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 3ksl_1_B DATA FIRST_RESID 21 DATA SEQUENCE EPLYSLRPEH ARERLQDDSV ETVTSIEQAK VEEKIQEVFS SYKFNHLVPR DATA SEQUENCE LVLQREKHFH YLKRGLRQLT DAYECLDASR PWLCYWILHS LELLDEPIPQ DATA SEQUENCE IVATDVCQFL ELCQSPDGGF GGGPGQYPHL APTYAAVNAL CIIGTEEAYN DATA SEQUENCE VINREKLLQY LYSLKQPDGS FLMHVGGEVD VRSAYCAASV ASLTNIITPD DATA SEQUENCE LFEGTAEWIA RCQNWEGGIG GVPGMEAHGG YTFCGLAALV ILKKERSLNL DATA SEQUENCE KSLLQWVTSR QMRFEGGFQG RCNKLVDGCY SFWQAGLLPL LHRALHAQGD DATA SEQUENCE PALSMSHWMF HQQALQEYIL MCCQCPAGGL LDKPGKSRDF YHTCYCLSGL DATA SEQUENCE SIAQHFGSGA MLHDVVMGVP ENVLQPTHPV YNIGPDKVIQ ATTHFLQKPV DATA SEQUENCE PGF 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 21 E HA 0.000 nan 4.350 nan 0.000 0.291 21 E C 0.000 176.557 176.600 -0.072 0.000 1.382 21 E CA 0.000 56.355 56.400 -0.075 0.000 0.976 21 E CB 0.000 29.653 29.700 -0.079 0.000 0.812 22 P HA 0.143 nan 4.420 nan 0.000 0.242 22 P C -0.185 177.077 177.300 -0.063 0.000 1.197 22 P CA 0.719 63.785 63.100 -0.056 0.000 0.765 22 P CB 0.271 31.938 31.700 -0.056 0.000 0.936 23 L N -0.273 120.886 121.223 -0.107 0.000 2.265 23 L HA 0.264 4.604 4.340 0.000 0.000 0.289 23 L C 1.731 178.505 176.870 -0.160 0.000 1.033 23 L CA -1.019 53.740 54.840 -0.135 0.000 0.814 23 L CB 0.957 42.891 42.059 -0.209 0.000 1.203 23 L HN -0.201 nan 8.230 nan 0.000 0.423 24 Y N 2.816 122.965 120.300 -0.253 0.000 2.102 24 Y HA -0.349 4.201 4.550 0.000 0.000 0.280 24 Y C 2.315 177.875 175.900 -0.566 0.000 1.178 24 Y CA 2.296 60.216 58.100 -0.299 0.000 1.146 24 Y CB 0.236 38.542 38.460 -0.258 0.000 0.968 24 Y HN 0.661 nan 8.280 nan 0.000 0.504 25 S N -0.312 114.928 115.700 -0.767 0.000 2.481 25 S HA -0.067 4.403 4.470 0.000 0.000 0.231 25 S C 1.336 175.242 174.600 -1.157 0.000 0.996 25 S CA 1.045 58.322 58.200 -1.539 0.000 0.942 25 S CB -0.158 61.980 63.200 -1.769 0.000 0.768 25 S HN 0.296 nan 8.310 nan 0.000 0.520 26 L N 0.716 121.555 121.223 -0.640 0.000 2.640 26 L HA 0.299 4.639 4.340 0.000 0.000 0.230 26 L C 0.773 177.516 176.870 -0.211 0.000 1.123 26 L CA 0.310 54.943 54.840 -0.344 0.000 0.900 26 L CB -0.241 41.663 42.059 -0.257 0.000 1.146 26 L HN 0.005 nan 8.230 nan 0.000 0.484 27 R N 0.550 120.905 120.500 -0.242 0.000 2.590 27 R HA 0.045 4.385 4.340 0.000 0.000 0.274 27 R C -1.217 175.043 176.300 -0.067 0.000 1.061 27 R CA -1.151 54.863 56.100 -0.144 0.000 1.081 27 R CB 0.167 30.365 30.300 -0.170 0.000 0.984 27 R HN -0.094 nan 8.270 nan 0.000 0.448 28 P HA -0.242 nan 4.420 nan 0.000 0.216 28 P C 0.771 178.076 177.300 0.008 0.000 1.150 28 P CA 1.231 64.330 63.100 -0.001 0.000 0.843 28 P CB 0.131 31.830 31.700 -0.002 0.000 0.787 29 E N -0.702 119.490 120.200 -0.014 0.000 2.333 29 E HA -0.249 4.101 4.350 0.000 0.000 0.198 29 E C 1.676 178.262 176.600 -0.023 0.000 1.007 29 E CA 1.218 57.606 56.400 -0.019 0.000 0.845 29 E CB -1.279 28.404 29.700 -0.029 0.000 0.766 29 E HN 0.379 nan 8.360 nan 0.000 0.507 30 H N 1.334 120.325 119.070 -0.132 0.000 2.489 30 H HA 0.083 4.639 4.556 0.000 0.000 0.293 30 H C 1.990 177.372 175.328 0.089 0.000 1.066 30 H CA 1.667 57.633 56.048 -0.135 0.000 1.305 30 H CB -0.077 29.506 29.762 -0.298 0.000 1.386 30 H HN 0.295 nan 8.280 nan 0.000 0.551 31 A N 0.393 123.265 122.820 0.086 0.000 1.972 31 A HA -0.170 4.150 4.320 0.000 0.000 0.219 31 A C 2.318 179.891 177.584 -0.018 0.000 1.169 31 A CA 1.526 53.611 52.037 0.080 0.000 0.635 31 A CB -0.339 18.701 19.000 0.067 0.000 0.810 31 A HN 0.398 nan 8.150 nan 0.000 0.446 32 R N 0.018 120.496 120.500 -0.037 0.000 2.237 32 R HA -0.037 4.303 4.340 0.000 0.000 0.219 32 R C 1.280 177.538 176.300 -0.069 0.000 1.080 32 R CA 1.041 57.112 56.100 -0.049 0.000 0.995 32 R CB -0.036 30.243 30.300 -0.036 0.000 0.875 32 R HN 0.481 nan 8.270 nan 0.000 0.462 33 E N 0.442 120.583 120.200 -0.098 0.000 2.502 33 E HA -0.016 4.334 4.350 0.000 0.000 0.194 33 E C 0.093 176.659 176.600 -0.057 0.000 1.062 33 E CA 0.247 56.602 56.400 -0.076 0.000 0.867 33 E CB 0.130 29.721 29.700 -0.181 0.000 0.888 33 E HN 0.130 nan 8.360 nan 0.000 0.510 34 R N 1.061 121.454 120.500 -0.178 0.000 2.679 34 R HA 0.039 4.379 4.340 0.000 0.000 0.268 34 R C 0.572 176.760 176.300 -0.186 0.000 1.044 34 R CA -0.496 55.398 56.100 -0.342 0.000 1.105 34 R CB 0.106 30.178 30.300 -0.380 0.000 0.989 34 R HN 0.060 nan 8.270 nan 0.000 0.447 35 L N 2.220 123.335 121.223 -0.181 0.000 2.559 35 L HA -0.113 4.227 4.340 0.000 0.000 0.282 35 L C -0.073 176.747 176.870 -0.082 0.000 1.232 35 L CA 1.227 56.006 54.840 -0.102 0.000 0.885 35 L CB 0.224 42.230 42.059 -0.089 0.000 1.131 35 L HN 0.432 nan 8.230 nan 0.000 0.498 36 Q N 3.357 123.125 119.800 -0.054 0.000 2.425 36 Q HA 0.160 4.500 4.340 0.000 0.000 0.254 36 Q C -0.091 175.891 176.000 -0.030 0.000 1.032 36 Q CA -0.321 55.457 55.803 -0.041 0.000 0.798 36 Q CB 0.935 29.654 28.738 -0.032 0.000 1.210 36 Q HN 0.754 nan 8.270 nan 0.000 0.491 37 D N 1.834 122.216 120.400 -0.029 0.000 2.340 37 D HA -0.112 4.528 4.640 0.000 0.000 0.220 37 D C -0.334 175.958 176.300 -0.014 0.000 1.039 37 D CA 0.128 54.115 54.000 -0.021 0.000 0.866 37 D CB 0.269 41.055 40.800 -0.023 0.000 0.913 37 D HN 0.454 nan 8.370 nan 0.000 0.523 38 D N -0.179 120.212 120.400 -0.014 0.000 2.911 38 D HA -0.225 4.415 4.640 0.000 0.000 0.227 38 D C -0.248 176.047 176.300 -0.009 0.000 1.164 38 D CA 1.111 55.105 54.000 -0.010 0.000 0.782 38 D CB -1.885 38.911 40.800 -0.006 0.000 1.094 38 D HN 0.290 nan 8.370 nan 0.000 0.425 39 S N -2.715 112.978 115.700 -0.011 0.000 3.521 39 S HA -0.218 4.252 4.470 0.000 0.000 0.328 39 S C 0.209 174.805 174.600 -0.007 0.000 1.165 39 S CA 0.875 59.069 58.200 -0.010 0.000 0.941 39 S CB -0.987 62.207 63.200 -0.009 0.000 0.951 39 S HN 0.396 nan 8.310 nan 0.000 0.539 40 V N 1.676 121.586 119.914 -0.007 0.000 2.305 40 V HA 0.287 4.407 4.120 0.000 0.000 0.275 40 V C 0.303 176.395 176.094 -0.004 0.000 1.020 40 V CA -0.538 61.759 62.300 -0.004 0.000 0.811 40 V CB 1.437 33.259 31.823 -0.001 0.000 1.031 40 V HN 0.335 nan 8.190 nan 0.000 0.439 41 E N 3.143 123.340 120.200 -0.004 0.000 2.259 41 E HA 0.591 4.941 4.350 0.000 0.000 0.281 41 E C 0.071 176.671 176.600 0.001 0.000 1.027 41 E CA -0.168 56.230 56.400 -0.004 0.000 0.838 41 E CB 1.923 31.619 29.700 -0.005 0.000 1.066 41 E HN 0.805 nan 8.360 nan 0.000 0.401 42 T N -2.065 112.490 114.554 0.003 0.000 2.841 42 T HA 0.196 4.546 4.350 0.000 0.000 0.296 42 T C 1.021 175.726 174.700 0.008 0.000 1.166 42 T CA -0.813 61.291 62.100 0.007 0.000 1.007 42 T CB 0.966 69.841 68.868 0.011 0.000 1.253 42 T HN 0.097 nan 8.240 nan 0.000 0.511 43 V N 1.230 121.151 119.914 0.012 0.000 2.317 43 V HA -0.221 3.899 4.120 0.000 0.000 0.251 43 V C 2.919 179.023 176.094 0.016 0.000 1.065 43 V CA 2.874 65.183 62.300 0.015 0.000 1.049 43 V CB -1.409 30.425 31.823 0.019 0.000 0.651 43 V HN 1.114 nan 8.190 nan 0.000 0.450 44 T N 0.369 114.934 114.554 0.019 0.000 2.652 44 T HA -0.213 4.137 4.350 0.000 0.000 0.267 44 T C 2.103 176.810 174.700 0.011 0.000 1.039 44 T CA 2.143 64.255 62.100 0.020 0.000 1.153 44 T CB -0.424 68.459 68.868 0.025 0.000 0.863 44 T HN 0.762 nan 8.240 nan 0.000 0.428 45 S N 1.363 117.066 115.700 0.005 0.000 2.383 45 S HA -0.018 4.452 4.470 0.000 0.000 0.227 45 S C 2.122 176.716 174.600 -0.009 0.000 1.026 45 S CA 0.773 58.969 58.200 -0.005 0.000 0.981 45 S CB -0.817 62.378 63.200 -0.008 0.000 0.818 45 S HN 0.484 nan 8.310 nan 0.000 0.472 46 I N 1.949 122.516 120.570 -0.005 0.000 2.163 46 I HA -0.150 4.020 4.170 0.000 0.000 0.243 46 I C 2.879 178.994 176.117 -0.004 0.000 1.085 46 I CA 1.540 62.837 61.300 -0.006 0.000 1.347 46 I CB -0.369 37.630 38.000 -0.001 0.000 1.044 46 I HN 0.256 nan 8.210 nan 0.000 0.408 47 E N 0.257 120.459 120.200 0.005 0.000 2.106 47 E HA -0.254 4.096 4.350 0.000 0.000 0.192 47 E C 2.023 178.628 176.600 0.008 0.000 0.984 47 E CA 1.050 57.456 56.400 0.010 0.000 0.806 47 E CB -0.331 29.381 29.700 0.020 0.000 0.750 47 E HN 0.411 nan 8.360 nan 0.000 0.458 48 Q N 1.025 120.827 119.800 0.003 0.000 2.050 48 Q HA -0.048 4.292 4.340 0.000 0.000 0.202 48 Q C 1.997 177.985 176.000 -0.019 0.000 0.980 48 Q CA 2.074 57.876 55.803 -0.002 0.000 0.840 48 Q CB -0.545 28.188 28.738 -0.008 0.000 0.898 48 Q HN 0.196 nan 8.270 nan 0.000 0.424 49 A N 0.436 123.237 122.820 -0.032 0.000 1.933 49 A HA -0.211 4.109 4.320 0.000 0.000 0.218 49 A C 2.012 179.570 177.584 -0.043 0.000 1.175 49 A CA 1.739 53.743 52.037 -0.055 0.000 0.628 49 A CB -0.468 18.502 19.000 -0.051 0.000 0.814 49 A HN 0.413 nan 8.150 nan 0.000 0.444 50 K N -0.544 119.844 120.400 -0.021 0.000 2.057 50 K HA -0.077 4.243 4.320 0.000 0.000 0.207 50 K C 1.879 178.478 176.600 -0.002 0.000 1.049 50 K CA 1.455 57.736 56.287 -0.011 0.000 0.931 50 K CB -0.354 32.144 32.500 -0.002 0.000 0.714 50 K HN 0.309 nan 8.250 nan 0.000 0.440 51 V N 1.762 121.681 119.914 0.009 0.000 2.358 51 V HA -0.228 3.892 4.120 0.000 0.000 0.246 51 V C 2.013 178.133 176.094 0.043 0.000 1.047 51 V CA 1.731 64.050 62.300 0.030 0.000 1.035 51 V CB -0.386 31.464 31.823 0.045 0.000 0.658 51 V HN 0.331 nan 8.190 nan 0.000 0.452 52 E N -0.182 120.029 120.200 0.018 0.000 2.077 52 E HA -0.285 4.065 4.350 0.000 0.000 0.193 52 E C 2.263 178.851 176.600 -0.020 0.000 0.989 52 E CA 1.476 57.873 56.400 -0.005 0.000 0.800 52 E CB -0.100 29.464 29.700 -0.227 0.000 0.746 52 E HN 0.718 nan 8.360 nan 0.000 0.452 53 E N 1.343 121.516 120.200 -0.045 0.000 2.077 53 E HA -0.233 4.117 4.350 0.000 0.000 0.193 53 E C 2.076 178.686 176.600 0.016 0.000 0.989 53 E CA 1.151 57.539 56.400 -0.019 0.000 0.800 53 E CB 0.091 29.777 29.700 -0.023 0.000 0.746 53 E HN 0.008 nan 8.360 nan 0.000 0.452 54 K N 0.130 120.535 120.400 0.009 0.000 2.057 54 K HA -0.125 4.195 4.320 0.000 0.000 0.207 54 K C 2.083 178.664 176.600 -0.031 0.000 1.049 54 K CA 1.236 57.522 56.287 -0.002 0.000 0.931 54 K CB 0.005 32.505 32.500 -0.002 0.000 0.714 54 K HN 0.182 nan 8.250 nan 0.000 0.440 55 I N 1.310 121.859 120.570 -0.035 0.000 2.252 55 I HA -0.221 3.949 4.170 0.000 0.000 0.245 55 I C 2.450 178.363 176.117 -0.339 0.000 1.102 55 I CA 1.304 62.469 61.300 -0.225 0.000 1.385 55 I CB -1.131 36.774 38.000 -0.157 0.000 1.064 55 I HN 0.308 nan 8.210 nan 0.000 0.414 56 Q N 1.488 121.327 119.800 0.065 0.000 2.124 56 Q HA -0.211 4.129 4.340 0.000 0.000 0.202 56 Q C 2.033 178.106 176.000 0.121 0.000 0.977 56 Q CA 1.750 57.699 55.803 0.243 0.000 0.850 56 Q CB -0.137 28.771 28.738 0.283 0.000 0.901 56 Q HN 0.495 nan 8.270 nan 0.000 0.429 57 E N -1.084 119.155 120.200 0.066 0.000 2.110 57 E HA -0.152 4.198 4.350 0.000 0.000 0.193 57 E C 1.943 178.543 176.600 0.000 0.000 0.988 57 E CA 1.378 57.822 56.400 0.073 0.000 0.804 57 E CB 0.020 29.755 29.700 0.058 0.000 0.745 57 E HN 0.205 nan 8.360 nan 0.000 0.458 58 V N 0.779 120.652 119.914 -0.068 0.000 2.307 58 V HA -0.237 3.883 4.120 0.000 0.000 0.245 58 V C 1.984 178.095 176.094 0.028 0.000 1.045 58 V CA 1.685 63.932 62.300 -0.089 0.000 1.024 58 V CB -0.576 31.165 31.823 -0.136 0.000 0.651 58 V HN 0.289 nan 8.190 nan 0.000 0.449 59 F N 0.239 120.195 119.950 0.010 0.000 2.171 59 F HA -0.176 4.351 4.527 0.000 0.000 0.300 59 F C 2.570 178.362 175.800 -0.014 0.000 1.090 59 F CA 1.205 59.223 58.000 0.030 0.000 1.293 59 F CB -0.209 38.795 39.000 0.006 0.000 1.013 59 F HN 0.128 nan 8.300 nan 0.000 0.486 60 S N -0.413 115.306 115.700 0.032 0.000 2.527 60 S HA -0.111 4.359 4.470 0.000 0.000 0.222 60 S C 2.057 176.350 174.600 -0.511 0.000 0.985 60 S CA 0.771 58.758 58.200 -0.356 0.000 0.921 60 S CB -0.258 62.555 63.200 -0.644 0.000 0.772 60 S HN 0.436 nan 8.310 nan 0.000 0.529 61 S N 1.383 116.903 115.700 -0.300 0.000 2.374 61 S HA -0.251 4.219 4.470 0.000 0.000 0.227 61 S C 1.581 175.984 174.600 -0.328 0.000 1.037 61 S CA 1.340 59.360 58.200 -0.299 0.000 1.024 61 S CB -0.961 62.019 63.200 -0.367 0.000 0.861 61 S HN 0.616 nan 8.310 nan 0.000 0.456 62 Y N 2.158 122.389 120.300 -0.116 0.000 2.145 62 Y HA -0.030 4.520 4.550 0.000 0.000 0.286 62 Y C 2.783 178.598 175.900 -0.141 0.000 1.145 62 Y CA 1.478 59.520 58.100 -0.097 0.000 1.148 62 Y CB -0.446 37.969 38.460 -0.074 0.000 0.981 62 Y HN 0.239 nan 8.280 nan 0.000 0.507 63 K N 0.049 120.404 120.400 -0.075 0.000 2.032 63 K HA -0.180 4.140 4.320 0.000 0.000 0.209 63 K C 1.676 178.165 176.600 -0.185 0.000 1.048 63 K CA 1.824 58.023 56.287 -0.147 0.000 0.927 63 K CB -0.348 31.993 32.500 -0.265 0.000 0.712 63 K HN 0.204 nan 8.250 nan 0.000 0.441 64 F N 1.141 120.978 119.950 -0.189 0.000 2.325 64 F HA -0.030 4.497 4.527 0.000 0.000 0.299 64 F C 1.487 176.982 175.800 -0.507 0.000 1.090 64 F CA 0.967 58.791 58.000 -0.293 0.000 1.392 64 F CB -0.702 38.215 39.000 -0.138 0.000 1.053 64 F HN 0.168 nan 8.300 nan 0.000 0.521 65 N N -1.740 116.834 118.700 -0.211 0.000 2.336 65 N HA 0.006 4.746 4.740 0.000 0.000 0.189 65 N C -0.684 174.765 175.510 -0.102 0.000 1.113 65 N CA 0.083 53.045 53.050 -0.147 0.000 0.858 65 N CB -0.428 38.031 38.487 -0.046 0.000 0.970 65 N HN 0.251 nan 8.380 nan 0.000 0.471 66 H N -0.518 118.609 119.070 0.094 0.000 2.748 66 H HA -0.133 4.423 4.556 0.000 0.000 0.322 66 H C -0.999 174.371 175.328 0.069 0.000 1.208 66 H CA 0.294 56.388 56.048 0.077 0.000 1.151 66 H CB -1.988 27.813 29.762 0.064 0.000 1.505 66 H HN 0.222 nan 8.280 nan 0.000 0.429 67 L N -0.333 120.969 121.223 0.131 0.000 2.354 67 L HA 0.578 4.918 4.340 0.000 0.000 0.264 67 L C 0.192 177.132 176.870 0.115 0.000 1.008 67 L CA -1.544 53.372 54.840 0.126 0.000 0.819 67 L CB 2.103 44.247 42.059 0.141 0.000 1.339 67 L HN -0.036 nan 8.230 nan 0.000 0.420 68 V N 2.342 122.294 119.914 0.065 0.000 2.508 68 V HA 0.160 4.280 4.120 0.000 0.000 0.281 68 V C -1.921 174.132 176.094 -0.068 0.000 1.041 68 V CA -1.265 61.033 62.300 -0.003 0.000 1.016 68 V CB 0.639 32.453 31.823 -0.015 0.000 0.984 68 V HN 0.600 nan 8.190 nan 0.000 0.478 69 P HA 0.190 nan 4.420 nan 0.000 0.262 69 P C -0.440 176.645 177.300 -0.359 0.000 1.182 69 P CA 0.098 62.780 63.100 -0.698 0.000 0.761 69 P CB 0.322 31.503 31.700 -0.865 0.000 0.795 70 R N 3.026 123.370 120.500 -0.261 0.000 2.473 70 R HA 0.389 4.729 4.340 0.000 0.000 0.303 70 R C -1.404 174.860 176.300 -0.061 0.000 1.002 70 R CA -0.833 55.205 56.100 -0.104 0.000 0.884 70 R CB 0.644 30.931 30.300 -0.022 0.000 1.173 70 R HN 0.279 nan 8.270 nan 0.000 0.464 71 L N 5.220 126.402 121.223 -0.067 0.000 2.270 71 L HA 0.367 4.707 4.340 0.000 0.000 0.286 71 L C -0.834 176.035 176.870 -0.003 0.000 1.059 71 L CA -0.241 54.584 54.840 -0.024 0.000 0.839 71 L CB 1.610 43.645 42.059 -0.041 0.000 1.221 71 L HN 0.296 nan 8.230 nan 0.000 0.431 72 V N 4.389 124.313 119.914 0.017 0.000 2.487 72 V HA 0.379 4.499 4.120 0.000 0.000 0.298 72 V C -0.201 175.911 176.094 0.029 0.000 1.028 72 V CA -0.883 61.425 62.300 0.015 0.000 0.860 72 V CB 2.012 33.839 31.823 0.006 0.000 0.991 72 V HN 0.439 nan 8.190 nan 0.000 0.427 73 L N 4.982 126.229 121.223 0.040 0.000 2.313 73 L HA 0.358 4.698 4.340 0.000 0.000 0.282 73 L C 0.759 177.644 176.870 0.026 0.000 1.092 73 L CA 0.444 55.335 54.840 0.085 0.000 0.831 73 L CB 0.888 43.007 42.059 0.100 0.000 1.159 73 L HN 0.614 nan 8.230 nan 0.000 0.442 74 Q N 5.565 125.316 119.800 -0.082 0.000 3.223 74 Q HA 0.061 4.401 4.340 0.000 0.000 0.299 74 Q C 1.087 176.848 176.000 -0.398 0.000 1.385 74 Q CA 0.168 55.787 55.803 -0.306 0.000 0.942 74 Q CB -0.229 28.271 28.738 -0.398 0.000 1.748 74 Q HN 0.724 nan 8.270 nan 0.000 0.523 75 R N 0.603 121.057 120.500 -0.077 0.000 2.113 75 R HA -0.205 4.135 4.340 0.000 0.000 0.244 75 R C 1.449 177.800 176.300 0.085 0.000 1.142 75 R CA 1.469 57.601 56.100 0.053 0.000 0.953 75 R CB 0.161 30.486 30.300 0.041 0.000 0.860 75 R HN 0.366 nan 8.270 nan 0.000 0.438 76 E N 0.668 120.889 120.200 0.036 0.000 2.106 76 E HA -0.120 4.230 4.350 0.000 0.000 0.192 76 E C 1.847 178.542 176.600 0.158 0.000 0.984 76 E CA 0.913 57.385 56.400 0.120 0.000 0.806 76 E CB -0.116 29.618 29.700 0.057 0.000 0.750 76 E HN 0.261 nan 8.360 nan 0.000 0.458 77 K N 0.427 120.829 120.400 0.003 0.000 2.025 77 K HA -0.105 4.215 4.320 0.000 0.000 0.207 77 K C 2.049 178.733 176.600 0.140 0.000 1.049 77 K CA 0.968 57.257 56.287 0.004 0.000 0.933 77 K CB -0.385 32.021 32.500 -0.157 0.000 0.714 77 K HN 0.291 nan 8.250 nan 0.000 0.438 78 H N -0.220 118.952 119.070 0.170 0.000 2.353 78 H HA -0.118 4.438 4.556 0.000 0.000 0.300 78 H C 1.994 177.476 175.328 0.256 0.000 1.090 78 H CA 1.055 57.223 56.048 0.201 0.000 1.327 78 H CB -0.718 29.127 29.762 0.138 0.000 1.383 78 H HN 0.157 nan 8.280 nan 0.000 0.508 79 F N 1.659 121.740 119.950 0.220 0.000 2.102 79 F HA -0.236 4.291 4.527 0.000 0.000 0.298 79 F C 2.903 178.795 175.800 0.153 0.000 1.105 79 F CA 1.895 59.983 58.000 0.147 0.000 1.239 79 F CB -0.510 38.546 39.000 0.094 0.000 0.991 79 F HN 0.242 nan 8.300 nan 0.000 0.474 80 H N -1.058 118.018 119.070 0.010 0.000 2.319 80 H HA -0.281 4.275 4.556 0.000 0.000 0.299 80 H C 2.257 177.575 175.328 -0.017 0.000 1.092 80 H CA 2.291 58.294 56.048 -0.075 0.000 1.302 80 H CB -1.144 28.652 29.762 0.058 0.000 1.373 80 H HN 0.434 nan 8.280 nan 0.000 0.497 81 Y N 1.446 121.706 120.300 -0.066 0.000 2.114 81 Y HA -0.236 4.314 4.550 0.000 0.000 0.282 81 Y C 2.641 178.564 175.900 0.038 0.000 1.165 81 Y CA 1.922 60.012 58.100 -0.017 0.000 1.148 81 Y CB -0.724 37.795 38.460 0.100 0.000 0.972 81 Y HN 0.170 nan 8.280 nan 0.000 0.504 82 L N 0.128 121.322 121.223 -0.048 0.000 2.044 82 L HA -0.188 4.152 4.340 0.000 0.000 0.205 82 L C 2.504 179.169 176.870 -0.342 0.000 1.075 82 L CA 1.872 56.615 54.840 -0.160 0.000 0.747 82 L CB -0.676 41.358 42.059 -0.042 0.000 0.903 82 L HN 0.166 nan 8.230 nan 0.000 0.435 83 K N 0.245 120.346 120.400 -0.499 0.000 2.147 83 K HA -0.213 4.107 4.320 0.000 0.000 0.205 83 K C 2.108 178.475 176.600 -0.389 0.000 1.049 83 K CA 1.376 57.356 56.287 -0.512 0.000 0.936 83 K CB -0.341 31.682 32.500 -0.794 0.000 0.722 83 K HN 0.022 nan 8.250 nan 0.000 0.446 84 R N 0.482 120.738 120.500 -0.408 0.000 2.062 84 R HA 0.025 4.365 4.340 0.000 0.000 0.231 84 R C 2.578 178.699 176.300 -0.298 0.000 1.136 84 R CA 1.753 57.658 56.100 -0.325 0.000 0.948 84 R CB -0.946 29.137 30.300 -0.363 0.000 0.845 84 R HN 0.462 nan 8.270 nan 0.000 0.430 85 G N 0.754 109.344 108.800 -0.350 0.000 2.462 85 G HA2 -0.263 3.697 3.960 0.000 0.000 0.220 85 G HA3 -0.263 3.697 3.960 0.000 0.000 0.220 85 G C 1.233 175.777 174.900 -0.594 0.000 1.121 85 G CA 0.703 45.480 45.100 -0.537 0.000 0.758 85 G HN 0.289 nan 8.290 nan 0.000 0.559 86 L N -0.062 120.872 121.223 -0.482 0.000 2.191 86 L HA 0.092 4.432 4.340 0.000 0.000 0.212 86 L C 2.577 179.254 176.870 -0.322 0.000 1.103 86 L CA 1.447 56.055 54.840 -0.388 0.000 0.769 86 L CB -0.125 41.755 42.059 -0.299 0.000 0.908 86 L HN 0.048 nan 8.230 nan 0.000 0.438 87 R N -1.286 119.044 120.500 -0.283 0.000 2.142 87 R HA 0.281 4.621 4.340 0.000 0.000 0.204 87 R C 0.402 176.569 176.300 -0.222 0.000 1.059 87 R CA 0.295 56.257 56.100 -0.229 0.000 1.055 87 R CB 0.075 30.272 30.300 -0.173 0.000 0.976 87 R HN 0.395 nan 8.270 nan 0.000 0.483 88 Q N 0.033 119.706 119.800 -0.212 0.000 2.340 88 Q HA 0.541 4.881 4.340 0.000 0.000 0.276 88 Q C -1.733 174.180 176.000 -0.144 0.000 1.048 88 Q CA -0.441 55.267 55.803 -0.158 0.000 0.832 88 Q CB 2.316 30.993 28.738 -0.102 0.000 1.373 88 Q HN -0.019 nan 8.270 nan 0.000 0.409 89 L N 1.060 122.226 121.223 -0.094 0.000 2.371 89 L HA 0.610 4.950 4.340 0.000 0.000 0.262 89 L C 0.224 177.146 176.870 0.087 0.000 1.006 89 L CA -0.884 53.942 54.840 -0.024 0.000 0.818 89 L CB 2.244 44.238 42.059 -0.108 0.000 1.354 89 L HN 0.767 nan 8.230 nan 0.000 0.415 90 T N -3.704 110.962 114.554 0.186 0.000 2.754 90 T HA 0.081 4.431 4.350 0.000 0.000 0.286 90 T C 0.741 175.558 174.700 0.194 0.000 0.997 90 T CA -0.187 62.014 62.100 0.169 0.000 0.982 90 T CB 0.655 69.622 68.868 0.166 0.000 1.027 90 T HN 0.744 nan 8.240 nan 0.000 0.529 91 D N -0.283 120.194 120.400 0.128 0.000 2.384 91 D HA -0.009 4.631 4.640 0.000 0.000 0.222 91 D C 1.876 178.234 176.300 0.096 0.000 0.976 91 D CA 0.879 54.942 54.000 0.105 0.000 0.915 91 D CB -0.701 40.140 40.800 0.068 0.000 0.896 91 D HN 0.662 nan 8.370 nan 0.000 0.523 92 A N -0.383 122.498 122.820 0.103 0.000 2.067 92 A HA -0.107 4.213 4.320 0.000 0.000 0.219 92 A C 1.322 178.839 177.584 -0.111 0.000 1.158 92 A CA 0.559 52.595 52.037 -0.001 0.000 0.661 92 A CB -0.908 18.087 19.000 -0.009 0.000 0.801 92 A HN 0.339 nan 8.150 nan 0.000 0.452 93 Y N 0.203 120.570 120.300 0.111 0.000 2.470 93 Y HA 0.103 4.653 4.550 0.000 0.000 0.284 93 Y C 1.893 177.858 175.900 0.108 0.000 1.188 93 Y CA 0.249 58.429 58.100 0.135 0.000 1.269 93 Y CB -0.050 38.509 38.460 0.165 0.000 1.094 93 Y HN 0.450 nan 8.280 nan 0.000 0.518 94 E N -0.433 119.853 120.200 0.143 0.000 2.153 94 E HA -0.240 4.110 4.350 0.000 0.000 0.194 94 E C 2.125 178.784 176.600 0.097 0.000 0.988 94 E CA 1.487 57.952 56.400 0.108 0.000 0.811 94 E CB -0.237 29.505 29.700 0.070 0.000 0.746 94 E HN 0.659 nan 8.360 nan 0.000 0.466 95 C N -0.452 118.893 119.300 0.075 0.000 2.449 95 C HA 0.040 4.500 4.460 0.000 0.000 0.283 95 C C 1.807 176.869 174.990 0.120 0.000 1.453 95 C CA -0.022 59.038 59.018 0.069 0.000 1.779 95 C CB -0.973 26.782 27.740 0.025 0.000 1.779 95 C HN 0.224 nan 8.230 nan 0.000 0.546 96 L N 0.678 122.014 121.223 0.189 0.000 2.910 96 L HA 0.235 4.575 4.340 0.000 0.000 0.252 96 L C 1.659 178.657 176.870 0.214 0.000 1.195 96 L CA 0.227 55.223 54.840 0.259 0.000 1.003 96 L CB -0.309 42.016 42.059 0.444 0.000 1.328 96 L HN 0.162 nan 8.230 nan 0.000 0.540 97 D N 1.444 121.938 120.400 0.157 0.000 2.263 97 D HA -0.139 4.501 4.640 0.000 0.000 0.208 97 D C 1.693 178.057 176.300 0.106 0.000 0.971 97 D CA 1.115 55.189 54.000 0.123 0.000 0.867 97 D CB 0.458 41.313 40.800 0.092 0.000 0.929 97 D HN 0.279 nan 8.370 nan 0.000 0.492 98 A N -0.973 121.907 122.820 0.100 0.000 2.545 98 A HA 0.408 4.728 4.320 0.000 0.000 0.277 98 A C 0.905 178.552 177.584 0.104 0.000 1.301 98 A CA -0.268 51.813 52.037 0.073 0.000 0.935 98 A CB 0.401 19.425 19.000 0.040 0.000 1.093 98 A HN 0.043 nan 8.150 nan 0.000 0.519 99 S N -0.823 114.971 115.700 0.157 0.000 2.977 99 S HA 0.171 4.641 4.470 0.000 0.000 0.250 99 S C 1.254 175.951 174.600 0.161 0.000 1.005 99 S CA -0.465 57.870 58.200 0.225 0.000 1.081 99 S CB 0.014 63.396 63.200 0.303 0.000 1.018 99 S HN 0.609 nan 8.310 nan 0.000 0.539 100 R N 1.920 122.506 120.500 0.143 0.000 2.096 100 R HA -0.050 4.290 4.340 0.000 0.000 0.235 100 R C -1.102 175.271 176.300 0.122 0.000 1.127 100 R CA 1.458 57.659 56.100 0.168 0.000 0.968 100 R CB -1.276 29.217 30.300 0.323 0.000 0.861 100 R HN 0.300 nan 8.270 nan 0.000 0.440 101 P HA -0.153 nan 4.420 nan 0.000 0.220 101 P C 0.415 177.567 177.300 -0.248 0.000 1.148 101 P CA 1.031 64.045 63.100 -0.142 0.000 0.803 101 P CB -0.092 31.429 31.700 -0.297 0.000 0.782 102 W N -0.477 120.626 121.300 -0.328 0.000 2.358 102 W HA -0.093 4.567 4.660 0.000 0.000 0.303 102 W C 2.124 178.062 176.519 -0.969 0.000 1.208 102 W CA 0.373 57.245 57.345 -0.788 0.000 1.274 102 W CB -0.850 27.953 29.460 -1.096 0.000 1.138 102 W HN -0.140 nan 8.180 nan 0.000 0.515 103 L N -0.971 120.087 121.223 -0.274 0.000 2.046 103 L HA -0.282 4.058 4.340 0.000 0.000 0.208 103 L C 2.404 179.194 176.870 -0.134 0.000 1.077 103 L CA 1.089 55.878 54.840 -0.084 0.000 0.747 103 L CB -1.034 40.982 42.059 -0.070 0.000 0.896 103 L HN 0.087 nan 8.230 nan 0.000 0.432 104 C N -1.286 117.940 119.300 -0.123 0.000 2.413 104 C HA -0.243 4.217 4.460 0.000 0.000 0.277 104 C C 2.746 177.690 174.990 -0.077 0.000 1.228 104 C CA 0.802 59.756 59.018 -0.106 0.000 1.731 104 C CB -0.833 26.877 27.740 -0.050 0.000 2.042 104 C HN 0.563 nan 8.230 nan 0.000 0.468 105 Y N 0.644 120.841 120.300 -0.172 0.000 2.114 105 Y HA -0.200 4.350 4.550 0.000 0.000 0.284 105 Y C 2.345 178.296 175.900 0.085 0.000 1.143 105 Y CA 1.569 59.604 58.100 -0.108 0.000 1.135 105 Y CB -0.697 37.644 38.460 -0.198 0.000 0.980 105 Y HN 0.385 nan 8.280 nan 0.000 0.499 106 W N 0.564 121.769 121.300 -0.158 0.000 2.335 106 W HA -0.233 4.427 4.660 0.000 0.000 0.311 106 W C 2.466 178.824 176.519 -0.267 0.000 1.213 106 W CA 1.567 58.755 57.345 -0.261 0.000 1.274 106 W CB -1.309 28.190 29.460 0.065 0.000 1.148 106 W HN 0.207 nan 8.180 nan 0.000 0.498 107 I N -0.685 119.881 120.570 -0.007 0.000 2.193 107 I HA -0.279 3.891 4.170 0.000 0.000 0.240 107 I C 2.372 178.414 176.117 -0.125 0.000 1.084 107 I CA 0.731 61.955 61.300 -0.126 0.000 1.365 107 I CB -0.925 36.880 38.000 -0.325 0.000 1.064 107 I HN -0.194 nan 8.210 nan 0.000 0.410 108 L N 0.383 121.531 121.223 -0.126 0.000 2.042 108 L HA -0.277 4.063 4.340 0.000 0.000 0.210 108 L C 2.627 179.456 176.870 -0.067 0.000 1.076 108 L CA 1.991 56.780 54.840 -0.086 0.000 0.749 108 L CB -1.527 40.494 42.059 -0.064 0.000 0.893 108 L HN 0.339 nan 8.230 nan 0.000 0.432 109 H N -1.134 117.776 119.070 -0.267 0.000 2.395 109 H HA -0.040 4.516 4.556 0.000 0.000 0.299 109 H C 2.281 177.490 175.328 -0.198 0.000 1.070 109 H CA 1.608 57.488 56.048 -0.280 0.000 1.356 109 H CB 0.223 29.642 29.762 -0.572 0.000 1.401 109 H HN 0.207 nan 8.280 nan 0.000 0.524 110 S N 0.001 115.532 115.700 -0.281 0.000 2.368 110 S HA -0.100 4.370 4.470 0.000 0.000 0.225 110 S C 2.291 176.810 174.600 -0.134 0.000 1.030 110 S CA 1.226 59.279 58.200 -0.245 0.000 0.999 110 S CB -0.260 62.872 63.200 -0.113 0.000 0.844 110 S HN 0.361 nan 8.310 nan 0.000 0.459 111 L N 1.252 122.436 121.223 -0.066 0.000 2.093 111 L HA -0.107 4.233 4.340 0.000 0.000 0.208 111 L C 2.733 179.598 176.870 -0.008 0.000 1.085 111 L CA 1.332 56.184 54.840 0.021 0.000 0.755 111 L CB -0.474 41.609 42.059 0.040 0.000 0.904 111 L HN 0.417 nan 8.230 nan 0.000 0.435 112 E N 0.827 120.992 120.200 -0.058 0.000 2.072 112 E HA -0.214 4.136 4.350 0.000 0.000 0.191 112 E C 2.326 178.882 176.600 -0.073 0.000 0.985 112 E CA 1.017 57.392 56.400 -0.041 0.000 0.801 112 E CB -0.033 29.672 29.700 0.009 0.000 0.750 112 E HN 0.471 nan 8.360 nan 0.000 0.452 113 L N 0.592 121.705 121.223 -0.183 0.000 2.141 113 L HA -0.124 4.216 4.340 0.000 0.000 0.209 113 L C 2.245 179.085 176.870 -0.050 0.000 1.094 113 L CA 0.684 55.435 54.840 -0.149 0.000 0.763 113 L CB -0.107 41.791 42.059 -0.269 0.000 0.908 113 L HN 0.221 nan 8.230 nan 0.000 0.437 114 L N -0.646 120.558 121.223 -0.032 0.000 2.612 114 L HA 0.002 4.342 4.340 0.000 0.000 0.230 114 L C 0.436 177.307 176.870 0.002 0.000 1.140 114 L CA -0.040 54.809 54.840 0.016 0.000 0.896 114 L CB -0.340 41.762 42.059 0.071 0.000 1.065 114 L HN 0.229 nan 8.230 nan 0.000 0.447 115 D N 0.937 121.333 120.400 -0.007 0.000 2.837 115 D HA -0.173 4.467 4.640 0.000 0.000 0.230 115 D C 0.022 176.306 176.300 -0.028 0.000 1.152 115 D CA 0.666 54.658 54.000 -0.014 0.000 0.736 115 D CB -0.309 40.482 40.800 -0.015 0.000 1.084 115 D HN 0.266 nan 8.370 nan 0.000 0.429 116 E N 0.911 121.107 120.200 -0.007 0.000 2.167 116 E HA 0.384 4.734 4.350 0.000 0.000 0.284 116 E C -1.835 174.781 176.600 0.026 0.000 1.016 116 E CA -1.500 54.900 56.400 0.001 0.000 0.817 116 E CB 1.034 30.807 29.700 0.121 0.000 1.080 116 E HN 0.304 nan 8.360 nan 0.000 0.397 117 P HA 0.321 nan 4.420 nan 0.000 0.276 117 P C -0.230 177.087 177.300 0.028 0.000 1.244 117 P CA -0.473 62.633 63.100 0.010 0.000 0.801 117 P CB 0.865 32.561 31.700 -0.007 0.000 1.006 118 I N 2.211 122.784 120.570 0.005 0.000 2.307 118 I HA 0.263 4.433 4.170 0.000 0.000 0.289 118 I C -2.001 174.109 176.117 -0.011 0.000 1.021 118 I CA -2.196 59.101 61.300 -0.004 0.000 1.224 118 I CB 0.513 38.498 38.000 -0.026 0.000 1.376 118 I HN 0.148 nan 8.210 nan 0.000 0.470 119 P HA 0.065 nan 4.420 nan 0.000 0.266 119 P C 0.348 177.634 177.300 -0.024 0.000 1.195 119 P CA -0.212 62.882 63.100 -0.010 0.000 0.768 119 P CB 0.568 32.266 31.700 -0.003 0.000 0.838 120 Q N 1.318 121.103 119.800 -0.026 0.000 2.197 120 Q HA -0.206 4.134 4.340 0.000 0.000 0.207 120 Q C 1.680 177.660 176.000 -0.033 0.000 0.984 120 Q CA 1.178 56.961 55.803 -0.034 0.000 0.869 120 Q CB -0.436 28.283 28.738 -0.032 0.000 0.906 120 Q HN 0.453 nan 8.270 nan 0.000 0.426 121 I N -0.209 120.345 120.570 -0.027 0.000 2.315 121 I HA -0.201 3.969 4.170 0.000 0.000 0.248 121 I C 1.892 177.989 176.117 -0.033 0.000 1.117 121 I CA 0.974 62.258 61.300 -0.027 0.000 1.404 121 I CB -0.008 37.978 38.000 -0.022 0.000 1.071 121 I HN -0.077 nan 8.210 nan 0.000 0.419 122 V N 1.129 121.021 119.914 -0.037 0.000 2.270 122 V HA -0.232 3.888 4.120 0.000 0.000 0.245 122 V C 2.770 178.834 176.094 -0.049 0.000 1.043 122 V CA 1.694 63.965 62.300 -0.049 0.000 1.014 122 V CB -1.568 30.224 31.823 -0.052 0.000 0.645 122 V HN 0.538 nan 8.190 nan 0.000 0.447 123 A N -0.414 122.376 122.820 -0.049 0.000 1.884 123 A HA -0.347 3.973 4.320 0.000 0.000 0.219 123 A C 2.477 180.031 177.584 -0.049 0.000 1.197 123 A CA 2.993 54.995 52.037 -0.057 0.000 0.637 123 A CB -1.231 17.729 19.000 -0.066 0.000 0.827 123 A HN 0.478 nan 8.150 nan 0.000 0.450 124 T N -0.840 113.689 114.554 -0.041 0.000 2.746 124 T HA -0.148 4.202 4.350 0.000 0.000 0.267 124 T C 1.550 176.243 174.700 -0.011 0.000 1.039 124 T CA 1.846 63.929 62.100 -0.028 0.000 1.142 124 T CB -0.582 68.270 68.868 -0.026 0.000 0.866 124 T HN 0.502 nan 8.240 nan 0.000 0.444 125 D N 0.572 120.963 120.400 -0.015 0.000 2.144 125 D HA -0.048 4.592 4.640 0.000 0.000 0.200 125 D C 2.251 178.569 176.300 0.031 0.000 0.978 125 D CA 0.797 54.796 54.000 -0.001 0.000 0.833 125 D CB -0.475 40.307 40.800 -0.030 0.000 0.961 125 D HN 0.331 nan 8.370 nan 0.000 0.470 126 V N 0.968 120.887 119.914 0.008 0.000 2.295 126 V HA -0.274 3.846 4.120 0.000 0.000 0.246 126 V C 2.785 178.918 176.094 0.065 0.000 1.049 126 V CA 1.305 63.629 62.300 0.040 0.000 1.024 126 V CB -0.730 31.083 31.823 -0.017 0.000 0.648 126 V HN 0.273 nan 8.190 nan 0.000 0.447 127 C N -0.276 119.033 119.300 0.015 0.000 2.393 127 C HA -0.260 4.200 4.460 0.000 0.000 0.276 127 C C 2.910 177.921 174.990 0.036 0.000 1.215 127 C CA 1.480 60.504 59.018 0.009 0.000 1.743 127 C CB -1.212 26.520 27.740 -0.014 0.000 2.044 127 C HN 0.615 nan 8.230 nan 0.000 0.464 128 Q N -0.765 119.063 119.800 0.048 0.000 2.124 128 Q HA -0.185 4.155 4.340 0.000 0.000 0.202 128 Q C 2.011 178.058 176.000 0.079 0.000 0.977 128 Q CA 1.698 57.532 55.803 0.053 0.000 0.850 128 Q CB -0.361 28.407 28.738 0.049 0.000 0.901 128 Q HN 0.784 nan 8.270 nan 0.000 0.429 129 F N 1.033 120.971 119.950 -0.019 0.000 2.146 129 F HA -0.128 4.399 4.527 0.000 0.000 0.298 129 F C 1.617 177.420 175.800 0.005 0.000 1.096 129 F CA 1.153 59.142 58.000 -0.019 0.000 1.275 129 F CB -0.103 38.871 39.000 -0.043 0.000 1.008 129 F HN -0.050 nan 8.300 nan 0.000 0.480 130 L N 0.078 121.213 121.223 -0.147 0.000 2.191 130 L HA -0.177 4.163 4.340 0.000 0.000 0.212 130 L C 2.343 179.232 176.870 0.030 0.000 1.103 130 L CA 1.353 56.100 54.840 -0.156 0.000 0.769 130 L CB -0.785 41.206 42.059 -0.114 0.000 0.908 130 L HN 0.207 nan 8.230 nan 0.000 0.438 131 E N 0.352 120.559 120.200 0.012 0.000 2.077 131 E HA -0.216 4.134 4.350 0.000 0.000 0.193 131 E C 2.311 178.866 176.600 -0.074 0.000 0.989 131 E CA 1.118 57.520 56.400 0.004 0.000 0.800 131 E CB -0.124 29.577 29.700 0.001 0.000 0.746 131 E HN 0.495 nan 8.360 nan 0.000 0.452 132 L N 0.133 121.276 121.223 -0.132 0.000 2.201 132 L HA -0.166 4.174 4.340 0.000 0.000 0.212 132 L C 2.422 179.173 176.870 -0.198 0.000 1.105 132 L CA 0.503 55.251 54.840 -0.153 0.000 0.775 132 L CB -0.237 41.739 42.059 -0.139 0.000 0.913 132 L HN 0.282 nan 8.230 nan 0.000 0.440 133 C N -0.976 118.162 119.300 -0.269 0.000 2.468 133 C HA -0.068 4.392 4.460 0.000 0.000 0.277 133 C C 1.597 176.531 174.990 -0.092 0.000 1.400 133 C CA -0.373 58.532 59.018 -0.188 0.000 1.770 133 C CB -0.798 26.801 27.740 -0.236 0.000 1.905 133 C HN 0.416 nan 8.230 nan 0.000 0.519 134 Q N 1.640 121.341 119.800 -0.165 0.000 2.311 134 Q HA 0.136 4.476 4.340 0.000 0.000 0.272 134 Q C 0.229 176.019 176.000 -0.349 0.000 1.012 134 Q CA 0.155 55.642 55.803 -0.527 0.000 0.891 134 Q CB 0.569 28.896 28.738 -0.685 0.000 1.201 134 Q HN 0.467 nan 8.270 nan 0.000 0.391 135 S N 4.433 119.905 115.700 -0.380 0.000 2.565 135 S HA 0.276 4.746 4.470 0.000 0.000 0.274 135 S C -1.583 172.882 174.600 -0.225 0.000 1.309 135 S CA -1.512 56.539 58.200 -0.248 0.000 1.043 135 S CB 0.779 63.824 63.200 -0.259 0.000 0.939 135 S HN 0.639 nan 8.310 nan 0.000 0.504 136 P HA -0.053 nan 4.420 nan 0.000 0.219 136 P C 0.126 177.359 177.300 -0.111 0.000 1.146 136 P CA 1.079 64.109 63.100 -0.115 0.000 0.808 136 P CB 0.007 31.660 31.700 -0.078 0.000 0.779 137 D N -0.239 120.090 120.400 -0.118 0.000 2.336 137 D HA 0.270 4.910 4.640 0.000 0.000 0.228 137 D C 1.082 177.331 176.300 -0.086 0.000 1.120 137 D CA 0.521 54.472 54.000 -0.082 0.000 0.839 137 D CB 0.144 40.914 40.800 -0.050 0.000 0.932 137 D HN 0.168 nan 8.370 nan 0.000 0.509 138 G N -0.049 108.640 108.800 -0.186 0.000 2.692 138 G HA2 0.336 4.296 3.960 0.000 0.000 0.686 138 G HA3 0.336 4.296 3.960 0.000 0.000 0.686 138 G C 0.255 174.834 174.900 -0.535 0.000 1.243 138 G CA -0.468 44.501 45.100 -0.219 0.000 0.782 138 G HN 0.673 nan 8.290 nan 0.000 0.625 139 G N -0.847 107.666 108.800 -0.479 0.000 2.795 139 G HA2 0.345 4.305 3.960 0.000 0.000 0.664 139 G HA3 0.345 4.305 3.960 0.000 0.000 0.664 139 G C -0.447 174.091 174.900 -0.603 0.000 1.381 139 G CA 0.152 44.939 45.100 -0.522 0.000 0.853 139 G HN 1.776 nan 8.290 nan 0.000 0.545 140 F N 0.355 120.169 119.950 -0.227 0.000 2.546 140 F HA 0.699 5.226 4.527 0.000 0.000 0.320 140 F C 1.104 176.827 175.800 -0.129 0.000 1.076 140 F CA 0.222 58.115 58.000 -0.179 0.000 0.928 140 F CB 2.182 41.077 39.000 -0.175 0.000 1.189 140 F HN 0.806 nan 8.300 nan 0.000 0.465 141 G N -0.033 108.798 108.800 0.051 0.000 2.511 141 G HA2 0.434 4.394 3.960 0.000 0.000 0.316 141 G HA3 0.434 4.394 3.960 0.000 0.000 0.316 141 G C 0.803 175.713 174.900 0.017 0.000 1.210 141 G CA -0.460 44.663 45.100 0.039 0.000 0.969 141 G HN 0.918 nan 8.290 nan 0.000 0.492 142 G N -1.619 107.187 108.800 0.011 0.000 2.776 142 G HA2 0.452 4.412 3.960 0.000 0.000 0.209 142 G HA3 0.452 4.412 3.960 0.000 0.000 0.209 142 G C 0.676 175.597 174.900 0.035 0.000 1.145 142 G CA 0.923 46.032 45.100 0.016 0.000 0.791 142 G HN 1.256 nan 8.290 nan 0.000 0.530 143 G N -1.326 107.471 108.800 -0.005 0.000 2.356 143 G HA2 0.464 4.424 3.960 0.000 0.000 0.294 143 G HA3 0.464 4.424 3.960 0.000 0.000 0.294 143 G C -3.445 171.411 174.900 -0.073 0.000 1.423 143 G CA -0.972 44.130 45.100 0.002 0.000 0.806 143 G HN -0.104 nan 8.290 nan 0.000 0.527 144 P HA 0.313 nan 4.420 nan 0.000 0.263 144 P C 1.041 178.313 177.300 -0.045 0.000 1.195 144 P CA 1.910 64.962 63.100 -0.080 0.000 0.762 144 P CB 0.925 32.614 31.700 -0.019 0.000 0.799 145 G N 1.981 110.750 108.800 -0.052 0.000 2.184 145 G HA2 -0.284 3.676 3.960 0.000 0.000 0.264 145 G HA3 -0.284 3.676 3.960 0.000 0.000 0.264 145 G C 0.177 175.051 174.900 -0.043 0.000 0.975 145 G CA -0.197 44.884 45.100 -0.032 0.000 0.642 145 G HN 0.561 nan 8.290 nan 0.000 0.536 146 Q N -0.588 119.179 119.800 -0.056 0.000 2.354 146 Q HA 0.463 4.803 4.340 0.000 0.000 0.244 146 Q C 0.232 176.252 176.000 0.033 0.000 0.969 146 Q CA -0.559 55.190 55.803 -0.090 0.000 0.885 146 Q CB 0.711 29.412 28.738 -0.061 0.000 1.241 146 Q HN 0.519 nan 8.270 nan 0.000 0.461 147 Y N 1.985 122.271 120.300 -0.023 0.000 2.578 147 Y HA 0.024 4.574 4.550 0.000 0.000 0.339 147 Y C -1.547 174.341 175.900 -0.020 0.000 1.231 147 Y CA -1.878 56.209 58.100 -0.022 0.000 1.461 147 Y CB 0.031 38.493 38.460 0.003 0.000 1.323 147 Y HN 0.443 nan 8.280 nan 0.000 0.590 148 P HA 0.004 nan 4.420 nan 0.000 0.272 148 P C -0.996 176.439 177.300 0.225 0.000 1.223 148 P CA 0.498 63.571 63.100 -0.044 0.000 0.784 148 P CB 1.115 32.484 31.700 -0.551 0.000 0.923 149 H N 1.434 120.600 119.070 0.160 0.000 3.046 149 H HA 0.200 4.756 4.556 0.000 0.000 0.363 149 H C 0.596 176.110 175.328 0.309 0.000 1.203 149 H CA -0.576 55.653 56.048 0.302 0.000 1.169 149 H CB 1.467 31.343 29.762 0.189 0.000 1.851 149 H HN 0.195 nan 8.280 nan 0.000 0.546 150 L N 2.533 124.011 121.223 0.426 0.000 2.131 150 L HA -0.131 4.209 4.340 0.000 0.000 0.210 150 L C 2.461 179.556 176.870 0.374 0.000 1.092 150 L CA 1.525 56.578 54.840 0.355 0.000 0.759 150 L CB -0.400 41.763 42.059 0.174 0.000 0.903 150 L HN 0.685 nan 8.230 nan 0.000 0.435 151 A N 0.799 123.983 122.820 0.607 0.000 1.855 151 A HA -0.083 4.237 4.320 0.000 0.000 0.215 151 A C -0.144 177.403 177.584 -0.061 0.000 1.191 151 A CA 1.462 53.766 52.037 0.446 0.000 0.613 151 A CB -1.802 17.630 19.000 0.719 0.000 0.829 151 A HN 0.284 nan 8.150 nan 0.000 0.442 152 P HA -0.081 nan 4.420 nan 0.000 0.223 152 P C 1.226 178.378 177.300 -0.246 0.000 1.151 152 P CA 1.542 64.434 63.100 -0.346 0.000 0.787 152 P CB -0.326 31.299 31.700 -0.125 0.000 0.788 153 T N -0.629 113.932 114.554 0.012 0.000 2.708 153 T HA -0.194 4.156 4.350 0.000 0.000 0.266 153 T C 1.709 176.341 174.700 -0.113 0.000 1.037 153 T CA 1.326 63.488 62.100 0.102 0.000 1.146 153 T CB -1.133 67.891 68.868 0.260 0.000 0.865 153 T HN 0.109 nan 8.240 nan 0.000 0.435 154 Y N 2.153 122.306 120.300 -0.244 0.000 2.145 154 Y HA -0.061 4.489 4.550 0.000 0.000 0.286 154 Y C 2.510 178.073 175.900 -0.561 0.000 1.145 154 Y CA 1.123 59.020 58.100 -0.339 0.000 1.148 154 Y CB -0.714 37.594 38.460 -0.254 0.000 0.981 154 Y HN 0.163 nan 8.280 nan 0.000 0.507 155 A N 0.823 123.116 122.820 -0.878 0.000 1.902 155 A HA -0.116 4.204 4.320 0.000 0.000 0.217 155 A C 2.425 179.567 177.584 -0.737 0.000 1.181 155 A CA 2.001 53.394 52.037 -1.074 0.000 0.623 155 A CB -1.557 16.622 19.000 -1.369 0.000 0.818 155 A HN 0.669 nan 8.150 nan 0.000 0.443 156 A N -0.636 121.750 122.820 -0.723 0.000 1.898 156 A HA 0.023 4.343 4.320 0.000 0.000 0.216 156 A C 2.232 179.384 177.584 -0.719 0.000 1.181 156 A CA 1.744 53.285 52.037 -0.827 0.000 0.620 156 A CB -0.904 17.191 19.000 -1.508 0.000 0.819 156 A HN 0.380 nan 8.150 nan 0.000 0.442 157 V N 0.767 120.302 119.914 -0.633 0.000 2.295 157 V HA -0.249 3.871 4.120 0.000 0.000 0.246 157 V C 2.357 178.238 176.094 -0.355 0.000 1.049 157 V CA 2.227 64.289 62.300 -0.397 0.000 1.024 157 V CB -1.031 30.621 31.823 -0.285 0.000 0.648 157 V HN 0.540 nan 8.190 nan 0.000 0.447 158 N N 0.404 118.791 118.700 -0.522 0.000 2.120 158 N HA -0.119 4.621 4.740 0.000 0.000 0.188 158 N C 1.838 177.250 175.510 -0.162 0.000 1.024 158 N CA 1.688 54.479 53.050 -0.432 0.000 0.852 158 N CB -0.539 37.434 38.487 -0.856 0.000 1.003 158 N HN 0.477 nan 8.380 nan 0.000 0.424 159 A N 0.660 123.387 122.820 -0.156 0.000 1.877 159 A HA -0.052 4.268 4.320 0.000 0.000 0.216 159 A C 2.315 179.843 177.584 -0.093 0.000 1.186 159 A CA 0.964 52.965 52.037 -0.060 0.000 0.620 159 A CB -0.791 18.150 19.000 -0.099 0.000 0.822 159 A HN 0.255 nan 8.150 nan 0.000 0.443 160 L N -0.811 120.327 121.223 -0.142 0.000 2.083 160 L HA -0.249 4.091 4.340 0.000 0.000 0.209 160 L C 2.596 179.437 176.870 -0.048 0.000 1.083 160 L CA 1.190 55.972 54.840 -0.097 0.000 0.752 160 L CB -0.602 41.413 42.059 -0.072 0.000 0.899 160 L HN 0.488 nan 8.230 nan 0.000 0.433 161 C N -0.429 118.873 119.300 0.003 0.000 2.450 161 C HA -0.049 4.411 4.460 0.000 0.000 0.279 161 C C 2.683 177.689 174.990 0.026 0.000 1.335 161 C CA 0.144 59.215 59.018 0.088 0.000 1.749 161 C CB -0.573 27.196 27.740 0.048 0.000 1.963 161 C HN 0.432 nan 8.230 nan 0.000 0.501 162 I N 0.711 121.281 120.570 -0.001 0.000 2.252 162 I HA -0.176 3.994 4.170 0.000 0.000 0.245 162 I C 2.273 178.369 176.117 -0.034 0.000 1.102 162 I CA 1.619 62.927 61.300 0.014 0.000 1.385 162 I CB -0.308 37.720 38.000 0.046 0.000 1.064 162 I HN 0.276 nan 8.210 nan 0.000 0.414 163 I N 0.564 121.086 120.570 -0.079 0.000 2.142 163 I HA -0.211 3.959 4.170 0.000 0.000 0.240 163 I C 1.902 177.901 176.117 -0.197 0.000 1.078 163 I CA 1.534 62.760 61.300 -0.124 0.000 1.343 163 I CB -0.814 37.106 38.000 -0.134 0.000 1.046 163 I HN 0.459 nan 8.210 nan 0.000 0.405 164 G N 1.263 109.871 108.800 -0.320 0.000 2.168 164 G HA2 -0.276 3.684 3.960 0.000 0.000 0.257 164 G HA3 -0.276 3.684 3.960 0.000 0.000 0.257 164 G C 0.437 174.874 174.900 -0.773 0.000 0.997 164 G CA 0.555 45.338 45.100 -0.527 0.000 0.708 164 G HN 0.534 nan 8.290 nan 0.000 0.520 165 T N -3.172 110.979 114.554 -0.672 0.000 2.881 165 T HA 0.646 4.996 4.350 0.000 0.000 0.278 165 T C 1.221 175.532 174.700 -0.648 0.000 0.982 165 T CA 0.157 61.962 62.100 -0.492 0.000 0.989 165 T CB 1.623 70.328 68.868 -0.271 0.000 1.058 165 T HN -0.050 nan 8.240 nan 0.000 0.529 166 E N 0.348 120.356 120.200 -0.320 0.000 2.085 166 E HA -0.170 4.180 4.350 0.000 0.000 0.194 166 E C 1.935 178.455 176.600 -0.133 0.000 0.994 166 E CA 1.413 57.709 56.400 -0.173 0.000 0.801 166 E CB -0.328 29.345 29.700 -0.044 0.000 0.743 166 E HN 0.924 nan 8.360 nan 0.000 0.453 167 E N 0.414 120.538 120.200 -0.127 0.000 2.058 167 E HA -0.195 4.155 4.350 0.000 0.000 0.194 167 E C 1.957 178.510 176.600 -0.078 0.000 0.997 167 E CA 1.169 57.524 56.400 -0.074 0.000 0.801 167 E CB -0.007 29.651 29.700 -0.070 0.000 0.746 167 E HN 0.167 nan 8.360 nan 0.000 0.450 168 A N 0.341 123.053 122.820 -0.180 0.000 1.873 168 A HA -0.167 4.153 4.320 0.000 0.000 0.215 168 A C 2.002 179.576 177.584 -0.017 0.000 1.186 168 A CA 1.422 53.368 52.037 -0.151 0.000 0.616 168 A CB -1.085 17.750 19.000 -0.276 0.000 0.823 168 A HN 0.486 nan 8.150 nan 0.000 0.442 169 Y N 0.253 120.513 120.300 -0.067 0.000 2.165 169 Y HA -0.235 4.315 4.550 0.000 0.000 0.286 169 Y C 2.373 178.374 175.900 0.169 0.000 1.155 169 Y CA 0.886 58.989 58.100 0.005 0.000 1.164 169 Y CB -0.279 37.809 38.460 -0.621 0.000 0.978 169 Y HN 0.303 nan 8.280 nan 0.000 0.513 170 N N -0.078 118.755 118.700 0.221 0.000 2.443 170 N HA -0.124 4.616 4.740 0.000 0.000 0.184 170 N C 1.738 177.345 175.510 0.161 0.000 1.037 170 N CA 0.677 53.841 53.050 0.189 0.000 0.896 170 N CB -0.454 38.101 38.487 0.113 0.000 0.959 170 N HN 0.166 nan 8.380 nan 0.000 0.442 171 V N 1.396 121.402 119.914 0.153 0.000 2.343 171 V HA -0.136 3.984 4.120 0.000 0.000 0.247 171 V C 1.052 177.249 176.094 0.171 0.000 1.051 171 V CA 0.814 63.198 62.300 0.140 0.000 1.036 171 V CB -0.318 31.590 31.823 0.141 0.000 0.654 171 V HN 0.195 nan 8.190 nan 0.000 0.451 172 I N 2.121 122.834 120.570 0.239 0.000 2.664 172 I HA -0.016 4.154 4.170 0.000 0.000 0.284 172 I C 0.658 176.842 176.117 0.111 0.000 1.154 172 I CA 0.362 61.786 61.300 0.207 0.000 1.402 172 I CB -0.234 37.884 38.000 0.197 0.000 1.395 172 I HN 0.157 nan 8.210 nan 0.000 0.545 173 N N 7.127 125.834 118.700 0.012 0.000 2.508 173 N HA 0.108 4.848 4.740 0.000 0.000 0.253 173 N C 1.032 176.553 175.510 0.018 0.000 1.145 173 N CA 0.062 53.114 53.050 0.003 0.000 0.973 173 N CB 0.451 38.903 38.487 -0.057 0.000 1.305 173 N HN 0.473 nan 8.380 nan 0.000 0.506 174 R N 1.975 122.506 120.500 0.052 0.000 2.081 174 R HA -0.147 4.193 4.340 0.000 0.000 0.235 174 R C 0.949 177.301 176.300 0.088 0.000 1.131 174 R CA 1.541 57.666 56.100 0.042 0.000 0.960 174 R CB 0.196 30.525 30.300 0.047 0.000 0.856 174 R HN 0.482 nan 8.270 nan 0.000 0.436 175 E N 0.560 120.831 120.200 0.118 0.000 2.047 175 E HA -0.128 4.222 4.350 0.000 0.000 0.191 175 E C 1.806 178.538 176.600 0.221 0.000 0.987 175 E CA 1.066 57.589 56.400 0.205 0.000 0.799 175 E CB 0.051 29.837 29.700 0.144 0.000 0.752 175 E HN 0.054 nan 8.360 nan 0.000 0.449 176 K N 0.255 120.717 120.400 0.104 0.000 2.155 176 K HA -0.016 4.304 4.320 0.000 0.000 0.203 176 K C 2.071 178.748 176.600 0.128 0.000 1.052 176 K CA 0.352 56.686 56.287 0.079 0.000 0.948 176 K CB -0.397 32.095 32.500 -0.013 0.000 0.728 176 K HN 0.121 nan 8.250 nan 0.000 0.448 177 L N 1.305 122.586 121.223 0.096 0.000 2.017 177 L HA -0.138 4.202 4.340 0.000 0.000 0.208 177 L C 2.113 179.090 176.870 0.178 0.000 1.073 177 L CA 1.349 56.261 54.840 0.119 0.000 0.745 177 L CB -0.759 41.333 42.059 0.055 0.000 0.894 177 L HN 0.055 nan 8.230 nan 0.000 0.432 178 L N -0.544 120.785 121.223 0.176 0.000 2.046 178 L HA -0.234 4.106 4.340 0.000 0.000 0.208 178 L C 2.511 179.636 176.870 0.426 0.000 1.077 178 L CA 1.799 56.733 54.840 0.158 0.000 0.747 178 L CB -0.830 41.240 42.059 0.018 0.000 0.896 178 L HN 0.446 nan 8.230 nan 0.000 0.432 179 Q N -1.925 118.266 119.800 0.653 0.000 2.061 179 Q HA -0.287 4.053 4.340 0.000 0.000 0.204 179 Q C 2.202 178.410 176.000 0.347 0.000 0.984 179 Q CA 2.218 58.346 55.803 0.542 0.000 0.846 179 Q CB -0.448 28.413 28.738 0.204 0.000 0.902 179 Q HN 0.605 nan 8.270 nan 0.000 0.421 180 Y N 1.181 121.569 120.300 0.147 0.000 2.128 180 Y HA -0.244 4.306 4.550 0.000 0.000 0.284 180 Y C 1.818 177.777 175.900 0.098 0.000 1.154 180 Y CA 1.460 59.611 58.100 0.084 0.000 1.149 180 Y CB -0.342 38.140 38.460 0.037 0.000 0.976 180 Y HN 0.044 nan 8.280 nan 0.000 0.505 181 L N -1.573 119.648 121.223 -0.003 0.000 2.046 181 L HA -0.291 4.049 4.340 0.000 0.000 0.208 181 L C 2.278 179.119 176.870 -0.048 0.000 1.077 181 L CA 1.755 56.542 54.840 -0.088 0.000 0.747 181 L CB -1.014 40.966 42.059 -0.132 0.000 0.896 181 L HN 0.239 nan 8.230 nan 0.000 0.432 182 Y N 0.431 120.731 120.300 -0.000 0.000 2.207 182 Y HA -0.297 4.253 4.550 0.000 0.000 0.287 182 Y C 3.115 178.962 175.900 -0.088 0.000 1.156 182 Y CA 1.589 59.667 58.100 -0.036 0.000 1.182 182 Y CB -0.193 38.312 38.460 0.075 0.000 0.979 182 Y HN 0.313 nan 8.280 nan 0.000 0.521 183 S N -0.247 115.494 115.700 0.068 0.000 2.447 183 S HA -0.137 4.333 4.470 0.000 0.000 0.233 183 S C 1.609 176.134 174.600 -0.125 0.000 1.006 183 S CA 1.138 59.321 58.200 -0.029 0.000 0.957 183 S CB -0.648 62.543 63.200 -0.014 0.000 0.773 183 S HN 0.498 nan 8.310 nan 0.000 0.507 184 L N -0.198 120.914 121.223 -0.185 0.000 2.416 184 L HA 0.315 4.655 4.340 0.000 0.000 0.216 184 L C 1.042 177.753 176.870 -0.265 0.000 1.098 184 L CA -0.102 54.624 54.840 -0.189 0.000 0.840 184 L CB -0.299 41.657 42.059 -0.172 0.000 0.981 184 L HN 0.132 nan 8.230 nan 0.000 0.462 185 K N 1.731 121.884 120.400 -0.412 0.000 2.484 185 K HA -0.005 4.315 4.320 0.000 0.000 0.280 185 K C -0.220 176.078 176.600 -0.504 0.000 1.013 185 K CA 0.533 56.328 56.287 -0.820 0.000 1.029 185 K CB 0.377 32.456 32.500 -0.700 0.000 0.902 185 K HN -0.070 nan 8.250 nan 0.000 0.481 186 Q N 4.680 124.150 119.800 -0.549 0.000 2.257 186 Q HA 0.276 4.616 4.340 0.000 0.000 0.262 186 Q C -1.798 174.035 176.000 -0.279 0.000 0.997 186 Q CA -2.286 53.308 55.803 -0.348 0.000 0.873 186 Q CB 0.963 29.496 28.738 -0.342 0.000 1.312 186 Q HN 0.437 nan 8.270 nan 0.000 0.450 187 P HA -0.155 nan 4.420 nan 0.000 0.218 187 P C 0.430 177.673 177.300 -0.096 0.000 1.148 187 P CA 1.272 64.300 63.100 -0.120 0.000 0.822 187 P CB 0.245 31.896 31.700 -0.081 0.000 0.784 188 D N -1.664 118.678 120.400 -0.097 0.000 2.363 188 D HA 0.047 4.687 4.640 0.000 0.000 0.226 188 D C 1.454 177.749 176.300 -0.007 0.000 1.020 188 D CA 0.755 54.745 54.000 -0.017 0.000 0.892 188 D CB -0.910 39.921 40.800 0.052 0.000 0.900 188 D HN 0.253 nan 8.370 nan 0.000 0.531 189 G N -0.187 108.534 108.800 -0.131 0.000 2.213 189 G HA2 -0.287 3.673 3.960 0.000 0.000 0.236 189 G HA3 -0.287 3.673 3.960 0.000 0.000 0.236 189 G C 0.495 175.230 174.900 -0.275 0.000 0.991 189 G CA 0.406 45.441 45.100 -0.108 0.000 0.629 189 G HN 0.849 nan 8.290 nan 0.000 0.517 190 S N -0.352 114.981 115.700 -0.612 0.000 2.634 190 S HA 0.793 5.263 4.470 0.000 0.000 0.261 190 S C -0.303 173.908 174.600 -0.649 0.000 1.271 190 S CA -0.333 57.307 58.200 -0.933 0.000 0.985 190 S CB 1.356 63.545 63.200 -1.685 0.000 0.968 190 S HN 0.577 nan 8.310 nan 0.000 0.568 191 F N -0.334 119.324 119.950 -0.486 0.000 2.551 191 F HA 0.508 5.035 4.527 0.000 0.000 0.316 191 F C -0.044 175.580 175.800 -0.294 0.000 1.089 191 F CA -0.978 56.833 58.000 -0.314 0.000 0.915 191 F CB 1.557 40.429 39.000 -0.212 0.000 1.186 191 F HN 0.459 nan 8.300 nan 0.000 0.456 192 L N 3.697 124.862 121.223 -0.097 0.000 2.436 192 L HA 0.127 4.467 4.340 0.000 0.000 0.265 192 L C 1.347 178.149 176.870 -0.113 0.000 1.168 192 L CA -0.539 54.214 54.840 -0.146 0.000 0.815 192 L CB 0.542 42.487 42.059 -0.190 0.000 1.109 192 L HN 0.689 nan 8.230 nan 0.000 0.462 193 M N 0.812 120.316 119.600 -0.161 0.000 2.229 193 M HA -0.032 4.448 4.480 0.000 0.000 0.264 193 M C 0.379 176.540 176.300 -0.231 0.000 1.063 193 M CA 1.293 56.490 55.300 -0.171 0.000 1.114 193 M CB -1.044 31.474 32.600 -0.136 0.000 1.387 193 M HN 0.786 nan 8.290 nan 0.000 0.420 194 H N -4.952 113.996 119.070 -0.204 0.000 2.967 194 H HA 0.500 5.056 4.556 0.000 0.000 0.318 194 H C -0.951 174.362 175.328 -0.025 0.000 1.375 194 H CA -1.237 54.773 56.048 -0.063 0.000 1.132 194 H CB 0.462 30.207 29.762 -0.028 0.000 1.848 194 H HN -0.244 nan 8.280 nan 0.000 0.524 195 V N 1.513 121.504 119.914 0.127 0.000 2.599 195 V HA 0.294 4.414 4.120 0.000 0.000 0.300 195 V C 1.573 177.705 176.094 0.065 0.000 1.034 195 V CA 1.419 63.746 62.300 0.045 0.000 1.115 195 V CB 0.286 32.149 31.823 0.067 0.000 0.934 195 V HN 1.419 nan 8.190 nan 0.000 0.485 196 G N 3.394 112.172 108.800 -0.036 0.000 2.179 196 G HA2 -0.140 3.820 3.960 0.000 0.000 0.257 196 G HA3 -0.140 3.820 3.960 0.000 0.000 0.257 196 G C 0.440 175.273 174.900 -0.112 0.000 1.010 196 G CA 0.277 45.365 45.100 -0.019 0.000 0.736 196 G HN 1.359 nan 8.290 nan 0.000 0.513 197 G N -1.379 107.168 108.800 -0.421 0.000 2.971 197 G HA2 0.707 4.667 3.960 0.000 0.000 0.235 197 G HA3 0.707 4.667 3.960 0.000 0.000 0.235 197 G C -0.447 174.267 174.900 -0.309 0.000 1.351 197 G CA -0.156 44.536 45.100 -0.680 0.000 1.039 197 G HN 0.373 nan 8.290 nan 0.000 0.563 198 E N -1.760 118.307 120.200 -0.221 0.000 2.264 198 E HA 0.554 4.904 4.350 0.000 0.000 0.260 198 E C -0.945 175.603 176.600 -0.088 0.000 0.961 198 E CA -0.673 55.667 56.400 -0.099 0.000 0.834 198 E CB 2.544 32.235 29.700 -0.015 0.000 1.230 198 E HN 0.132 nan 8.360 nan 0.000 0.412 199 V N 2.285 122.160 119.914 -0.065 0.000 2.539 199 V HA 0.338 4.458 4.120 0.000 0.000 0.292 199 V C -0.655 175.455 176.094 0.026 0.000 1.045 199 V CA 0.010 62.259 62.300 -0.084 0.000 0.945 199 V CB 1.406 33.127 31.823 -0.170 0.000 0.993 199 V HN 0.817 nan 8.190 nan 0.000 0.464 200 D N 2.318 122.756 120.400 0.064 0.000 2.653 200 D HA 0.208 4.848 4.640 0.000 0.000 0.258 200 D C 0.241 176.718 176.300 0.295 0.000 1.252 200 D CA -0.653 53.458 54.000 0.185 0.000 0.777 200 D CB 1.461 42.305 40.800 0.074 0.000 1.339 200 D HN 0.070 nan 8.370 nan 0.000 0.422 201 V N 0.737 120.869 119.914 0.365 0.000 2.568 201 V HA -0.231 3.889 4.120 0.000 0.000 0.253 201 V C 2.378 178.681 176.094 0.349 0.000 1.072 201 V CA 1.975 64.532 62.300 0.428 0.000 1.084 201 V CB -0.908 31.069 31.823 0.257 0.000 0.676 201 V HN 0.538 nan 8.190 nan 0.000 0.469 202 R N 0.986 121.707 120.500 0.369 0.000 2.091 202 R HA -0.175 4.165 4.340 0.000 0.000 0.238 202 R C 2.660 179.102 176.300 0.237 0.000 1.136 202 R CA 1.792 58.075 56.100 0.305 0.000 0.959 202 R CB -0.630 29.843 30.300 0.288 0.000 0.856 202 R HN 0.728 nan 8.270 nan 0.000 0.437 203 S N 0.654 116.463 115.700 0.181 0.000 2.382 203 S HA -0.114 4.356 4.470 0.000 0.000 0.228 203 S C 2.220 176.812 174.600 -0.013 0.000 1.027 203 S CA 1.016 59.265 58.200 0.082 0.000 0.991 203 S CB -0.163 63.075 63.200 0.063 0.000 0.823 203 S HN 0.376 nan 8.310 nan 0.000 0.469 204 A N 0.760 123.631 122.820 0.085 0.000 1.898 204 A HA 0.012 4.332 4.320 0.000 0.000 0.216 204 A C 2.088 179.684 177.584 0.020 0.000 1.181 204 A CA 1.469 53.552 52.037 0.077 0.000 0.620 204 A CB -1.252 17.902 19.000 0.257 0.000 0.819 204 A HN 0.680 nan 8.150 nan 0.000 0.442 205 Y N 0.297 120.584 120.300 -0.021 0.000 2.145 205 Y HA -0.256 4.294 4.550 0.000 0.000 0.286 205 Y C 2.558 178.429 175.900 -0.048 0.000 1.145 205 Y CA 1.392 59.461 58.100 -0.052 0.000 1.148 205 Y CB -0.940 37.508 38.460 -0.021 0.000 0.981 205 Y HN 0.372 nan 8.280 nan 0.000 0.507 206 C N 0.576 119.747 119.300 -0.216 0.000 2.413 206 C HA -0.168 4.292 4.460 0.000 0.000 0.276 206 C C 3.084 177.983 174.990 -0.151 0.000 1.236 206 C CA 1.316 60.208 59.018 -0.210 0.000 1.735 206 C CB -1.821 25.915 27.740 -0.006 0.000 2.031 206 C HN 0.744 nan 8.230 nan 0.000 0.474 207 A N 0.498 123.185 122.820 -0.223 0.000 1.877 207 A HA 0.058 4.378 4.320 0.000 0.000 0.216 207 A C 2.382 179.939 177.584 -0.044 0.000 1.186 207 A CA 2.189 54.068 52.037 -0.264 0.000 0.620 207 A CB -1.020 17.468 19.000 -0.855 0.000 0.822 207 A HN 0.582 nan 8.150 nan 0.000 0.443 208 A N -0.912 121.810 122.820 -0.162 0.000 1.902 208 A HA -0.097 4.223 4.320 0.000 0.000 0.217 208 A C 2.491 179.985 177.584 -0.150 0.000 1.181 208 A CA 2.222 54.050 52.037 -0.347 0.000 0.623 208 A CB -0.980 17.719 19.000 -0.501 0.000 0.818 208 A HN 0.568 nan 8.150 nan 0.000 0.443 209 S N -0.366 115.241 115.700 -0.156 0.000 2.343 209 S HA -0.166 4.304 4.470 0.000 0.000 0.219 209 S C 2.117 176.763 174.600 0.078 0.000 1.033 209 S CA 2.342 60.567 58.200 0.042 0.000 1.014 209 S CB -0.871 62.287 63.200 -0.070 0.000 0.915 209 S HN 1.021 nan 8.310 nan 0.000 0.435 210 V N 0.652 120.562 119.914 -0.007 0.000 2.343 210 V HA 0.077 4.197 4.120 0.000 0.000 0.247 210 V C 2.515 178.570 176.094 -0.064 0.000 1.051 210 V CA 1.783 64.051 62.300 -0.053 0.000 1.036 210 V CB -1.691 30.114 31.823 -0.030 0.000 0.654 210 V HN 0.521 nan 8.190 nan 0.000 0.451 211 A N 1.578 124.397 122.820 -0.002 0.000 1.898 211 A HA -0.113 4.207 4.320 0.000 0.000 0.216 211 A C 2.574 180.165 177.584 0.011 0.000 1.181 211 A CA 2.468 54.522 52.037 0.029 0.000 0.620 211 A CB -0.967 18.152 19.000 0.199 0.000 0.819 211 A HN 0.911 nan 8.150 nan 0.000 0.442 212 S N 0.106 115.822 115.700 0.027 0.000 2.357 212 S HA -0.047 4.423 4.470 0.000 0.000 0.221 212 S C 1.908 176.495 174.600 -0.022 0.000 1.031 212 S CA 1.264 59.485 58.200 0.036 0.000 0.982 212 S CB -0.791 62.473 63.200 0.107 0.000 0.853 212 S HN 0.406 nan 8.310 nan 0.000 0.458 213 L N 1.995 123.165 121.223 -0.088 0.000 2.042 213 L HA -0.089 4.251 4.340 0.000 0.000 0.210 213 L C 2.971 179.694 176.870 -0.245 0.000 1.076 213 L CA 1.719 56.435 54.840 -0.205 0.000 0.749 213 L CB -1.090 40.795 42.059 -0.291 0.000 0.893 213 L HN 0.620 nan 8.230 nan 0.000 0.432 214 T N -4.186 110.124 114.554 -0.407 0.000 3.129 214 T HA 0.034 4.384 4.350 0.000 0.000 0.251 214 T C 0.852 175.373 174.700 -0.299 0.000 1.117 214 T CA 0.204 61.834 62.100 -0.782 0.000 1.034 214 T CB -0.374 68.038 68.868 -0.759 0.000 0.968 214 T HN 0.354 nan 8.240 nan 0.000 0.526 215 N N 1.155 119.793 118.700 -0.103 0.000 2.696 215 N HA -0.176 4.564 4.740 0.000 0.000 0.256 215 N C 0.263 175.758 175.510 -0.024 0.000 1.031 215 N CA 0.911 53.953 53.050 -0.014 0.000 0.730 215 N CB -1.876 36.640 38.487 0.048 0.000 0.894 215 N HN 0.917 nan 8.380 nan 0.000 0.544 216 I N -2.806 117.739 120.570 -0.041 0.000 4.050 216 I HA 0.373 4.543 4.170 0.000 0.000 0.327 216 I C 0.081 176.168 176.117 -0.050 0.000 1.473 216 I CA -0.612 60.657 61.300 -0.051 0.000 1.124 216 I CB 0.149 38.108 38.000 -0.068 0.000 1.129 216 I HN 0.039 nan 8.210 nan 0.000 0.428 217 I N 4.088 124.665 120.570 0.011 0.000 2.494 217 I HA 0.070 4.240 4.170 0.000 0.000 0.289 217 I C 0.976 177.102 176.117 0.014 0.000 1.106 217 I CA 0.197 61.533 61.300 0.061 0.000 1.369 217 I CB 0.474 38.572 38.000 0.163 0.000 1.410 217 I HN 0.353 nan 8.210 nan 0.000 0.523 218 T N 3.339 117.871 114.554 -0.036 0.000 2.847 218 T HA 0.323 4.673 4.350 0.000 0.000 0.279 218 T C -1.633 173.083 174.700 0.026 0.000 0.984 218 T CA -1.708 60.383 62.100 -0.014 0.000 0.988 218 T CB 1.277 70.138 68.868 -0.011 0.000 1.040 218 T HN 0.288 nan 8.240 nan 0.000 0.528 219 P HA -0.040 nan 4.420 nan 0.000 0.218 219 P C 0.993 178.326 177.300 0.054 0.000 1.149 219 P CA 1.002 64.130 63.100 0.048 0.000 0.817 219 P CB 0.023 31.746 31.700 0.037 0.000 0.785 220 D N -1.516 118.915 120.400 0.052 0.000 2.379 220 D HA -0.016 4.624 4.640 0.000 0.000 0.208 220 D C 1.719 178.011 176.300 -0.013 0.000 1.065 220 D CA -0.101 53.928 54.000 0.048 0.000 0.848 220 D CB -0.842 39.998 40.800 0.067 0.000 0.949 220 D HN -0.008 nan 8.370 nan 0.000 0.509 221 L N 0.236 121.381 121.223 -0.130 0.000 2.021 221 L HA -0.071 4.269 4.340 0.000 0.000 0.215 221 L C 1.196 177.740 176.870 -0.542 0.000 1.074 221 L CA 1.745 56.281 54.840 -0.507 0.000 0.760 221 L CB -0.791 40.823 42.059 -0.741 0.000 0.889 221 L HN -0.028 nan 8.230 nan 0.000 0.433 222 F N -0.726 119.241 119.950 0.028 0.000 2.668 222 F HA 0.255 4.782 4.527 0.000 0.000 0.297 222 F C 0.760 176.591 175.800 0.053 0.000 1.124 222 F CA -0.658 57.394 58.000 0.087 0.000 1.353 222 F CB -0.217 38.833 39.000 0.082 0.000 0.992 222 F HN -0.012 nan 8.300 nan 0.000 0.524 223 E N 0.539 120.795 120.200 0.094 0.000 2.415 223 E HA 0.311 4.661 4.350 0.000 0.000 0.260 223 E C 1.163 177.800 176.600 0.062 0.000 1.016 223 E CA 0.871 57.313 56.400 0.071 0.000 0.924 223 E CB 0.375 30.092 29.700 0.028 0.000 0.961 223 E HN 0.473 nan 8.360 nan 0.000 0.459 224 G N 3.174 112.028 108.800 0.089 0.000 2.205 224 G HA2 -0.359 3.601 3.960 0.000 0.000 0.261 224 G HA3 -0.359 3.601 3.960 0.000 0.000 0.261 224 G C 1.253 176.251 174.900 0.163 0.000 0.980 224 G CA 0.746 45.904 45.100 0.098 0.000 0.632 224 G HN 0.593 nan 8.290 nan 0.000 0.533 225 T N 0.921 115.602 114.554 0.211 0.000 2.737 225 T HA 0.175 4.526 4.350 0.000 0.000 0.265 225 T C 2.805 177.673 174.700 0.279 0.000 1.038 225 T CA 2.353 64.637 62.100 0.306 0.000 1.144 225 T CB -0.451 68.704 68.868 0.480 0.000 0.866 225 T HN 1.194 nan 8.240 nan 0.000 0.434 226 A N 1.672 124.603 122.820 0.185 0.000 1.908 226 A HA -0.173 4.147 4.320 0.000 0.000 0.218 226 A C 2.212 179.859 177.584 0.104 0.000 1.181 226 A CA 1.856 53.963 52.037 0.117 0.000 0.627 226 A CB -0.593 18.450 19.000 0.072 0.000 0.818 226 A HN 0.453 nan 8.150 nan 0.000 0.445 227 E N -1.512 118.757 120.200 0.114 0.000 2.106 227 E HA -0.186 4.164 4.350 0.000 0.000 0.192 227 E C 1.578 178.229 176.600 0.086 0.000 0.984 227 E CA 1.273 57.721 56.400 0.080 0.000 0.806 227 E CB -0.346 29.402 29.700 0.079 0.000 0.750 227 E HN 0.845 nan 8.360 nan 0.000 0.458 228 W N 0.892 122.199 121.300 0.012 0.000 2.379 228 W HA -0.090 4.570 4.660 0.000 0.000 0.307 228 W C 1.710 178.226 176.519 -0.005 0.000 1.200 228 W CA 1.407 58.754 57.345 0.004 0.000 1.297 228 W CB -0.199 29.271 29.460 0.016 0.000 1.140 228 W HN -0.026 nan 8.180 nan 0.000 0.507 229 I N 0.789 121.442 120.570 0.137 0.000 2.208 229 I HA -0.335 3.835 4.170 0.000 0.000 0.245 229 I C 2.597 178.595 176.117 -0.198 0.000 1.097 229 I CA 1.585 62.860 61.300 -0.041 0.000 1.363 229 I CB -1.109 36.955 38.000 0.105 0.000 1.051 229 I HN 0.088 nan 8.210 nan 0.000 0.413 230 A N 0.692 123.440 122.820 -0.120 0.000 1.972 230 A HA -0.198 4.122 4.320 0.000 0.000 0.219 230 A C 2.341 179.807 177.584 -0.196 0.000 1.169 230 A CA 1.416 53.374 52.037 -0.131 0.000 0.635 230 A CB -0.582 18.376 19.000 -0.070 0.000 0.810 230 A HN 0.348 nan 8.150 nan 0.000 0.446 231 R N -1.182 119.155 120.500 -0.272 0.000 2.237 231 R HA -0.078 4.262 4.340 0.000 0.000 0.219 231 R C 1.586 177.654 176.300 -0.386 0.000 1.080 231 R CA 1.169 57.083 56.100 -0.310 0.000 0.995 231 R CB -0.523 29.557 30.300 -0.366 0.000 0.875 231 R HN 0.615 nan 8.270 nan 0.000 0.462 232 C N 0.219 119.228 119.300 -0.485 0.000 2.539 232 C HA 0.037 4.497 4.460 0.000 0.000 0.268 232 C C 1.221 176.015 174.990 -0.326 0.000 1.395 232 C CA -0.429 58.320 59.018 -0.449 0.000 1.757 232 C CB -0.803 26.613 27.740 -0.541 0.000 1.851 232 C HN 0.440 nan 8.230 nan 0.000 0.545 233 Q N 2.782 122.415 119.800 -0.278 0.000 2.297 233 Q HA 0.159 4.499 4.340 0.000 0.000 0.267 233 Q C 0.112 175.970 176.000 -0.237 0.000 1.006 233 Q CA 0.213 55.857 55.803 -0.265 0.000 0.896 233 Q CB 0.557 29.169 28.738 -0.209 0.000 1.186 233 Q HN 0.706 nan 8.270 nan 0.000 0.392 234 N N 3.459 121.979 118.700 -0.299 0.000 2.813 234 N HA 0.135 4.875 4.740 0.000 0.000 0.320 234 N C 0.830 176.213 175.510 -0.213 0.000 1.315 234 N CA -0.602 52.307 53.050 -0.235 0.000 0.871 234 N CB -0.383 37.928 38.487 -0.292 0.000 1.241 234 N HN 0.834 nan 8.380 nan 0.000 0.602 235 W N -0.567 120.679 121.300 -0.090 0.000 2.387 235 W HA -0.032 4.628 4.660 0.000 0.000 0.272 235 W C 0.378 176.877 176.519 -0.034 0.000 1.224 235 W CA 0.853 58.167 57.345 -0.051 0.000 1.210 235 W CB -0.829 28.612 29.460 -0.032 0.000 1.125 235 W HN 0.571 nan 8.180 nan 0.000 0.572 236 E N 0.204 119.896 120.200 -0.846 0.000 2.299 236 E HA 0.141 4.491 4.350 0.000 0.000 0.193 236 E C 2.121 178.536 176.600 -0.307 0.000 0.998 236 E CA 0.869 56.857 56.400 -0.687 0.000 0.851 236 E CB -0.300 28.830 29.700 -0.951 0.000 0.795 236 E HN 0.414 nan 8.360 nan 0.000 0.492 237 G N 0.788 109.366 108.800 -0.371 0.000 2.284 237 G HA2 -0.228 3.732 3.960 0.000 0.000 0.216 237 G HA3 -0.228 3.732 3.960 0.000 0.000 0.216 237 G C 0.609 175.230 174.900 -0.466 0.000 1.009 237 G CA -0.223 44.732 45.100 -0.242 0.000 0.625 237 G HN 0.526 nan 8.290 nan 0.000 0.501 238 G N -0.353 107.779 108.800 -1.113 0.000 2.535 238 G HA2 0.627 4.587 3.960 0.000 0.000 0.282 238 G HA3 0.627 4.587 3.960 0.000 0.000 0.282 238 G C -0.222 174.150 174.900 -0.880 0.000 1.350 238 G CA -0.473 43.712 45.100 -1.526 0.000 1.039 238 G HN 0.711 nan 8.290 nan 0.000 0.509 239 I N 0.216 120.356 120.570 -0.718 0.000 2.465 239 I HA 0.439 4.609 4.170 0.000 0.000 0.291 239 I C 0.787 176.740 176.117 -0.273 0.000 1.014 239 I CA -0.735 60.326 61.300 -0.397 0.000 1.093 239 I CB 2.041 39.888 38.000 -0.255 0.000 1.267 239 I HN 0.573 nan 8.210 nan 0.000 0.431 240 G N 2.769 111.408 108.800 -0.269 0.000 2.502 240 G HA2 0.406 4.366 3.960 0.000 0.000 0.305 240 G HA3 0.406 4.366 3.960 0.000 0.000 0.305 240 G C 0.933 175.590 174.900 -0.405 0.000 1.190 240 G CA -0.148 44.815 45.100 -0.229 0.000 0.933 240 G HN 0.806 nan 8.290 nan 0.000 0.503 241 G N -1.278 107.068 108.800 -0.756 0.000 2.422 241 G HA2 0.205 4.165 3.960 0.000 0.000 0.218 241 G HA3 0.205 4.165 3.960 0.000 0.000 0.218 241 G C 0.680 175.278 174.900 -0.503 0.000 1.146 241 G CA 1.866 46.141 45.100 -1.376 0.000 0.769 241 G HN 1.484 nan 8.290 nan 0.000 0.547 242 V N -4.733 114.991 119.914 -0.317 0.000 3.159 242 V HA 0.677 4.797 4.120 0.000 0.000 0.308 242 V C -3.035 172.908 176.094 -0.251 0.000 1.190 242 V CA -3.007 59.196 62.300 -0.162 0.000 1.037 242 V CB 1.751 33.590 31.823 0.028 0.000 1.060 242 V HN -0.126 nan 8.190 nan 0.000 0.437 243 P HA 0.400 nan 4.420 nan 0.000 0.265 243 P C 0.935 178.160 177.300 -0.125 0.000 1.193 243 P CA 1.961 64.913 63.100 -0.246 0.000 0.765 243 P CB 0.761 32.313 31.700 -0.246 0.000 0.823 244 G N 1.689 110.430 108.800 -0.097 0.000 2.254 244 G HA2 -0.198 3.762 3.960 0.000 0.000 0.225 244 G HA3 -0.198 3.762 3.960 0.000 0.000 0.225 244 G C 0.193 175.088 174.900 -0.008 0.000 1.003 244 G CA -0.442 44.641 45.100 -0.028 0.000 0.622 244 G HN 0.393 nan 8.290 nan 0.000 0.507 245 M N 1.454 121.017 119.600 -0.061 0.000 2.241 245 M HA 0.369 4.849 4.480 0.000 0.000 0.335 245 M C 0.735 177.003 176.300 -0.053 0.000 1.122 245 M CA -0.706 54.565 55.300 -0.049 0.000 1.164 245 M CB 0.767 33.309 32.600 -0.097 0.000 1.459 245 M HN 0.408 nan 8.290 nan 0.000 0.461 246 E N 1.324 121.527 120.200 0.005 0.000 2.452 246 E HA 0.245 4.595 4.350 0.000 0.000 0.261 246 E C -0.578 175.983 176.600 -0.064 0.000 0.987 246 E CA -0.375 56.024 56.400 -0.003 0.000 0.926 246 E CB 0.719 30.473 29.700 0.091 0.000 0.934 246 E HN 0.701 nan 8.360 nan 0.000 0.452 247 A N 5.243 127.928 122.820 -0.226 0.000 2.520 247 A HA 0.039 4.359 4.320 0.000 0.000 0.245 247 A C -0.425 177.160 177.584 0.002 0.000 1.072 247 A CA 0.242 52.052 52.037 -0.378 0.000 0.761 247 A CB 0.232 18.657 19.000 -0.957 0.000 1.004 247 A HN 0.725 nan 8.150 nan 0.000 0.499 248 H N 1.675 120.724 119.070 -0.035 0.000 2.771 248 H HA 0.370 4.926 4.556 0.000 0.000 0.361 248 H C 1.218 176.655 175.328 0.182 0.000 1.108 248 H CA 0.151 56.294 56.048 0.158 0.000 1.201 248 H CB 1.803 31.670 29.762 0.175 0.000 1.681 248 H HN 0.684 nan 8.280 nan 0.000 0.534 249 G N 2.468 111.181 108.800 -0.144 0.000 2.469 249 G HA2 -0.286 3.674 3.960 0.000 0.000 0.219 249 G HA3 -0.286 3.674 3.960 0.000 0.000 0.219 249 G C 1.496 176.466 174.900 0.117 0.000 1.150 249 G CA 0.892 46.024 45.100 0.053 0.000 0.763 249 G HN 0.670 nan 8.290 nan 0.000 0.561 250 G N -0.169 108.664 108.800 0.055 0.000 2.404 250 G HA2 -0.157 3.803 3.960 0.000 0.000 0.215 250 G HA3 -0.157 3.803 3.960 0.000 0.000 0.215 250 G C 1.616 176.332 174.900 -0.308 0.000 1.174 250 G CA 0.860 45.699 45.100 -0.436 0.000 0.780 250 G HN 0.519 nan 8.290 nan 0.000 0.537 251 Y N 0.916 121.222 120.300 0.010 0.000 2.314 251 Y HA -0.065 4.485 4.550 0.000 0.000 0.293 251 Y C 3.319 179.188 175.900 -0.052 0.000 1.129 251 Y CA 1.223 59.306 58.100 -0.029 0.000 1.201 251 Y CB -0.202 38.241 38.460 -0.027 0.000 0.999 251 Y HN 0.115 nan 8.280 nan 0.000 0.541 252 T N 0.401 115.014 114.554 0.098 0.000 2.777 252 T HA -0.208 4.142 4.350 0.000 0.000 0.266 252 T C 1.558 176.259 174.700 0.002 0.000 1.040 252 T CA 1.370 63.464 62.100 -0.011 0.000 1.141 252 T CB -0.624 68.207 68.868 -0.062 0.000 0.868 252 T HN 0.352 nan 8.240 nan 0.000 0.444 253 F N 1.442 121.368 119.950 -0.039 0.000 2.102 253 F HA -0.160 4.367 4.527 0.000 0.000 0.298 253 F C 2.424 178.115 175.800 -0.181 0.000 1.105 253 F CA 0.799 58.757 58.000 -0.070 0.000 1.239 253 F CB -0.732 38.316 39.000 0.080 0.000 0.991 253 F HN 0.142 nan 8.300 nan 0.000 0.474 254 C N 0.866 120.062 119.300 -0.173 0.000 2.413 254 C HA -0.112 4.348 4.460 0.000 0.000 0.276 254 C C 3.098 177.980 174.990 -0.179 0.000 1.248 254 C CA 1.303 60.146 59.018 -0.292 0.000 1.742 254 C CB -1.942 25.806 27.740 0.014 0.000 2.017 254 C HN 0.747 nan 8.230 nan 0.000 0.481 255 G N 0.029 108.775 108.800 -0.090 0.000 2.433 255 G HA2 -0.179 3.781 3.960 0.000 0.000 0.216 255 G HA3 -0.179 3.781 3.960 0.000 0.000 0.216 255 G C 1.500 176.323 174.900 -0.127 0.000 1.186 255 G CA 0.957 46.021 45.100 -0.059 0.000 0.779 255 G HN 0.435 nan 8.290 nan 0.000 0.543 256 L N 1.421 122.523 121.223 -0.202 0.000 2.027 256 L HA 0.197 4.537 4.340 0.000 0.000 0.206 256 L C 3.074 179.781 176.870 -0.272 0.000 1.074 256 L CA 2.137 56.853 54.840 -0.208 0.000 0.745 256 L CB -0.818 41.128 42.059 -0.188 0.000 0.898 256 L HN 0.243 nan 8.230 nan 0.000 0.433 257 A N -0.493 122.026 122.820 -0.502 0.000 1.902 257 A HA -0.125 4.195 4.320 0.000 0.000 0.217 257 A C 2.448 179.937 177.584 -0.158 0.000 1.181 257 A CA 1.871 53.631 52.037 -0.461 0.000 0.623 257 A CB -1.159 17.285 19.000 -0.926 0.000 0.818 257 A HN 0.575 nan 8.150 nan 0.000 0.443 258 A N -0.275 122.509 122.820 -0.060 0.000 1.902 258 A HA -0.031 4.289 4.320 0.000 0.000 0.217 258 A C 2.150 179.679 177.584 -0.092 0.000 1.181 258 A CA 1.477 53.506 52.037 -0.014 0.000 0.623 258 A CB -0.581 18.445 19.000 0.044 0.000 0.818 258 A HN 0.477 nan 8.150 nan 0.000 0.443 259 L N -0.581 120.595 121.223 -0.078 0.000 2.141 259 L HA -0.138 4.202 4.340 0.000 0.000 0.209 259 L C 2.487 179.318 176.870 -0.065 0.000 1.094 259 L CA 0.781 55.583 54.840 -0.064 0.000 0.763 259 L CB -0.529 41.500 42.059 -0.050 0.000 0.908 259 L HN 0.241 nan 8.230 nan 0.000 0.437 260 V N 0.332 120.200 119.914 -0.077 0.000 2.295 260 V HA -0.299 3.821 4.120 0.000 0.000 0.246 260 V C 2.350 178.417 176.094 -0.044 0.000 1.049 260 V CA 1.867 64.137 62.300 -0.051 0.000 1.024 260 V CB -0.293 31.497 31.823 -0.055 0.000 0.648 260 V HN 0.301 nan 8.190 nan 0.000 0.447 261 I N -0.323 120.197 120.570 -0.082 0.000 2.151 261 I HA -0.287 3.883 4.170 0.000 0.000 0.243 261 I C 2.142 178.202 176.117 -0.095 0.000 1.080 261 I CA 1.747 62.993 61.300 -0.089 0.000 1.339 261 I CB -0.292 37.617 38.000 -0.151 0.000 1.039 261 I HN 0.255 nan 8.210 nan 0.000 0.409 262 L N 0.080 121.225 121.223 -0.130 0.000 2.478 262 L HA -0.026 4.314 4.340 0.000 0.000 0.223 262 L C 0.597 177.445 176.870 -0.036 0.000 1.140 262 L CA 0.348 55.121 54.840 -0.111 0.000 0.842 262 L CB -0.350 41.630 42.059 -0.131 0.000 0.953 262 L HN 0.236 nan 8.230 nan 0.000 0.452 263 K N 0.368 120.754 120.400 -0.023 0.000 3.125 263 K HA -0.162 4.158 4.320 0.000 0.000 0.268 263 K C 0.040 176.642 176.600 0.004 0.000 1.078 263 K CA 0.337 56.624 56.287 0.002 0.000 0.775 263 K CB -0.910 31.600 32.500 0.016 0.000 1.253 263 K HN 0.184 nan 8.250 nan 0.000 0.486 264 K N -0.011 120.385 120.400 -0.006 0.000 2.592 264 K HA 0.062 4.382 4.320 0.000 0.000 0.203 264 K C 0.355 176.951 176.600 -0.007 0.000 1.070 264 K CA -0.013 56.274 56.287 0.000 0.000 1.062 264 K CB 0.848 33.353 32.500 0.008 0.000 0.814 264 K HN 0.196 nan 8.250 nan 0.000 0.502 265 E N 0.807 121.001 120.200 -0.011 0.000 2.171 265 E HA -0.181 4.169 4.350 0.000 0.000 0.197 265 E C 1.623 178.216 176.600 -0.011 0.000 0.997 265 E CA 1.233 57.624 56.400 -0.016 0.000 0.810 265 E CB -0.086 29.609 29.700 -0.009 0.000 0.738 265 E HN 0.098 nan 8.360 nan 0.000 0.467 266 R N 0.192 120.691 120.500 -0.002 0.000 2.193 266 R HA 0.008 4.348 4.340 0.000 0.000 0.229 266 R C 1.958 178.254 176.300 -0.005 0.000 1.110 266 R CA 0.980 57.080 56.100 -0.000 0.000 0.988 266 R CB -0.128 30.175 30.300 0.005 0.000 0.871 266 R HN 0.038 nan 8.270 nan 0.000 0.458 267 S N -0.006 115.690 115.700 -0.007 0.000 2.469 267 S HA -0.014 4.456 4.470 0.000 0.000 0.238 267 S C 0.586 175.170 174.600 -0.026 0.000 0.998 267 S CA 0.628 58.821 58.200 -0.011 0.000 0.957 267 S CB -0.040 63.157 63.200 -0.005 0.000 0.764 267 S HN 0.171 nan 8.310 nan 0.000 0.514 268 L N 1.648 122.852 121.223 -0.032 0.000 2.352 268 L HA 0.393 4.733 4.340 0.000 0.000 0.269 268 L C 0.394 177.245 176.870 -0.032 0.000 1.034 268 L CA -0.847 53.965 54.840 -0.045 0.000 0.806 268 L CB 0.458 42.483 42.059 -0.056 0.000 1.244 268 L HN -0.008 nan 8.230 nan 0.000 0.447 269 N N 1.868 120.546 118.700 -0.037 0.000 2.448 269 N HA 0.127 4.867 4.740 0.000 0.000 0.250 269 N C 0.656 176.158 175.510 -0.013 0.000 1.136 269 N CA 0.110 53.149 53.050 -0.020 0.000 0.953 269 N CB 0.647 39.122 38.487 -0.020 0.000 1.251 269 N HN 0.576 nan 8.380 nan 0.000 0.502 270 L N 2.291 123.513 121.223 -0.001 0.000 2.191 270 L HA -0.122 4.218 4.340 0.000 0.000 0.212 270 L C 2.037 178.926 176.870 0.031 0.000 1.103 270 L CA 0.829 55.676 54.840 0.012 0.000 0.769 270 L CB -0.172 41.896 42.059 0.016 0.000 0.908 270 L HN 0.361 nan 8.230 nan 0.000 0.438 271 K N 0.044 120.462 120.400 0.031 0.000 2.076 271 K HA -0.050 4.270 4.320 0.000 0.000 0.204 271 K C 2.392 179.026 176.600 0.056 0.000 1.051 271 K CA 1.570 57.884 56.287 0.045 0.000 0.949 271 K CB -0.471 32.051 32.500 0.038 0.000 0.726 271 K HN 0.379 nan 8.250 nan 0.000 0.443 272 S N 1.413 117.138 115.700 0.043 0.000 2.402 272 S HA -0.071 4.399 4.470 0.000 0.000 0.229 272 S C 2.134 176.782 174.600 0.080 0.000 1.021 272 S CA 0.613 58.844 58.200 0.053 0.000 0.974 272 S CB -0.529 62.684 63.200 0.021 0.000 0.800 272 S HN 0.220 nan 8.310 nan 0.000 0.484 273 L N 0.251 121.506 121.223 0.053 0.000 2.027 273 L HA 0.004 4.344 4.340 0.000 0.000 0.206 273 L C 2.555 179.532 176.870 0.179 0.000 1.074 273 L CA 1.431 56.323 54.840 0.087 0.000 0.745 273 L CB -0.380 41.690 42.059 0.019 0.000 0.898 273 L HN 0.395 nan 8.230 nan 0.000 0.433 274 L N -0.159 121.140 121.223 0.127 0.000 2.017 274 L HA -0.291 4.049 4.340 0.000 0.000 0.208 274 L C 2.501 179.457 176.870 0.144 0.000 1.073 274 L CA 1.967 56.887 54.840 0.133 0.000 0.745 274 L CB -0.608 41.515 42.059 0.108 0.000 0.894 274 L HN 0.350 nan 8.230 nan 0.000 0.432 275 Q N -1.707 118.173 119.800 0.133 0.000 2.084 275 Q HA -0.279 4.061 4.340 0.000 0.000 0.202 275 Q C 2.091 178.173 176.000 0.136 0.000 0.978 275 Q CA 2.222 58.096 55.803 0.118 0.000 0.844 275 Q CB -0.501 28.299 28.738 0.103 0.000 0.898 275 Q HN 0.680 nan 8.270 nan 0.000 0.426 276 W N -0.284 121.012 121.300 -0.007 0.000 2.355 276 W HA -0.218 4.442 4.660 0.000 0.000 0.309 276 W C 1.996 178.511 176.519 -0.006 0.000 1.206 276 W CA 1.638 58.962 57.345 -0.034 0.000 1.284 276 W CB -0.583 28.827 29.460 -0.084 0.000 1.145 276 W HN 0.060 nan 8.180 nan 0.000 0.502 277 V N 1.237 121.229 119.914 0.130 0.000 2.358 277 V HA -0.280 3.840 4.120 0.000 0.000 0.246 277 V C 2.498 178.579 176.094 -0.021 0.000 1.047 277 V CA 3.204 65.453 62.300 -0.085 0.000 1.035 277 V CB -1.140 30.751 31.823 0.114 0.000 0.658 277 V HN 0.475 nan 8.190 nan 0.000 0.452 278 T N -2.953 111.641 114.554 0.067 0.000 2.833 278 T HA -0.157 4.193 4.350 0.000 0.000 0.269 278 T C 1.908 176.601 174.700 -0.011 0.000 1.054 278 T CA 1.801 63.967 62.100 0.110 0.000 1.135 278 T CB -0.628 68.317 68.868 0.130 0.000 0.869 278 T HN 0.450 nan 8.240 nan 0.000 0.466 279 S N 1.054 116.694 115.700 -0.099 0.000 2.474 279 S HA 0.051 4.521 4.470 0.000 0.000 0.235 279 S C 2.040 176.486 174.600 -0.255 0.000 0.997 279 S CA 0.282 58.386 58.200 -0.159 0.000 0.949 279 S CB -0.226 62.876 63.200 -0.164 0.000 0.766 279 S HN 0.440 nan 8.310 nan 0.000 0.517 280 R N 1.205 121.512 120.500 -0.321 0.000 2.276 280 R HA 0.141 4.481 4.340 0.000 0.000 0.203 280 R C 0.944 177.067 176.300 -0.296 0.000 1.017 280 R CA 0.102 56.013 56.100 -0.314 0.000 1.010 280 R CB -0.367 29.682 30.300 -0.418 0.000 0.900 280 R HN 0.513 nan 8.270 nan 0.000 0.469 281 Q N 1.091 120.564 119.800 -0.545 0.000 2.313 281 Q HA 0.095 4.435 4.340 0.000 0.000 0.266 281 Q C -0.508 175.227 176.000 -0.441 0.000 0.989 281 Q CA -0.100 55.111 55.803 -0.987 0.000 0.890 281 Q CB 0.687 28.805 28.738 -1.033 0.000 1.200 281 Q HN -0.146 nan 8.270 nan 0.000 0.396 282 M N 4.518 123.902 119.600 -0.361 0.000 2.146 282 M HA 0.098 4.578 4.480 0.000 0.000 0.352 282 M C 1.099 177.352 176.300 -0.080 0.000 1.343 282 M CA 0.400 55.599 55.300 -0.170 0.000 1.115 282 M CB 0.562 33.081 32.600 -0.136 0.000 1.657 282 M HN 0.700 nan 8.290 nan 0.000 0.471 283 R N 1.513 122.002 120.500 -0.018 0.000 2.105 283 R HA -0.187 4.153 4.340 0.000 0.000 0.239 283 R C 1.475 177.844 176.300 0.115 0.000 1.135 283 R CA 1.647 57.775 56.100 0.047 0.000 0.967 283 R CB -0.534 29.786 30.300 0.033 0.000 0.861 283 R HN 0.534 nan 8.270 nan 0.000 0.442 284 F N 1.937 121.882 119.950 -0.009 0.000 2.148 284 F HA 0.105 4.632 4.527 0.000 0.000 0.285 284 F C 1.843 177.850 175.800 0.345 0.000 1.092 284 F CA 1.178 59.207 58.000 0.049 0.000 1.218 284 F CB 0.024 39.014 39.000 -0.018 0.000 1.059 284 F HN -0.125 nan 8.300 nan 0.000 0.490 285 E N 0.205 120.477 120.200 0.120 0.000 2.110 285 E HA 0.049 4.399 4.350 0.000 0.000 0.193 285 E C 1.892 178.528 176.600 0.059 0.000 0.988 285 E CA 1.391 57.811 56.400 0.033 0.000 0.804 285 E CB -0.681 28.932 29.700 -0.145 0.000 0.745 285 E HN 0.624 nan 8.360 nan 0.000 0.458 286 G N -0.325 108.456 108.800 -0.032 0.000 2.268 286 G HA2 -0.250 3.710 3.960 0.000 0.000 0.240 286 G HA3 -0.250 3.710 3.960 0.000 0.000 0.240 286 G C 0.673 175.502 174.900 -0.118 0.000 1.010 286 G CA 0.069 45.153 45.100 -0.027 0.000 0.618 286 G HN 0.653 nan 8.290 nan 0.000 0.516 287 G N -0.643 107.945 108.800 -0.353 0.000 2.535 287 G HA2 0.595 4.555 3.960 0.000 0.000 0.282 287 G HA3 0.595 4.555 3.960 0.000 0.000 0.282 287 G C -0.526 174.206 174.900 -0.280 0.000 1.350 287 G CA -0.681 44.228 45.100 -0.317 0.000 1.039 287 G HN 0.316 nan 8.290 nan 0.000 0.509 288 F N -0.428 119.462 119.950 -0.099 0.000 2.492 288 F HA 0.385 4.912 4.527 0.000 0.000 0.327 288 F C 0.732 176.520 175.800 -0.020 0.000 1.079 288 F CA -0.688 57.265 58.000 -0.078 0.000 0.967 288 F CB 2.144 41.105 39.000 -0.065 0.000 1.169 288 F HN 0.532 nan 8.300 nan 0.000 0.472 289 Q N 0.885 120.701 119.800 0.028 0.000 2.212 289 Q HA 0.554 4.894 4.340 0.000 0.000 0.238 289 Q C 0.554 176.259 176.000 -0.492 0.000 0.955 289 Q CA -0.457 55.294 55.803 -0.087 0.000 0.906 289 Q CB 1.571 30.239 28.738 -0.117 0.000 1.215 289 Q HN 0.833 nan 8.270 nan 0.000 0.478 290 G N 1.006 109.286 108.800 -0.866 0.000 2.494 290 G HA2 0.020 3.980 3.960 0.000 0.000 0.216 290 G HA3 0.020 3.980 3.960 0.000 0.000 0.216 290 G C 0.194 174.635 174.900 -0.765 0.000 1.140 290 G CA 0.110 44.308 45.100 -1.504 0.000 0.801 290 G HN 0.693 nan 8.290 nan 0.000 0.536 291 R N -2.107 118.178 120.500 -0.358 0.000 2.734 291 R HA 0.453 4.793 4.340 0.000 0.000 0.271 291 R C -1.257 175.001 176.300 -0.071 0.000 1.021 291 R CA -0.927 55.125 56.100 -0.081 0.000 0.893 291 R CB 0.213 30.560 30.300 0.079 0.000 1.244 291 R HN -0.035 nan 8.270 nan 0.000 0.464 292 C N 2.232 121.534 119.300 0.003 0.000 2.596 292 C HA 0.077 4.537 4.460 0.000 0.000 0.414 292 C C 0.703 175.704 174.990 0.020 0.000 1.396 292 C CA 0.991 60.001 59.018 -0.013 0.000 1.698 292 C CB -1.315 26.453 27.740 0.045 0.000 2.572 292 C HN 0.985 nan 8.230 nan 0.000 0.604 293 N N 2.319 121.019 118.700 -0.000 0.000 2.800 293 N HA -0.136 4.604 4.740 0.000 0.000 0.250 293 N C -0.337 175.187 175.510 0.024 0.000 1.078 293 N CA 1.327 54.387 53.050 0.018 0.000 0.804 293 N CB -0.703 37.809 38.487 0.041 0.000 1.135 293 N HN 0.794 nan 8.380 nan 0.000 0.565 294 K N -0.060 120.347 120.400 0.012 0.000 2.354 294 K HA 0.568 4.888 4.320 0.000 0.000 0.238 294 K C 0.607 177.222 176.600 0.026 0.000 1.068 294 K CA -0.768 55.539 56.287 0.032 0.000 0.925 294 K CB 1.008 33.541 32.500 0.056 0.000 1.286 294 K HN -0.065 nan 8.250 nan 0.000 0.500 295 L N 0.944 122.204 121.223 0.061 0.000 2.379 295 L HA 0.287 4.627 4.340 0.000 0.000 0.269 295 L C 0.505 177.430 176.870 0.091 0.000 1.084 295 L CA -0.874 54.005 54.840 0.066 0.000 0.802 295 L CB 1.218 43.325 42.059 0.080 0.000 1.175 295 L HN 0.266 nan 8.230 nan 0.000 0.448 296 V N 1.516 121.460 119.914 0.049 0.000 3.032 296 V HA 0.027 4.147 4.120 0.000 0.000 0.307 296 V C -0.433 175.765 176.094 0.172 0.000 1.097 296 V CA 0.702 63.020 62.300 0.030 0.000 1.191 296 V CB 1.144 32.860 31.823 -0.179 0.000 0.964 296 V HN 0.889 nan 8.190 nan 0.000 0.494 297 D N 3.031 123.597 120.400 0.277 0.000 2.931 297 D HA 0.331 4.971 4.640 0.000 0.000 0.215 297 D C 0.710 177.206 176.300 0.326 0.000 1.297 297 D CA 0.191 54.376 54.000 0.308 0.000 0.892 297 D CB 1.705 42.677 40.800 0.288 0.000 1.642 297 D HN 0.602 nan 8.370 nan 0.000 0.560 298 G N 1.811 110.832 108.800 0.368 0.000 2.469 298 G HA2 -0.304 3.656 3.960 0.000 0.000 0.220 298 G HA3 -0.304 3.656 3.960 0.000 0.000 0.220 298 G C 1.791 176.800 174.900 0.181 0.000 1.136 298 G CA 1.443 46.741 45.100 0.330 0.000 0.759 298 G HN 0.756 nan 8.290 nan 0.000 0.562 299 C N -1.213 118.150 119.300 0.104 0.000 2.419 299 C HA 0.096 4.556 4.460 0.000 0.000 0.281 299 C C 2.372 177.234 174.990 -0.213 0.000 1.336 299 C CA 0.369 59.274 59.018 -0.189 0.000 1.770 299 C CB -1.638 25.869 27.740 -0.388 0.000 1.929 299 C HN 0.475 nan 8.230 nan 0.000 0.509 300 Y N 2.105 122.509 120.300 0.173 0.000 2.616 300 Y HA -0.048 4.502 4.550 0.000 0.000 0.296 300 Y C 2.743 178.592 175.900 -0.086 0.000 1.154 300 Y CA 0.713 58.872 58.100 0.097 0.000 1.325 300 Y CB -0.375 38.157 38.460 0.121 0.000 1.007 300 Y HN 0.341 nan 8.280 nan 0.000 0.542 301 S N 0.071 115.825 115.700 0.090 0.000 2.399 301 S HA -0.192 4.278 4.470 0.000 0.000 0.231 301 S C 1.589 176.097 174.600 -0.153 0.000 1.022 301 S CA 1.390 59.611 58.200 0.035 0.000 0.983 301 S CB -0.371 62.914 63.200 0.141 0.000 0.803 301 S HN 0.550 nan 8.310 nan 0.000 0.480 302 F N 0.527 120.291 119.950 -0.310 0.000 2.208 302 F HA 0.154 4.681 4.527 0.000 0.000 0.282 302 F C 1.728 177.242 175.800 -0.477 0.000 1.071 302 F CA 0.367 58.105 58.000 -0.436 0.000 1.228 302 F CB -0.747 37.952 39.000 -0.503 0.000 1.088 302 F HN 0.157 nan 8.300 nan 0.000 0.512 303 W N 1.087 122.173 121.300 -0.355 0.000 2.304 303 W HA -0.266 4.394 4.660 0.000 0.000 0.315 303 W C 2.446 178.753 176.519 -0.353 0.000 1.233 303 W CA 1.204 58.322 57.345 -0.377 0.000 1.261 303 W CB -0.612 28.830 29.460 -0.030 0.000 1.150 303 W HN 0.111 nan 8.180 nan 0.000 0.494 304 Q N -0.295 119.380 119.800 -0.209 0.000 2.061 304 Q HA 0.012 4.352 4.340 0.000 0.000 0.195 304 Q C 2.457 177.910 176.000 -0.911 0.000 0.967 304 Q CA 1.486 56.970 55.803 -0.531 0.000 0.829 304 Q CB -1.234 27.071 28.738 -0.721 0.000 0.900 304 Q HN 0.320 nan 8.270 nan 0.000 0.450 305 A N 1.117 123.164 122.820 -1.288 0.000 2.015 305 A HA -0.037 4.283 4.320 0.000 0.000 0.219 305 A C 2.239 179.342 177.584 -0.801 0.000 1.163 305 A CA 1.535 52.783 52.037 -1.315 0.000 0.646 305 A CB -0.931 17.194 19.000 -1.458 0.000 0.806 305 A HN 0.440 nan 8.150 nan 0.000 0.448 306 G N -0.374 107.976 108.800 -0.750 0.000 2.498 306 G HA2 -0.092 3.868 3.960 0.000 0.000 0.219 306 G HA3 -0.092 3.868 3.960 0.000 0.000 0.219 306 G C 1.398 176.117 174.900 -0.301 0.000 1.119 306 G CA 0.841 45.546 45.100 -0.658 0.000 0.766 306 G HN 0.462 nan 8.290 nan 0.000 0.552 307 L N 0.011 121.095 121.223 -0.231 0.000 2.217 307 L HA 0.018 4.358 4.340 0.000 0.000 0.211 307 L C 2.593 179.399 176.870 -0.106 0.000 1.107 307 L CA 0.005 54.782 54.840 -0.105 0.000 0.783 307 L CB -0.205 41.830 42.059 -0.040 0.000 0.919 307 L HN 0.111 nan 8.230 nan 0.000 0.442 308 L N 0.102 121.239 121.223 -0.143 0.000 2.017 308 L HA -0.113 4.227 4.340 0.000 0.000 0.208 308 L C 0.071 176.876 176.870 -0.108 0.000 1.073 308 L CA 2.199 57.047 54.840 0.014 0.000 0.745 308 L CB -2.667 39.567 42.059 0.292 0.000 0.894 308 L HN 0.179 nan 8.230 nan 0.000 0.432 309 P HA -0.121 nan 4.420 nan 0.000 0.217 309 P C 2.267 179.455 177.300 -0.187 0.000 1.150 309 P CA 1.087 63.712 63.100 -0.792 0.000 0.832 309 P CB 0.051 31.085 31.700 -1.110 0.000 0.787 310 L N -1.553 119.584 121.223 -0.144 0.000 2.046 310 L HA -0.170 4.170 4.340 0.000 0.000 0.208 310 L C 2.468 179.347 176.870 0.015 0.000 1.077 310 L CA 1.397 56.201 54.840 -0.059 0.000 0.747 310 L CB -1.019 40.976 42.059 -0.106 0.000 0.896 310 L HN -0.037 nan 8.230 nan 0.000 0.432 311 L N -1.310 119.937 121.223 0.041 0.000 2.093 311 L HA -0.222 4.118 4.340 0.000 0.000 0.208 311 L C 2.573 179.533 176.870 0.150 0.000 1.085 311 L CA 1.045 55.936 54.840 0.086 0.000 0.755 311 L CB -0.542 41.575 42.059 0.096 0.000 0.904 311 L HN 0.256 nan 8.230 nan 0.000 0.435 312 H N -0.058 119.105 119.070 0.154 0.000 2.293 312 H HA -0.205 4.351 4.556 0.000 0.000 0.300 312 H C 2.518 177.969 175.328 0.204 0.000 1.082 312 H CA 2.040 58.241 56.048 0.255 0.000 1.308 312 H CB 0.145 30.184 29.762 0.463 0.000 1.375 312 H HN 0.065 nan 8.280 nan 0.000 0.495 313 R N 0.155 120.836 120.500 0.301 0.000 2.083 313 R HA -0.165 4.175 4.340 0.000 0.000 0.237 313 R C 2.365 178.766 176.300 0.169 0.000 1.137 313 R CA 1.384 57.605 56.100 0.203 0.000 0.951 313 R CB -0.462 29.909 30.300 0.117 0.000 0.851 313 R HN 0.402 nan 8.270 nan 0.000 0.434 314 A N 1.137 124.026 122.820 0.115 0.000 1.877 314 A HA -0.132 4.188 4.320 0.000 0.000 0.216 314 A C 2.260 179.892 177.584 0.079 0.000 1.186 314 A CA 1.357 53.441 52.037 0.079 0.000 0.620 314 A CB -0.575 18.452 19.000 0.045 0.000 0.822 314 A HN 0.368 nan 8.150 nan 0.000 0.443 315 L N -1.558 119.711 121.223 0.076 0.000 2.093 315 L HA -0.178 4.162 4.340 0.000 0.000 0.208 315 L C 2.699 179.605 176.870 0.060 0.000 1.085 315 L CA 1.458 56.326 54.840 0.046 0.000 0.755 315 L CB -0.694 41.374 42.059 0.015 0.000 0.904 315 L HN 0.598 nan 8.230 nan 0.000 0.435 316 H N 0.452 119.525 119.070 0.004 0.000 2.387 316 H HA -0.139 4.417 4.556 0.000 0.000 0.299 316 H C 2.087 177.440 175.328 0.042 0.000 1.090 316 H CA 1.463 57.530 56.048 0.032 0.000 1.332 316 H CB 0.419 30.238 29.762 0.096 0.000 1.386 316 H HN 0.334 nan 8.280 nan 0.000 0.516 317 A N 0.671 123.561 122.820 0.117 0.000 2.015 317 A HA -0.132 4.188 4.320 0.000 0.000 0.219 317 A C 2.176 179.760 177.584 -0.000 0.000 1.163 317 A CA 1.147 53.221 52.037 0.062 0.000 0.646 317 A CB -0.292 18.760 19.000 0.087 0.000 0.806 317 A HN 0.560 nan 8.150 nan 0.000 0.448 318 Q N -1.252 118.545 119.800 -0.005 0.000 2.403 318 Q HA 0.245 4.585 4.340 0.000 0.000 0.203 318 Q C 0.848 176.821 176.000 -0.045 0.000 0.932 318 Q CA 0.225 56.019 55.803 -0.015 0.000 0.945 318 Q CB 0.076 28.813 28.738 -0.000 0.000 1.045 318 Q HN 0.811 nan 8.270 nan 0.000 0.511 319 G N 2.562 111.303 108.800 -0.099 0.000 2.272 319 G HA2 -0.241 3.719 3.960 0.000 0.000 0.280 319 G HA3 -0.241 3.719 3.960 0.000 0.000 0.280 319 G C -0.471 174.376 174.900 -0.089 0.000 1.067 319 G CA 0.250 45.268 45.100 -0.137 0.000 0.902 319 G HN 0.356 nan 8.290 nan 0.000 0.500 320 D N 0.452 120.813 120.400 -0.066 0.000 2.382 320 D HA 0.257 4.897 4.640 0.000 0.000 0.259 320 D C 0.131 176.421 176.300 -0.018 0.000 1.224 320 D CA -1.268 52.715 54.000 -0.027 0.000 0.894 320 D CB 1.150 41.943 40.800 -0.013 0.000 1.127 320 D HN 0.250 nan 8.370 nan 0.000 0.487 321 P HA 0.079 nan 4.420 nan 0.000 0.240 321 P C 0.605 177.917 177.300 0.020 0.000 1.190 321 P CA 0.137 63.241 63.100 0.006 0.000 0.781 321 P CB 0.397 32.098 31.700 0.001 0.000 0.931 322 A N -0.238 122.592 122.820 0.017 0.000 2.251 322 A HA 0.175 4.495 4.320 0.000 0.000 0.209 322 A C 1.162 178.763 177.584 0.029 0.000 1.187 322 A CA -0.149 51.900 52.037 0.020 0.000 0.823 322 A CB -0.820 18.190 19.000 0.016 0.000 0.846 322 A HN 0.137 nan 8.150 nan 0.000 0.486 323 L N 0.670 121.911 121.223 0.032 0.000 2.461 323 L HA 0.107 4.447 4.340 0.000 0.000 0.272 323 L C 1.167 178.105 176.870 0.113 0.000 1.197 323 L CA -0.274 54.587 54.840 0.035 0.000 0.836 323 L CB 0.831 42.846 42.059 -0.074 0.000 1.105 323 L HN 0.296 nan 8.230 nan 0.000 0.477 324 S N 2.421 118.222 115.700 0.167 0.000 2.579 324 S HA 0.173 4.643 4.470 0.000 0.000 0.275 324 S C 0.749 175.374 174.600 0.041 0.000 1.345 324 S CA -0.320 57.909 58.200 0.048 0.000 1.031 324 S CB 0.573 63.740 63.200 -0.056 0.000 0.892 324 S HN 0.612 nan 8.310 nan 0.000 0.529 325 M N 2.974 122.486 119.600 -0.148 0.000 2.333 325 M HA 0.132 4.612 4.480 0.000 0.000 0.257 325 M C 1.031 177.056 176.300 -0.459 0.000 1.078 325 M CA -0.053 55.180 55.300 -0.111 0.000 1.005 325 M CB 0.299 32.874 32.600 -0.041 0.000 1.444 325 M HN 0.800 nan 8.290 nan 0.000 0.496 326 S N -2.148 112.920 115.700 -1.053 0.000 2.612 326 S HA 0.210 4.680 4.470 0.000 0.000 0.278 326 S C 0.185 173.623 174.600 -1.936 0.000 1.082 326 S CA -0.430 56.940 58.200 -1.384 0.000 1.185 326 S CB 0.387 62.861 63.200 -1.210 0.000 1.077 326 S HN 0.446 nan 8.310 nan 0.000 0.585 327 H N -0.839 117.371 119.070 -1.433 0.000 2.821 327 H HA 0.586 5.142 4.556 0.000 0.000 0.373 327 H C -1.248 173.735 175.328 -0.575 0.000 1.165 327 H CA -0.872 54.633 56.048 -0.904 0.000 1.154 327 H CB 0.943 30.423 29.762 -0.470 0.000 1.765 327 H HN 0.303 nan 8.280 nan 0.000 0.549 328 W N 1.694 123.033 121.300 0.065 0.000 2.129 328 W HA 0.191 4.851 4.660 0.000 0.000 0.349 328 W C 0.645 177.228 176.519 0.106 0.000 1.279 328 W CA -0.691 56.772 57.345 0.196 0.000 1.306 328 W CB 0.520 30.119 29.460 0.232 0.000 1.140 328 W HN 0.366 nan 8.180 nan 0.000 0.613 329 M N 3.137 123.067 119.600 0.550 0.000 3.435 329 M HA 0.143 4.623 4.480 0.000 0.000 0.205 329 M C -1.073 175.476 176.300 0.414 0.000 1.324 329 M CA 0.317 55.836 55.300 0.365 0.000 1.455 329 M CB -1.006 31.788 32.600 0.322 0.000 1.240 329 M HN 0.321 nan 8.290 nan 0.000 0.477 330 F N -3.859 116.239 119.950 0.247 0.000 2.685 330 F HA 0.438 4.965 4.527 0.000 0.000 0.315 330 F C -0.506 175.378 175.800 0.140 0.000 1.126 330 F CA -1.352 56.785 58.000 0.227 0.000 0.950 330 F CB 0.800 40.041 39.000 0.402 0.000 1.360 330 F HN -0.101 nan 8.300 nan 0.000 0.469 331 H N 2.655 121.781 119.070 0.093 0.000 3.205 331 H HA 0.189 4.745 4.556 0.000 0.000 0.262 331 H C 0.611 175.872 175.328 -0.111 0.000 1.333 331 H CA 0.754 56.712 56.048 -0.149 0.000 1.499 331 H CB 1.004 30.630 29.762 -0.227 0.000 1.609 331 H HN 0.861 nan 8.280 nan 0.000 0.498 332 Q N 2.553 122.169 119.800 -0.306 0.000 2.096 332 Q HA -0.221 4.119 4.340 0.000 0.000 0.204 332 Q C 2.169 178.220 176.000 0.085 0.000 0.982 332 Q CA 1.672 57.377 55.803 -0.163 0.000 0.850 332 Q CB 0.204 28.804 28.738 -0.229 0.000 0.901 332 Q HN 0.719 nan 8.270 nan 0.000 0.422 333 Q N 0.190 120.027 119.800 0.061 0.000 2.020 333 Q HA -0.191 4.149 4.340 0.000 0.000 0.202 333 Q C 2.048 178.104 176.000 0.095 0.000 0.982 333 Q CA 1.477 57.330 55.803 0.083 0.000 0.838 333 Q CB -0.224 28.543 28.738 0.047 0.000 0.899 333 Q HN 0.369 nan 8.270 nan 0.000 0.423 334 A N 0.831 123.681 122.820 0.050 0.000 1.940 334 A HA -0.180 4.140 4.320 0.000 0.000 0.219 334 A C 2.008 179.653 177.584 0.102 0.000 1.176 334 A CA 1.412 53.379 52.037 -0.116 0.000 0.631 334 A CB -0.749 17.948 19.000 -0.505 0.000 0.814 334 A HN 0.511 nan 8.150 nan 0.000 0.446 335 L N -0.167 121.190 121.223 0.224 0.000 2.027 335 L HA -0.180 4.160 4.340 0.000 0.000 0.206 335 L C 2.479 179.524 176.870 0.291 0.000 1.074 335 L CA 2.291 57.331 54.840 0.333 0.000 0.745 335 L CB -0.800 41.575 42.059 0.527 0.000 0.898 335 L HN 0.502 nan 8.230 nan 0.000 0.433 336 Q N -0.552 119.382 119.800 0.223 0.000 2.096 336 Q HA -0.256 4.084 4.340 0.000 0.000 0.204 336 Q C 2.099 178.169 176.000 0.117 0.000 0.982 336 Q CA 2.085 57.978 55.803 0.150 0.000 0.850 336 Q CB -0.217 28.580 28.738 0.099 0.000 0.901 336 Q HN 0.652 nan 8.270 nan 0.000 0.422 337 E N -0.152 120.112 120.200 0.106 0.000 2.051 337 E HA -0.220 4.130 4.350 0.000 0.000 0.192 337 E C 1.768 178.471 176.600 0.172 0.000 0.991 337 E CA 1.101 57.548 56.400 0.079 0.000 0.799 337 E CB -0.197 29.496 29.700 -0.011 0.000 0.748 337 E HN 0.338 nan 8.360 nan 0.000 0.449 338 Y N 1.460 121.840 120.300 0.135 0.000 2.128 338 Y HA -0.238 4.312 4.550 0.000 0.000 0.284 338 Y C 1.935 177.911 175.900 0.127 0.000 1.154 338 Y CA 1.524 59.727 58.100 0.170 0.000 1.149 338 Y CB -0.248 38.301 38.460 0.149 0.000 0.976 338 Y HN -0.052 nan 8.280 nan 0.000 0.505 339 I N -0.444 120.125 120.570 -0.002 0.000 2.142 339 I HA -0.340 3.830 4.170 0.000 0.000 0.240 339 I C 2.388 178.453 176.117 -0.086 0.000 1.078 339 I CA 1.524 62.771 61.300 -0.089 0.000 1.343 339 I CB -0.570 37.461 38.000 0.053 0.000 1.046 339 I HN 0.212 nan 8.210 nan 0.000 0.405 340 L N -0.390 120.832 121.223 -0.002 0.000 2.046 340 L HA -0.215 4.125 4.340 0.000 0.000 0.208 340 L C 2.600 179.486 176.870 0.027 0.000 1.077 340 L CA 1.540 56.394 54.840 0.023 0.000 0.747 340 L CB -0.383 41.700 42.059 0.039 0.000 0.896 340 L HN 0.281 nan 8.230 nan 0.000 0.432 341 M N -1.799 117.829 119.600 0.045 0.000 2.287 341 M HA -0.112 4.368 4.480 0.000 0.000 0.266 341 M C 2.006 178.300 176.300 -0.010 0.000 1.079 341 M CA 1.113 56.473 55.300 0.099 0.000 1.146 341 M CB -0.052 32.699 32.600 0.252 0.000 1.374 341 M HN 0.381 nan 8.290 nan 0.000 0.435 342 C N -1.785 117.415 119.300 -0.167 0.000 2.935 342 C HA 0.141 4.601 4.460 0.000 0.000 0.308 342 C C 2.050 176.854 174.990 -0.310 0.000 1.263 342 C CA -0.498 58.349 59.018 -0.285 0.000 1.738 342 C CB -0.459 27.020 27.740 -0.436 0.000 2.237 342 C HN 0.569 nan 8.230 nan 0.000 0.600 343 C N 1.017 120.125 119.300 -0.320 0.000 2.855 343 C HA 0.183 4.643 4.460 0.000 0.000 0.279 343 C C 0.681 175.591 174.990 -0.132 0.000 1.270 343 C CA -0.153 58.723 59.018 -0.236 0.000 1.702 343 C CB -1.741 25.849 27.740 -0.249 0.000 1.949 343 C HN 0.612 nan 8.230 nan 0.000 0.618 344 Q N 0.354 120.107 119.800 -0.077 0.000 2.257 344 Q HA 0.324 4.664 4.340 0.000 0.000 0.255 344 Q C -0.383 175.607 176.000 -0.017 0.000 0.920 344 Q CA -0.107 55.700 55.803 0.007 0.000 0.927 344 Q CB 1.697 30.496 28.738 0.102 0.000 1.229 344 Q HN 0.458 nan 8.270 nan 0.000 0.433 345 C N 4.575 123.864 119.300 -0.019 0.000 2.514 345 C HA 0.270 4.730 4.460 0.000 0.000 0.392 345 C C -1.215 173.747 174.990 -0.046 0.000 1.294 345 C CA -1.720 57.256 59.018 -0.071 0.000 1.957 345 C CB 0.011 27.659 27.740 -0.153 0.000 2.541 345 C HN 0.737 nan 8.230 nan 0.000 0.569 346 P HA -0.063 nan 4.420 nan 0.000 0.218 346 P C 1.183 178.442 177.300 -0.070 0.000 1.148 346 P CA 1.939 65.004 63.100 -0.059 0.000 0.822 346 P CB 0.035 31.703 31.700 -0.053 0.000 0.784 347 A N -1.077 121.697 122.820 -0.076 0.000 2.206 347 A HA 0.435 4.755 4.320 0.000 0.000 0.211 347 A C 1.065 178.610 177.584 -0.066 0.000 1.158 347 A CA 0.863 52.859 52.037 -0.069 0.000 0.761 347 A CB -1.062 17.897 19.000 -0.068 0.000 0.801 347 A HN 0.333 nan 8.150 nan 0.000 0.473 348 G N -2.801 105.950 108.800 -0.083 0.000 2.674 348 G HA2 0.542 4.502 3.960 0.000 0.000 0.686 348 G HA3 0.542 4.502 3.960 0.000 0.000 0.686 348 G C 0.365 175.135 174.900 -0.217 0.000 1.195 348 G CA -0.228 44.878 45.100 0.009 0.000 0.776 348 G HN 2.436 nan 8.290 nan 0.000 0.654 349 G N -0.966 107.893 108.800 0.098 0.000 2.662 349 G HA2 0.405 4.365 3.960 0.000 0.000 0.686 349 G HA3 0.405 4.365 3.960 0.000 0.000 0.686 349 G C -0.724 174.036 174.900 -0.234 0.000 1.271 349 G CA 0.029 44.945 45.100 -0.308 0.000 0.816 349 G HN 1.680 nan 8.290 nan 0.000 0.608 350 L N -0.186 120.908 121.223 -0.215 0.000 2.279 350 L HA 0.969 5.309 4.340 0.000 0.000 0.262 350 L C 0.344 177.148 176.870 -0.109 0.000 1.019 350 L CA -0.984 53.752 54.840 -0.173 0.000 0.823 350 L CB 1.870 43.806 42.059 -0.205 0.000 1.358 350 L HN 1.012 nan 8.230 nan 0.000 0.432 351 L N -2.957 118.194 121.223 -0.120 0.000 2.397 351 L HA 0.704 5.044 4.340 0.000 0.000 0.251 351 L C 0.392 177.109 176.870 -0.255 0.000 1.064 351 L CA -0.683 54.032 54.840 -0.208 0.000 0.859 351 L CB 0.543 42.478 42.059 -0.206 0.000 1.468 351 L HN 0.458 nan 8.230 nan 0.000 0.411 352 D N 0.181 120.260 120.400 -0.535 0.000 2.077 352 D HA -0.085 4.555 4.640 0.000 0.000 0.193 352 D C 0.067 176.363 176.300 -0.006 0.000 0.989 352 D CA 2.280 56.098 54.000 -0.303 0.000 0.831 352 D CB 0.347 40.922 40.800 -0.373 0.000 0.979 352 D HN 0.731 nan 8.370 nan 0.000 0.449 353 K N -1.895 118.483 120.400 -0.037 0.000 2.578 353 K HA 0.539 4.859 4.320 0.000 0.000 0.287 353 K C -3.029 173.551 176.600 -0.035 0.000 1.010 353 K CA -1.755 54.560 56.287 0.047 0.000 0.889 353 K CB 1.392 33.975 32.500 0.138 0.000 1.514 353 K HN -0.280 nan 8.250 nan 0.000 0.424 354 P HA 0.059 nan 4.420 nan 0.000 0.265 354 P C 0.457 177.733 177.300 -0.041 0.000 1.193 354 P CA 1.431 64.498 63.100 -0.055 0.000 0.765 354 P CB 0.654 32.321 31.700 -0.056 0.000 0.823 355 G N 1.358 110.128 108.800 -0.051 0.000 2.232 355 G HA2 -0.172 3.788 3.960 0.000 0.000 0.226 355 G HA3 -0.172 3.788 3.960 0.000 0.000 0.226 355 G C 0.145 175.015 174.900 -0.051 0.000 0.996 355 G CA -0.312 44.763 45.100 -0.043 0.000 0.626 355 G HN 0.476 nan 8.290 nan 0.000 0.509 356 K N 1.482 121.841 120.400 -0.069 0.000 2.087 356 K HA 0.634 4.954 4.320 0.000 0.000 0.255 356 K C 0.737 177.275 176.600 -0.103 0.000 0.988 356 K CA 0.232 56.466 56.287 -0.088 0.000 0.915 356 K CB 1.441 33.866 32.500 -0.125 0.000 1.043 356 K HN 0.569 nan 8.250 nan 0.000 0.457 357 S N 0.883 116.524 115.700 -0.098 0.000 2.616 357 S HA 0.358 4.828 4.470 0.000 0.000 0.277 357 S C 0.271 174.800 174.600 -0.118 0.000 1.234 357 S CA -0.986 57.156 58.200 -0.097 0.000 1.028 357 S CB 1.118 64.276 63.200 -0.071 0.000 0.988 357 S HN 0.574 nan 8.310 nan 0.000 0.522 358 R N 0.458 120.876 120.500 -0.137 0.000 2.738 358 R HA 0.438 4.778 4.340 0.000 0.000 0.268 358 R C -1.014 175.251 176.300 -0.058 0.000 1.062 358 R CA -0.225 55.777 56.100 -0.163 0.000 1.158 358 R CB -0.373 29.717 30.300 -0.350 0.000 1.046 358 R HN 0.864 nan 8.270 nan 0.000 0.493 359 D N -0.053 120.356 120.400 0.016 0.000 2.622 359 D HA 0.134 4.774 4.640 0.000 0.000 0.255 359 D C -0.382 175.956 176.300 0.064 0.000 1.246 359 D CA -0.831 53.242 54.000 0.123 0.000 0.795 359 D CB 0.178 41.093 40.800 0.192 0.000 1.369 359 D HN 0.381 nan 8.370 nan 0.000 0.425 360 F N -0.739 119.399 119.950 0.313 0.000 2.325 360 F HA -0.015 4.512 4.527 0.000 0.000 0.299 360 F C 1.911 177.588 175.800 -0.205 0.000 1.090 360 F CA 0.482 58.551 58.000 0.115 0.000 1.392 360 F CB -0.312 38.784 39.000 0.159 0.000 1.053 360 F HN 0.479 nan 8.300 nan 0.000 0.521 361 Y N 0.529 120.493 120.300 -0.560 0.000 2.114 361 Y HA -0.276 4.274 4.550 0.000 0.000 0.284 361 Y C 2.443 178.015 175.900 -0.546 0.000 1.143 361 Y CA 2.019 59.405 58.100 -1.190 0.000 1.135 361 Y CB -0.902 36.813 38.460 -1.240 0.000 0.980 361 Y HN 0.038 nan 8.280 nan 0.000 0.499 362 H N -0.869 118.042 119.070 -0.264 0.000 2.421 362 H HA -0.102 4.454 4.556 0.000 0.000 0.298 362 H C 2.169 177.345 175.328 -0.253 0.000 1.087 362 H CA 2.019 57.920 56.048 -0.245 0.000 1.330 362 H CB -0.356 29.360 29.762 -0.075 0.000 1.388 362 H HN 0.330 nan 8.280 nan 0.000 0.526 363 T N -0.440 114.056 114.554 -0.097 0.000 2.708 363 T HA -0.258 4.092 4.350 0.000 0.000 0.266 363 T C 2.368 176.928 174.700 -0.234 0.000 1.037 363 T CA 1.332 63.361 62.100 -0.119 0.000 1.146 363 T CB -0.791 68.104 68.868 0.045 0.000 0.865 363 T HN 0.566 nan 8.240 nan 0.000 0.435 364 C N 0.726 119.821 119.300 -0.342 0.000 2.413 364 C HA -0.143 4.317 4.460 0.000 0.000 0.277 364 C C 2.404 176.974 174.990 -0.700 0.000 1.228 364 C CA 0.673 59.372 59.018 -0.533 0.000 1.731 364 C CB -1.494 25.859 27.740 -0.644 0.000 2.042 364 C HN 0.651 nan 8.230 nan 0.000 0.468 365 Y N -0.036 119.958 120.300 -0.510 0.000 2.314 365 Y HA -0.049 4.501 4.550 0.000 0.000 0.293 365 Y C 2.884 178.599 175.900 -0.309 0.000 1.129 365 Y CA 1.432 59.207 58.100 -0.542 0.000 1.201 365 Y CB -0.723 37.211 38.460 -0.878 0.000 0.999 365 Y HN 0.400 nan 8.280 nan 0.000 0.541 366 C N -0.040 119.174 119.300 -0.143 0.000 2.429 366 C HA -0.152 4.308 4.460 0.000 0.000 0.277 366 C C 2.684 177.637 174.990 -0.062 0.000 1.262 366 C CA 0.935 59.918 59.018 -0.057 0.000 1.733 366 C CB -1.228 26.474 27.740 -0.063 0.000 2.010 366 C HN 0.523 nan 8.230 nan 0.000 0.483 367 L N 0.333 121.476 121.223 -0.135 0.000 2.093 367 L HA -0.108 4.232 4.340 0.000 0.000 0.208 367 L C 2.653 179.472 176.870 -0.084 0.000 1.085 367 L CA 1.247 56.015 54.840 -0.120 0.000 0.755 367 L CB -0.646 41.303 42.059 -0.183 0.000 0.904 367 L HN 0.296 nan 8.230 nan 0.000 0.435 368 S N 0.182 115.803 115.700 -0.131 0.000 2.356 368 S HA -0.145 4.325 4.470 0.000 0.000 0.223 368 S C 2.031 176.744 174.600 0.188 0.000 1.032 368 S CA 1.383 59.571 58.200 -0.021 0.000 1.005 368 S CB -0.651 62.383 63.200 -0.277 0.000 0.867 368 S HN 0.604 nan 8.310 nan 0.000 0.449 369 G N 1.425 110.325 108.800 0.165 0.000 2.408 369 G HA2 -0.139 3.821 3.960 0.000 0.000 0.217 369 G HA3 -0.139 3.821 3.960 0.000 0.000 0.217 369 G C 1.384 176.385 174.900 0.168 0.000 1.150 369 G CA 0.741 45.932 45.100 0.152 0.000 0.776 369 G HN 0.395 nan 8.290 nan 0.000 0.542 370 L N 1.006 122.305 121.223 0.126 0.000 2.017 370 L HA 0.021 4.361 4.340 0.000 0.000 0.208 370 L C 2.881 179.834 176.870 0.138 0.000 1.073 370 L CA 2.436 57.350 54.840 0.124 0.000 0.745 370 L CB -0.893 41.206 42.059 0.067 0.000 0.894 370 L HN 0.213 nan 8.230 nan 0.000 0.432 371 S N -0.676 115.114 115.700 0.149 0.000 2.359 371 S HA -0.196 4.274 4.470 0.000 0.000 0.224 371 S C 2.073 176.861 174.600 0.314 0.000 1.035 371 S CA 1.777 60.112 58.200 0.225 0.000 1.018 371 S CB -0.437 62.909 63.200 0.244 0.000 0.876 371 S HN 0.480 nan 8.310 nan 0.000 0.448 372 I N 1.359 122.122 120.570 0.321 0.000 2.163 372 I HA -0.217 3.953 4.170 0.000 0.000 0.243 372 I C 2.671 179.119 176.117 0.552 0.000 1.085 372 I CA 1.287 62.813 61.300 0.376 0.000 1.347 372 I CB -0.480 37.634 38.000 0.189 0.000 1.044 372 I HN 0.382 nan 8.210 nan 0.000 0.408 373 A N -0.330 122.787 122.820 0.496 0.000 2.067 373 A HA -0.215 4.105 4.320 0.000 0.000 0.219 373 A C 2.174 179.904 177.584 0.244 0.000 1.158 373 A CA 1.367 53.714 52.037 0.516 0.000 0.661 373 A CB -0.384 18.900 19.000 0.473 0.000 0.801 373 A HN 0.513 nan 8.150 nan 0.000 0.452 374 Q N -1.100 118.758 119.800 0.096 0.000 2.250 374 Q HA 0.023 4.363 4.340 0.000 0.000 0.200 374 Q C -0.216 175.625 176.000 -0.265 0.000 0.941 374 Q CA 0.522 56.212 55.803 -0.189 0.000 0.872 374 Q CB 0.201 28.670 28.738 -0.450 0.000 0.965 374 Q HN 0.714 nan 8.270 nan 0.000 0.480 375 H N -0.509 118.695 119.070 0.224 0.000 2.595 375 H HA 0.192 4.748 4.556 0.000 0.000 0.313 375 H C -1.437 174.033 175.328 0.236 0.000 1.023 375 H CA -0.598 55.558 56.048 0.180 0.000 1.218 375 H CB 0.326 30.190 29.762 0.170 0.000 1.403 375 H HN 0.048 nan 8.280 nan 0.000 0.477 376 F N 2.249 122.106 119.950 -0.156 0.000 2.399 376 F HA 0.600 5.127 4.527 0.000 0.000 0.334 376 F C -0.023 175.538 175.800 -0.398 0.000 1.097 376 F CA -0.281 57.258 58.000 -0.769 0.000 1.076 376 F CB 1.609 39.975 39.000 -1.056 0.000 1.162 376 F HN 0.545 nan 8.300 nan 0.000 0.495 377 G N 2.265 110.182 108.800 -1.471 0.000 2.753 377 G HA2 0.483 4.443 3.960 0.000 0.000 0.297 377 G HA3 0.483 4.443 3.960 0.000 0.000 0.297 377 G C -1.898 172.375 174.900 -1.045 0.000 1.430 377 G CA -0.760 43.811 45.100 -0.882 0.000 1.040 377 G HN 0.764 nan 8.290 nan 0.000 0.530 378 S N 0.978 116.294 115.700 -0.639 0.000 2.382 378 S HA 0.564 5.034 4.470 0.000 0.000 0.228 378 S C 0.908 175.389 174.600 -0.199 0.000 0.996 378 S CA 0.860 58.826 58.200 -0.390 0.000 1.094 378 S CB -0.052 62.983 63.200 -0.275 0.000 1.209 378 S HN 2.637 nan 8.310 nan 0.000 0.420 379 G N 4.291 112.997 108.800 -0.157 0.000 2.620 379 G HA2 -0.315 3.645 3.960 0.000 0.000 0.315 379 G HA3 -0.315 3.645 3.960 0.000 0.000 0.315 379 G C 1.240 176.127 174.900 -0.021 0.000 1.179 379 G CA 0.686 45.758 45.100 -0.048 0.000 0.971 379 G HN 1.769 nan 8.290 nan 0.000 0.544 380 A N -0.381 122.446 122.820 0.011 0.000 1.970 380 A HA 0.457 4.777 4.320 0.000 0.000 0.216 380 A C 1.580 179.172 177.584 0.013 0.000 1.170 380 A CA 1.821 53.869 52.037 0.017 0.000 0.645 380 A CB -0.223 18.796 19.000 0.033 0.000 0.816 380 A HN 0.603 nan 8.150 nan 0.000 0.447 381 M N 0.494 120.108 119.600 0.023 0.000 2.219 381 M HA 0.352 4.832 4.480 0.000 0.000 0.353 381 M C -1.097 175.223 176.300 0.032 0.000 1.304 381 M CA 0.049 55.384 55.300 0.058 0.000 1.115 381 M CB 0.498 33.187 32.600 0.149 0.000 1.664 381 M HN 0.046 nan 8.290 nan 0.000 0.459 382 L N 4.096 125.360 121.223 0.069 0.000 2.482 382 L HA 0.390 4.730 4.340 0.000 0.000 0.269 382 L C -1.161 175.794 176.870 0.142 0.000 0.967 382 L CA -0.241 54.636 54.840 0.063 0.000 0.851 382 L CB 1.318 43.390 42.059 0.021 0.000 1.242 382 L HN 0.751 nan 8.230 nan 0.000 0.404 383 H N 1.692 120.789 119.070 0.045 0.000 2.840 383 H HA 0.611 5.167 4.556 0.000 0.000 0.340 383 H C -1.368 173.931 175.328 -0.048 0.000 1.004 383 H CA -0.384 55.627 56.048 -0.061 0.000 1.288 383 H CB 1.336 30.948 29.762 -0.250 0.000 1.607 383 H HN 0.459 nan 8.280 nan 0.000 0.522 384 D N 3.361 123.482 120.400 -0.464 0.000 2.163 384 D HA 0.378 5.018 4.640 0.000 0.000 0.248 384 D C -0.576 175.439 176.300 -0.475 0.000 1.035 384 D CA -0.405 53.400 54.000 -0.324 0.000 0.872 384 D CB 2.280 43.002 40.800 -0.131 0.000 1.183 384 D HN 0.221 nan 8.370 nan 0.000 0.445 385 V N 2.212 121.967 119.914 -0.265 0.000 2.357 385 V HA 0.252 4.372 4.120 0.000 0.000 0.281 385 V C -0.378 175.642 176.094 -0.122 0.000 1.015 385 V CA -0.737 61.467 62.300 -0.159 0.000 0.827 385 V CB 1.674 33.465 31.823 -0.054 0.000 1.018 385 V HN 0.281 nan 8.190 nan 0.000 0.432 386 V N 5.738 125.589 119.914 -0.105 0.000 2.293 386 V HA 0.419 4.539 4.120 0.000 0.000 0.275 386 V C 0.257 176.322 176.094 -0.048 0.000 1.021 386 V CA -0.527 61.726 62.300 -0.078 0.000 0.815 386 V CB 1.297 33.075 31.823 -0.074 0.000 1.025 386 V HN 0.697 nan 8.190 nan 0.000 0.448 387 M N 3.164 122.745 119.600 -0.032 0.000 2.243 387 M HA 0.493 4.973 4.480 0.000 0.000 0.341 387 M C 1.124 177.408 176.300 -0.026 0.000 1.130 387 M CA 1.071 56.356 55.300 -0.025 0.000 1.162 387 M CB 0.290 32.884 32.600 -0.011 0.000 1.497 387 M HN 0.932 nan 8.290 nan 0.000 0.456 388 G N 1.468 110.246 108.800 -0.036 0.000 2.553 388 G HA2 -0.160 3.800 3.960 0.000 0.000 0.242 388 G HA3 -0.160 3.800 3.960 0.000 0.000 0.242 388 G C -0.285 174.596 174.900 -0.031 0.000 1.277 388 G CA -0.247 44.830 45.100 -0.038 0.000 0.910 388 G HN 1.221 nan 8.290 nan 0.000 0.576 389 V N -0.645 119.255 119.914 -0.023 0.000 2.655 389 V HA 0.462 4.582 4.120 0.000 0.000 0.300 389 V C -0.045 176.039 176.094 -0.015 0.000 1.044 389 V CA 0.098 62.387 62.300 -0.019 0.000 1.095 389 V CB 0.973 32.787 31.823 -0.015 0.000 0.952 389 V HN 0.763 nan 8.190 nan 0.000 0.485 390 P HA -0.128 nan 4.420 nan 0.000 0.221 390 P C 1.049 178.346 177.300 -0.005 0.000 1.145 390 P CA 1.296 64.388 63.100 -0.013 0.000 0.795 390 P CB 0.275 31.967 31.700 -0.013 0.000 0.775 391 E N -0.346 119.852 120.200 -0.004 0.000 2.409 391 E HA -0.106 4.244 4.350 0.000 0.000 0.198 391 E C 1.628 178.234 176.600 0.010 0.000 1.024 391 E CA 0.491 56.892 56.400 0.001 0.000 0.861 391 E CB -0.874 28.824 29.700 -0.004 0.000 0.788 391 E HN 0.261 nan 8.360 nan 0.000 0.521 392 N N 0.084 118.789 118.700 0.009 0.000 2.459 392 N HA -0.072 4.668 4.740 0.000 0.000 0.181 392 N C 0.217 175.739 175.510 0.020 0.000 1.046 392 N CA 0.188 53.248 53.050 0.017 0.000 0.904 392 N CB -0.036 38.457 38.487 0.010 0.000 0.964 392 N HN 0.080 nan 8.380 nan 0.000 0.444 393 V N 2.409 122.333 119.914 0.018 0.000 2.509 393 V HA -0.038 4.082 4.120 0.000 0.000 0.297 393 V C 0.186 176.334 176.094 0.089 0.000 1.014 393 V CA 0.155 62.478 62.300 0.038 0.000 1.127 393 V CB -0.272 31.583 31.823 0.054 0.000 0.925 393 V HN 0.048 nan 8.190 nan 0.000 0.480 394 L N 5.968 127.275 121.223 0.140 0.000 2.400 394 L HA 0.498 4.838 4.340 0.000 0.000 0.264 394 L C 0.291 177.305 176.870 0.240 0.000 1.061 394 L CA -0.930 54.002 54.840 0.153 0.000 0.799 394 L CB 1.095 43.222 42.059 0.113 0.000 1.240 394 L HN 0.494 nan 8.230 nan 0.000 0.461 395 Q N 2.077 121.943 119.800 0.110 0.000 2.364 395 Q HA 0.187 4.527 4.340 0.000 0.000 0.267 395 Q C -2.176 173.859 176.000 0.058 0.000 0.999 395 Q CA -1.494 54.339 55.803 0.050 0.000 0.886 395 Q CB 0.503 29.253 28.738 0.021 0.000 1.243 395 Q HN 0.247 nan 8.270 nan 0.000 0.415 396 P HA 0.026 nan 4.420 nan 0.000 0.272 396 P C -0.377 177.002 177.300 0.132 0.000 1.230 396 P CA -0.090 62.996 63.100 -0.024 0.000 0.788 396 P CB 0.755 32.341 31.700 -0.190 0.000 0.949 397 T N 0.092 114.777 114.554 0.219 0.000 2.893 397 T HA 0.190 4.540 4.350 0.000 0.000 0.291 397 T C -0.724 174.158 174.700 0.303 0.000 1.028 397 T CA -0.506 61.769 62.100 0.292 0.000 0.995 397 T CB 0.323 69.399 68.868 0.347 0.000 1.051 397 T HN 0.368 nan 8.240 nan 0.000 0.470 398 H N 5.803 125.030 119.070 0.262 0.000 2.819 398 H HA 0.224 4.780 4.556 0.000 0.000 0.303 398 H C -1.640 173.894 175.328 0.344 0.000 1.058 398 H CA -1.696 54.521 56.048 0.281 0.000 1.471 398 H CB 1.841 31.797 29.762 0.323 0.000 1.480 398 H HN 0.424 nan 8.280 nan 0.000 0.517 399 P HA -0.120 nan 4.420 nan 0.000 0.226 399 P C 1.342 178.945 177.300 0.505 0.000 1.153 399 P CA 0.466 63.747 63.100 0.302 0.000 0.777 399 P CB 0.607 32.309 31.700 0.004 0.000 0.794 400 V N -1.525 118.719 119.914 0.550 0.000 2.374 400 V HA -0.128 3.992 4.120 0.000 0.000 0.241 400 V C 2.225 178.567 176.094 0.414 0.000 1.034 400 V CA 1.600 64.084 62.300 0.307 0.000 1.037 400 V CB -1.197 30.600 31.823 -0.045 0.000 0.682 400 V HN -0.019 nan 8.190 nan 0.000 0.463 401 Y N -0.620 120.044 120.300 0.608 0.000 2.503 401 Y HA 0.224 4.774 4.550 0.000 0.000 0.278 401 Y C 1.458 177.594 175.900 0.393 0.000 1.111 401 Y CA 0.351 58.715 58.100 0.440 0.000 1.270 401 Y CB 0.006 38.535 38.460 0.114 0.000 1.063 401 Y HN 0.370 nan 8.280 nan 0.000 0.548 402 N N 0.925 119.922 118.700 0.494 0.000 2.740 402 N HA -0.204 4.536 4.740 0.000 0.000 0.248 402 N C -0.878 174.520 175.510 -0.187 0.000 1.062 402 N CA 0.959 54.075 53.050 0.109 0.000 0.704 402 N CB -1.479 36.841 38.487 -0.278 0.000 0.968 402 N HN 0.626 nan 8.380 nan 0.000 0.547 403 I N -4.298 116.321 120.570 0.080 0.000 3.074 403 I HA 0.748 4.918 4.170 0.000 0.000 0.310 403 I C 0.992 177.251 176.117 0.237 0.000 1.153 403 I CA -0.994 60.353 61.300 0.079 0.000 0.993 403 I CB 1.683 39.725 38.000 0.071 0.000 1.237 403 I HN -0.002 nan 8.210 nan 0.000 0.443 404 G N 2.832 111.772 108.800 0.233 0.000 2.265 404 G HA2 0.254 4.214 3.960 0.000 0.000 0.240 404 G HA3 0.254 4.214 3.960 0.000 0.000 0.240 404 G C -1.878 173.136 174.900 0.191 0.000 1.270 404 G CA -0.683 44.537 45.100 0.200 0.000 0.901 404 G HN 0.621 nan 8.290 nan 0.000 0.507 405 P HA -0.143 nan 4.420 nan 0.000 0.217 405 P C 1.530 178.921 177.300 0.151 0.000 1.148 405 P CA 1.539 64.794 63.100 0.258 0.000 0.828 405 P CB 0.196 32.029 31.700 0.223 0.000 0.783 406 D N -0.374 120.088 120.400 0.103 0.000 2.144 406 D HA -0.173 4.467 4.640 0.000 0.000 0.200 406 D C 1.458 177.795 176.300 0.061 0.000 0.978 406 D CA 1.290 55.332 54.000 0.070 0.000 0.833 406 D CB -0.733 40.098 40.800 0.052 0.000 0.961 406 D HN 0.079 nan 8.370 nan 0.000 0.470 407 K N 0.699 121.138 120.400 0.064 0.000 2.097 407 K HA 0.016 4.336 4.320 0.000 0.000 0.205 407 K C 2.445 179.051 176.600 0.009 0.000 1.050 407 K CA 0.293 56.611 56.287 0.053 0.000 0.938 407 K CB -0.632 31.902 32.500 0.057 0.000 0.718 407 K HN 0.189 nan 8.250 nan 0.000 0.442 408 V N 1.998 121.892 119.914 -0.034 0.000 2.261 408 V HA -0.231 3.889 4.120 0.000 0.000 0.246 408 V C 2.395 178.433 176.094 -0.094 0.000 1.047 408 V CA 1.597 63.793 62.300 -0.173 0.000 1.015 408 V CB -0.459 31.198 31.823 -0.276 0.000 0.642 408 V HN 0.148 nan 8.190 nan 0.000 0.446 409 I N -0.400 120.164 120.570 -0.009 0.000 2.163 409 I HA -0.343 3.827 4.170 0.000 0.000 0.243 409 I C 2.685 178.805 176.117 0.006 0.000 1.085 409 I CA 1.994 63.302 61.300 0.013 0.000 1.347 409 I CB -0.484 37.543 38.000 0.044 0.000 1.044 409 I HN 0.373 nan 8.210 nan 0.000 0.408 410 Q N 0.737 120.554 119.800 0.027 0.000 2.061 410 Q HA -0.247 4.093 4.340 0.000 0.000 0.204 410 Q C 2.374 178.369 176.000 -0.009 0.000 0.984 410 Q CA 2.121 57.953 55.803 0.049 0.000 0.846 410 Q CB -0.134 28.668 28.738 0.107 0.000 0.902 410 Q HN 0.581 nan 8.270 nan 0.000 0.421 411 A N 0.267 123.079 122.820 -0.014 0.000 1.877 411 A HA -0.210 4.110 4.320 0.000 0.000 0.216 411 A C 2.274 179.824 177.584 -0.057 0.000 1.186 411 A CA 2.207 54.155 52.037 -0.148 0.000 0.620 411 A CB -1.310 17.719 19.000 0.048 0.000 0.822 411 A HN 0.675 nan 8.150 nan 0.000 0.443 412 T N -2.712 111.823 114.554 -0.032 0.000 2.684 412 T HA -0.181 4.169 4.350 0.000 0.000 0.267 412 T C 1.822 176.519 174.700 -0.005 0.000 1.036 412 T CA 2.289 64.387 62.100 -0.002 0.000 1.148 412 T CB -1.280 67.569 68.868 -0.032 0.000 0.863 412 T HN 0.331 nan 8.240 nan 0.000 0.436 413 T N 0.751 115.287 114.554 -0.030 0.000 2.720 413 T HA -0.124 4.226 4.350 0.000 0.000 0.268 413 T C 1.724 176.367 174.700 -0.096 0.000 1.037 413 T CA 1.830 63.906 62.100 -0.040 0.000 1.144 413 T CB -0.629 68.227 68.868 -0.020 0.000 0.864 413 T HN 0.789 nan 8.240 nan 0.000 0.444 414 H N 0.240 119.132 119.070 -0.296 0.000 2.321 414 H HA -0.008 4.548 4.556 0.000 0.000 0.300 414 H C 1.769 176.811 175.328 -0.476 0.000 1.087 414 H CA 1.627 57.382 56.048 -0.488 0.000 1.319 414 H CB -0.476 28.710 29.762 -0.959 0.000 1.379 414 H HN 0.412 nan 8.280 nan 0.000 0.501 415 F N -0.152 119.670 119.950 -0.214 0.000 2.325 415 F HA -0.021 4.506 4.527 0.000 0.000 0.299 415 F C 2.130 177.837 175.800 -0.156 0.000 1.090 415 F CA 0.346 58.235 58.000 -0.185 0.000 1.392 415 F CB -0.022 38.914 39.000 -0.107 0.000 1.053 415 F HN 0.136 nan 8.300 nan 0.000 0.521 416 L N -0.244 120.984 121.223 0.009 0.000 2.456 416 L HA -0.196 4.144 4.340 0.000 0.000 0.224 416 L C 2.008 178.845 176.870 -0.054 0.000 1.148 416 L CA 0.980 55.814 54.840 -0.010 0.000 0.825 416 L CB -0.492 41.562 42.059 -0.008 0.000 0.937 416 L HN 0.241 nan 8.230 nan 0.000 0.450 417 Q N -0.369 119.353 119.800 -0.131 0.000 2.311 417 Q HA -0.060 4.280 4.340 0.000 0.000 0.203 417 Q C 0.307 176.243 176.000 -0.106 0.000 0.954 417 Q CA 0.702 56.421 55.803 -0.140 0.000 0.885 417 Q CB 0.197 28.793 28.738 -0.236 0.000 0.963 417 Q HN 0.278 nan 8.270 nan 0.000 0.471 418 K N 1.450 121.797 120.400 -0.087 0.000 2.118 418 K HA 0.230 4.550 4.320 0.000 0.000 0.267 418 K C -2.411 174.192 176.600 0.004 0.000 0.991 418 K CA -2.088 54.182 56.287 -0.027 0.000 0.916 418 K CB 0.846 33.362 32.500 0.027 0.000 1.041 418 K HN -0.120 nan 8.250 nan 0.000 0.455 419 P HA 0.070 nan 4.420 nan 0.000 0.276 419 P C -0.588 176.726 177.300 0.024 0.000 1.244 419 P CA -0.536 62.574 63.100 0.016 0.000 0.801 419 P CB 0.636 32.346 31.700 0.017 0.000 1.006 420 V N 3.711 123.635 119.914 0.016 0.000 2.540 420 V HA 0.029 4.149 4.120 0.000 0.000 0.297 420 V C -1.747 174.353 176.094 0.010 0.000 1.024 420 V CA -0.811 61.492 62.300 0.005 0.000 1.105 420 V CB -0.719 31.100 31.823 -0.007 0.000 0.938 420 V HN 0.594 nan 8.190 nan 0.000 0.482 421 P HA 0.029 nan 4.420 nan 0.000 0.260 421 P C 0.996 178.331 177.300 0.059 0.000 1.172 421 P CA 0.478 63.622 63.100 0.072 0.000 0.760 421 P CB 0.510 32.288 31.700 0.129 0.000 0.773 422 G N 2.616 111.486 108.800 0.117 0.000 2.572 422 G HA2 -0.015 3.945 3.960 0.000 0.000 0.216 422 G HA3 -0.015 3.945 3.960 0.000 0.000 0.216 422 G C 0.376 175.408 174.900 0.219 0.000 1.133 422 G CA -0.133 45.034 45.100 0.112 0.000 0.791 422 G HN 0.542 nan 8.290 nan 0.000 0.538 423 F N 0.000 119.951 119.950 0.002 0.000 2.286 423 F HA 0.000 4.527 4.527 0.000 0.000 0.279 423 F CA 0.000 57.986 58.000 -0.023 0.000 1.383 423 F CB 0.000 38.968 39.000 -0.053 0.000 1.145 423 F HN 0.000 nan 8.300 nan 0.000 0.574