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 2zev_1_B DATA FIRST_RESID 5 DATA SEQUENCE KMEAKIDELI NNDPVWSSQN ESLISKPYNH ILLKXXXNFR LNLIVQINRV DATA SEQUENCE MNLPKDQLAI VSQIVELLHN SSLLIDDIED NAPLRRGQTT SHLIFGVPST DATA SEQUENCE INTANYMYFR AMQLVSQLTT KEPLYHNLIT IFNEELINLH RGQGLDIYWR DATA SEQUENCE DFLPEIIPTQ EMYLNMVMNK TGGLFRLTLR LMEALSPSXX XXHSLVPFIN DATA SEQUENCE LLGIIYQIRD DYLNLKDFQM XXXXGFAEDI TEGKLSFPIV HALNFTKTKG DATA SEQUENCE QTEQHNEILR ILLLRTSDKD IKLKLIQILE FDTNSLAYTK NFINQLVNMI DATA SEQUENCE KNDNENKYLP 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 5 K HA 0.000 nan 4.320 nan 0.000 0.191 5 K C 0.000 176.600 176.600 0.000 0.000 0.988 5 K CA 0.000 56.287 56.287 -0.000 0.000 0.838 5 K CB 0.000 32.500 32.500 -0.000 0.000 1.064 6 M N 1.117 120.717 119.600 0.000 0.000 2.123 6 M HA -0.053 4.427 4.480 0.000 0.000 0.263 6 M C 0.859 177.160 176.300 0.001 0.000 1.069 6 M CA 2.025 57.325 55.300 0.001 0.000 1.133 6 M CB -0.090 32.511 32.600 0.000 0.000 1.356 6 M HN 0.245 nan 8.290 nan 0.000 0.415 7 E N 0.440 120.640 120.200 0.000 0.000 2.153 7 E HA -0.143 4.207 4.350 0.000 0.000 0.194 7 E C 1.967 178.567 176.600 0.000 0.000 0.988 7 E CA 1.255 57.655 56.400 0.000 0.000 0.811 7 E CB -0.224 29.476 29.700 -0.000 0.000 0.746 7 E HN 0.629 nan 8.360 nan 0.000 0.466 8 A N 1.830 124.651 122.820 0.000 0.000 1.877 8 A HA -0.223 4.097 4.320 0.000 0.000 0.216 8 A C 1.974 179.559 177.584 0.001 0.000 1.186 8 A CA 1.446 53.483 52.037 0.001 0.000 0.620 8 A CB -0.296 18.704 19.000 0.000 0.000 0.822 8 A HN 0.032 nan 8.150 nan 0.000 0.443 9 K N -0.463 119.938 120.400 0.001 0.000 2.074 9 K HA -0.141 4.179 4.320 0.000 0.000 0.209 9 K C 1.829 178.430 176.600 0.003 0.000 1.048 9 K CA 1.530 57.818 56.287 0.002 0.000 0.926 9 K CB -0.353 32.148 32.500 0.002 0.000 0.713 9 K HN 0.431 nan 8.250 nan 0.000 0.444 10 I N 1.263 121.835 120.570 0.002 0.000 2.252 10 I HA -0.232 3.938 4.170 0.000 0.000 0.245 10 I C 2.173 178.291 176.117 0.002 0.000 1.102 10 I CA 1.519 62.821 61.300 0.002 0.000 1.385 10 I CB -1.134 36.867 38.000 0.002 0.000 1.064 10 I HN 0.243 nan 8.210 nan 0.000 0.414 11 D N 1.016 121.417 120.400 0.001 0.000 2.116 11 D HA -0.296 4.345 4.640 0.000 0.000 0.193 11 D C 2.181 178.482 176.300 0.002 0.000 0.998 11 D CA 1.847 55.848 54.000 0.001 0.000 0.836 11 D CB 0.052 40.853 40.800 0.000 0.000 0.951 11 D HN 0.429 nan 8.370 nan 0.000 0.449 12 E N -0.798 119.403 120.200 0.002 0.000 2.051 12 E HA -0.205 4.145 4.350 0.000 0.000 0.192 12 E C 2.159 178.762 176.600 0.005 0.000 0.991 12 E CA 0.835 57.237 56.400 0.003 0.000 0.799 12 E CB -0.269 29.434 29.700 0.004 0.000 0.748 12 E HN 0.336 nan 8.360 nan 0.000 0.449 13 L N 1.495 122.722 121.223 0.006 0.000 1.994 13 L HA -0.142 4.198 4.340 0.000 0.000 0.208 13 L C 2.420 179.294 176.870 0.007 0.000 1.071 13 L CA 1.952 56.797 54.840 0.009 0.000 0.745 13 L CB -0.519 41.545 42.059 0.009 0.000 0.892 13 L HN 0.483 nan 8.230 nan 0.000 0.431 14 I N -3.469 117.104 120.570 0.004 0.000 3.001 14 I HA -0.080 4.090 4.170 0.000 0.000 0.268 14 I C 1.347 177.464 176.117 0.000 0.000 1.267 14 I CA 1.085 62.386 61.300 0.001 0.000 1.472 14 I CB -0.597 37.403 38.000 -0.000 0.000 1.089 14 I HN 0.258 nan 8.210 nan 0.000 0.468 15 N N 1.214 119.915 118.700 0.002 0.000 2.299 15 N HA 0.132 4.872 4.740 0.000 0.000 0.187 15 N C -0.030 175.482 175.510 0.002 0.000 1.099 15 N CA 0.157 53.207 53.050 0.001 0.000 0.867 15 N CB 0.083 38.571 38.487 0.000 0.000 0.974 15 N HN 0.457 nan 8.380 nan 0.000 0.477 16 N N 0.816 119.519 118.700 0.005 0.000 2.483 16 N HA 0.158 4.898 4.740 0.000 0.000 0.285 16 N C -0.607 174.909 175.510 0.010 0.000 1.210 16 N CA -0.349 52.707 53.050 0.009 0.000 0.931 16 N CB 1.240 39.735 38.487 0.013 0.000 1.220 16 N HN -0.076 nan 8.380 nan 0.000 0.542 17 D N 0.990 121.398 120.400 0.013 0.000 2.368 17 D HA 0.169 4.809 4.640 0.000 0.000 0.240 17 D C -1.860 174.455 176.300 0.026 0.000 1.169 17 D CA -0.523 53.485 54.000 0.013 0.000 0.906 17 D CB 0.098 40.908 40.800 0.016 0.000 1.187 17 D HN 0.271 nan 8.370 nan 0.000 0.435 18 P HA -0.015 nan 4.420 nan 0.000 0.265 18 P C -0.295 177.059 177.300 0.090 0.000 1.193 18 P CA -0.179 62.946 63.100 0.042 0.000 0.765 18 P CB 0.448 32.157 31.700 0.016 0.000 0.823 19 V N 5.017 124.994 119.914 0.104 0.000 2.572 19 V HA 0.095 4.216 4.120 0.000 0.000 0.291 19 V C 0.207 176.461 176.094 0.267 0.000 1.039 19 V CA 0.262 62.641 62.300 0.133 0.000 1.055 19 V CB 0.124 31.995 31.823 0.079 0.000 0.969 19 V HN 0.679 nan 8.190 nan 0.000 0.482 20 W N 5.628 126.922 121.300 -0.011 0.000 3.036 20 W HA 0.454 5.114 4.660 0.000 0.000 0.337 20 W C -0.115 176.400 176.519 -0.008 0.000 1.055 20 W CA -0.681 56.656 57.345 -0.014 0.000 1.248 20 W CB 2.160 31.613 29.460 -0.011 0.000 1.335 20 W HN 0.703 nan 8.180 nan 0.000 0.446 21 S N 1.799 117.222 115.700 -0.462 0.000 2.707 21 S HA 0.227 4.698 4.470 0.000 0.000 0.276 21 S C 1.088 175.400 174.600 -0.479 0.000 1.179 21 S CA 0.155 58.139 58.200 -0.361 0.000 0.992 21 S CB 1.754 64.784 63.200 -0.282 0.000 1.030 21 S HN 0.506 nan 8.310 nan 0.000 0.554 22 S N 0.501 116.060 115.700 -0.235 0.000 2.368 22 S HA -0.182 4.288 4.470 0.000 0.000 0.224 22 S C 1.771 176.252 174.600 -0.197 0.000 1.029 22 S CA 1.620 59.728 58.200 -0.154 0.000 0.988 22 S CB -0.844 62.312 63.200 -0.074 0.000 0.838 22 S HN 0.743 nan 8.310 nan 0.000 0.462 23 Q N 1.641 121.310 119.800 -0.218 0.000 2.124 23 Q HA 0.045 4.385 4.340 0.000 0.000 0.202 23 Q C 2.106 177.927 176.000 -0.298 0.000 0.977 23 Q CA 1.645 57.331 55.803 -0.196 0.000 0.850 23 Q CB -0.444 28.197 28.738 -0.161 0.000 0.901 23 Q HN 0.505 nan 8.270 nan 0.000 0.429 24 N N 0.479 118.851 118.700 -0.547 0.000 2.120 24 N HA -0.180 4.560 4.740 0.000 0.000 0.188 24 N C 1.624 176.755 175.510 -0.631 0.000 1.024 24 N CA 1.247 53.782 53.050 -0.858 0.000 0.852 24 N CB -0.235 37.129 38.487 -1.871 0.000 1.003 24 N HN 0.241 nan 8.380 nan 0.000 0.424 25 E N 0.756 120.665 120.200 -0.485 0.000 2.118 25 E HA -0.042 4.308 4.350 0.000 0.000 0.195 25 E C 1.755 178.389 176.600 0.057 0.000 0.992 25 E CA 1.059 57.496 56.400 0.063 0.000 0.804 25 E CB -0.213 29.576 29.700 0.148 0.000 0.741 25 E HN 0.146 nan 8.360 nan 0.000 0.458 26 S N -0.430 115.247 115.700 -0.038 0.000 2.371 26 S HA -0.011 4.459 4.470 0.000 0.000 0.224 26 S C 1.833 176.424 174.600 -0.014 0.000 1.029 26 S CA 0.783 58.977 58.200 -0.009 0.000 0.978 26 S CB -0.222 62.962 63.200 -0.026 0.000 0.833 26 S HN 0.255 nan 8.310 nan 0.000 0.466 27 L N 1.234 122.430 121.223 -0.046 0.000 1.989 27 L HA -0.146 4.194 4.340 0.000 0.000 0.211 27 L C 2.065 178.926 176.870 -0.015 0.000 1.071 27 L CA 1.000 55.822 54.840 -0.029 0.000 0.749 27 L CB -0.643 41.389 42.059 -0.044 0.000 0.890 27 L HN 0.313 nan 8.230 nan 0.000 0.431 28 I N -0.463 120.119 120.570 0.020 0.000 2.567 28 I HA -0.187 3.983 4.170 0.000 0.000 0.257 28 I C 2.400 178.522 176.117 0.008 0.000 1.184 28 I CA 1.245 62.553 61.300 0.013 0.000 1.451 28 I CB -1.172 36.836 38.000 0.013 0.000 1.089 28 I HN 0.175 nan 8.210 nan 0.000 0.441 29 S N 0.082 115.804 115.700 0.038 0.000 2.528 29 S HA 0.016 4.486 4.470 0.000 0.000 0.219 29 S C 1.763 176.352 174.600 -0.018 0.000 0.985 29 S CA 0.036 58.279 58.200 0.071 0.000 0.914 29 S CB 0.079 63.351 63.200 0.119 0.000 0.776 29 S HN 0.415 nan 8.310 nan 0.000 0.526 30 K N 1.629 121.931 120.400 -0.164 0.000 2.059 30 K HA -0.157 4.163 4.320 0.000 0.000 0.212 30 K C -0.958 175.197 176.600 -0.742 0.000 1.050 30 K CA 1.780 57.825 56.287 -0.403 0.000 0.927 30 K CB -1.278 30.920 32.500 -0.503 0.000 0.714 30 K HN 0.299 nan 8.250 nan 0.000 0.447 31 P HA -0.167 nan 4.420 nan 0.000 0.218 31 P C 0.989 178.230 177.300 -0.098 0.000 1.149 31 P CA 1.058 63.813 63.100 -0.576 0.000 0.817 31 P CB 0.003 31.541 31.700 -0.270 0.000 0.785 32 Y N 0.472 120.697 120.300 -0.126 0.000 2.243 32 Y HA -0.087 4.463 4.550 0.000 0.000 0.293 32 Y C 1.973 177.872 175.900 -0.002 0.000 1.124 32 Y CA 1.364 59.446 58.100 -0.030 0.000 1.159 32 Y CB -0.706 37.751 38.460 -0.005 0.000 1.008 32 Y HN -0.165 nan 8.280 nan 0.000 0.527 33 N N -0.474 118.279 118.700 0.089 0.000 2.149 33 N HA -0.243 4.497 4.740 0.000 0.000 0.188 33 N C 1.960 177.470 175.510 -0.001 0.000 1.019 33 N CA 1.591 54.665 53.050 0.040 0.000 0.857 33 N CB -0.833 37.702 38.487 0.080 0.000 0.997 33 N HN 0.542 nan 8.380 nan 0.000 0.426 34 H N 0.745 119.792 119.070 -0.037 0.000 2.352 34 H HA -0.020 4.536 4.556 0.000 0.000 0.299 34 H C 2.062 177.377 175.328 -0.021 0.000 1.097 34 H CA 1.020 57.100 56.048 0.053 0.000 1.311 34 H CB -0.202 29.721 29.762 0.268 0.000 1.377 34 H HN 0.193 nan 8.280 nan 0.000 0.504 35 I N 0.590 121.135 120.570 -0.041 0.000 2.676 35 I HA -0.195 3.976 4.170 0.000 0.000 0.259 35 I C 2.121 178.108 176.117 -0.217 0.000 1.194 35 I CA 0.326 61.545 61.300 -0.135 0.000 1.473 35 I CB -0.033 37.883 38.000 -0.139 0.000 1.096 35 I HN 0.219 nan 8.210 nan 0.000 0.443 36 L N 0.254 121.321 121.223 -0.261 0.000 2.131 36 L HA -0.175 4.165 4.340 0.000 0.000 0.210 36 L C 1.837 178.640 176.870 -0.112 0.000 1.092 36 L CA 0.887 55.612 54.840 -0.191 0.000 0.759 36 L CB -0.424 41.547 42.059 -0.148 0.000 0.903 36 L HN 0.263 nan 8.230 nan 0.000 0.435 37 L N 0.163 121.307 121.223 -0.133 0.000 2.885 37 L HA -0.103 4.237 4.340 0.000 0.000 0.258 37 L C 1.088 177.901 176.870 -0.096 0.000 1.146 37 L CA 0.512 55.285 54.840 -0.111 0.000 0.922 37 L CB -0.988 40.972 42.059 -0.165 0.000 1.138 37 L HN 0.214 nan 8.230 nan 0.000 0.431 43 F N 1.022 120.996 119.950 0.040 0.000 2.871 43 F HA 0.381 4.908 4.527 0.001 0.000 0.344 43 F C 2.008 177.826 175.800 0.029 0.000 1.078 43 F CA -0.180 57.850 58.000 0.051 0.000 1.149 43 F CB 0.702 39.751 39.000 0.081 0.000 1.087 43 F HN -0.147 nan 8.300 nan 0.000 0.557 44 R N -0.279 120.291 120.500 0.116 0.000 2.127 44 R HA 0.054 4.394 4.340 0.000 0.000 0.217 44 R C 1.807 178.104 176.300 -0.005 0.000 1.074 44 R CA 0.787 56.882 56.100 -0.007 0.000 0.991 44 R CB -0.294 29.941 30.300 -0.109 0.000 0.895 44 R HN 0.169 nan 8.270 nan 0.000 0.450 45 L N 1.156 122.376 121.223 -0.005 0.000 2.240 45 L HA 0.053 4.393 4.340 0.000 0.000 0.211 45 L C 1.666 178.515 176.870 -0.036 0.000 1.106 45 L CA 1.575 56.403 54.840 -0.022 0.000 0.793 45 L CB -0.426 41.615 42.059 -0.030 0.000 0.927 45 L HN 0.077 nan 8.230 nan 0.000 0.446 46 N N -0.892 117.770 118.700 -0.063 0.000 2.244 46 N HA -0.223 4.517 4.740 0.000 0.000 0.183 46 N C 1.754 177.267 175.510 0.005 0.000 1.016 46 N CA 1.378 54.384 53.050 -0.072 0.000 0.866 46 N CB -0.195 38.208 38.487 -0.141 0.000 0.980 46 N HN 0.364 nan 8.380 nan 0.000 0.430 47 L N 0.115 121.365 121.223 0.046 0.000 2.179 47 L HA 0.212 4.553 4.340 0.000 0.000 0.208 47 L C 1.736 178.638 176.870 0.054 0.000 1.096 47 L CA 1.090 55.976 54.840 0.077 0.000 0.779 47 L CB -0.277 41.854 42.059 0.120 0.000 0.922 47 L HN 0.270 nan 8.230 nan 0.000 0.443 48 I N -1.929 118.659 120.570 0.030 0.000 2.202 48 I HA -0.248 3.922 4.170 0.000 0.000 0.242 48 I C 2.325 178.451 176.117 0.014 0.000 1.091 48 I CA 1.032 62.345 61.300 0.022 0.000 1.368 48 I CB -0.342 37.663 38.000 0.009 0.000 1.058 48 I HN 0.013 nan 8.210 nan 0.000 0.410 49 V N 0.648 120.564 119.914 0.003 0.000 2.231 49 V HA -0.339 3.782 4.120 0.000 0.000 0.248 49 V C 2.591 178.686 176.094 0.003 0.000 1.054 49 V CA 1.836 64.134 62.300 -0.003 0.000 1.015 49 V CB -0.748 31.064 31.823 -0.017 0.000 0.638 49 V HN 0.461 nan 8.190 nan 0.000 0.444 50 Q N -0.544 119.262 119.800 0.009 0.000 2.077 50 Q HA -0.164 4.176 4.340 0.000 0.000 0.206 50 Q C 2.137 178.143 176.000 0.010 0.000 0.989 50 Q CA 1.953 57.764 55.803 0.012 0.000 0.853 50 Q CB -0.577 28.177 28.738 0.026 0.000 0.907 50 Q HN 0.647 nan 8.270 nan 0.000 0.418 51 I N 0.789 121.371 120.570 0.020 0.000 2.493 51 I HA -0.219 3.951 4.170 0.000 0.000 0.254 51 I C 1.781 177.903 176.117 0.007 0.000 1.160 51 I CA 0.674 61.982 61.300 0.014 0.000 1.445 51 I CB -0.289 37.731 38.000 0.034 0.000 1.086 51 I HN 0.159 nan 8.210 nan 0.000 0.433 52 N N 1.289 119.994 118.700 0.008 0.000 2.520 52 N HA -0.122 4.618 4.740 0.000 0.000 0.185 52 N C 1.775 177.287 175.510 0.002 0.000 1.068 52 N CA 0.820 53.873 53.050 0.006 0.000 0.911 52 N CB -0.018 38.473 38.487 0.006 0.000 0.961 52 N HN 0.206 nan 8.380 nan 0.000 0.446 53 R N -0.873 119.627 120.500 -0.001 0.000 2.152 53 R HA -0.046 4.294 4.340 0.000 0.000 0.232 53 R C 1.541 177.838 176.300 -0.004 0.000 1.117 53 R CA 1.070 57.168 56.100 -0.003 0.000 0.981 53 R CB -0.020 30.276 30.300 -0.007 0.000 0.870 53 R HN 0.146 nan 8.270 nan 0.000 0.451 54 V N 0.076 119.987 119.914 -0.005 0.000 2.436 54 V HA -0.121 3.999 4.120 0.000 0.000 0.240 54 V C 2.108 178.203 176.094 0.002 0.000 1.040 54 V CA 1.089 63.386 62.300 -0.004 0.000 1.052 54 V CB -0.172 31.644 31.823 -0.011 0.000 0.707 54 V HN 0.169 nan 8.190 nan 0.000 0.469 55 M N -0.337 119.265 119.600 0.003 0.000 2.175 55 M HA 0.053 4.533 4.480 0.000 0.000 0.264 55 M C 0.786 177.091 176.300 0.008 0.000 1.063 55 M CA 0.642 55.946 55.300 0.007 0.000 1.119 55 M CB -1.347 31.258 32.600 0.009 0.000 1.377 55 M HN 0.430 nan 8.290 nan 0.000 0.415 56 N N 1.758 120.462 118.700 0.006 0.000 2.727 56 N HA -0.150 4.590 4.740 0.000 0.000 0.251 56 N C -1.005 174.510 175.510 0.008 0.000 1.040 56 N CA 0.373 53.426 53.050 0.006 0.000 0.712 56 N CB -1.594 36.896 38.487 0.005 0.000 0.912 56 N HN 0.389 nan 8.380 nan 0.000 0.545 57 L N 0.998 122.227 121.223 0.009 0.000 2.371 57 L HA 0.378 4.718 4.340 0.000 0.000 0.272 57 L C -1.337 175.539 176.870 0.009 0.000 1.124 57 L CA -1.461 53.386 54.840 0.011 0.000 0.816 57 L CB 0.351 42.417 42.059 0.013 0.000 1.129 57 L HN -0.052 nan 8.230 nan 0.000 0.448 58 P HA 0.041 nan 4.420 nan 0.000 0.269 58 P C -0.109 177.196 177.300 0.008 0.000 1.209 58 P CA -0.239 62.866 63.100 0.008 0.000 0.776 58 P CB 0.774 32.479 31.700 0.008 0.000 0.876 59 K N 1.014 121.418 120.400 0.006 0.000 2.228 59 K HA -0.200 4.120 4.320 0.000 0.000 0.205 59 K C 1.455 178.060 176.600 0.008 0.000 1.045 59 K CA 1.481 57.772 56.287 0.006 0.000 0.931 59 K CB -0.216 32.286 32.500 0.005 0.000 0.727 59 K HN 0.475 nan 8.250 nan 0.000 0.458 60 D N 0.814 121.220 120.400 0.008 0.000 2.077 60 D HA -0.175 4.465 4.640 0.000 0.000 0.193 60 D C 1.991 178.298 176.300 0.011 0.000 0.989 60 D CA 1.188 55.193 54.000 0.009 0.000 0.831 60 D CB -0.148 40.657 40.800 0.008 0.000 0.979 60 D HN 0.185 nan 8.370 nan 0.000 0.449 61 Q N -0.163 119.645 119.800 0.012 0.000 2.112 61 Q HA -0.198 4.142 4.340 0.000 0.000 0.206 61 Q C 2.285 178.295 176.000 0.016 0.000 0.987 61 Q CA 1.117 56.930 55.803 0.015 0.000 0.858 61 Q CB -0.171 28.577 28.738 0.016 0.000 0.905 61 Q HN 0.131 nan 8.270 nan 0.000 0.420 62 L N 0.085 121.316 121.223 0.014 0.000 2.046 62 L HA -0.118 4.222 4.340 0.000 0.000 0.208 62 L C 2.141 179.019 176.870 0.014 0.000 1.077 62 L CA 2.120 56.968 54.840 0.013 0.000 0.747 62 L CB -0.813 41.252 42.059 0.010 0.000 0.896 62 L HN 0.236 nan 8.230 nan 0.000 0.432 63 A N -0.277 122.551 122.820 0.013 0.000 1.908 63 A HA -0.220 4.100 4.320 0.000 0.000 0.218 63 A C 2.275 179.871 177.584 0.019 0.000 1.181 63 A CA 2.242 54.288 52.037 0.015 0.000 0.627 63 A CB -0.913 18.096 19.000 0.014 0.000 0.818 63 A HN 0.507 nan 8.150 nan 0.000 0.445 64 I N -0.643 119.938 120.570 0.019 0.000 2.179 64 I HA -0.220 3.951 4.170 0.000 0.000 0.242 64 I C 2.379 178.511 176.117 0.025 0.000 1.088 64 I CA 1.130 62.442 61.300 0.020 0.000 1.357 64 I CB -0.388 37.622 38.000 0.017 0.000 1.051 64 I HN 0.157 nan 8.210 nan 0.000 0.409 65 V N 0.051 119.980 119.914 0.024 0.000 2.282 65 V HA -0.350 3.770 4.120 0.000 0.000 0.249 65 V C 2.587 178.698 176.094 0.028 0.000 1.057 65 V CA 2.308 64.624 62.300 0.028 0.000 1.032 65 V CB -0.608 31.229 31.823 0.023 0.000 0.645 65 V HN 0.387 nan 8.190 nan 0.000 0.447 66 S N -1.187 114.527 115.700 0.024 0.000 2.370 66 S HA -0.276 4.194 4.470 0.000 0.000 0.226 66 S C 2.008 176.632 174.600 0.040 0.000 1.033 66 S CA 1.762 59.977 58.200 0.025 0.000 1.011 66 S CB -0.247 62.965 63.200 0.020 0.000 0.852 66 S HN 0.683 nan 8.310 nan 0.000 0.457 67 Q N 0.204 120.028 119.800 0.041 0.000 2.084 67 Q HA -0.023 4.317 4.340 0.000 0.000 0.202 67 Q C 2.119 178.155 176.000 0.060 0.000 0.978 67 Q CA 1.281 57.114 55.803 0.052 0.000 0.844 67 Q CB -0.262 28.498 28.738 0.037 0.000 0.898 67 Q HN 0.527 nan 8.270 nan 0.000 0.426 68 I N -0.152 120.450 120.570 0.054 0.000 2.226 68 I HA -0.272 3.898 4.170 0.000 0.000 0.245 68 I C 2.116 178.285 176.117 0.087 0.000 1.100 68 I CA 0.911 62.256 61.300 0.075 0.000 1.374 68 I CB -0.203 37.848 38.000 0.084 0.000 1.057 68 I HN 0.059 nan 8.210 nan 0.000 0.413 69 V N 0.389 120.338 119.914 0.059 0.000 2.358 69 V HA -0.209 3.911 4.120 0.000 0.000 0.246 69 V C 2.483 178.629 176.094 0.086 0.000 1.047 69 V CA 1.587 63.908 62.300 0.035 0.000 1.035 69 V CB -0.607 31.207 31.823 -0.016 0.000 0.658 69 V HN 0.377 nan 8.190 nan 0.000 0.452 70 E N 0.270 120.534 120.200 0.106 0.000 2.051 70 E HA -0.180 4.170 4.350 0.000 0.000 0.192 70 E C 2.250 178.990 176.600 0.233 0.000 0.991 70 E CA 1.263 57.764 56.400 0.168 0.000 0.799 70 E CB -0.415 29.375 29.700 0.150 0.000 0.748 70 E HN 0.505 nan 8.360 nan 0.000 0.449 71 L N 0.415 121.759 121.223 0.202 0.000 2.012 71 L HA -0.198 4.142 4.340 0.000 0.000 0.210 71 L C 2.657 179.662 176.870 0.226 0.000 1.073 71 L CA 0.980 55.939 54.840 0.199 0.000 0.748 71 L CB -0.506 41.581 42.059 0.046 0.000 0.891 71 L HN 0.112 nan 8.230 nan 0.000 0.431 72 L N -1.289 120.049 121.223 0.192 0.000 2.056 72 L HA -0.239 4.101 4.340 0.000 0.000 0.207 72 L C 2.697 179.688 176.870 0.203 0.000 1.078 72 L CA 1.125 56.084 54.840 0.199 0.000 0.749 72 L CB -0.717 41.374 42.059 0.053 0.000 0.901 72 L HN 0.311 nan 8.230 nan 0.000 0.433 73 H N 0.605 119.710 119.070 0.058 0.000 2.270 73 H HA -0.130 4.426 4.556 0.000 0.000 0.299 73 H C 2.168 177.536 175.328 0.066 0.000 1.077 73 H CA 1.904 57.963 56.048 0.019 0.000 1.294 73 H CB -0.066 29.683 29.762 -0.022 0.000 1.371 73 H HN 0.164 nan 8.280 nan 0.000 0.491 74 N N 0.025 118.717 118.700 -0.014 0.000 2.104 74 N HA -0.133 4.607 4.740 0.000 0.000 0.190 74 N C 2.093 177.608 175.510 0.008 0.000 1.024 74 N CA 1.529 54.524 53.050 -0.092 0.000 0.853 74 N CB -0.406 38.054 38.487 -0.043 0.000 1.008 74 N HN 0.338 nan 8.380 nan 0.000 0.424 75 S N 0.640 116.428 115.700 0.147 0.000 2.368 75 S HA -0.116 4.354 4.470 0.000 0.000 0.225 75 S C 2.239 176.844 174.600 0.007 0.000 1.030 75 S CA 1.419 59.647 58.200 0.047 0.000 0.999 75 S CB -0.349 62.791 63.200 -0.101 0.000 0.844 75 S HN 0.588 nan 8.310 nan 0.000 0.459 76 S N 2.122 117.895 115.700 0.122 0.000 2.402 76 S HA 0.039 4.509 4.470 0.000 0.000 0.229 76 S C 1.807 176.409 174.600 0.004 0.000 1.021 76 S CA 0.724 58.990 58.200 0.111 0.000 0.974 76 S CB -0.695 62.563 63.200 0.097 0.000 0.800 76 S HN 0.413 nan 8.310 nan 0.000 0.484 77 L N 0.667 121.850 121.223 -0.068 0.000 2.056 77 L HA 0.015 4.355 4.340 0.000 0.000 0.207 77 L C 2.633 179.490 176.870 -0.021 0.000 1.078 77 L CA 1.004 55.798 54.840 -0.077 0.000 0.749 77 L CB -0.682 41.274 42.059 -0.171 0.000 0.901 77 L HN 0.302 nan 8.230 nan 0.000 0.433 78 L N -0.324 120.891 121.223 -0.013 0.000 2.042 78 L HA -0.259 4.081 4.340 0.000 0.000 0.210 78 L C 2.445 179.331 176.870 0.027 0.000 1.076 78 L CA 1.509 56.369 54.840 0.033 0.000 0.749 78 L CB -0.366 41.716 42.059 0.038 0.000 0.893 78 L HN 0.233 nan 8.230 nan 0.000 0.432 79 I N -0.522 120.046 120.570 -0.004 0.000 2.500 79 I HA -0.234 3.936 4.170 0.000 0.000 0.252 79 I C 2.128 178.234 176.117 -0.018 0.000 1.142 79 I CA 1.082 62.374 61.300 -0.012 0.000 1.451 79 I CB -0.167 37.837 38.000 0.007 0.000 1.093 79 I HN 0.248 nan 8.210 nan 0.000 0.430 80 D N 1.015 121.411 120.400 -0.005 0.000 2.117 80 D HA -0.238 4.402 4.640 0.000 0.000 0.197 80 D C 1.716 178.010 176.300 -0.010 0.000 0.987 80 D CA 1.458 55.454 54.000 -0.006 0.000 0.829 80 D CB 0.074 40.875 40.800 0.002 0.000 0.961 80 D HN 0.197 nan 8.370 nan 0.000 0.460 81 D N -0.294 120.111 120.400 0.008 0.000 2.178 81 D HA -0.085 4.555 4.640 0.000 0.000 0.202 81 D C 2.205 178.445 176.300 -0.100 0.000 0.974 81 D CA 0.480 54.506 54.000 0.042 0.000 0.841 81 D CB -0.045 40.851 40.800 0.160 0.000 0.953 81 D HN 0.404 nan 8.370 nan 0.000 0.478 82 I N 1.131 121.546 120.570 -0.259 0.000 2.163 82 I HA -0.215 3.955 4.170 0.000 0.000 0.240 82 I C 2.228 178.210 176.117 -0.224 0.000 1.081 82 I CA 1.075 62.075 61.300 -0.500 0.000 1.353 82 I CB -0.116 37.693 38.000 -0.318 0.000 1.054 82 I HN -0.092 nan 8.210 nan 0.000 0.407 83 E N 0.483 120.616 120.200 -0.112 0.000 2.153 83 E HA -0.225 4.125 4.350 0.000 0.000 0.194 83 E C 0.869 177.446 176.600 -0.038 0.000 0.988 83 E CA 1.163 57.529 56.400 -0.055 0.000 0.811 83 E CB 0.001 29.687 29.700 -0.023 0.000 0.746 83 E HN 0.467 nan 8.360 nan 0.000 0.466 84 D N -0.288 120.093 120.400 -0.032 0.000 2.369 84 D HA -0.004 4.636 4.640 0.000 0.000 0.211 84 D C -0.086 176.211 176.300 -0.005 0.000 1.077 84 D CA 0.006 54.002 54.000 -0.007 0.000 0.842 84 D CB 0.045 40.852 40.800 0.012 0.000 0.947 84 D HN -0.008 nan 8.370 nan 0.000 0.509 85 N N 0.634 119.319 118.700 -0.025 0.000 2.727 85 N HA -0.231 4.509 4.740 0.000 0.000 0.249 85 N C -0.711 174.840 175.510 0.067 0.000 1.048 85 N CA 0.667 53.727 53.050 0.016 0.000 0.714 85 N CB -1.017 37.472 38.487 0.004 0.000 0.959 85 N HN 0.218 nan 8.380 nan 0.000 0.544 86 A N 0.644 123.524 122.820 0.101 0.000 2.362 86 A HA 0.445 4.765 4.320 0.000 0.000 0.276 86 A C -0.713 176.909 177.584 0.063 0.000 1.153 86 A CA -0.676 51.400 52.037 0.065 0.000 0.813 86 A CB 0.660 19.691 19.000 0.053 0.000 1.081 86 A HN 0.331 nan 8.150 nan 0.000 0.507 87 P HA 0.092 nan 4.420 nan 0.000 0.226 87 P C -0.035 177.190 177.300 -0.125 0.000 1.161 87 P CA 0.731 63.778 63.100 -0.087 0.000 0.804 87 P CB 0.258 31.898 31.700 -0.100 0.000 0.829 88 L N -0.645 120.492 121.223 -0.144 0.000 2.354 88 L HA 0.656 4.996 4.340 0.000 0.000 0.264 88 L C -0.079 176.737 176.870 -0.089 0.000 1.008 88 L CA -1.108 53.642 54.840 -0.149 0.000 0.819 88 L CB 2.427 44.314 42.059 -0.286 0.000 1.339 88 L HN -0.277 nan 8.230 nan 0.000 0.420 89 R N 2.153 122.624 120.500 -0.049 0.000 2.518 89 R HA 0.421 4.761 4.340 0.000 0.000 0.287 89 R C -0.684 175.609 176.300 -0.012 0.000 1.135 89 R CA -0.567 55.523 56.100 -0.017 0.000 0.967 89 R CB 0.768 31.073 30.300 0.008 0.000 1.212 89 R HN 0.501 nan 8.270 nan 0.000 0.422 90 R N 3.475 123.973 120.500 -0.003 0.000 3.336 90 R HA -0.169 4.171 4.340 0.000 0.000 0.260 90 R C 0.544 176.846 176.300 0.004 0.000 1.032 90 R CA 1.315 57.420 56.100 0.007 0.000 0.693 90 R CB -1.815 28.486 30.300 0.002 0.000 1.134 90 R HN 1.391 nan 8.270 nan 0.000 0.433 91 G N -0.898 107.905 108.800 0.004 0.000 2.257 91 G HA2 -0.412 3.548 3.960 0.000 0.000 0.267 91 G HA3 -0.412 3.548 3.960 0.000 0.000 0.267 91 G C 0.214 175.110 174.900 -0.007 0.000 0.984 91 G CA 1.143 46.250 45.100 0.013 0.000 0.626 91 G HN 0.520 nan 8.290 nan 0.000 0.540 92 Q N 0.027 119.819 119.800 -0.014 0.000 2.195 92 Q HA 0.680 5.020 4.340 0.000 0.000 0.250 92 Q C 0.460 176.469 176.000 0.015 0.000 0.988 92 Q CA -0.055 55.749 55.803 0.003 0.000 0.911 92 Q CB 0.962 29.693 28.738 -0.012 0.000 1.258 92 Q HN 0.181 nan 8.270 nan 0.000 0.475 93 T N 1.633 116.215 114.554 0.047 0.000 2.928 93 T HA 0.152 4.502 4.350 0.000 0.000 0.305 93 T C -0.282 174.439 174.700 0.036 0.000 1.035 93 T CA 0.012 62.109 62.100 -0.005 0.000 1.145 93 T CB 0.107 68.948 68.868 -0.045 0.000 0.963 93 T HN 0.727 nan 8.240 nan 0.000 0.545 94 T N 1.361 115.863 114.554 -0.087 0.000 2.898 94 T HA 0.147 4.497 4.350 0.000 0.000 0.301 94 T C 1.608 176.216 174.700 -0.153 0.000 1.049 94 T CA -0.867 61.192 62.100 -0.068 0.000 1.095 94 T CB 0.719 69.525 68.868 -0.103 0.000 0.976 94 T HN 0.404 nan 8.240 nan 0.000 0.539 95 S N 1.187 116.897 115.700 0.016 0.000 2.383 95 S HA -0.185 4.286 4.470 0.000 0.000 0.229 95 S C 1.803 176.445 174.600 0.070 0.000 1.030 95 S CA 1.789 60.028 58.200 0.066 0.000 1.002 95 S CB -0.765 62.579 63.200 0.239 0.000 0.829 95 S HN 1.054 nan 8.310 nan 0.000 0.467 96 H N 0.596 119.707 119.070 0.067 0.000 2.491 96 H HA 0.204 4.760 4.556 0.000 0.000 0.290 96 H C 1.608 176.931 175.328 -0.008 0.000 1.050 96 H CA 0.783 56.863 56.048 0.052 0.000 1.309 96 H CB -0.466 29.316 29.762 0.034 0.000 1.392 96 H HN 0.282 nan 8.280 nan 0.000 0.554 97 L N -0.164 120.720 121.223 -0.566 0.000 2.395 97 L HA 0.061 4.401 4.340 0.000 0.000 0.218 97 L C 1.645 178.344 176.870 -0.285 0.000 1.130 97 L CA 0.537 55.160 54.840 -0.360 0.000 0.826 97 L CB -0.029 41.804 42.059 -0.377 0.000 0.941 97 L HN 0.379 nan 8.230 nan 0.000 0.451 98 I N -1.996 118.352 120.570 -0.370 0.000 2.947 98 I HA -0.084 4.086 4.170 0.000 0.000 0.263 98 I C 1.456 177.195 176.117 -0.630 0.000 1.130 98 I CA 0.779 61.723 61.300 -0.593 0.000 1.448 98 I CB 0.095 37.499 38.000 -0.992 0.000 1.222 98 I HN 0.008 nan 8.210 nan 0.000 0.453 99 F N 1.224 121.109 119.950 -0.110 0.000 2.776 99 F HA 0.434 4.961 4.527 0.001 0.000 0.300 99 F C 1.190 176.982 175.800 -0.014 0.000 1.116 99 F CA 0.205 58.175 58.000 -0.049 0.000 1.375 99 F CB -0.135 38.845 39.000 -0.034 0.000 1.109 99 F HN 0.081 nan 8.300 nan 0.000 0.585 100 G N 0.190 109.055 108.800 0.108 0.000 2.692 100 G HA2 -0.151 3.809 3.960 0.000 0.000 0.686 100 G HA3 -0.151 3.809 3.960 0.000 0.000 0.686 100 G C 0.349 175.342 174.900 0.156 0.000 1.243 100 G CA -0.625 44.538 45.100 0.105 0.000 0.782 100 G HN -0.089 nan 8.290 nan 0.000 0.625 101 V N 2.391 122.387 119.914 0.137 0.000 2.287 101 V HA -0.137 3.983 4.120 0.000 0.000 0.248 101 V C 0.689 176.827 176.094 0.074 0.000 1.053 101 V CA 2.955 65.316 62.300 0.101 0.000 1.027 101 V CB -1.253 30.594 31.823 0.039 0.000 0.646 101 V HN 0.674 nan 8.190 nan 0.000 0.447 102 P HA -0.130 nan 4.420 nan 0.000 0.213 102 P C 2.059 179.394 177.300 0.059 0.000 1.170 102 P CA 2.029 65.160 63.100 0.052 0.000 0.902 102 P CB -0.151 31.576 31.700 0.046 0.000 0.789 103 S N -1.061 114.685 115.700 0.077 0.000 2.368 103 S HA -0.139 4.331 4.470 0.000 0.000 0.225 103 S C 1.908 176.546 174.600 0.063 0.000 1.030 103 S CA 1.943 60.184 58.200 0.069 0.000 0.999 103 S CB -1.486 61.772 63.200 0.096 0.000 0.844 103 S HN 0.304 nan 8.310 nan 0.000 0.459 104 T N 2.564 117.175 114.554 0.096 0.000 2.746 104 T HA 0.032 4.383 4.350 0.000 0.000 0.267 104 T C 1.743 176.473 174.700 0.050 0.000 1.039 104 T CA 1.038 63.191 62.100 0.089 0.000 1.142 104 T CB -0.396 68.565 68.868 0.154 0.000 0.866 104 T HN 0.323 nan 8.240 nan 0.000 0.444 105 I N 1.693 122.287 120.570 0.040 0.000 2.179 105 I HA -0.198 3.972 4.170 0.000 0.000 0.242 105 I C 2.787 178.916 176.117 0.021 0.000 1.088 105 I CA 1.128 62.439 61.300 0.019 0.000 1.357 105 I CB -0.443 37.571 38.000 0.025 0.000 1.051 105 I HN 0.318 nan 8.210 nan 0.000 0.409 106 N N 0.569 119.290 118.700 0.036 0.000 2.084 106 N HA -0.168 4.572 4.740 0.000 0.000 0.190 106 N C 1.765 177.314 175.510 0.065 0.000 1.030 106 N CA 2.102 55.179 53.050 0.045 0.000 0.849 106 N CB 0.011 38.514 38.487 0.027 0.000 1.012 106 N HN 0.254 nan 8.380 nan 0.000 0.423 107 T N 1.039 115.624 114.554 0.053 0.000 2.684 107 T HA -0.069 4.281 4.350 0.000 0.000 0.267 107 T C 1.981 176.730 174.700 0.082 0.000 1.036 107 T CA 1.485 63.642 62.100 0.096 0.000 1.148 107 T CB -0.466 68.437 68.868 0.059 0.000 0.863 107 T HN 0.445 nan 8.240 nan 0.000 0.436 108 A N 2.099 124.912 122.820 -0.012 0.000 1.865 108 A HA -0.181 4.140 4.320 0.000 0.000 0.217 108 A C 2.160 179.504 177.584 -0.401 0.000 1.191 108 A CA 1.960 53.891 52.037 -0.176 0.000 0.623 108 A CB -0.969 17.906 19.000 -0.208 0.000 0.826 108 A HN 0.633 nan 8.150 nan 0.000 0.444 109 N N -1.923 116.622 118.700 -0.260 0.000 2.149 109 N HA -0.217 4.523 4.740 0.000 0.000 0.188 109 N C 1.757 177.336 175.510 0.116 0.000 1.019 109 N CA 1.510 54.476 53.050 -0.140 0.000 0.857 109 N CB -0.308 38.251 38.487 0.120 0.000 0.997 109 N HN 0.641 nan 8.380 nan 0.000 0.426 110 Y N 1.800 122.119 120.300 0.032 0.000 2.128 110 Y HA -0.160 4.390 4.550 0.000 0.000 0.284 110 Y C 2.197 178.127 175.900 0.050 0.000 1.154 110 Y CA 1.431 59.590 58.100 0.097 0.000 1.149 110 Y CB -0.198 38.265 38.460 0.004 0.000 0.976 110 Y HN 0.007 nan 8.280 nan 0.000 0.505 111 M N -0.900 118.580 119.600 -0.200 0.000 2.229 111 M HA -0.236 4.245 4.480 0.000 0.000 0.264 111 M C 2.078 178.294 176.300 -0.140 0.000 1.063 111 M CA 1.297 56.400 55.300 -0.328 0.000 1.114 111 M CB -1.670 30.723 32.600 -0.346 0.000 1.387 111 M HN 0.471 nan 8.290 nan 0.000 0.420 112 Y N -0.804 119.374 120.300 -0.203 0.000 2.165 112 Y HA -0.273 4.277 4.550 0.000 0.000 0.286 112 Y C 2.243 177.936 175.900 -0.343 0.000 1.155 112 Y CA 0.869 58.799 58.100 -0.284 0.000 1.164 112 Y CB -0.476 37.701 38.460 -0.470 0.000 0.978 112 Y HN 0.069 nan 8.280 nan 0.000 0.513 113 F N -0.641 119.380 119.950 0.117 0.000 2.407 113 F HA -0.127 4.400 4.527 0.000 0.000 0.299 113 F C 2.215 177.937 175.800 -0.131 0.000 1.097 113 F CA 0.526 58.527 58.000 0.002 0.000 1.422 113 F CB -0.131 38.857 39.000 -0.021 0.000 1.067 113 F HN -0.100 nan 8.300 nan 0.000 0.539 114 R N 0.359 120.771 120.500 -0.147 0.000 2.090 114 R HA 0.009 4.349 4.340 0.000 0.000 0.228 114 R C 2.403 178.639 176.300 -0.108 0.000 1.110 114 R CA 1.104 57.078 56.100 -0.210 0.000 0.973 114 R CB -1.158 28.912 30.300 -0.384 0.000 0.869 114 R HN 0.292 nan 8.270 nan 0.000 0.440 115 A N 1.455 124.244 122.820 -0.051 0.000 1.877 115 A HA -0.176 4.144 4.320 0.000 0.000 0.216 115 A C 2.261 179.800 177.584 -0.075 0.000 1.186 115 A CA 1.599 53.649 52.037 0.022 0.000 0.620 115 A CB -0.534 18.570 19.000 0.172 0.000 0.822 115 A HN 0.279 nan 8.150 nan 0.000 0.443 116 M N -0.966 118.546 119.600 -0.147 0.000 2.106 116 M HA -0.290 4.190 4.480 0.000 0.000 0.259 116 M C 2.362 178.481 176.300 -0.302 0.000 1.068 116 M CA 2.351 57.324 55.300 -0.544 0.000 1.100 116 M CB -0.227 32.212 32.600 -0.269 0.000 1.351 116 M HN 0.620 nan 8.290 nan 0.000 0.404 117 Q N 0.148 119.872 119.800 -0.127 0.000 2.084 117 Q HA -0.158 4.182 4.340 0.000 0.000 0.202 117 Q C 1.957 177.917 176.000 -0.067 0.000 0.978 117 Q CA 1.505 57.263 55.803 -0.075 0.000 0.844 117 Q CB -0.132 28.575 28.738 -0.052 0.000 0.898 117 Q HN 0.603 nan 8.270 nan 0.000 0.426 118 L N -0.404 120.776 121.223 -0.072 0.000 2.131 118 L HA -0.190 4.150 4.340 0.000 0.000 0.210 118 L C 2.273 179.122 176.870 -0.035 0.000 1.092 118 L CA 0.567 55.382 54.840 -0.041 0.000 0.759 118 L CB -0.413 41.631 42.059 -0.026 0.000 0.903 118 L HN 0.142 nan 8.230 nan 0.000 0.435 119 V N 0.038 119.895 119.914 -0.095 0.000 2.380 119 V HA -0.305 3.815 4.120 0.000 0.000 0.251 119 V C 2.519 178.657 176.094 0.074 0.000 1.063 119 V CA 2.155 64.405 62.300 -0.082 0.000 1.055 119 V CB -0.655 30.994 31.823 -0.291 0.000 0.657 119 V HN 0.673 nan 8.190 nan 0.000 0.455 120 S N -0.691 115.099 115.700 0.150 0.000 2.607 120 S HA -0.075 4.395 4.470 0.000 0.000 0.224 120 S C 1.367 175.999 174.600 0.054 0.000 0.969 120 S CA 0.509 58.862 58.200 0.255 0.000 0.927 120 S CB -0.240 63.004 63.200 0.073 0.000 0.772 120 S HN 0.757 nan 8.310 nan 0.000 0.533 121 Q N 0.068 119.890 119.800 0.036 0.000 2.188 121 Q HA 0.424 4.765 4.340 0.000 0.000 0.212 121 Q C 1.028 177.042 176.000 0.024 0.000 0.846 121 Q CA -0.126 55.683 55.803 0.010 0.000 0.989 121 Q CB 0.156 28.892 28.738 -0.003 0.000 1.114 121 Q HN 0.503 nan 8.270 nan 0.000 0.488 122 L N -0.950 120.303 121.223 0.051 0.000 2.298 122 L HA 0.176 4.516 4.340 0.000 0.000 0.209 122 L C 0.929 177.830 176.870 0.051 0.000 1.084 122 L CA 0.705 55.573 54.840 0.046 0.000 0.816 122 L CB 0.828 42.916 42.059 0.050 0.000 0.967 122 L HN 0.024 nan 8.230 nan 0.000 0.460 123 T N -2.258 112.340 114.554 0.074 0.000 2.802 123 T HA 0.280 4.631 4.350 0.000 0.000 0.311 123 T C 0.289 175.013 174.700 0.041 0.000 1.405 123 T CA 0.077 62.216 62.100 0.065 0.000 1.016 123 T CB 1.659 70.584 68.868 0.095 0.000 1.352 123 T HN 0.100 nan 8.240 nan 0.000 0.498 124 T N -0.760 113.802 114.554 0.013 0.000 3.043 124 T HA 0.371 4.721 4.350 0.000 0.000 0.272 124 T C 0.166 174.862 174.700 -0.007 0.000 0.990 124 T CA -0.306 61.772 62.100 -0.036 0.000 0.897 124 T CB -0.056 68.788 68.868 -0.040 0.000 1.111 124 T HN 0.479 nan 8.240 nan 0.000 0.529 125 K N 2.520 122.943 120.400 0.038 0.000 2.363 125 K HA 0.176 4.496 4.320 0.000 0.000 0.289 125 K C 0.636 177.292 176.600 0.093 0.000 1.063 125 K CA -0.331 55.987 56.287 0.052 0.000 0.967 125 K CB 0.884 33.415 32.500 0.052 0.000 0.987 125 K HN 0.088 nan 8.250 nan 0.000 0.473 126 E N 2.704 122.948 120.200 0.073 0.000 2.160 126 E HA -0.133 4.217 4.350 0.000 0.000 0.195 126 E C -0.955 175.742 176.600 0.161 0.000 0.991 126 E CA 1.318 57.787 56.400 0.114 0.000 0.810 126 E CB -0.869 28.870 29.700 0.066 0.000 0.742 126 E HN 0.545 nan 8.360 nan 0.000 0.466 127 P HA -0.086 nan 4.420 nan 0.000 0.214 127 P C 1.764 179.138 177.300 0.123 0.000 1.162 127 P CA 0.500 63.667 63.100 0.112 0.000 0.871 127 P CB -0.067 31.671 31.700 0.064 0.000 0.783 128 L N -1.400 119.885 121.223 0.103 0.000 2.079 128 L HA -0.186 4.154 4.340 0.000 0.000 0.210 128 L C 2.459 179.395 176.870 0.110 0.000 1.081 128 L CA 1.731 56.624 54.840 0.088 0.000 0.752 128 L CB -1.369 40.735 42.059 0.074 0.000 0.896 128 L HN -0.096 nan 8.230 nan 0.000 0.433 129 Y N -0.671 119.656 120.300 0.045 0.000 2.181 129 Y HA -0.310 4.240 4.550 0.000 0.000 0.288 129 Y C 2.683 178.623 175.900 0.067 0.000 1.146 129 Y CA 2.172 60.289 58.100 0.028 0.000 1.164 129 Y CB -0.610 37.849 38.460 -0.003 0.000 0.982 129 Y HN 0.477 nan 8.280 nan 0.000 0.515 130 H N -0.286 118.735 119.070 -0.080 0.000 2.352 130 H HA -0.177 4.379 4.556 0.000 0.000 0.299 130 H C 1.932 177.157 175.328 -0.172 0.000 1.097 130 H CA 1.435 57.394 56.048 -0.149 0.000 1.311 130 H CB 0.032 29.790 29.762 -0.008 0.000 1.377 130 H HN 0.368 nan 8.280 nan 0.000 0.504 131 N N 0.615 119.352 118.700 0.062 0.000 2.084 131 N HA -0.156 4.584 4.740 0.000 0.000 0.190 131 N C 2.122 177.614 175.510 -0.031 0.000 1.030 131 N CA 1.204 54.250 53.050 -0.006 0.000 0.849 131 N CB -0.279 38.205 38.487 -0.006 0.000 1.012 131 N HN 0.413 nan 8.380 nan 0.000 0.423 132 L N 0.786 121.963 121.223 -0.077 0.000 2.042 132 L HA -0.130 4.210 4.340 0.000 0.000 0.210 132 L C 2.199 179.007 176.870 -0.102 0.000 1.076 132 L CA 0.866 55.657 54.840 -0.082 0.000 0.749 132 L CB -0.465 41.531 42.059 -0.106 0.000 0.893 132 L HN 0.117 nan 8.230 nan 0.000 0.432 133 I N -0.114 120.306 120.570 -0.250 0.000 2.252 133 I HA -0.216 3.954 4.170 0.000 0.000 0.245 133 I C 2.581 178.708 176.117 0.016 0.000 1.102 133 I CA 1.582 62.761 61.300 -0.201 0.000 1.385 133 I CB -1.300 36.467 38.000 -0.388 0.000 1.064 133 I HN 0.263 nan 8.210 nan 0.000 0.414 134 T N 1.506 116.083 114.554 0.039 0.000 2.746 134 T HA -0.126 4.224 4.350 0.000 0.000 0.267 134 T C 2.078 176.806 174.700 0.046 0.000 1.039 134 T CA 1.283 63.419 62.100 0.060 0.000 1.142 134 T CB -0.232 68.656 68.868 0.033 0.000 0.866 134 T HN 0.188 nan 8.240 nan 0.000 0.444 135 I N 0.282 120.876 120.570 0.039 0.000 2.127 135 I HA -0.160 4.010 4.170 0.000 0.000 0.241 135 I C 2.069 178.217 176.117 0.050 0.000 1.075 135 I CA 1.446 62.766 61.300 0.033 0.000 1.334 135 I CB -0.376 37.641 38.000 0.030 0.000 1.040 135 I HN 0.176 nan 8.210 nan 0.000 0.405 136 F N 1.620 121.527 119.950 -0.071 0.000 2.065 136 F HA -0.339 4.188 4.527 0.000 0.000 0.298 136 F C 2.303 178.050 175.800 -0.088 0.000 1.112 136 F CA 2.478 60.428 58.000 -0.083 0.000 1.212 136 F CB -0.589 38.356 39.000 -0.092 0.000 0.975 136 F HN 0.089 nan 8.300 nan 0.000 0.476 137 N N -0.256 118.554 118.700 0.184 0.000 2.025 137 N HA -0.241 4.499 4.740 0.000 0.000 0.194 137 N C 1.854 177.324 175.510 -0.067 0.000 1.044 137 N CA 1.610 54.696 53.050 0.060 0.000 0.851 137 N CB -0.217 38.338 38.487 0.113 0.000 1.036 137 N HN 0.439 nan 8.380 nan 0.000 0.422 138 E N -0.017 120.162 120.200 -0.035 0.000 2.097 138 E HA -0.204 4.147 4.350 0.000 0.000 0.196 138 E C 1.631 178.179 176.600 -0.087 0.000 1.000 138 E CA 0.985 57.356 56.400 -0.049 0.000 0.804 138 E CB 0.027 29.710 29.700 -0.028 0.000 0.740 138 E HN 0.445 nan 8.360 nan 0.000 0.454 139 E N 0.276 120.401 120.200 -0.126 0.000 2.230 139 E HA -0.051 4.299 4.350 0.000 0.000 0.192 139 E C 2.194 178.673 176.600 -0.203 0.000 0.987 139 E CA 0.370 56.681 56.400 -0.148 0.000 0.841 139 E CB 0.028 29.642 29.700 -0.143 0.000 0.783 139 E HN 0.322 nan 8.360 nan 0.000 0.481 140 L N 0.293 121.334 121.223 -0.303 0.000 2.156 140 L HA -0.043 4.297 4.340 0.000 0.000 0.208 140 L C 2.437 179.273 176.870 -0.055 0.000 1.095 140 L CA 0.538 55.202 54.840 -0.293 0.000 0.770 140 L CB -0.221 41.510 42.059 -0.548 0.000 0.914 140 L HN 0.060 nan 8.230 nan 0.000 0.439 141 I N 0.105 120.615 120.570 -0.100 0.000 2.179 141 I HA -0.298 3.872 4.170 0.000 0.000 0.242 141 I C 2.175 178.280 176.117 -0.019 0.000 1.088 141 I CA 1.135 62.405 61.300 -0.050 0.000 1.357 141 I CB -0.205 37.757 38.000 -0.064 0.000 1.051 141 I HN 0.348 nan 8.210 nan 0.000 0.409 142 N N 0.609 119.277 118.700 -0.054 0.000 2.166 142 N HA -0.188 4.553 4.740 0.000 0.000 0.186 142 N C 1.766 177.231 175.510 -0.076 0.000 1.019 142 N CA 1.126 54.141 53.050 -0.059 0.000 0.856 142 N CB -0.539 37.911 38.487 -0.062 0.000 0.993 142 N HN 0.253 nan 8.380 nan 0.000 0.426 143 L N 0.583 121.743 121.223 -0.105 0.000 2.083 143 L HA -0.131 4.209 4.340 0.000 0.000 0.209 143 L C 1.659 178.380 176.870 -0.248 0.000 1.083 143 L CA 1.875 56.605 54.840 -0.184 0.000 0.752 143 L CB -0.568 41.334 42.059 -0.263 0.000 0.899 143 L HN 0.153 nan 8.230 nan 0.000 0.433 144 H N -0.880 118.113 119.070 -0.129 0.000 2.436 144 H HA 0.070 4.626 4.556 0.000 0.000 0.294 144 H C 2.322 177.591 175.328 -0.098 0.000 1.048 144 H CA 1.327 57.314 56.048 -0.101 0.000 1.353 144 H CB 0.008 29.712 29.762 -0.097 0.000 1.414 144 H HN 0.275 nan 8.280 nan 0.000 0.536 145 R N -0.266 120.228 120.500 -0.009 0.000 2.073 145 R HA -0.081 4.259 4.340 0.000 0.000 0.234 145 R C 2.529 178.750 176.300 -0.132 0.000 1.134 145 R CA 1.244 57.302 56.100 -0.070 0.000 0.952 145 R CB -0.508 29.749 30.300 -0.071 0.000 0.850 145 R HN 0.393 nan 8.270 nan 0.000 0.433 146 G N 0.343 109.062 108.800 -0.134 0.000 2.404 146 G HA2 -0.328 3.633 3.960 0.000 0.000 0.215 146 G HA3 -0.328 3.633 3.960 0.000 0.000 0.215 146 G C 1.360 176.152 174.900 -0.180 0.000 1.174 146 G CA 0.627 45.625 45.100 -0.169 0.000 0.780 146 G HN 0.245 nan 8.290 nan 0.000 0.537 147 Q N 0.602 120.312 119.800 -0.151 0.000 2.061 147 Q HA 0.032 4.372 4.340 0.000 0.000 0.204 147 Q C 2.574 178.509 176.000 -0.109 0.000 0.984 147 Q CA 2.148 57.875 55.803 -0.127 0.000 0.846 147 Q CB -0.970 27.672 28.738 -0.161 0.000 0.902 147 Q HN 0.317 nan 8.270 nan 0.000 0.421 148 G N 0.343 109.084 108.800 -0.100 0.000 2.440 148 G HA2 -0.248 3.712 3.960 0.000 0.000 0.218 148 G HA3 -0.248 3.712 3.960 0.000 0.000 0.218 148 G C 1.292 176.105 174.900 -0.145 0.000 1.154 148 G CA 0.957 46.013 45.100 -0.074 0.000 0.767 148 G HN 0.388 nan 8.290 nan 0.000 0.552 149 L N 0.773 121.808 121.223 -0.314 0.000 2.072 149 L HA 0.079 4.419 4.340 0.000 0.000 0.205 149 L C 2.246 178.683 176.870 -0.722 0.000 1.079 149 L CA 2.025 56.476 54.840 -0.648 0.000 0.752 149 L CB -0.587 40.973 42.059 -0.831 0.000 0.906 149 L HN 0.186 nan 8.230 nan 0.000 0.436 150 D N -0.578 119.572 120.400 -0.417 0.000 2.123 150 D HA -0.211 4.429 4.640 0.000 0.000 0.196 150 D C 2.209 178.522 176.300 0.022 0.000 0.992 150 D CA 1.589 55.510 54.000 -0.132 0.000 0.833 150 D CB -0.043 40.729 40.800 -0.046 0.000 0.954 150 D HN 0.430 nan 8.370 nan 0.000 0.455 151 I N -0.654 119.916 120.570 -0.001 0.000 2.353 151 I HA -0.211 3.959 4.170 0.000 0.000 0.248 151 I C 2.038 178.239 176.117 0.140 0.000 1.119 151 I CA 0.601 61.942 61.300 0.068 0.000 1.417 151 I CB -0.296 37.735 38.000 0.052 0.000 1.078 151 I HN 0.078 nan 8.210 nan 0.000 0.421 152 Y N 1.079 121.381 120.300 0.003 0.000 2.070 152 Y HA -0.312 4.239 4.550 0.001 0.000 0.280 152 Y C 2.324 178.410 175.900 0.310 0.000 1.148 152 Y CA 1.817 59.990 58.100 0.122 0.000 1.125 152 Y CB -0.295 38.084 38.460 -0.134 0.000 0.975 152 Y HN 0.095 nan 8.280 nan 0.000 0.492 153 W N 0.922 122.432 121.300 0.351 0.000 2.321 153 W HA -0.233 4.427 4.660 -0.000 0.000 0.306 153 W C 2.763 179.356 176.519 0.122 0.000 1.217 153 W CA 1.864 59.354 57.345 0.241 0.000 1.257 153 W CB -1.221 28.351 29.460 0.186 0.000 1.145 153 W HN 0.189 nan 8.180 nan 0.000 0.509 154 R N 0.460 121.157 120.500 0.328 0.000 2.075 154 R HA -0.134 4.206 4.340 0.000 0.000 0.232 154 R C 1.373 177.717 176.300 0.074 0.000 1.126 154 R CA 1.934 58.138 56.100 0.174 0.000 0.963 154 R CB -0.448 29.931 30.300 0.133 0.000 0.858 154 R HN -0.056 nan 8.270 nan 0.000 0.435 155 D N -0.692 119.731 120.400 0.038 0.000 2.347 155 D HA -0.050 4.590 4.640 0.000 0.000 0.213 155 D C 0.766 176.851 176.300 -0.358 0.000 0.985 155 D CA 0.743 54.668 54.000 -0.125 0.000 0.879 155 D CB 0.129 40.853 40.800 -0.126 0.000 0.919 155 D HN 0.248 nan 8.370 nan 0.000 0.526 156 F N 0.091 119.896 119.950 -0.241 0.000 2.695 156 F HA 0.189 4.717 4.527 0.001 0.000 0.303 156 F C 0.748 176.503 175.800 -0.076 0.000 1.091 156 F CA -0.670 57.184 58.000 -0.244 0.000 1.300 156 F CB 0.361 39.050 39.000 -0.518 0.000 1.071 156 F HN -0.163 nan 8.300 nan 0.000 0.578 157 L N 3.776 125.040 121.223 0.068 0.000 2.525 157 L HA 0.069 4.409 4.340 0.000 0.000 0.278 157 L C -1.582 175.295 176.870 0.011 0.000 1.218 157 L CA -0.819 54.057 54.840 0.061 0.000 0.878 157 L CB 0.209 42.293 42.059 0.042 0.000 1.127 157 L HN -0.138 nan 8.230 nan 0.000 0.492 158 P HA 0.053 nan 4.420 nan 0.000 0.236 158 P C 0.402 177.752 177.300 0.083 0.000 1.749 158 P CA -0.095 63.030 63.100 0.043 0.000 0.994 158 P CB 0.272 31.984 31.700 0.019 0.000 1.599 159 E N 0.817 121.098 120.200 0.136 0.000 2.077 159 E HA -0.085 4.265 4.350 0.000 0.000 0.193 159 E C 0.093 176.789 176.600 0.160 0.000 0.989 159 E CA 0.932 57.438 56.400 0.175 0.000 0.800 159 E CB 0.045 29.917 29.700 0.287 0.000 0.746 159 E HN 0.319 nan 8.360 nan 0.000 0.452 160 I N 1.426 122.104 120.570 0.180 0.000 2.499 160 I HA 0.316 4.486 4.170 0.000 0.000 0.288 160 I C -0.700 175.387 176.117 -0.049 0.000 1.048 160 I CA -0.636 60.727 61.300 0.106 0.000 1.062 160 I CB 2.109 40.248 38.000 0.231 0.000 1.238 160 I HN -0.019 nan 8.210 nan 0.000 0.426 161 I N 8.021 128.521 120.570 -0.116 0.000 2.354 161 I HA 0.328 4.498 4.170 0.000 0.000 0.286 161 I C -2.006 173.908 176.117 -0.339 0.000 1.007 161 I CA -1.746 59.435 61.300 -0.199 0.000 1.167 161 I CB 1.576 39.527 38.000 -0.081 0.000 1.320 161 I HN 0.297 nan 8.210 nan 0.000 0.458 162 P HA 0.162 nan 4.420 nan 0.000 0.274 162 P C -0.218 176.862 177.300 -0.368 0.000 1.246 162 P CA -0.168 62.526 63.100 -0.676 0.000 0.795 162 P CB 0.845 31.672 31.700 -1.454 0.000 1.006 163 T N -2.556 111.852 114.554 -0.243 0.000 2.849 163 T HA 0.133 4.483 4.350 0.000 0.000 0.276 163 T C 1.322 175.950 174.700 -0.121 0.000 0.971 163 T CA -0.411 61.593 62.100 -0.160 0.000 0.949 163 T CB 0.716 69.531 68.868 -0.088 0.000 1.093 163 T HN 0.482 nan 8.240 nan 0.000 0.545 164 Q N -0.210 119.517 119.800 -0.121 0.000 2.124 164 Q HA -0.180 4.160 4.340 0.000 0.000 0.202 164 Q C 2.177 178.239 176.000 0.105 0.000 0.977 164 Q CA 1.818 57.562 55.803 -0.098 0.000 0.850 164 Q CB -0.124 28.534 28.738 -0.133 0.000 0.901 164 Q HN 0.895 nan 8.270 nan 0.000 0.429 165 E N -0.104 120.151 120.200 0.091 0.000 2.047 165 E HA -0.212 4.138 4.350 0.000 0.000 0.191 165 E C 2.021 178.722 176.600 0.168 0.000 0.987 165 E CA 1.229 57.712 56.400 0.137 0.000 0.799 165 E CB -0.090 29.669 29.700 0.097 0.000 0.752 165 E HN 0.415 nan 8.360 nan 0.000 0.449 166 M N -0.181 119.500 119.600 0.135 0.000 2.108 166 M HA -0.193 4.287 4.480 0.000 0.000 0.261 166 M C 2.273 178.797 176.300 0.373 0.000 1.066 166 M CA 1.746 57.177 55.300 0.219 0.000 1.107 166 M CB -0.495 32.171 32.600 0.111 0.000 1.356 166 M HN 0.271 nan 8.290 nan 0.000 0.406 167 Y N 1.142 121.524 120.300 0.138 0.000 2.128 167 Y HA -0.252 4.298 4.550 0.000 0.000 0.284 167 Y C 1.872 177.935 175.900 0.271 0.000 1.154 167 Y CA 1.752 59.997 58.100 0.242 0.000 1.149 167 Y CB -0.218 38.288 38.460 0.076 0.000 0.976 167 Y HN 0.092 nan 8.280 nan 0.000 0.505 168 L N 0.257 121.727 121.223 0.412 0.000 2.141 168 L HA -0.203 4.137 4.340 0.000 0.000 0.209 168 L C 1.986 178.935 176.870 0.133 0.000 1.094 168 L CA 0.964 55.984 54.840 0.299 0.000 0.763 168 L CB -0.554 41.717 42.059 0.352 0.000 0.908 168 L HN 0.296 nan 8.230 nan 0.000 0.437 169 N N -0.299 118.484 118.700 0.140 0.000 2.270 169 N HA -0.156 4.584 4.740 0.000 0.000 0.181 169 N C 1.835 177.361 175.510 0.027 0.000 1.016 169 N CA 0.978 54.078 53.050 0.084 0.000 0.870 169 N CB -0.169 38.376 38.487 0.097 0.000 0.979 169 N HN 0.257 nan 8.380 nan 0.000 0.431 170 M N 0.984 120.604 119.600 0.033 0.000 2.117 170 M HA -0.077 4.403 4.480 0.000 0.000 0.262 170 M C 1.527 177.748 176.300 -0.132 0.000 1.065 170 M CA 1.195 56.442 55.300 -0.089 0.000 1.114 170 M CB -0.335 32.203 32.600 -0.102 0.000 1.361 170 M HN -0.134 nan 8.290 nan 0.000 0.408 171 V N 0.869 120.678 119.914 -0.175 0.000 2.343 171 V HA -0.304 3.816 4.120 0.000 0.000 0.247 171 V C 2.723 178.798 176.094 -0.033 0.000 1.051 171 V CA 1.436 63.657 62.300 -0.131 0.000 1.036 171 V CB -0.788 30.956 31.823 -0.131 0.000 0.654 171 V HN 0.462 nan 8.190 nan 0.000 0.451 172 M N -0.038 119.554 119.600 -0.013 0.000 2.144 172 M HA -0.177 4.303 4.480 0.000 0.000 0.260 172 M C 2.080 178.372 176.300 -0.014 0.000 1.067 172 M CA 1.726 57.026 55.300 -0.001 0.000 1.095 172 M CB -1.285 31.319 32.600 0.007 0.000 1.365 172 M HN 0.479 nan 8.290 nan 0.000 0.406 173 N N -0.002 118.676 118.700 -0.037 0.000 2.124 173 N HA -0.128 4.613 4.740 0.000 0.000 0.189 173 N C 1.714 177.185 175.510 -0.065 0.000 1.050 173 N CA 1.085 54.102 53.050 -0.055 0.000 0.848 173 N CB -0.380 38.062 38.487 -0.075 0.000 1.027 173 N HN 0.348 nan 8.380 nan 0.000 0.435 174 K N 0.496 120.849 120.400 -0.079 0.000 2.001 174 K HA -0.102 4.219 4.320 0.000 0.000 0.214 174 K C 1.585 178.164 176.600 -0.035 0.000 1.050 174 K CA 1.888 58.128 56.287 -0.079 0.000 0.934 174 K CB -0.065 32.386 32.500 -0.082 0.000 0.718 174 K HN 0.122 nan 8.250 nan 0.000 0.443 175 T N -0.900 113.667 114.554 0.021 0.000 3.044 175 T HA 0.065 4.415 4.350 0.000 0.000 0.255 175 T C 1.642 176.449 174.700 0.180 0.000 1.073 175 T CA 0.639 62.804 62.100 0.109 0.000 1.125 175 T CB 0.274 69.257 68.868 0.191 0.000 0.908 175 T HN 0.473 nan 8.240 nan 0.000 0.480 176 G N 1.295 110.162 108.800 0.112 0.000 2.421 176 G HA2 0.064 4.024 3.960 0.000 0.000 0.217 176 G HA3 0.064 4.024 3.960 0.000 0.000 0.217 176 G C 1.652 176.594 174.900 0.070 0.000 1.143 176 G CA 0.774 45.949 45.100 0.124 0.000 0.784 176 G HN 0.517 nan 8.290 nan 0.000 0.541 177 G N 1.285 110.079 108.800 -0.009 0.000 2.719 177 G HA2 -0.322 3.639 3.960 0.000 0.000 0.219 177 G HA3 -0.322 3.639 3.960 0.000 0.000 0.219 177 G C 1.724 176.566 174.900 -0.097 0.000 1.234 177 G CA 0.964 46.023 45.100 -0.069 0.000 0.788 177 G HN 0.378 nan 8.290 nan 0.000 0.619 178 L N -0.868 120.263 121.223 -0.154 0.000 2.079 178 L HA -0.054 4.286 4.340 0.000 0.000 0.210 178 L C 2.876 179.597 176.870 -0.248 0.000 1.081 178 L CA 1.161 55.862 54.840 -0.232 0.000 0.752 178 L CB -0.274 41.597 42.059 -0.313 0.000 0.896 178 L HN 0.218 nan 8.230 nan 0.000 0.433 179 F N 0.028 119.908 119.950 -0.117 0.000 2.075 179 F HA -0.215 4.312 4.527 0.000 0.000 0.297 179 F C 2.758 178.510 175.800 -0.079 0.000 1.113 179 F CA 1.462 59.392 58.000 -0.118 0.000 1.218 179 F CB -0.517 38.398 39.000 -0.142 0.000 0.984 179 F HN -0.053 nan 8.300 nan 0.000 0.472 180 R N -0.265 120.304 120.500 0.114 0.000 2.081 180 R HA -0.165 4.176 4.340 0.000 0.000 0.235 180 R C 2.136 178.443 176.300 0.012 0.000 1.131 180 R CA 1.349 57.478 56.100 0.049 0.000 0.960 180 R CB -0.944 29.369 30.300 0.022 0.000 0.856 180 R HN 0.240 nan 8.270 nan 0.000 0.436 181 L N 0.996 122.203 121.223 -0.026 0.000 2.012 181 L HA -0.175 4.165 4.340 0.000 0.000 0.210 181 L C 1.883 178.746 176.870 -0.012 0.000 1.073 181 L CA 2.025 56.841 54.840 -0.040 0.000 0.748 181 L CB -0.936 41.065 42.059 -0.098 0.000 0.891 181 L HN 0.052 nan 8.230 nan 0.000 0.431 182 T N -0.051 114.490 114.554 -0.021 0.000 2.643 182 T HA -0.210 4.140 4.350 0.000 0.000 0.264 182 T C 1.841 176.554 174.700 0.022 0.000 1.045 182 T CA 1.966 64.062 62.100 -0.005 0.000 1.155 182 T CB -0.501 68.352 68.868 -0.025 0.000 0.863 182 T HN 0.359 nan 8.240 nan 0.000 0.420 183 L N 0.876 122.123 121.223 0.040 0.000 2.046 183 L HA 0.008 4.348 4.340 0.000 0.000 0.208 183 L C 2.526 179.414 176.870 0.030 0.000 1.077 183 L CA 1.680 56.547 54.840 0.045 0.000 0.747 183 L CB -0.325 41.774 42.059 0.066 0.000 0.896 183 L HN 0.071 nan 8.230 nan 0.000 0.432 184 R N -0.957 119.557 120.500 0.024 0.000 2.120 184 R HA -0.100 4.240 4.340 0.000 0.000 0.234 184 R C 2.230 178.542 176.300 0.019 0.000 1.123 184 R CA 1.358 57.468 56.100 0.018 0.000 0.975 184 R CB -0.365 29.942 30.300 0.012 0.000 0.866 184 R HN 0.398 nan 8.270 nan 0.000 0.446 185 L N -0.014 121.223 121.223 0.023 0.000 2.056 185 L HA -0.150 4.191 4.340 0.000 0.000 0.207 185 L C 2.422 179.306 176.870 0.023 0.000 1.078 185 L CA 1.334 56.189 54.840 0.026 0.000 0.749 185 L CB -0.250 41.830 42.059 0.035 0.000 0.901 185 L HN 0.256 nan 8.230 nan 0.000 0.433 186 M N -0.858 118.755 119.600 0.023 0.000 2.175 186 M HA -0.184 4.296 4.480 0.000 0.000 0.264 186 M C 2.024 178.335 176.300 0.018 0.000 1.063 186 M CA 1.613 56.925 55.300 0.021 0.000 1.119 186 M CB -0.397 32.216 32.600 0.022 0.000 1.377 186 M HN 0.206 nan 8.290 nan 0.000 0.415 187 E N 0.598 120.808 120.200 0.017 0.000 2.150 187 E HA -0.120 4.230 4.350 0.000 0.000 0.193 187 E C 2.101 178.710 176.600 0.015 0.000 0.985 187 E CA 1.169 57.578 56.400 0.014 0.000 0.814 187 E CB -0.116 29.592 29.700 0.012 0.000 0.752 187 E HN 0.510 nan 8.360 nan 0.000 0.466 188 A N 1.035 123.864 122.820 0.016 0.000 1.968 188 A HA -0.060 4.260 4.320 0.000 0.000 0.217 188 A C 2.116 179.711 177.584 0.019 0.000 1.169 188 A CA 0.699 52.745 52.037 0.016 0.000 0.638 188 A CB -0.317 18.691 19.000 0.014 0.000 0.812 188 A HN 0.109 nan 8.150 nan 0.000 0.446 189 L N -0.451 120.784 121.223 0.020 0.000 2.341 189 L HA 0.029 4.370 4.340 0.000 0.000 0.214 189 L C 1.402 178.283 176.870 0.018 0.000 1.115 189 L CA 0.144 54.996 54.840 0.022 0.000 0.820 189 L CB -0.354 41.718 42.059 0.023 0.000 0.944 189 L HN 0.308 nan 8.230 nan 0.000 0.452 190 S N 1.423 117.133 115.700 0.016 0.000 2.673 190 S HA 0.004 4.474 4.470 0.000 0.000 0.308 190 S C -1.033 173.575 174.600 0.014 0.000 1.246 190 S CA -0.928 57.280 58.200 0.014 0.000 1.077 190 S CB 0.520 63.727 63.200 0.013 0.000 0.814 190 S HN 0.124 nan 8.310 nan 0.000 0.503 191 P HA 0.146 nan 4.420 nan 0.000 0.257 191 P C 0.206 177.513 177.300 0.011 0.000 1.241 191 P CA -0.090 63.017 63.100 0.012 0.000 0.816 191 P CB 0.215 31.922 31.700 0.011 0.000 1.150 198 S N 0.529 116.237 115.700 0.013 0.000 2.563 198 S HA 0.149 4.619 4.470 0.000 0.000 0.284 198 S C 1.001 175.509 174.600 -0.153 0.000 1.331 198 S CA -0.432 57.738 58.200 -0.051 0.000 1.047 198 S CB 0.013 63.215 63.200 0.004 0.000 0.859 198 S HN 0.510 nan 8.310 nan 0.000 0.514 199 L N 4.901 126.062 121.223 -0.103 0.000 2.700 199 L HA 0.150 4.491 4.340 0.000 0.000 0.234 199 L C 1.610 178.516 176.870 0.060 0.000 1.156 199 L CA -0.154 54.651 54.840 -0.058 0.000 0.946 199 L CB -0.050 41.980 42.059 -0.048 0.000 1.216 199 L HN 0.537 nan 8.230 nan 0.000 0.493 200 V N 1.028 120.960 119.914 0.030 0.000 2.295 200 V HA -0.160 3.960 4.120 0.000 0.000 0.246 200 V C -0.105 175.998 176.094 0.015 0.000 1.049 200 V CA 2.002 64.320 62.300 0.029 0.000 1.024 200 V CB -1.162 30.672 31.823 0.019 0.000 0.648 200 V HN 0.358 nan 8.190 nan 0.000 0.447 201 P HA -0.225 nan 4.420 nan 0.000 0.215 201 P C 1.751 179.004 177.300 -0.078 0.000 1.157 201 P CA 1.692 64.784 63.100 -0.014 0.000 0.874 201 P CB -0.160 31.582 31.700 0.070 0.000 0.790 202 F N -0.661 119.216 119.950 -0.122 0.000 2.234 202 F HA -0.118 4.410 4.527 0.000 0.000 0.299 202 F C 1.898 177.605 175.800 -0.156 0.000 1.087 202 F CA 1.038 58.955 58.000 -0.139 0.000 1.340 202 F CB -0.554 38.409 39.000 -0.061 0.000 1.031 202 F HN -0.232 nan 8.300 nan 0.000 0.500 203 I N 0.718 121.206 120.570 -0.137 0.000 2.500 203 I HA -0.188 3.983 4.170 0.000 0.000 0.252 203 I C 1.906 177.810 176.117 -0.354 0.000 1.142 203 I CA 1.246 62.389 61.300 -0.261 0.000 1.451 203 I CB -0.871 37.130 38.000 0.002 0.000 1.093 203 I HN 0.155 nan 8.210 nan 0.000 0.430 204 N N -0.262 118.302 118.700 -0.226 0.000 2.084 204 N HA -0.210 4.530 4.740 0.000 0.000 0.190 204 N C 1.777 177.125 175.510 -0.270 0.000 1.030 204 N CA 1.121 54.062 53.050 -0.183 0.000 0.849 204 N CB -0.164 38.255 38.487 -0.113 0.000 1.012 204 N HN 0.188 nan 8.380 nan 0.000 0.423 205 L N 0.969 121.977 121.223 -0.358 0.000 2.083 205 L HA -0.068 4.272 4.340 0.000 0.000 0.209 205 L C 1.921 178.515 176.870 -0.459 0.000 1.083 205 L CA 1.226 55.833 54.840 -0.388 0.000 0.752 205 L CB -0.590 41.194 42.059 -0.460 0.000 0.899 205 L HN 0.197 nan 8.230 nan 0.000 0.433 206 L N -0.357 120.451 121.223 -0.691 0.000 2.046 206 L HA -0.004 4.336 4.340 0.000 0.000 0.208 206 L C 2.341 178.818 176.870 -0.654 0.000 1.077 206 L CA 2.101 56.508 54.840 -0.721 0.000 0.747 206 L CB -1.462 40.025 42.059 -0.953 0.000 0.896 206 L HN 0.292 nan 8.230 nan 0.000 0.432 207 G N -0.417 107.908 108.800 -0.792 0.000 2.422 207 G HA2 -0.221 3.739 3.960 0.000 0.000 0.218 207 G HA3 -0.221 3.739 3.960 0.000 0.000 0.218 207 G C 1.626 176.480 174.900 -0.078 0.000 1.146 207 G CA 1.096 45.884 45.100 -0.520 0.000 0.769 207 G HN 0.476 nan 8.290 nan 0.000 0.547 208 I N 0.410 120.921 120.570 -0.098 0.000 2.202 208 I HA -0.120 4.050 4.170 0.000 0.000 0.242 208 I C 2.659 178.797 176.117 0.035 0.000 1.091 208 I CA 0.815 62.128 61.300 0.022 0.000 1.368 208 I CB -0.258 37.754 38.000 0.019 0.000 1.058 208 I HN 0.127 nan 8.210 nan 0.000 0.410 209 I N -0.223 120.315 120.570 -0.053 0.000 2.208 209 I HA -0.360 3.810 4.170 0.000 0.000 0.245 209 I C 2.612 178.733 176.117 0.008 0.000 1.097 209 I CA 1.749 63.013 61.300 -0.060 0.000 1.363 209 I CB -0.483 37.448 38.000 -0.114 0.000 1.051 209 I HN 0.168 nan 8.210 nan 0.000 0.413 210 Y N 1.179 121.419 120.300 -0.100 0.000 2.128 210 Y HA -0.364 4.187 4.550 0.000 0.000 0.284 210 Y C 2.783 178.725 175.900 0.071 0.000 1.154 210 Y CA 2.169 60.266 58.100 -0.005 0.000 1.149 210 Y CB -0.225 38.258 38.460 0.039 0.000 0.976 210 Y HN 0.145 nan 8.280 nan 0.000 0.505 211 Q N 0.301 120.256 119.800 0.258 0.000 2.119 211 Q HA -0.116 4.224 4.340 0.000 0.000 0.201 211 Q C 1.987 178.102 176.000 0.191 0.000 0.972 211 Q CA 1.944 57.885 55.803 0.231 0.000 0.847 211 Q CB -0.437 28.443 28.738 0.237 0.000 0.903 211 Q HN 0.642 nan 8.270 nan 0.000 0.433 212 I N -0.361 120.290 120.570 0.135 0.000 2.439 212 I HA -0.206 3.964 4.170 0.000 0.000 0.251 212 I C 2.468 178.602 176.117 0.028 0.000 1.139 212 I CA 1.070 62.393 61.300 0.039 0.000 1.438 212 I CB -0.324 37.540 38.000 -0.226 0.000 1.085 212 I HN 0.177 nan 8.210 nan 0.000 0.427 213 R N 1.344 121.837 120.500 -0.013 0.000 2.066 213 R HA -0.237 4.103 4.340 0.000 0.000 0.232 213 R C 1.976 178.291 176.300 0.026 0.000 1.131 213 R CA 2.289 58.382 56.100 -0.012 0.000 0.955 213 R CB -0.302 29.922 30.300 -0.127 0.000 0.851 213 R HN 0.279 nan 8.270 nan 0.000 0.432 214 D N 0.113 120.498 120.400 -0.025 0.000 2.104 214 D HA -0.187 4.453 4.640 0.000 0.000 0.194 214 D C 1.259 177.606 176.300 0.078 0.000 0.994 214 D CA 1.929 55.933 54.000 0.008 0.000 0.830 214 D CB -0.139 40.683 40.800 0.036 0.000 0.959 214 D HN 0.269 nan 8.370 nan 0.000 0.452 215 D N -1.188 119.293 120.400 0.134 0.000 2.144 215 D HA -0.166 4.474 4.640 0.000 0.000 0.199 215 D C 1.655 178.037 176.300 0.136 0.000 0.984 215 D CA 0.738 54.832 54.000 0.157 0.000 0.834 215 D CB -0.507 40.437 40.800 0.240 0.000 0.955 215 D HN 0.386 nan 8.370 nan 0.000 0.465 216 Y N 1.272 121.590 120.300 0.030 0.000 2.133 216 Y HA -0.086 4.464 4.550 0.001 0.000 0.287 216 Y C 2.071 177.976 175.900 0.009 0.000 1.134 216 Y CA 1.281 59.389 58.100 0.013 0.000 1.133 216 Y CB -0.371 38.074 38.460 -0.025 0.000 0.987 216 Y HN -0.104 nan 8.280 nan 0.000 0.502 217 L N 0.651 121.886 121.223 0.020 0.000 2.191 217 L HA -0.247 4.093 4.340 0.000 0.000 0.212 217 L C 2.430 179.252 176.870 -0.080 0.000 1.103 217 L CA 1.424 56.223 54.840 -0.069 0.000 0.769 217 L CB -0.758 41.315 42.059 0.022 0.000 0.908 217 L HN 0.398 nan 8.230 nan 0.000 0.438 218 N N 0.828 119.509 118.700 -0.031 0.000 2.223 218 N HA -0.163 4.577 4.740 0.000 0.000 0.185 218 N C 1.785 177.283 175.510 -0.020 0.000 1.016 218 N CA 1.341 54.393 53.050 0.003 0.000 0.863 218 N CB 0.157 38.660 38.487 0.026 0.000 0.983 218 N HN 0.367 nan 8.380 nan 0.000 0.429 219 L N -0.046 121.121 121.223 -0.093 0.000 2.221 219 L HA 0.046 4.386 4.340 0.000 0.000 0.202 219 L C 2.258 179.054 176.870 -0.123 0.000 1.074 219 L CA 0.471 55.257 54.840 -0.089 0.000 0.795 219 L CB -0.223 41.768 42.059 -0.113 0.000 0.960 219 L HN -0.043 nan 8.230 nan 0.000 0.458 220 K N 0.318 120.524 120.400 -0.323 0.000 2.365 220 K HA -0.122 4.198 4.320 0.000 0.000 0.199 220 K C 1.352 177.863 176.600 -0.149 0.000 1.045 220 K CA 1.034 57.122 56.287 -0.333 0.000 0.962 220 K CB -0.078 32.023 32.500 -0.664 0.000 0.759 220 K HN 0.138 nan 8.250 nan 0.000 0.469 221 D N -1.169 119.184 120.400 -0.078 0.000 2.249 221 D HA -0.055 4.586 4.640 0.000 0.000 0.205 221 D C 1.263 177.564 176.300 0.001 0.000 0.962 221 D CA 0.490 54.474 54.000 -0.027 0.000 0.860 221 D CB -0.016 40.790 40.800 0.011 0.000 0.955 221 D HN 0.151 nan 8.370 nan 0.000 0.505 222 F N 1.322 121.209 119.950 -0.104 0.000 2.187 222 F HA -0.008 4.519 4.527 -0.001 0.000 0.295 222 F C 2.323 178.064 175.800 -0.098 0.000 1.091 222 F CA 1.034 58.973 58.000 -0.101 0.000 1.308 222 F CB -0.064 38.894 39.000 -0.071 0.000 1.030 222 F HN -0.170 nan 8.300 nan 0.000 0.487 223 Q N 0.258 120.042 119.800 -0.027 0.000 2.181 223 Q HA -0.140 4.200 4.340 0.000 0.000 0.205 223 Q C 0.728 176.634 176.000 -0.157 0.000 0.980 223 Q CA 0.956 56.698 55.803 -0.103 0.000 0.862 223 Q CB 0.016 28.713 28.738 -0.068 0.000 0.905 223 Q HN 0.378 nan 8.270 nan 0.000 0.429 230 F N 2.124 122.190 119.950 0.194 0.000 2.746 230 F HA 0.435 4.962 4.527 -0.001 0.000 0.297 230 F C 1.988 177.640 175.800 -0.248 0.000 1.113 230 F CA 0.693 58.769 58.000 0.127 0.000 1.367 230 F CB 0.687 39.710 39.000 0.040 0.000 1.111 230 F HN 1.089 nan 8.300 nan 0.000 0.590 231 A N 0.370 123.178 122.820 -0.020 0.000 2.869 231 A HA -0.265 4.055 4.320 0.000 0.000 0.280 231 A C 1.655 179.147 177.584 -0.154 0.000 1.458 231 A CA 0.738 52.641 52.037 -0.223 0.000 0.776 231 A CB -2.080 16.468 19.000 -0.753 0.000 1.028 231 A HN 0.308 nan 8.150 nan 0.000 0.547 232 E N 0.084 120.269 120.200 -0.025 0.000 2.219 232 E HA -0.203 4.147 4.350 0.000 0.000 0.198 232 E C 1.284 177.867 176.600 -0.029 0.000 0.998 232 E CA 1.480 57.865 56.400 -0.025 0.000 0.818 232 E CB -0.161 29.533 29.700 -0.010 0.000 0.741 232 E HN 0.802 nan 8.360 nan 0.000 0.477 233 D N 0.120 120.510 120.400 -0.016 0.000 2.182 233 D HA -0.135 4.505 4.640 0.000 0.000 0.201 233 D C 1.976 178.268 176.300 -0.014 0.000 0.986 233 D CA 0.618 54.620 54.000 0.003 0.000 0.847 233 D CB -0.170 40.645 40.800 0.024 0.000 0.942 233 D HN 0.292 nan 8.370 nan 0.000 0.467 234 I N 0.358 120.896 120.570 -0.054 0.000 2.286 234 I HA -0.195 3.976 4.170 0.000 0.000 0.245 234 I C 2.168 178.254 176.117 -0.051 0.000 1.104 234 I CA 0.957 62.220 61.300 -0.062 0.000 1.397 234 I CB -0.315 37.618 38.000 -0.111 0.000 1.072 234 I HN -0.061 nan 8.210 nan 0.000 0.417 235 T N -0.065 114.453 114.554 -0.059 0.000 2.833 235 T HA -0.225 4.125 4.350 0.000 0.000 0.269 235 T C 1.790 176.476 174.700 -0.023 0.000 1.054 235 T CA 1.351 63.426 62.100 -0.042 0.000 1.135 235 T CB -0.218 68.626 68.868 -0.041 0.000 0.869 235 T HN 0.411 nan 8.240 nan 0.000 0.466 236 E N 0.355 120.546 120.200 -0.014 0.000 2.208 236 E HA 0.011 4.361 4.350 0.000 0.000 0.193 236 E C 1.579 178.183 176.600 0.007 0.000 0.988 236 E CA 0.641 57.042 56.400 0.001 0.000 0.828 236 E CB -0.158 29.550 29.700 0.014 0.000 0.763 236 E HN 0.540 nan 8.360 nan 0.000 0.478 237 G N 2.048 110.850 108.800 0.005 0.000 2.141 237 G HA2 -0.324 3.636 3.960 0.000 0.000 0.242 237 G HA3 -0.324 3.636 3.960 0.000 0.000 0.242 237 G C 0.170 175.094 174.900 0.040 0.000 0.982 237 G CA 0.434 45.540 45.100 0.010 0.000 0.662 237 G HN 0.313 nan 8.290 nan 0.000 0.527 238 K N 0.529 120.962 120.400 0.055 0.000 2.511 238 K HA 0.231 4.552 4.320 0.000 0.000 0.280 238 K C 0.944 177.616 176.600 0.121 0.000 1.008 238 K CA -0.410 55.938 56.287 0.101 0.000 1.050 238 K CB 0.049 32.610 32.500 0.102 0.000 0.889 238 K HN 0.024 nan 8.250 nan 0.000 0.484 239 L N 5.400 126.735 121.223 0.187 0.000 2.437 239 L HA 0.031 4.371 4.340 0.000 0.000 0.243 239 L C 0.467 177.479 176.870 0.237 0.000 1.346 239 L CA 0.468 55.411 54.840 0.173 0.000 1.233 239 L CB -1.487 40.700 42.059 0.213 0.000 1.436 239 L HN 0.708 nan 8.230 nan 0.000 0.416 240 S N -0.602 115.201 115.700 0.172 0.000 2.608 240 S HA 0.106 4.576 4.470 0.000 0.000 0.261 240 S C 1.258 175.898 174.600 0.066 0.000 1.314 240 S CA -0.413 57.920 58.200 0.221 0.000 0.992 240 S CB 0.774 64.071 63.200 0.161 0.000 0.935 240 S HN 0.363 nan 8.310 nan 0.000 0.564 241 F N 2.466 122.324 119.950 -0.154 0.000 2.065 241 F HA 0.042 4.569 4.527 -0.000 0.000 0.298 241 F C -1.031 174.640 175.800 -0.215 0.000 1.112 241 F CA 1.696 59.408 58.000 -0.480 0.000 1.212 241 F CB -1.368 37.371 39.000 -0.434 0.000 0.975 241 F HN 0.478 nan 8.300 nan 0.000 0.476 242 P HA -0.166 nan 4.420 nan 0.000 0.218 242 P C 1.952 179.227 177.300 -0.042 0.000 1.149 242 P CA 1.337 64.473 63.100 0.061 0.000 0.817 242 P CB -0.067 31.698 31.700 0.109 0.000 0.785 243 I N -1.219 119.318 120.570 -0.055 0.000 2.286 243 I HA -0.131 4.039 4.170 0.000 0.000 0.245 243 I C 2.207 178.239 176.117 -0.141 0.000 1.104 243 I CA 1.346 62.604 61.300 -0.071 0.000 1.397 243 I CB -1.220 36.759 38.000 -0.035 0.000 1.072 243 I HN -0.126 nan 8.210 nan 0.000 0.417 244 V N 0.819 120.595 119.914 -0.229 0.000 2.343 244 V HA -0.288 3.832 4.120 0.000 0.000 0.247 244 V C 2.627 178.518 176.094 -0.339 0.000 1.051 244 V CA 1.946 64.062 62.300 -0.306 0.000 1.036 244 V CB -0.935 30.636 31.823 -0.421 0.000 0.654 244 V HN 0.493 nan 8.190 nan 0.000 0.451 245 H N 0.809 119.567 119.070 -0.520 0.000 2.293 245 H HA -0.143 4.413 4.556 0.000 0.000 0.300 245 H C 2.266 177.426 175.328 -0.279 0.000 1.082 245 H CA 2.118 57.860 56.048 -0.510 0.000 1.308 245 H CB -0.117 29.237 29.762 -0.681 0.000 1.375 245 H HN 0.359 nan 8.280 nan 0.000 0.495 246 A N 1.484 124.251 122.820 -0.088 0.000 1.917 246 A HA -0.140 4.180 4.320 0.000 0.000 0.219 246 A C 2.970 180.525 177.584 -0.048 0.000 1.182 246 A CA 1.618 53.622 52.037 -0.055 0.000 0.633 246 A CB -0.983 18.004 19.000 -0.021 0.000 0.819 246 A HN 0.449 nan 8.150 nan 0.000 0.448 247 L N -0.329 120.840 121.223 -0.091 0.000 2.017 247 L HA -0.190 4.150 4.340 0.000 0.000 0.208 247 L C 2.184 179.085 176.870 0.052 0.000 1.073 247 L CA 1.345 56.156 54.840 -0.048 0.000 0.745 247 L CB -0.591 41.390 42.059 -0.130 0.000 0.894 247 L HN 0.407 nan 8.230 nan 0.000 0.432 248 N N -0.515 118.129 118.700 -0.094 0.000 2.396 248 N HA -0.168 4.572 4.740 0.000 0.000 0.180 248 N C 1.692 177.117 175.510 -0.140 0.000 1.028 248 N CA 1.038 54.014 53.050 -0.124 0.000 0.893 248 N CB -0.122 38.243 38.487 -0.205 0.000 0.967 248 N HN 0.256 nan 8.380 nan 0.000 0.440 249 F N 2.347 122.089 119.950 -0.347 0.000 2.098 249 F HA -0.145 4.382 4.527 0.000 0.000 0.294 249 F C 2.605 178.309 175.800 -0.159 0.000 1.107 249 F CA 1.629 59.427 58.000 -0.336 0.000 1.234 249 F CB -0.631 38.099 39.000 -0.450 0.000 1.002 249 F HN 0.015 nan 8.300 nan 0.000 0.472 250 T N -1.542 113.092 114.554 0.132 0.000 2.788 250 T HA -0.224 4.126 4.350 0.000 0.000 0.268 250 T C 2.053 176.709 174.700 -0.073 0.000 1.044 250 T CA 1.541 63.689 62.100 0.079 0.000 1.139 250 T CB -0.606 68.392 68.868 0.216 0.000 0.867 250 T HN 0.369 nan 8.240 nan 0.000 0.454 251 K N 1.015 121.351 120.400 -0.106 0.000 2.026 251 K HA -0.108 4.212 4.320 0.000 0.000 0.208 251 K C 2.310 178.772 176.600 -0.229 0.000 1.048 251 K CA 1.699 57.812 56.287 -0.289 0.000 0.929 251 K CB -0.555 31.771 32.500 -0.289 0.000 0.713 251 K HN 0.314 nan 8.250 nan 0.000 0.439 252 T N 1.096 115.512 114.554 -0.230 0.000 2.881 252 T HA -0.028 4.322 4.350 0.000 0.000 0.270 252 T C 1.152 175.687 174.700 -0.275 0.000 1.068 252 T CA 1.075 63.029 62.100 -0.243 0.000 1.131 252 T CB 0.063 68.772 68.868 -0.265 0.000 0.871 252 T HN 0.248 nan 8.240 nan 0.000 0.479 253 K N 0.102 120.301 120.400 -0.334 0.000 2.399 253 K HA 0.306 4.626 4.320 0.000 0.000 0.204 253 K C 1.382 177.876 176.600 -0.177 0.000 1.023 253 K CA 0.258 56.365 56.287 -0.299 0.000 1.127 253 K CB 0.795 33.021 32.500 -0.457 0.000 0.856 253 K HN 0.341 nan 8.250 nan 0.000 0.514 254 G N 2.170 110.875 108.800 -0.158 0.000 2.175 254 G HA2 -0.343 3.617 3.960 0.000 0.000 0.265 254 G HA3 -0.343 3.617 3.960 0.000 0.000 0.265 254 G C 0.187 175.042 174.900 -0.076 0.000 0.979 254 G CA 0.207 45.238 45.100 -0.114 0.000 0.663 254 G HN 0.471 nan 8.290 nan 0.000 0.533 255 Q N 0.693 120.457 119.800 -0.061 0.000 3.034 255 Q HA 0.233 4.573 4.340 0.000 0.000 0.249 255 Q C 1.866 177.886 176.000 0.033 0.000 1.282 255 Q CA 0.426 56.231 55.803 0.003 0.000 0.918 255 Q CB -0.317 28.450 28.738 0.047 0.000 1.772 255 Q HN 0.466 nan 8.270 nan 0.000 0.498 256 T N 0.706 115.261 114.554 0.003 0.000 2.649 256 T HA -0.224 4.126 4.350 0.000 0.000 0.268 256 T C 1.548 176.290 174.700 0.070 0.000 1.036 256 T CA 1.374 63.486 62.100 0.021 0.000 1.157 256 T CB 0.056 68.918 68.868 -0.010 0.000 0.861 256 T HN 0.411 nan 8.240 nan 0.000 0.445 257 E N 0.649 120.879 120.200 0.050 0.000 2.107 257 E HA -0.061 4.289 4.350 0.000 0.000 0.191 257 E C 2.389 179.026 176.600 0.062 0.000 0.982 257 E CA 1.065 57.495 56.400 0.050 0.000 0.809 257 E CB -0.198 29.522 29.700 0.033 0.000 0.756 257 E HN 0.533 nan 8.360 nan 0.000 0.459 258 Q N -0.905 118.940 119.800 0.075 0.000 2.079 258 Q HA -0.139 4.201 4.340 0.000 0.000 0.200 258 Q C 2.025 178.074 176.000 0.082 0.000 0.974 258 Q CA 1.502 57.351 55.803 0.077 0.000 0.840 258 Q CB -0.368 28.428 28.738 0.097 0.000 0.898 258 Q HN 0.395 nan 8.270 nan 0.000 0.430 259 H N 0.650 119.726 119.070 0.010 0.000 2.289 259 H HA -0.129 4.428 4.556 0.000 0.000 0.296 259 H C 1.404 176.728 175.328 -0.007 0.000 1.091 259 H CA 2.100 58.145 56.048 -0.005 0.000 1.274 259 H CB 0.040 29.790 29.762 -0.019 0.000 1.364 259 H HN 0.214 nan 8.280 nan 0.000 0.490 260 N N 0.103 118.856 118.700 0.088 0.000 2.244 260 N HA -0.122 4.618 4.740 0.000 0.000 0.183 260 N C 1.885 177.385 175.510 -0.018 0.000 1.016 260 N CA 1.187 54.251 53.050 0.022 0.000 0.866 260 N CB -0.312 38.210 38.487 0.057 0.000 0.980 260 N HN 0.456 nan 8.380 nan 0.000 0.430 261 E N 1.099 121.297 120.200 -0.002 0.000 2.077 261 E HA -0.006 4.345 4.350 0.000 0.000 0.193 261 E C 1.871 178.452 176.600 -0.031 0.000 0.989 261 E CA 0.784 57.180 56.400 -0.006 0.000 0.800 261 E CB -0.344 29.364 29.700 0.013 0.000 0.746 261 E HN 0.343 nan 8.360 nan 0.000 0.452 262 I N 0.102 120.640 120.570 -0.055 0.000 2.163 262 I HA -0.295 3.875 4.170 0.000 0.000 0.243 262 I C 2.351 178.410 176.117 -0.096 0.000 1.085 262 I CA 0.978 62.232 61.300 -0.077 0.000 1.347 262 I CB -0.258 37.675 38.000 -0.112 0.000 1.044 262 I HN 0.151 nan 8.210 nan 0.000 0.408 263 L N 0.029 121.169 121.223 -0.138 0.000 2.042 263 L HA -0.227 4.113 4.340 0.000 0.000 0.210 263 L C 2.778 179.610 176.870 -0.063 0.000 1.076 263 L CA 1.482 56.253 54.840 -0.115 0.000 0.749 263 L CB -0.592 41.390 42.059 -0.129 0.000 0.893 263 L HN 0.186 nan 8.230 nan 0.000 0.432 264 R N -0.115 120.356 120.500 -0.047 0.000 2.096 264 R HA -0.140 4.200 4.340 0.000 0.000 0.235 264 R C 2.242 178.526 176.300 -0.027 0.000 1.127 264 R CA 1.338 57.421 56.100 -0.029 0.000 0.968 264 R CB -0.349 29.941 30.300 -0.017 0.000 0.861 264 R HN 0.351 nan 8.270 nan 0.000 0.440 265 I N 0.621 121.174 120.570 -0.029 0.000 2.286 265 I HA -0.242 3.928 4.170 0.000 0.000 0.245 265 I C 2.211 178.309 176.117 -0.031 0.000 1.104 265 I CA 0.984 62.269 61.300 -0.025 0.000 1.397 265 I CB -0.133 37.854 38.000 -0.022 0.000 1.072 265 I HN 0.121 nan 8.210 nan 0.000 0.417 266 L N 0.173 121.374 121.223 -0.037 0.000 2.012 266 L HA -0.251 4.089 4.340 0.000 0.000 0.210 266 L C 2.404 179.257 176.870 -0.029 0.000 1.073 266 L CA 1.571 56.391 54.840 -0.033 0.000 0.748 266 L CB -0.611 41.426 42.059 -0.036 0.000 0.891 266 L HN 0.284 nan 8.230 nan 0.000 0.431 267 L N -0.468 120.736 121.223 -0.031 0.000 2.549 267 L HA -0.169 4.171 4.340 0.000 0.000 0.229 267 L C 2.251 179.104 176.870 -0.028 0.000 1.158 267 L CA 0.420 55.242 54.840 -0.031 0.000 0.842 267 L CB -0.213 41.826 42.059 -0.032 0.000 0.952 267 L HN 0.313 nan 8.230 nan 0.000 0.452 268 L N -0.768 120.439 121.223 -0.025 0.000 2.313 268 L HA 0.002 4.343 4.340 0.000 0.000 0.214 268 L C 0.735 177.592 176.870 -0.022 0.000 1.119 268 L CA -0.046 54.782 54.840 -0.022 0.000 0.809 268 L CB -0.075 41.974 42.059 -0.018 0.000 0.933 268 L HN 0.236 nan 8.230 nan 0.000 0.449 269 R N 0.624 121.110 120.500 -0.024 0.000 3.322 269 R HA -0.165 4.175 4.340 0.000 0.000 0.253 269 R C 0.278 176.566 176.300 -0.021 0.000 0.987 269 R CA 0.774 56.860 56.100 -0.023 0.000 0.666 269 R CB -2.910 27.376 30.300 -0.023 0.000 1.072 269 R HN 0.239 nan 8.270 nan 0.000 0.447 270 T N -1.414 113.125 114.554 -0.024 0.000 2.882 270 T HA 0.381 4.731 4.350 0.000 0.000 0.287 270 T C 1.031 175.715 174.700 -0.026 0.000 0.992 270 T CA -0.075 62.013 62.100 -0.021 0.000 1.076 270 T CB 1.028 69.885 68.868 -0.018 0.000 0.961 270 T HN 0.256 nan 8.240 nan 0.000 0.490 271 S N 2.581 118.275 115.700 -0.011 0.000 2.539 271 S HA 0.133 4.603 4.470 0.000 0.000 0.221 271 S C 0.324 174.932 174.600 0.014 0.000 0.987 271 S CA -0.454 57.745 58.200 -0.002 0.000 0.929 271 S CB 0.090 63.299 63.200 0.015 0.000 0.832 271 S HN 0.830 nan 8.310 nan 0.000 0.492 272 D N 2.884 123.291 120.400 0.012 0.000 2.363 272 D HA 0.012 4.653 4.640 0.000 0.000 0.263 272 D C 1.113 177.444 176.300 0.051 0.000 1.258 272 D CA 0.200 54.219 54.000 0.032 0.000 0.907 272 D CB 0.675 41.489 40.800 0.023 0.000 1.107 272 D HN 0.158 nan 8.370 nan 0.000 0.495 273 K N 3.773 124.233 120.400 0.100 0.000 2.052 273 K HA -0.264 4.056 4.320 0.000 0.000 0.215 273 K C 0.954 177.669 176.600 0.192 0.000 1.053 273 K CA 1.981 58.392 56.287 0.207 0.000 0.934 273 K CB 0.122 32.742 32.500 0.201 0.000 0.717 273 K HN 0.352 nan 8.250 nan 0.000 0.450 274 D N 0.470 120.938 120.400 0.114 0.000 2.104 274 D HA -0.171 4.469 4.640 0.000 0.000 0.194 274 D C 1.969 178.317 176.300 0.079 0.000 0.994 274 D CA 1.552 55.606 54.000 0.089 0.000 0.830 274 D CB -0.166 40.668 40.800 0.056 0.000 0.959 274 D HN 0.379 nan 8.370 nan 0.000 0.452 275 I N 0.773 121.376 120.570 0.055 0.000 2.353 275 I HA -0.198 3.972 4.170 0.000 0.000 0.248 275 I C 2.211 178.346 176.117 0.030 0.000 1.119 275 I CA 0.844 62.165 61.300 0.035 0.000 1.417 275 I CB -0.175 37.834 38.000 0.015 0.000 1.078 275 I HN -0.025 nan 8.210 nan 0.000 0.421 276 K N 1.049 121.459 120.400 0.017 0.000 2.063 276 K HA -0.150 4.171 4.320 0.000 0.000 0.208 276 K C 2.145 178.787 176.600 0.070 0.000 1.048 276 K CA 1.283 57.545 56.287 -0.042 0.000 0.928 276 K CB -0.341 32.013 32.500 -0.244 0.000 0.713 276 K HN 0.313 nan 8.250 nan 0.000 0.442 277 L N 1.412 122.755 121.223 0.200 0.000 2.042 277 L HA -0.201 4.139 4.340 0.000 0.000 0.210 277 L C 2.729 179.672 176.870 0.121 0.000 1.076 277 L CA 1.327 56.297 54.840 0.215 0.000 0.749 277 L CB -0.434 41.738 42.059 0.188 0.000 0.893 277 L HN 0.221 nan 8.230 nan 0.000 0.432 278 K N 0.388 120.842 120.400 0.090 0.000 2.063 278 K HA -0.244 4.076 4.320 0.000 0.000 0.208 278 K C 2.174 178.813 176.600 0.064 0.000 1.048 278 K CA 1.532 57.864 56.287 0.075 0.000 0.928 278 K CB -0.111 32.422 32.500 0.054 0.000 0.713 278 K HN 0.119 nan 8.250 nan 0.000 0.442 279 L N 1.394 122.642 121.223 0.042 0.000 2.056 279 L HA -0.067 4.274 4.340 0.000 0.000 0.207 279 L C 1.929 178.812 176.870 0.022 0.000 1.078 279 L CA 1.424 56.276 54.840 0.021 0.000 0.749 279 L CB -0.263 41.792 42.059 -0.006 0.000 0.901 279 L HN 0.215 nan 8.230 nan 0.000 0.433 280 I N -0.057 120.534 120.570 0.035 0.000 2.226 280 I HA -0.332 3.838 4.170 0.000 0.000 0.245 280 I C 2.672 178.786 176.117 -0.005 0.000 1.100 280 I CA 1.704 63.015 61.300 0.018 0.000 1.374 280 I CB -0.388 37.650 38.000 0.063 0.000 1.057 280 I HN 0.533 nan 8.210 nan 0.000 0.413 281 Q N 1.103 120.932 119.800 0.048 0.000 2.291 281 Q HA -0.191 4.149 4.340 0.000 0.000 0.206 281 Q C 2.126 178.205 176.000 0.132 0.000 0.976 281 Q CA 1.581 57.440 55.803 0.093 0.000 0.875 281 Q CB -0.350 28.550 28.738 0.269 0.000 0.927 281 Q HN 0.533 nan 8.270 nan 0.000 0.450 282 I N 0.310 120.934 120.570 0.091 0.000 2.252 282 I HA -0.231 3.939 4.170 0.000 0.000 0.245 282 I C 1.682 177.817 176.117 0.029 0.000 1.102 282 I CA 0.744 62.095 61.300 0.085 0.000 1.385 282 I CB -0.068 37.965 38.000 0.055 0.000 1.064 282 I HN 0.230 nan 8.210 nan 0.000 0.414 283 L N 0.273 121.485 121.223 -0.018 0.000 2.376 283 L HA -0.135 4.205 4.340 0.000 0.000 0.219 283 L C 2.260 179.062 176.870 -0.114 0.000 1.133 283 L CA 1.350 56.155 54.840 -0.058 0.000 0.816 283 L CB -0.567 41.465 42.059 -0.046 0.000 0.933 283 L HN 0.154 nan 8.230 nan 0.000 0.449 284 E N -0.857 119.233 120.200 -0.183 0.000 2.127 284 E HA -0.012 4.338 4.350 0.000 0.000 0.191 284 E C 2.002 178.389 176.600 -0.355 0.000 0.964 284 E CA 1.119 57.319 56.400 -0.333 0.000 0.832 284 E CB -0.108 29.268 29.700 -0.539 0.000 0.790 284 E HN 0.392 nan 8.360 nan 0.000 0.465 285 F N 0.109 120.054 119.950 -0.008 0.000 2.317 285 F HA 0.075 4.602 4.527 -0.000 0.000 0.293 285 F C 2.154 177.956 175.800 0.004 0.000 1.085 285 F CA 0.883 58.884 58.000 0.002 0.000 1.390 285 F CB 0.175 39.182 39.000 0.011 0.000 1.077 285 F HN 0.089 nan 8.300 nan 0.000 0.517 286 D N 0.009 120.511 120.400 0.169 0.000 2.232 286 D HA -0.107 4.533 4.640 0.000 0.000 0.220 286 D C 2.125 178.424 176.300 -0.002 0.000 0.982 286 D CA 2.095 56.172 54.000 0.128 0.000 0.892 286 D CB -0.233 40.651 40.800 0.141 0.000 1.040 286 D HN 0.233 nan 8.370 nan 0.000 0.463 287 T N -2.096 112.341 114.554 -0.195 0.000 3.057 287 T HA 0.038 4.388 4.350 0.000 0.000 0.254 287 T C 0.948 175.263 174.700 -0.642 0.000 1.094 287 T CA 0.474 62.099 62.100 -0.791 0.000 1.088 287 T CB -0.398 68.206 68.868 -0.441 0.000 0.934 287 T HN 0.340 nan 8.240 nan 0.000 0.497 288 N N 0.440 118.969 118.700 -0.283 0.000 2.725 288 N HA -0.211 4.529 4.740 0.000 0.000 0.251 288 N C 0.419 175.811 175.510 -0.197 0.000 1.031 288 N CA 0.280 53.221 53.050 -0.181 0.000 0.720 288 N CB -0.778 37.638 38.487 -0.119 0.000 0.930 288 N HN 0.435 nan 8.380 nan 0.000 0.543 289 S N -0.127 115.458 115.700 -0.192 0.000 2.377 289 S HA 0.020 4.490 4.470 0.000 0.000 0.223 289 S C 1.929 176.499 174.600 -0.050 0.000 1.030 289 S CA 0.510 58.562 58.200 -0.246 0.000 0.970 289 S CB 0.172 63.341 63.200 -0.052 0.000 0.830 289 S HN 0.355 nan 8.310 nan 0.000 0.473 290 L N 1.278 122.509 121.223 0.014 0.000 2.046 290 L HA -0.105 4.235 4.340 0.000 0.000 0.208 290 L C 2.815 179.799 176.870 0.190 0.000 1.077 290 L CA 1.315 56.251 54.840 0.159 0.000 0.747 290 L CB -0.771 41.333 42.059 0.076 0.000 0.896 290 L HN 0.315 nan 8.230 nan 0.000 0.432 291 A N -0.667 122.191 122.820 0.064 0.000 1.930 291 A HA -0.274 4.047 4.320 0.000 0.000 0.217 291 A C 2.213 179.800 177.584 0.005 0.000 1.175 291 A CA 1.356 53.408 52.037 0.026 0.000 0.627 291 A CB -0.883 18.117 19.000 0.001 0.000 0.815 291 A HN 0.487 nan 8.150 nan 0.000 0.443 292 Y N 1.272 121.488 120.300 -0.140 0.000 2.274 292 Y HA -0.170 4.380 4.550 0.000 0.000 0.290 292 Y C 2.455 178.334 175.900 -0.035 0.000 1.145 292 Y CA 2.168 60.173 58.100 -0.158 0.000 1.203 292 Y CB -0.434 37.718 38.460 -0.514 0.000 0.984 292 Y HN 0.302 nan 8.280 nan 0.000 0.533 293 T N 0.247 114.875 114.554 0.124 0.000 2.851 293 T HA -0.128 4.222 4.350 0.000 0.000 0.262 293 T C 1.848 176.409 174.700 -0.231 0.000 1.043 293 T CA 1.386 63.532 62.100 0.077 0.000 1.140 293 T CB -0.199 68.832 68.868 0.272 0.000 0.872 293 T HN 0.279 nan 8.240 nan 0.000 0.446 294 K N 1.508 121.697 120.400 -0.352 0.000 2.063 294 K HA -0.177 4.143 4.320 0.000 0.000 0.208 294 K C 2.306 178.723 176.600 -0.305 0.000 1.048 294 K CA 1.410 57.385 56.287 -0.521 0.000 0.928 294 K CB -0.213 32.053 32.500 -0.390 0.000 0.713 294 K HN 0.244 nan 8.250 nan 0.000 0.442 295 N N 0.026 118.591 118.700 -0.225 0.000 2.106 295 N HA -0.192 4.548 4.740 0.000 0.000 0.188 295 N C 1.915 177.295 175.510 -0.217 0.000 1.029 295 N CA 1.245 54.173 53.050 -0.203 0.000 0.848 295 N CB -0.211 38.160 38.487 -0.194 0.000 1.007 295 N HN 0.210 nan 8.380 nan 0.000 0.423 296 F N 1.843 121.550 119.950 -0.405 0.000 2.095 296 F HA -0.139 4.388 4.527 0.000 0.000 0.298 296 F C 2.304 177.915 175.800 -0.314 0.000 1.104 296 F CA 1.271 59.051 58.000 -0.367 0.000 1.232 296 F CB -0.261 38.502 39.000 -0.395 0.000 0.987 296 F HN 0.004 nan 8.300 nan 0.000 0.475 297 I N 0.532 120.989 120.570 -0.188 0.000 2.069 297 I HA -0.446 3.724 4.170 0.000 0.000 0.237 297 I C 2.084 178.050 176.117 -0.253 0.000 1.053 297 I CA 2.295 63.453 61.300 -0.237 0.000 1.311 297 I CB -0.984 36.855 38.000 -0.268 0.000 1.030 297 I HN 0.217 nan 8.210 nan 0.000 0.398 298 N N 0.109 118.673 118.700 -0.228 0.000 2.049 298 N HA -0.315 4.426 4.740 0.000 0.000 0.198 298 N C 1.877 177.272 175.510 -0.192 0.000 1.030 298 N CA 1.699 54.639 53.050 -0.183 0.000 0.870 298 N CB -0.229 38.163 38.487 -0.159 0.000 1.045 298 N HN 0.424 nan 8.380 nan 0.000 0.434 299 Q N 0.489 120.140 119.800 -0.248 0.000 2.077 299 Q HA -0.170 4.170 4.340 0.000 0.000 0.206 299 Q C 2.274 178.113 176.000 -0.267 0.000 0.989 299 Q CA 1.249 56.896 55.803 -0.260 0.000 0.853 299 Q CB -0.211 28.316 28.738 -0.352 0.000 0.907 299 Q HN 0.452 nan 8.270 nan 0.000 0.418 300 L N -0.233 120.773 121.223 -0.362 0.000 2.042 300 L HA -0.213 4.128 4.340 0.000 0.000 0.210 300 L C 2.369 179.132 176.870 -0.178 0.000 1.076 300 L CA 0.879 55.542 54.840 -0.296 0.000 0.749 300 L CB -0.507 41.360 42.059 -0.319 0.000 0.893 300 L HN 0.121 nan 8.230 nan 0.000 0.432 301 V N -0.200 119.621 119.914 -0.155 0.000 2.307 301 V HA -0.241 3.879 4.120 0.000 0.000 0.245 301 V C 2.214 178.279 176.094 -0.048 0.000 1.045 301 V CA 1.686 63.932 62.300 -0.089 0.000 1.024 301 V CB -0.753 31.021 31.823 -0.081 0.000 0.651 301 V HN 0.476 nan 8.190 nan 0.000 0.449 302 N N 0.213 118.873 118.700 -0.066 0.000 2.091 302 N HA -0.226 4.514 4.740 0.000 0.000 0.193 302 N C 1.790 177.300 175.510 0.001 0.000 1.021 302 N CA 1.797 54.825 53.050 -0.037 0.000 0.862 302 N CB -0.453 38.001 38.487 -0.056 0.000 1.018 302 N HN 0.443 nan 8.380 nan 0.000 0.429 303 M N 0.118 119.716 119.600 -0.002 0.000 2.192 303 M HA -0.168 4.312 4.480 0.000 0.000 0.259 303 M C 1.779 178.180 176.300 0.168 0.000 1.071 303 M CA 1.415 56.764 55.300 0.081 0.000 1.082 303 M CB -0.254 32.380 32.600 0.057 0.000 1.373 303 M HN 0.130 nan 8.290 nan 0.000 0.408 304 I N -0.891 119.759 120.570 0.133 0.000 2.429 304 I HA -0.185 3.985 4.170 0.000 0.000 0.247 304 I C 2.113 178.301 176.117 0.117 0.000 1.099 304 I CA 0.859 62.277 61.300 0.197 0.000 1.422 304 I CB -0.351 37.788 38.000 0.231 0.000 1.112 304 I HN 0.136 nan 8.210 nan 0.000 0.430 305 K N 0.959 121.401 120.400 0.069 0.000 2.281 305 K HA -0.101 4.219 4.320 0.000 0.000 0.203 305 K C 0.367 176.983 176.600 0.027 0.000 1.046 305 K CA 0.981 57.291 56.287 0.038 0.000 0.938 305 K CB -0.067 32.443 32.500 0.016 0.000 0.737 305 K HN 0.266 nan 8.250 nan 0.000 0.458 306 N N 1.161 119.880 118.700 0.031 0.000 2.467 306 N HA -0.002 4.738 4.740 0.000 0.000 0.278 306 N C -1.126 174.392 175.510 0.014 0.000 1.306 306 N CA 0.072 53.131 53.050 0.015 0.000 0.905 306 N CB 0.830 39.320 38.487 0.006 0.000 1.236 306 N HN 0.048 nan 8.380 nan 0.000 0.509 307 D N 0.192 120.606 120.400 0.024 0.000 2.638 307 D HA 0.220 4.860 4.640 0.000 0.000 0.245 307 D C 0.743 177.026 176.300 -0.029 0.000 1.176 307 D CA -0.250 53.746 54.000 -0.007 0.000 0.996 307 D CB 0.034 40.859 40.800 0.041 0.000 1.012 307 D HN -0.039 nan 8.370 nan 0.000 0.515 308 N N 1.320 119.998 118.700 -0.037 0.000 2.331 308 N HA -0.105 4.635 4.740 0.000 0.000 0.180 308 N C 0.869 176.347 175.510 -0.054 0.000 1.019 308 N CA 0.684 53.711 53.050 -0.037 0.000 0.881 308 N CB 0.212 38.681 38.487 -0.032 0.000 0.972 308 N HN 0.599 nan 8.380 nan 0.000 0.435 309 E N 0.840 120.995 120.200 -0.076 0.000 2.435 309 E HA 0.040 4.390 4.350 0.000 0.000 0.195 309 E C -0.361 176.174 176.600 -0.109 0.000 1.029 309 E CA -0.071 56.274 56.400 -0.093 0.000 0.865 309 E CB -0.096 29.540 29.700 -0.108 0.000 0.833 309 E HN 0.230 nan 8.360 nan 0.000 0.510 310 N N 1.387 120.031 118.700 -0.092 0.000 2.746 310 N HA -0.201 4.539 4.740 0.000 0.000 0.250 310 N C 0.565 176.030 175.510 -0.074 0.000 1.055 310 N CA 0.742 53.755 53.050 -0.062 0.000 0.699 310 N CB -0.890 37.563 38.487 -0.057 0.000 0.919 310 N HN 0.303 nan 8.380 nan 0.000 0.548 311 K N -0.493 119.808 120.400 -0.165 0.000 2.167 311 K HA -0.037 4.283 4.320 0.000 0.000 0.203 311 K C 1.123 177.744 176.600 0.036 0.000 1.052 311 K CA 0.953 57.114 56.287 -0.209 0.000 0.956 311 K CB 0.143 32.351 32.500 -0.486 0.000 0.735 311 K HN 0.476 nan 8.250 nan 0.000 0.451 312 Y N 0.309 120.720 120.300 0.186 0.000 2.506 312 Y HA 0.163 4.713 4.550 0.000 0.000 0.287 312 Y C 0.884 176.820 175.900 0.060 0.000 1.147 312 Y CA -0.892 57.312 58.100 0.173 0.000 1.241 312 Y CB 0.295 38.882 38.460 0.211 0.000 1.279 312 Y HN -0.180 nan 8.280 nan 0.000 0.527 313 L N 3.047 124.364 121.223 0.157 0.000 2.482 313 L HA 0.064 4.404 4.340 0.000 0.000 0.273 313 L C -1.868 175.027 176.870 0.042 0.000 1.228 313 L CA -1.919 52.865 54.840 -0.092 0.000 0.827 313 L CB -0.099 41.925 42.059 -0.057 0.000 1.099 313 L HN -0.071 nan 8.230 nan 0.000 0.494 314 P HA 0.000 nan 4.420 nan 0.000 0.216 314 P CA 0.000 63.160 63.100 0.100 0.000 0.800 314 P CB 0.000 31.673 31.700 -0.046 0.000 0.726