 58.200 -0.200 0.000 0.853 306 S CB -2.240 60.888 63.200 -0.120 0.000 1.048 306 S HN 1.280 nan 8.310 nan 0.000 0.644 307 T N -1.075 113.445 114.554 -0.057 0.000 2.902 307 T HA 0.674 5.026 4.350 0.002 0.000 0.283 307 T C -1.464 173.234 174.700 -0.002 0.000 1.009 307 T CA -1.554 60.565 62.100 0.031 0.000 1.051 307 T CB 1.596 70.533 68.868 0.116 0.000 0.999 307 T HN -0.063 nan 8.240 nan 0.000 0.474 308 P HA -0.021 nan 4.420 nan 0.000 0.215 308 P C 1.585 178.904 177.300 0.031 0.000 1.157 308 P CA 1.484 64.597 63.100 0.022 0.000 0.868 308 P CB -0.169 31.551 31.700 0.032 0.000 0.788 309 A N -0.662 122.186 122.820 0.047 0.000 1.970 309 A HA 0.072 4.394 4.320 0.002 0.000 0.216 309 A C 2.415 180.035 177.584 0.060 0.000 1.170 309 A CA 1.671 53.739 52.037 0.052 0.000 0.645 309 A CB -1.661 17.371 19.000 0.054 0.000 0.816 309 A HN 0.260 nan 8.150 nan 0.000 0.447 310 G N -0.026 108.816 108.800 0.070 0.000 2.402 310 G HA2 -0.174 3.788 3.960 0.002 0.000 0.216 310 G HA3 -0.174 3.788 3.960 0.002 0.000 0.216 310 G C 1.051 175.993 174.900 0.071 0.000 1.162 310 G CA 1.175 46.330 45.100 0.091 0.000 0.777 310 G HN 0.431 nan 8.290 nan 0.000 0.539 311 D N 0.761 121.144 120.400 -0.029 0.000 2.117 311 D HA -0.032 4.609 4.640 0.002 0.000 0.198 311 D C 2.499 178.929 176.300 0.216 0.000 0.982 311 D CA 0.816 54.754 54.000 -0.104 0.000 0.828 311 D CB -0.103 40.426 40.800 -0.451 0.000 0.967 311 D HN 0.304 nan 8.370 nan 0.000 0.464 312 K N 0.714 121.210 120.400 0.159 0.000 2.026 312 K HA -0.031 4.291 4.320 0.002 0.000 0.208 312 K C 2.181 178.881 176.600 0.167 0.000 1.048 312 K CA 1.205 57.602 56.287 0.184 0.000 0.929 312 K CB -0.146 32.422 32.500 0.112 0.000 0.713 312 K HN 0.034 nan 8.250 nan 0.000 0.439 313 A N 1.674 124.562 122.820 0.114 0.000 1.908 313 A HA -0.259 4.063 4.320 0.002 0.000 0.218 313 A C 2.126 179.779 177.584 0.115 0.000 1.181 313 A CA 1.838 53.914 52.037 0.065 0.000 0.627 313 A CB -0.507 18.490 19.000 -0.005 0.000 0.818 313 A HN 0.426 nan 8.150 nan 0.000 0.445 314 E N -0.282 120.052 120.200 0.222 0.000 2.077 314 E HA -0.101 4.250 4.350 0.002 0.000 0.193 314 E C 2.155 178.952 176.600 0.328 0.000 0.989 314 E CA 1.017 57.616 56.400 0.332 0.000 0.800 314 E CB -0.274 29.741 29.700 0.525 0.000 0.746 314 E HN 0.539 nan 8.360 nan 0.000 0.452 315 A N 0.777 123.824 122.820 0.378 0.000 1.883 315 A HA -0.282 4.040 4.320 0.002 0.000 0.217 315 A C 2.173 179.863 177.584 0.176 0.000 1.186 315 A CA 1.859 54.071 52.037 0.292 0.000 0.624 315 A CB -0.765 18.430 19.000 0.325 0.000 0.822 315 A HN 0.282 nan 8.150 nan 0.000 0.444 316 Q N -0.143 119.747 119.800 0.149 0.000 2.045 316 Q HA -0.139 4.202 4.340 0.002 0.000 0.206 316 Q C 2.182 178.236 176.000 0.091 0.000 0.991 316 Q CA 2.530 58.388 55.803 0.092 0.000 0.851 316 Q CB -0.879 27.893 28.738 0.058 0.000 0.911 316 Q HN 0.580 nan 8.270 nan 0.000 0.418 317 A N -0.726 122.155 122.820 0.100 0.000 1.940 317 A HA -0.158 4.163 4.320 0.002 0.000 0.219 317 A C 2.347 180.035 177.584 0.173 0.000 1.176 317 A CA 1.752 53.853 52.037 0.106 0.000 0.631 317 A CB -0.828 18.227 19.000 0.092 0.000 0.814 317 A HN 0.278 nan 8.150 nan 0.000 0.446 318 V N -0.361 119.675 119.914 0.203 0.000 2.358 318 V HA -0.249 3.872 4.120 0.002 0.000 0.246 318 V C 2.475 178.723 176.094 0.258 0.000 1.047 318 V CA 2.405 64.856 62.300 0.252 0.000 1.035 318 V CB -0.575 31.302 31.823 0.090 0.000 0.658 318 V HN 0.560 nan 8.190 nan 0.000 0.452 319 K N -0.295 120.184 120.400 0.131 0.000 2.063 319 K HA -0.165 4.157 4.320 0.002 0.000 0.208 319 K C 2.183 178.847 176.600 0.107 0.000 1.048 319 K CA 2.014 58.356 56.287 0.093 0.000 0.928 319 K CB -0.477 32.052 32.500 0.049 0.000 0.713 319 K HN 0.482 nan 8.250 nan 0.000 0.442 320 T N 1.297 115.908 114.554 0.095 0.000 2.708 320 T HA -0.092 4.259 4.350 0.002 0.000 0.266 320 T C 1.705 176.428 174.700 0.038 0.000 1.037 320 T CA 1.096 63.229 62.100 0.055 0.000 1.146 320 T CB -0.062 68.829 68.868 0.038 0.000 0.865 320 T HN 0.062 nan 8.240 nan 0.000 0.435 321 I N 0.008 120.617 120.570 0.065 0.000 2.406 321 I HA 0.043 4.214 4.170 0.002 0.000 0.249 321 I C 1.898 177.870 176.117 -0.243 0.000 1.122 321 I CA 1.286 62.527 61.300 -0.098 0.000 1.431 321 I CB -1.024 36.884 38.000 -0.154 0.000 1.087 321 I HN 0.209 nan 8.210 nan 0.000 0.424 322 F N 0.838 120.782 119.950 -0.010 0.000 2.387 322 F HA 0.260 4.788 4.527 0.002 0.000 0.294 322 F C 2.239 178.026 175.800 -0.021 0.000 1.093 322 F CA 0.709 58.699 58.000 -0.018 0.000 1.420 322 F CB -1.111 37.877 39.000 -0.020 0.000 1.086 322 F HN 0.199 nan 8.300 nan 0.000 0.531 323 G N 0.639 109.517 108.800 0.131 0.000 2.952 323 G HA2 -0.527 3.434 3.960 0.002 0.000 0.346 323 G HA3 -0.527 3.434 3.960 0.002 0.000 0.346 323 G C 1.312 176.244 174.900 0.052 0.000 1.191 323 G CA 1.299 46.436 45.100 0.061 0.000 0.961 323 G HN 0.281 nan 8.290 nan 0.000 0.588 324 E N 0.892 121.115 120.200 0.038 0.000 2.023 324 E HA 0.172 4.523 4.350 0.002 0.000 0.196 324 E C 2.940 179.564 176.600 0.040 0.000 1.003 324 E CA 2.360 58.776 56.400 0.028 0.000 0.809 324 E CB -0.812 28.899 29.700 0.018 0.000 0.755 324 E HN 1.011 nan 8.360 nan 0.000 0.449 325 A N 0.235 123.100 122.820 0.074 0.000 2.248 325 A HA 0.088 4.409 4.320 0.002 0.000 0.210 325 A C 2.136 179.769 177.584 0.082 0.000 1.174 325 A CA 1.247 53.340 52.037 0.094 0.000 0.750 325 A CB -0.727 18.363 19.000 0.149 0.000 0.780 325 A HN 0.302 nan 8.150 nan 0.000 0.478 326 A N 0.526 123.394 122.820 0.081 0.000 2.009 326 A HA -0.217 4.104 4.320 0.002 0.000 0.222 326 A C 2.376 179.887 177.584 -0.122 0.000 1.175 326 A CA 2.420 54.452 52.037 -0.009 0.000 0.651 326 A CB -0.764 18.234 19.000 -0.002 0.000 0.815 326 A HN 0.915 nan 8.150 nan 0.000 0.459 327 S N -1.652 113.997 115.700 -0.084 0.000 2.486 327 S HA 0.089 4.560 4.470 0.002 0.000 0.220 327 S C 1.750 176.294 174.600 -0.093 0.000 1.011 327 S CA 0.606 58.739 58.200 -0.111 0.000 0.921 327 S CB -0.097 63.057 63.200 -0.078 0.000 0.785 327 S HN 0.602 nan 8.310 nan 0.000 0.517 328 R N 0.639 121.108 120.500 -0.051 0.000 2.276 328 R HA 0.315 4.657 4.340 0.002 0.000 0.196 328 R C 0.131 176.415 176.300 -0.027 0.000 0.961 328 R CA 0.061 56.146 56.100 -0.024 0.000 1.024 328 R CB 0.278 30.585 30.300 0.013 0.000 0.940 328 R HN 0.331 nan 8.270 nan 0.000 0.480 329 V N 1.600 121.465 119.914 -0.081 0.000 2.539 329 V HA 0.345 4.467 4.120 0.002 0.000 0.292 329 V C -0.589 175.423 176.094 -0.137 0.000 1.045 329 V CA -0.722 61.511 62.300 -0.113 0.000 0.945 329 V CB 1.490 33.133 31.823 -0.301 0.000 0.993 329 V HN 0.068 nan 8.190 nan 0.000 0.464 330 L N 6.815 128.025 121.223 -0.021 0.000 2.289 330 L HA 0.629 4.970 4.340 0.002 0.000 0.285 330 L C -0.677 176.272 176.870 0.132 0.000 1.049 330 L CA -0.643 54.221 54.840 0.039 0.000 0.804 330 L CB 1.596 43.719 42.059 0.106 0.000 1.195 330 L HN 0.358 nan 8.230 nan 0.000 0.428 331 V N 1.916 121.865 119.914 0.058 0.000 2.604 331 V HA 0.686 4.808 4.120 0.002 0.000 0.305 331 V C -0.187 176.078 176.094 0.285 0.000 1.043 331 V CA -0.394 61.969 62.300 0.105 0.000 0.888 331 V CB 1.955 33.759 31.823 -0.032 0.000 0.995 331 V HN 0.923 nan 8.190 nan 0.000 0.429 332 S N 2.268 118.216 115.700 0.415 0.000 2.550 332 S HA 0.676 5.147 4.470 0.002 0.000 0.270 332 S C -0.871 173.996 174.600 0.444 0.000 1.145 332 S CA -0.607 57.870 58.200 0.461 0.000 0.852 332 S CB 2.095 65.544 63.200 0.415 0.000 1.119 332 S HN 0.787 nan 8.310 nan 0.000 0.465 333 S N 1.503 117.438 115.700 0.393 0.000 2.601 333 S HA 0.419 4.891 4.470 0.002 0.000 0.312 333 S C 1.126 175.790 174.600 0.107 0.000 1.107 333 S CA -0.059 58.248 58.200 0.178 0.000 1.129 333 S CB 0.166 63.318 63.200 -0.080 0.000 0.982 333 S HN 0.997 nan 8.310 nan 0.000 0.469 334 T N 2.520 117.162 114.554 0.146 0.000 3.025 334 T HA -0.004 4.348 4.350 0.002 0.000 0.270 334 T C 1.351 176.087 174.700 0.059 0.000 1.126 334 T CA 0.697 62.863 62.100 0.109 0.000 1.105 334 T CB -0.279 68.695 68.868 0.178 0.000 0.884 334 T HN 0.623 nan 8.240 nan 0.000 0.522 335 K N 1.704 122.109 120.400 0.008 0.000 2.362 335 K HA -0.031 4.290 4.320 0.002 0.000 0.200 335 K C 2.542 179.123 176.600 -0.032 0.000 1.046 335 K CA 1.175 57.441 56.287 -0.035 0.000 0.952 335 K CB -0.199 32.203 32.500 -0.164 0.000 0.753 335 K HN 0.621 nan 8.250 nan 0.000 0.466 336 S N 0.255 115.932 115.700 -0.039 0.000 2.469 336 S HA -0.096 4.376 4.470 0.002 0.000 0.238 336 S C 1.768 176.358 174.600 -0.016 0.000 0.998 336 S CA 1.017 59.195 58.200 -0.037 0.000 0.957 336 S CB -0.067 63.114 63.200 -0.031 0.000 0.764 336 S HN 0.248 nan 8.310 nan 0.000 0.514 337 M N -0.394 119.202 119.600 -0.007 0.000 2.669 337 M HA 0.165 4.647 4.480 0.002 0.000 0.248 337 M C 2.140 178.450 176.300 0.017 0.000 1.382 337 M CA 0.598 55.893 55.300 -0.008 0.000 1.158 337 M CB 0.175 32.755 32.600 -0.034 0.000 1.371 337 M HN 0.183 nan 8.290 nan 0.000 0.540 338 T N 0.356 114.932 114.554 0.037 0.000 2.937 338 T HA 0.260 4.611 4.350 0.002 0.000 0.260 338 T C 0.803 175.555 174.700 0.086 0.000 1.051 338 T CA 1.457 63.601 62.100 0.073 0.000 1.141 338 T CB -0.004 68.939 68.868 0.127 0.000 0.879 338 T HN 0.646 nan 8.240 nan 0.000 0.459 339 G N 0.487 109.335 108.800 0.081 0.000 2.610 339 G HA2 -0.131 3.831 3.960 0.002 0.000 0.304 339 G HA3 -0.131 3.831 3.960 0.002 0.000 0.304 339 G C -0.963 174.017 174.900 0.133 0.000 1.309 339 G CA -0.545 44.626 45.100 0.117 0.000 0.906 339 G HN 0.512 nan 8.290 nan 0.000 0.521 340 H N 0.954 120.045 119.070 0.034 0.000 2.581 340 H HA 0.574 5.132 4.556 0.002 0.000 0.308 340 H C 1.309 176.590 175.328 -0.079 0.000 1.040 340 H CA -0.937 55.058 56.048 -0.089 0.000 1.231 340 H CB 0.276 29.897 29.762 -0.235 0.000 1.396 340 H HN 0.564 nan 8.280 nan 0.000 0.467 341 L N 5.881 127.203 121.223 0.165 0.000 2.737 341 L HA 0.152 4.494 4.340 0.002 0.000 0.236 341 L C 1.150 177.970 176.870 -0.083 0.000 1.219 341 L CA -0.181 54.674 54.840 0.025 0.000 1.021 341 L CB -0.761 41.335 42.059 0.062 0.000 1.291 341 L HN 0.529 nan 8.230 nan 0.000 0.470 342 L N 0.268 121.283 121.223 -0.346 0.000 4.830 342 L HA -0.379 3.962 4.340 0.002 0.000 0.053 342 L C 2.132 178.936 176.870 -0.110 0.000 3.209 342 L CA 1.444 56.044 54.840 -0.401 0.000 1.500 342 L CB -1.986 39.838 42.059 -0.390 0.000 2.957 342 L HN 0.367 nan 8.230 nan 0.000 0.877 343 G N -1.051 107.696 108.800 -0.089 0.000 2.501 343 G HA2 0.033 3.994 3.960 0.002 0.000 0.220 343 G HA3 0.033 3.994 3.960 0.002 0.000 0.220 343 G C 1.221 176.120 174.900 -0.001 0.000 1.114 343 G CA 1.311 46.391 45.100 -0.033 0.000 0.757 343 G HN 0.880 nan 8.290 nan 0.000 0.559 344 A N -0.073 122.750 122.820 0.006 0.000 2.303 344 A HA 0.708 5.029 4.320 0.002 0.000 0.217 344 A C 2.478 180.062 177.584 -0.001 0.000 1.205 344 A CA 1.228 53.275 52.037 0.017 0.000 0.875 344 A CB -0.134 18.893 19.000 0.045 0.000 0.910 344 A HN 0.503 nan 8.150 nan 0.000 0.501 345 A N 0.370 123.203 122.820 0.022 0.000 1.849 345 A HA 0.019 4.341 4.320 0.002 0.000 0.217 345 A C 2.369 179.932 177.584 -0.035 0.000 1.202 345 A CA 2.047 54.103 52.037 0.032 0.000 0.629 345 A CB -1.517 17.563 19.000 0.133 0.000 0.834 345 A HN 0.847 nan 8.150 nan 0.000 0.447 346 G N -1.063 107.719 108.800 -0.030 0.000 2.479 346 G HA2 0.018 3.979 3.960 0.002 0.000 0.220 346 G HA3 0.018 3.979 3.960 0.002 0.000 0.220 346 G C 1.577 176.428 174.900 -0.080 0.000 1.115 346 G CA 1.623 46.685 45.100 -0.063 0.000 0.757 346 G HN 0.845 nan 8.290 nan 0.000 0.560 347 A N 0.637 123.409 122.820 -0.081 0.000 1.835 347 A HA 0.122 4.443 4.320 0.002 0.000 0.213 347 A C 2.732 180.197 177.584 -0.198 0.000 1.210 347 A CA 2.346 54.324 52.037 -0.098 0.000 0.605 347 A CB -1.021 17.945 19.000 -0.057 0.000 0.860 347 A HN 0.860 nan 8.150 nan 0.000 0.447 348 V N -1.050 118.723 119.914 -0.235 0.000 2.332 348 V HA -0.275 3.847 4.120 0.002 0.000 0.248 348 V C 1.778 177.306 176.094 -0.943 0.000 1.055 348 V CA 2.556 64.586 62.300 -0.451 0.000 1.038 348 V CB -1.337 30.319 31.823 -0.279 0.000 0.651 348 V HN 0.638 nan 8.190 nan 0.000 0.450 349 E N 0.739 120.565 120.200 -0.622 0.000 2.338 349 E HA -0.081 4.271 4.350 0.002 0.000 0.197 349 E C 2.299 178.721 176.600 -0.297 0.000 1.007 349 E CA 1.121 57.221 56.400 -0.500 0.000 0.849 349 E CB -0.157 29.463 29.700 -0.133 0.000 0.774 349 E HN 0.665 nan 8.360 nan 0.000 0.506 350 S N 0.601 116.144 115.700 -0.261 0.000 2.414 350 S HA 0.007 4.479 4.470 0.002 0.000 0.227 350 S C 1.940 176.278 174.600 -0.436 0.000 1.022 350 S CA 0.337 58.437 58.200 -0.167 0.000 0.958 350 S CB 0.044 63.250 63.200 0.010 0.000 0.797 350 S HN 0.198 nan 8.310 nan 0.000 0.493 351 I N 0.707 121.012 120.570 -0.442 0.000 2.179 351 I HA -0.200 3.971 4.170 0.002 0.000 0.242 351 I C 1.897 177.802 176.117 -0.354 0.000 1.088 351 I CA 1.249 62.286 61.300 -0.439 0.000 1.357 351 I CB -0.489 37.297 38.000 -0.357 0.000 1.051 351 I HN 0.287 nan 8.210 nan 0.000 0.409 352 Y N 0.795 120.965 120.300 -0.217 0.000 2.274 352 Y HA -0.158 4.393 4.550 0.002 0.000 0.290 352 Y C 2.877 178.701 175.900 -0.127 0.000 1.145 352 Y CA 0.560 58.569 58.100 -0.150 0.000 1.203 352 Y CB -1.576 37.033 38.460 0.248 0.000 0.984 352 Y HN 0.117 nan 8.280 nan 0.000 0.533 353 S N -0.117 115.590 115.700 0.011 0.000 2.428 353 S HA -0.076 4.396 4.470 0.002 0.000 0.230 353 S C 2.047 176.538 174.600 -0.183 0.000 1.014 353 S CA 0.937 59.161 58.200 0.040 0.000 0.957 353 S CB -0.388 62.843 63.200 0.052 0.000 0.784 353 S HN 0.349 nan 8.310 nan 0.000 0.499 354 I N 1.294 121.580 120.570 -0.474 0.000 2.235 354 I HA -0.080 4.091 4.170 0.002 0.000 0.241 354 I C 1.951 177.852 176.117 -0.360 0.000 1.085 354 I CA 0.958 61.963 61.300 -0.492 0.000 1.378 354 I CB -0.230 37.401 38.000 -0.614 0.000 1.076 354 I HN 0.203 nan 8.210 nan 0.000 0.415 355 L N 0.375 121.257 121.223 -0.568 0.000 2.131 355 L HA -0.195 4.147 4.340 0.002 0.000 0.210 355 L C 2.685 179.295 176.870 -0.434 0.000 1.092 355 L CA 1.144 55.519 54.840 -0.776 0.000 0.759 355 L CB -0.838 40.175 42.059 -1.743 0.000 0.903 355 L HN 0.264 nan 8.230 nan 0.000 0.435 356 A N -0.045 122.649 122.820 -0.209 0.000 2.070 356 A HA -0.110 4.211 4.320 0.002 0.000 0.220 356 A C 2.255 179.906 177.584 0.112 0.000 1.159 356 A CA 1.199 53.350 52.037 0.192 0.000 0.656 356 A CB -0.366 18.796 19.000 0.270 0.000 0.800 356 A HN 0.371 nan 8.150 nan 0.000 0.453 357 L N -1.507 119.737 121.223 0.035 0.000 2.102 357 L HA -0.048 4.293 4.340 0.002 0.000 0.202 357 L C 2.738 179.622 176.870 0.024 0.000 1.076 357 L CA 1.271 56.134 54.840 0.038 0.000 0.761 357 L CB -0.432 41.635 42.059 0.015 0.000 0.921 357 L HN 0.442 nan 8.230 nan 0.000 0.444 358 R N 0.392 120.889 120.500 -0.005 0.000 2.080 358 R HA -0.190 4.152 4.340 0.002 0.000 0.236 358 R C 0.996 177.327 176.300 0.051 0.000 1.137 358 R CA 2.076 58.185 56.100 0.016 0.000 0.943 358 R CB -0.096 30.208 30.300 0.006 0.000 0.846 358 R HN 0.275 nan 8.270 nan 0.000 0.431 359 D N 0.905 121.360 120.400 0.092 0.000 2.328 359 D HA -0.008 4.633 4.640 0.002 0.000 0.221 359 D C -0.029 176.349 176.300 0.130 0.000 1.072 359 D CA 0.179 54.271 54.000 0.154 0.000 0.850 359 D CB 0.291 41.284 40.800 0.323 0.000 0.922 359 D HN 0.176 nan 8.370 nan 0.000 0.516 360 Q N -0.545 119.313 119.800 0.098 0.000 2.358 360 Q HA -0.215 4.127 4.340 0.002 0.000 0.318 360 Q C -0.323 175.712 176.000 0.058 0.000 1.243 360 Q CA 0.835 56.681 55.803 0.071 0.000 0.949 360 Q CB -1.826 26.941 28.738 0.049 0.000 1.224 360 Q HN 0.364 nan 8.270 nan 0.000 0.473 361 A N -0.661 122.214 122.820 0.091 0.000 2.422 361 A HA 0.704 5.025 4.320 0.002 0.000 0.302 361 A C -0.503 177.077 177.584 -0.006 0.000 1.041 361 A CA -0.554 51.497 52.037 0.023 0.000 0.708 361 A CB 2.005 21.013 19.000 0.013 0.000 1.257 361 A HN 0.044 nan 8.150 nan 0.000 0.414 362 V N 4.389 124.200 119.914 -0.172 0.000 2.459 362 V HA 0.560 4.681 4.120 0.002 0.000 0.295 362 V C -2.135 173.760 176.094 -0.332 0.000 1.029 362 V CA -1.562 60.508 62.300 -0.385 0.000 0.874 362 V CB 1.933 33.410 31.823 -0.576 0.000 0.985 362 V HN 0.860 nan 8.190 nan 0.000 0.438 363 P HA 0.399 nan 4.420 nan 0.000 0.279 363 P C -2.873 174.359 177.300 -0.114 0.000 1.252 363 P CA -2.102 60.839 63.100 -0.266 0.000 0.811 363 P CB 0.847 32.374 31.700 -0.287 0.000 1.035 364 P HA 0.171 nan 4.420 nan 0.000 0.282 364 P C -0.575 176.740 177.300 0.026 0.000 1.259 364 P CA -0.222 62.865 63.100 -0.020 0.000 0.826 364 P CB 0.447 32.125 31.700 -0.037 0.000 1.064 365 T N 2.863 117.454 114.554 0.060 0.000 2.891 365 T HA 0.360 4.712 4.350 0.002 0.000 0.315 365 T C 0.672 175.359 174.700 -0.023 0.000 1.054 365 T CA -0.343 61.805 62.100 0.080 0.000 0.958 365 T CB -0.912 68.085 68.868 0.215 0.000 1.008 365 T HN 0.286 nan 8.240 nan 0.000 0.521 366 I N 0.768 121.321 120.570 -0.029 0.000 2.823 366 I HA 0.355 4.526 4.170 0.002 0.000 0.290 366 I C 0.400 176.487 176.117 -0.050 0.000 1.091 366 I CA -0.421 60.854 61.300 -0.042 0.000 1.365 366 I CB 0.434 38.432 38.000 -0.004 0.000 1.427 366 I HN 0.436 nan 8.210 nan 0.000 0.583 367 N N 1.191 119.880 118.700 -0.019 0.000 2.948 367 N HA -0.165 4.577 4.740 0.002 0.000 0.239 367 N C -0.106 175.394 175.510 -0.016 0.000 0.954 367 N CA 0.698 53.755 53.050 0.011 0.000 0.941 367 N CB -1.173 37.311 38.487 -0.005 0.000 1.101 367 N HN 0.638 nan 8.380 nan 0.000 0.579 368 L N 2.433 123.558 121.223 -0.163 0.000 2.533 368 L HA 0.159 4.500 4.340 0.002 0.000 0.239 368 L C 0.874 177.741 176.870 -0.005 0.000 1.376 368 L CA 0.564 55.335 54.840 -0.115 0.000 1.240 368 L CB -0.323 41.653 42.059 -0.137 0.000 1.487 368 L HN 0.011 nan 8.230 nan 0.000 0.419 369 D N 0.651 121.130 120.400 0.131 0.000 2.144 369 D HA -0.036 4.605 4.640 0.002 0.000 0.200 369 D C 0.094 176.476 176.300 0.137 0.000 0.978 369 D CA 1.114 55.232 54.000 0.198 0.000 0.833 369 D CB 0.272 41.154 40.800 0.136 0.000 0.961 369 D HN 0.429 nan 8.370 nan 0.000 0.470 370 N N 1.143 119.903 118.700 0.101 0.000 2.675 370 N HA 0.177 4.919 4.740 0.002 0.000 0.254 370 N C -2.755 172.813 175.510 0.096 0.000 1.224 370 N CA -0.855 52.249 53.050 0.089 0.000 0.777 370 N CB 2.669 41.197 38.487 0.068 0.000 1.256 370 N HN -0.004 nan 8.380 nan 0.000 0.531 371 P HA 0.030 nan 4.420 nan 0.000 0.270 371 P C -0.104 177.275 177.300 0.132 0.000 1.227 371 P CA 0.031 63.221 63.100 0.150 0.000 0.788 371 P CB 0.997 32.811 31.700 0.191 0.000 0.926 372 D N 0.579 121.074 120.400 0.158 0.000 2.378 372 D HA 0.046 4.688 4.640 0.002 0.000 0.238 372 D C 0.618 176.984 176.300 0.111 0.000 1.180 372 D CA 0.429 54.508 54.000 0.131 0.000 0.895 372 D CB 0.333 41.229 40.800 0.160 0.000 1.192 372 D HN 0.263 nan 8.370 nan 0.000 0.438 373 E N -0.391 119.859 120.200 0.083 0.000 2.318 373 E HA 0.410 4.762 4.350 0.002 0.000 0.265 373 E C 0.980 177.616 176.600 0.061 0.000 1.069 373 E CA -0.304 56.134 56.400 0.064 0.000 0.893 373 E CB 1.071 30.801 29.700 0.049 0.000 1.076 373 E HN 0.637 nan 8.360 nan 0.000 0.414 374 G N 0.866 109.693 108.800 0.044 0.000 2.143 374 G HA2 -0.265 3.696 3.960 0.002 0.000 0.248 374 G HA3 -0.265 3.696 3.960 0.002 0.000 0.248 374 G C 0.064 174.983 174.900 0.032 0.000 0.991 374 G CA 0.249 45.370 45.100 0.034 0.000 0.689 374 G HN 0.491 nan 8.290 nan 0.000 0.522 375 C N 0.448 119.768 119.300 0.033 0.000 2.293 375 C HA 0.597 5.058 4.460 0.002 0.000 0.323 375 C C 1.270 176.216 174.990 -0.074 0.000 1.240 375 C CA -0.233 58.788 59.018 0.006 0.000 1.497 375 C CB 0.777 28.568 27.740 0.085 0.000 2.171 375 C HN 0.485 nan 8.230 nan 0.000 0.465 376 D N 3.000 123.336 120.400 -0.106 0.000 2.363 376 D HA 0.096 4.737 4.640 0.002 0.000 0.226 376 D C 0.500 176.648 176.300 -0.253 0.000 1.020 376 D CA 0.510 54.428 54.000 -0.138 0.000 0.892 376 D CB 0.051 40.794 40.800 -0.094 0.000 0.900 376 D HN 0.646 nan 8.370 nan 0.000 0.531 377 L N 0.344 121.305 121.223 -0.437 0.000 2.395 377 L HA 0.244 4.586 4.340 0.002 0.000 0.269 377 L C 0.346 176.693 176.870 -0.872 0.000 1.133 377 L CA -0.638 53.748 54.840 -0.756 0.000 0.812 377 L CB 0.791 42.163 42.059 -1.144 0.000 1.125 377 L HN -0.122 nan 8.230 nan 0.000 0.452 378 D N 1.735 121.746 120.400 -0.649 0.000 2.453 378 D HA 0.133 4.774 4.640 0.002 0.000 0.223 378 D C 0.230 176.274 176.300 -0.425 0.000 1.183 378 D CA -0.158 53.591 54.000 -0.420 0.000 0.933 378 D CB 0.381 41.045 40.800 -0.227 0.000 1.038 378 D HN 0.209 nan 8.370 nan 0.000 0.513 379 F N 2.231 122.058 119.950 -0.204 0.000 2.769 379 F HA 0.051 4.580 4.527 0.003 0.000 0.304 379 F C 1.360 177.118 175.800 -0.070 0.000 1.158 379 F CA -0.445 57.417 58.000 -0.230 0.000 1.398 379 F CB -0.438 38.375 39.000 -0.312 0.000 1.094 379 F HN 0.121 nan 8.300 nan 0.000 0.553 380 V N 0.797 120.754 119.914 0.072 0.000 5.578 380 V HA -0.229 3.892 4.120 0.002 0.000 0.275 380 V C -2.137 173.983 176.094 0.044 0.000 0.642 380 V CA -0.430 61.899 62.300 0.049 0.000 0.613 380 V CB -1.978 29.872 31.823 0.045 0.000 0.301 380 V HN 0.116 nan 8.190 nan 0.000 0.782 381 P HA 0.125 nan 4.420 nan 0.000 0.268 381 P C 1.122 178.383 177.300 -0.065 0.000 1.205 381 P CA 0.895 63.929 63.100 -0.110 0.000 0.771 381 P CB 0.573 32.197 31.700 -0.125 0.000 0.858 382 H N -1.236 117.854 119.070 0.034 0.000 5.008 382 H HA -0.176 4.382 4.556 0.002 0.000 0.066 382 H C 0.052 175.368 175.328 -0.020 0.000 0.566 382 H CA 1.903 57.954 56.048 0.005 0.000 1.018 382 H CB -1.259 28.504 29.762 0.003 0.000 0.468 382 H HN 0.553 nan 8.280 nan 0.000 0.767 383 E N 1.252 121.507 120.200 0.092 0.000 2.288 383 E HA 0.713 5.064 4.350 0.002 0.000 0.268 383 E C 0.121 176.700 176.600 -0.035 0.000 0.885 383 E CA -0.033 56.375 56.400 0.013 0.000 0.767 383 E CB 2.462 32.170 29.700 0.012 0.000 1.220 383 E HN 0.438 nan 8.360 nan 0.000 0.427 384 A N 2.092 124.862 122.820 -0.084 0.000 2.475 384 A HA 0.248 4.569 4.320 0.002 0.000 0.239 384 A C 0.354 177.880 177.584 -0.096 0.000 1.087 384 A CA 0.317 52.277 52.037 -0.129 0.000 0.779 384 A CB 0.190 19.076 19.000 -0.189 0.000 1.036 384 A HN 0.572 nan 8.150 nan 0.000 0.506 385 R N 0.156 120.590 120.500 -0.110 0.000 2.574 385 R HA 0.449 4.790 4.340 0.002 0.000 0.288 385 R C -0.669 175.586 176.300 -0.075 0.000 1.004 385 R CA -0.524 55.529 56.100 -0.078 0.000 0.895 385 R CB 1.222 31.483 30.300 -0.064 0.000 1.191 385 R HN 0.800 nan 8.270 nan 0.000 0.444 386 Q N 2.617 122.388 119.800 -0.049 0.000 2.373 386 Q HA 0.378 4.720 4.340 0.002 0.000 0.255 386 Q C -0.935 175.053 176.000 -0.020 0.000 0.980 386 Q CA -0.029 55.755 55.803 -0.031 0.000 0.882 386 Q CB 1.326 30.052 28.738 -0.021 0.000 1.249 386 Q HN 0.484 nan 8.270 nan 0.000 0.438 387 V N 0.173 120.084 119.914 -0.005 0.000 2.962 387 V HA 0.726 4.847 4.120 0.002 0.000 0.313 387 V C -0.039 176.068 176.094 0.021 0.000 1.099 387 V CA -0.167 62.139 62.300 0.010 0.000 0.971 387 V CB 1.635 33.468 31.823 0.018 0.000 1.028 387 V HN 0.809 nan 8.190 nan 0.000 0.430 388 S N 2.451 118.167 115.700 0.027 0.000 2.566 388 S HA 0.358 4.830 4.470 0.002 0.000 0.166 388 S C 1.335 175.956 174.600 0.036 0.000 0.811 388 S CA 0.693 58.909 58.200 0.028 0.000 0.940 388 S CB -0.300 62.914 63.200 0.023 0.000 0.768 388 S HN 1.625 nan 8.310 nan 0.000 0.534 389 G N 1.998 110.823 108.800 0.042 0.000 3.943 389 G HA2 0.360 4.321 3.960 0.002 0.000 0.275 389 G HA3 0.360 4.321 3.960 0.002 0.000 0.275 389 G C -0.167 174.772 174.900 0.065 0.000 1.234 389 G CA -0.368 44.760 45.100 0.047 0.000 1.522 389 G HN 0.485 nan 8.290 nan 0.000 0.636 390 M N 0.476 120.118 119.600 0.070 0.000 2.220 390 M HA 0.260 4.741 4.480 0.002 0.000 0.343 390 M C 0.791 177.134 176.300 0.072 0.000 1.470 390 M CA 0.065 55.425 55.300 0.100 0.000 1.161 390 M CB 0.741 33.408 32.600 0.112 0.000 1.737 390 M HN 0.211 nan 8.290 nan 0.000 0.464 391 E N 3.887 124.133 120.200 0.076 0.000 2.340 391 E HA 0.071 4.422 4.350 0.002 0.000 0.198 391 E C -0.925 175.512 176.600 -0.273 0.000 0.961 391 E CA 0.455 56.790 56.400 -0.109 0.000 0.905 391 E CB 0.651 30.257 29.700 -0.156 0.000 0.884 391 E HN 0.698 nan 8.360 nan 0.000 0.491 392 Y N -0.215 120.152 120.300 0.111 0.000 2.512 392 Y HA 0.290 4.841 4.550 0.002 0.000 0.348 392 Y C 0.088 176.092 175.900 0.173 0.000 0.990 392 Y CA -0.977 57.203 58.100 0.133 0.000 1.033 392 Y CB 2.079 40.604 38.460 0.108 0.000 1.259 392 Y HN -0.230 nan 8.280 nan 0.000 0.461 393 T N 0.290 115.063 114.554 0.366 0.000 2.906 393 T HA 0.762 5.113 4.350 0.002 0.000 0.295 393 T C -1.612 173.258 174.700 0.283 0.000 1.061 393 T CA -0.837 61.450 62.100 0.311 0.000 1.000 393 T CB 2.022 71.085 68.868 0.325 0.000 1.103 393 T HN 0.648 nan 8.240 nan 0.000 0.486 394 L N 1.139 122.464 121.223 0.170 0.000 2.386 394 L HA 0.801 5.142 4.340 0.002 0.000 0.271 394 L C -1.106 175.805 176.870 0.068 0.000 0.993 394 L CA -0.635 54.286 54.840 0.134 0.000 0.819 394 L CB 1.760 43.906 42.059 0.146 0.000 1.294 394 L HN 1.150 nan 8.230 nan 0.000 0.414 395 C N 4.755 124.108 119.300 0.088 0.000 2.340 395 C HA 0.633 5.094 4.460 0.002 0.000 0.323 395 C C -0.775 174.199 174.990 -0.026 0.000 1.260 395 C CA -0.639 58.404 59.018 0.040 0.000 1.464 395 C CB 0.637 28.455 27.740 0.131 0.000 2.156 395 C HN 0.847 nan 8.230 nan 0.000 0.476 396 N N 3.025 121.660 118.700 -0.109 0.000 2.456 396 N HA 0.628 5.369 4.740 0.002 0.000 0.296 396 N C -0.923 174.286 175.510 -0.502 0.000 1.102 396 N CA -0.059 52.804 53.050 -0.311 0.000 0.924 396 N CB 2.017 40.258 38.487 -0.409 0.000 1.186 396 N HN 0.739 nan 8.380 nan 0.000 0.492 397 S N 0.913 116.167 115.700 -0.744 0.000 2.546 397 S HA 0.682 5.154 4.470 0.002 0.000 0.272 397 S C -1.508 172.504 174.600 -0.980 0.000 1.140 397 S CA -0.533 57.195 58.200 -0.787 0.000 0.920 397 S CB 0.654 63.645 63.200 -0.347 0.000 1.083 397 S HN 0.297 nan 8.310 nan 0.000 0.476 398 F N 0.696 119.981 119.950 -1.110 0.000 2.603 398 F HA 0.894 5.422 4.527 0.002 0.000 0.317 398 F C 0.685 176.290 175.800 -0.325 0.000 1.066 398 F CA -0.953 56.704 58.000 -0.571 0.000 0.941 398 F CB 1.960 40.721 39.000 -0.399 0.000 1.291 398 F HN 0.687 nan 8.300 nan 0.000 0.472 399 G N 0.187 109.068 108.800 0.135 0.000 2.692 399 G HA2 0.554 4.515 3.960 0.002 0.000 0.291 399 G HA3 0.554 4.515 3.960 0.002 0.000 0.291 399 G C -1.716 173.362 174.900 0.296 0.000 1.423 399 G CA -0.744 44.441 45.100 0.143 0.000 0.843 399 G HN 0.203 nan 8.290 nan 0.000 0.486 400 F N 0.676 120.714 119.950 0.146 0.000 2.629 400 F HA 0.368 4.896 4.527 0.002 0.000 0.369 400 F C 1.678 177.535 175.800 0.095 0.000 1.125 400 F CA 1.198 59.276 58.000 0.130 0.000 1.330 400 F CB 0.782 39.855 39.000 0.123 0.000 1.071 400 F HN 1.247 nan 8.300 nan 0.000 0.595 401 G N 1.131 110.079 108.800 0.246 0.000 2.157 401 G HA2 0.037 3.998 3.960 0.002 0.000 0.239 401 G HA3 0.037 3.998 3.960 0.002 0.000 0.239 401 G C 0.933 175.913 174.900 0.133 0.000 0.982 401 G CA 0.298 45.481 45.100 0.138 0.000 0.650 401 G HN 1.851 nan 8.290 nan 0.000 0.527 402 G N -1.086 107.816 108.800 0.170 0.000 2.203 402 G HA2 -0.012 3.950 3.960 0.002 0.000 0.263 402 G HA3 -0.012 3.950 3.960 0.002 0.000 0.263 402 G C 0.521 175.495 174.900 0.124 0.000 1.012 402 G CA 1.484 46.669 45.100 0.141 0.000 0.749 402 G HN 1.988 nan 8.290 nan 0.000 0.512 403 T N 0.897 115.546 114.554 0.158 0.000 2.729 403 T HA 0.504 4.856 4.350 0.002 0.000 0.296 403 T C 0.244 175.060 174.700 0.193 0.000 0.928 403 T CA -0.351 61.859 62.100 0.185 0.000 1.045 403 T CB 0.055 69.061 68.868 0.230 0.000 0.902 403 T HN 0.357 nan 8.240 nan 0.000 0.500 404 N N 3.043 121.862 118.700 0.200 0.000 2.335 404 N HA 0.725 5.466 4.740 0.002 0.000 0.304 404 N C -0.352 175.278 175.510 0.201 0.000 1.135 404 N CA -0.661 52.537 53.050 0.246 0.000 0.817 404 N CB 2.222 40.833 38.487 0.207 0.000 1.294 404 N HN 0.786 nan 8.380 nan 0.000 0.497 405 G N -0.733 108.139 108.800 0.121 0.000 2.720 405 G HA2 0.566 4.527 3.960 0.002 0.000 0.295 405 G HA3 0.566 4.527 3.960 0.002 0.000 0.295 405 G C -1.507 173.428 174.900 0.057 0.000 1.437 405 G CA -0.288 44.861 45.100 0.082 0.000 0.886 405 G HN 0.375 nan 8.290 nan 0.000 0.509 406 S N -0.495 115.269 115.700 0.108 0.000 2.540 406 S HA 0.704 5.176 4.470 0.002 0.000 0.275 406 S C -0.867 173.806 174.600 0.122 0.000 1.123 406 S CA -0.516 57.730 58.200 0.077 0.000 0.907 406 S CB 1.546 64.789 63.200 0.072 0.000 1.081 406 S HN 0.556 nan 8.310 nan 0.000 0.476 407 L N 2.886 124.124 121.223 0.026 0.000 2.362 407 L HA 0.653 4.994 4.340 0.002 0.000 0.271 407 L C -1.101 175.642 176.870 -0.212 0.000 1.002 407 L CA -0.662 54.102 54.840 -0.127 0.000 0.818 407 L CB 1.659 43.550 42.059 -0.280 0.000 1.298 407 L HN 0.531 nan 8.230 nan 0.000 0.420 408 I N 2.149 122.545 120.570 -0.290 0.000 2.406 408 I HA 0.405 4.577 4.170 0.002 0.000 0.290 408 I C -1.031 174.902 176.117 -0.307 0.000 0.999 408 I CA -0.311 60.900 61.300 -0.149 0.000 1.124 408 I CB 1.641 39.639 38.000 -0.003 0.000 1.289 408 I HN 0.301 nan 8.210 nan 0.000 0.441 409 F N 5.365 125.384 119.950 0.115 0.000 2.508 409 F HA 0.532 5.060 4.527 0.002 0.000 0.325 409 F C 0.145 175.985 175.800 0.067 0.000 1.090 409 F CA -0.698 57.343 58.000 0.069 0.000 0.945 409 F CB 1.695 40.713 39.000 0.030 0.000 1.156 409 F HN 0.248 nan 8.300 nan 0.000 0.463 410 K N 2.408 122.896 120.400 0.146 0.000 2.316 410 K HA 0.354 4.676 4.320 0.002 0.000 0.251 410 K C -0.883 175.642 176.600 -0.126 0.000 0.934 410 K CA -0.969 55.223 56.287 -0.159 0.000 0.802 410 K CB 1.773 34.123 32.500 -0.249 0.000 1.171 410 K HN 0.644 nan 8.250 nan 0.000 0.426 411 K N 4.097 124.375 120.400 -0.204 0.000 2.412 411 K HA 0.077 4.398 4.320 0.002 0.000 0.284 411 K C -0.303 176.232 176.600 -0.108 0.000 1.046 411 K CA 0.094 56.314 56.287 -0.113 0.000 0.999 411 K CB -0.107 32.334 32.500 -0.097 0.000 0.941 411 K HN 0.608 nan 8.250 nan 0.000 0.474 412 I N 0.000 120.531 120.570 -0.066 0.000 2.984 412 I HA 0.000 4.171 4.170 0.002 0.000 0.288 412 I CA 0.000 61.262 61.300 -0.063 0.000 1.566 412 I CB 0.000 37.976 38.000 -0.039 0.000 1.214 412 I HN 0.000 nan 8.210 nan 0.000 0.494