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 1sze_1_B DATA FIRST_RESID 100 DATA SEQUENCE GETKEDIARK EQLKSLLPPL DNIINLYDFE YLASQTLTKQ AWAYYSSGAN DATA SEQUENCE DEVTHRENHN AYHRIFFKPK ILVDVRKVDI STDMLGSHVD VPFYVSATAL DATA SEQUENCE CKLGNPLEGE KDVARGCGQG VTKVPQMIST AASCSPEEII EAAPSDKQIQ DATA SEQUENCE WYQLYVNSDR KITDDLVKNV EKLGVKALFV TVDAPSLGQR EKDMKLKFXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XALSKFIDPS LTWKDIEELK KKTKLPIVIK DATA SEQUENCE GVQRTEDVIK AAEIGVSGVV LSNHGGRQLD FSRAPIEVLA ETMPILEQRN DATA SEQUENCE LKDKLEVFVD GGVRRGTDVL KALCLGAKGV GLGRPFLYAN SCYGRNGVEK DATA SEQUENCE AIEILRDEIE MSMRLLGVTS IAELKPDLLD LSTLKARTVG VPNDVLYNEV DATA SEQUENCE YEGPTLTEFE DA 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 100 G HA2 0.000 nan 3.960 nan 0.000 0.244 100 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 100 G C 0.000 174.904 174.900 0.007 0.000 0.946 100 G CA 0.000 45.108 45.100 0.014 0.000 0.502 101 E N 0.220 120.421 120.200 0.002 0.000 2.257 101 E HA 0.451 4.801 4.350 -0.000 0.000 0.278 101 E C -0.734 175.864 176.600 -0.003 0.000 1.049 101 E CA -0.070 56.328 56.400 -0.003 0.000 0.876 101 E CB 1.073 30.768 29.700 -0.008 0.000 1.035 101 E HN 0.273 nan 8.360 nan 0.000 0.419 102 T N 2.731 117.282 114.554 -0.005 0.000 4.314 102 T HA 0.050 4.400 4.350 -0.000 0.000 0.262 102 T C -0.213 174.484 174.700 -0.006 0.000 0.939 102 T CA -0.789 61.309 62.100 -0.004 0.000 1.179 102 T CB -0.215 68.653 68.868 -0.001 0.000 0.973 102 T HN 0.638 nan 8.240 nan 0.000 0.525 103 K N 1.343 121.738 120.400 -0.008 0.000 3.139 103 K HA -0.290 4.030 4.320 -0.000 0.000 0.261 103 K C 0.297 176.890 176.600 -0.011 0.000 0.895 103 K CA 2.003 58.284 56.287 -0.009 0.000 0.664 103 K CB -1.556 30.940 32.500 -0.007 0.000 1.388 103 K HN 0.563 nan 8.250 nan 0.000 0.472 104 E N -0.837 119.355 120.200 -0.013 0.000 2.712 104 E HA -0.020 4.330 4.350 -0.000 0.000 0.221 104 E C 0.276 176.861 176.600 -0.024 0.000 0.943 104 E CA 0.189 56.579 56.400 -0.017 0.000 1.259 104 E CB -0.096 29.595 29.700 -0.015 0.000 1.167 104 E HN 0.403 nan 8.360 nan 0.000 0.569 105 D N 1.102 121.489 120.400 -0.021 0.000 2.379 105 D HA -0.092 4.548 4.640 -0.000 0.000 0.243 105 D C 0.945 177.230 176.300 -0.025 0.000 1.088 105 D CA 0.292 54.277 54.000 -0.025 0.000 0.925 105 D CB 0.076 40.864 40.800 -0.020 0.000 0.888 105 D HN 0.215 nan 8.370 nan 0.000 0.529 106 I N 0.647 121.203 120.570 -0.023 0.000 2.947 106 I HA 0.108 4.278 4.170 -0.000 0.000 0.263 106 I C 2.496 178.597 176.117 -0.026 0.000 1.130 106 I CA 0.482 61.769 61.300 -0.021 0.000 1.448 106 I CB -1.152 36.838 38.000 -0.016 0.000 1.222 106 I HN 0.076 nan 8.210 nan 0.000 0.453 107 A N 0.975 123.778 122.820 -0.028 0.000 1.940 107 A HA -0.247 4.073 4.320 -0.000 0.000 0.219 107 A C 2.405 179.960 177.584 -0.047 0.000 1.176 107 A CA 1.793 53.810 52.037 -0.034 0.000 0.631 107 A CB -0.507 18.473 19.000 -0.034 0.000 0.814 107 A HN 0.229 nan 8.150 nan 0.000 0.446 108 R N -0.110 120.360 120.500 -0.050 0.000 2.070 108 R HA -0.045 4.295 4.340 -0.000 0.000 0.233 108 R C 2.052 178.316 176.300 -0.059 0.000 1.137 108 R CA 1.628 57.690 56.100 -0.063 0.000 0.945 108 R CB -0.193 30.074 30.300 -0.056 0.000 0.845 108 R HN 0.315 nan 8.270 nan 0.000 0.430 109 K N 0.663 121.037 120.400 -0.044 0.000 2.211 109 K HA -0.079 4.241 4.320 -0.000 0.000 0.203 109 K C 1.774 178.350 176.600 -0.041 0.000 1.050 109 K CA 0.702 56.965 56.287 -0.040 0.000 0.945 109 K CB -0.035 32.447 32.500 -0.029 0.000 0.732 109 K HN 0.288 nan 8.250 nan 0.000 0.451 110 E N 1.150 121.327 120.200 -0.038 0.000 2.035 110 E HA -0.219 4.130 4.350 -0.000 0.000 0.204 110 E C 1.956 178.529 176.600 -0.046 0.000 1.025 110 E CA 1.378 57.756 56.400 -0.036 0.000 0.835 110 E CB 0.142 29.822 29.700 -0.033 0.000 0.764 110 E HN 0.313 nan 8.360 nan 0.000 0.457 111 Q N 0.196 119.959 119.800 -0.062 0.000 2.002 111 Q HA -0.181 4.159 4.340 -0.000 0.000 0.204 111 Q C 2.614 178.561 176.000 -0.089 0.000 0.988 111 Q CA 1.536 57.291 55.803 -0.080 0.000 0.843 111 Q CB -0.718 27.952 28.738 -0.114 0.000 0.908 111 Q HN 0.438 nan 8.270 nan 0.000 0.420 112 L N 0.000 121.165 121.223 -0.098 0.000 2.275 112 L HA 0.119 4.458 4.340 -0.000 0.000 0.215 112 L C 1.442 178.261 176.870 -0.086 0.000 1.119 112 L CA 0.535 55.305 54.840 -0.117 0.000 0.790 112 L CB -0.704 41.281 42.059 -0.124 0.000 0.919 112 L HN -0.070 nan 8.230 nan 0.000 0.443 113 K N 1.793 122.159 120.400 -0.057 0.000 2.351 113 K HA 0.007 4.327 4.320 -0.000 0.000 0.287 113 K C 0.500 177.085 176.600 -0.026 0.000 1.068 113 K CA 0.942 57.208 56.287 -0.035 0.000 0.998 113 K CB 0.611 33.095 32.500 -0.026 0.000 0.968 113 K HN 0.363 nan 8.250 nan 0.000 0.464 114 S N 2.747 118.439 115.700 -0.014 0.000 2.632 114 S HA -0.210 4.260 4.470 -0.000 0.000 0.259 114 S C 1.109 175.716 174.600 0.011 0.000 1.315 114 S CA 1.613 59.818 58.200 0.008 0.000 1.535 114 S CB -0.819 62.387 63.200 0.009 0.000 1.985 114 S HN 0.769 nan 8.310 nan 0.000 0.699 115 L N 0.528 121.746 121.223 -0.009 0.000 2.270 115 L HA 0.152 4.492 4.340 -0.000 0.000 0.210 115 L C 0.936 177.806 176.870 0.000 0.000 1.104 115 L CA 0.320 55.156 54.840 -0.007 0.000 0.804 115 L CB -0.164 41.882 42.059 -0.023 0.000 0.937 115 L HN 0.328 nan 8.230 nan 0.000 0.450 116 L N 2.023 123.235 121.223 -0.019 0.000 2.640 116 L HA -0.035 4.305 4.340 -0.000 0.000 0.280 116 L C -1.906 175.039 176.870 0.125 0.000 1.229 116 L CA -0.691 54.158 54.840 0.015 0.000 0.919 116 L CB -0.300 41.688 42.059 -0.118 0.000 1.168 116 L HN -0.109 nan 8.230 nan 0.000 0.496 117 P HA 0.171 nan 4.420 nan 0.000 0.272 117 P C -2.399 175.006 177.300 0.175 0.000 1.223 117 P CA -1.318 61.864 63.100 0.135 0.000 0.784 117 P CB -0.077 31.680 31.700 0.095 0.000 0.923 118 P HA -0.089 nan 4.420 nan 0.000 0.259 118 P C 1.286 178.571 177.300 -0.024 0.000 1.163 118 P CA 0.400 63.536 63.100 0.060 0.000 0.760 118 P CB 0.205 31.920 31.700 0.025 0.000 0.762 119 L N 3.169 124.331 121.223 -0.101 0.000 2.137 119 L HA -0.209 4.130 4.340 -0.000 0.000 0.213 119 L C 0.704 177.445 176.870 -0.214 0.000 1.085 119 L CA 2.392 57.016 54.840 -0.360 0.000 0.760 119 L CB -0.680 41.199 42.059 -0.301 0.000 0.893 119 L HN 0.463 nan 8.230 nan 0.000 0.434 120 D N -3.063 117.273 120.400 -0.106 0.000 2.538 120 D HA -0.024 4.616 4.640 -0.000 0.000 0.234 120 D C 0.841 177.099 176.300 -0.069 0.000 1.191 120 D CA -0.026 53.929 54.000 -0.076 0.000 0.828 120 D CB -0.651 40.125 40.800 -0.039 0.000 0.981 120 D HN 0.342 nan 8.370 nan 0.000 0.490 121 N N 0.004 118.651 118.700 -0.088 0.000 2.171 121 N HA 0.094 4.834 4.740 -0.000 0.000 0.212 121 N C -0.332 175.111 175.510 -0.111 0.000 1.184 121 N CA -0.400 52.608 53.050 -0.070 0.000 0.888 121 N CB 0.958 39.425 38.487 -0.033 0.000 1.038 121 N HN 0.131 nan 8.380 nan 0.000 0.517 122 I N 1.640 122.095 120.570 -0.191 0.000 2.395 122 I HA 0.155 4.325 4.170 -0.000 0.000 0.289 122 I C 1.165 177.145 176.117 -0.229 0.000 1.023 122 I CA 0.075 61.195 61.300 -0.299 0.000 1.350 122 I CB 1.169 38.812 38.000 -0.595 0.000 1.409 122 I HN 0.027 nan 8.210 nan 0.000 0.507 123 I N 4.465 124.919 120.570 -0.193 0.000 3.194 123 I HA 0.076 4.246 4.170 -0.000 0.000 0.271 123 I C 0.753 176.799 176.117 -0.117 0.000 1.150 123 I CA 0.311 61.540 61.300 -0.118 0.000 1.440 123 I CB 0.093 38.053 38.000 -0.068 0.000 1.276 123 I HN 0.532 nan 8.210 nan 0.000 0.457 124 N N 0.766 119.387 118.700 -0.132 0.000 2.525 124 N HA 0.280 5.020 4.740 -0.000 0.000 0.288 124 N C 0.316 175.718 175.510 -0.179 0.000 1.242 124 N CA -0.617 52.368 53.050 -0.108 0.000 0.905 124 N CB 1.810 40.315 38.487 0.029 0.000 1.258 124 N HN -0.123 nan 8.380 nan 0.000 0.551 125 L N 0.496 121.606 121.223 -0.188 0.000 2.291 125 L HA 0.034 4.374 4.340 -0.000 0.000 0.214 125 L C 1.761 178.571 176.870 -0.101 0.000 1.120 125 L CA 1.240 56.017 54.840 -0.104 0.000 0.799 125 L CB -1.072 40.795 42.059 -0.320 0.000 0.925 125 L HN 0.559 nan 8.230 nan 0.000 0.446 126 Y N -0.603 119.704 120.300 0.012 0.000 2.293 126 Y HA -0.203 4.346 4.550 -0.000 0.000 0.291 126 Y C 2.351 178.272 175.900 0.035 0.000 1.137 126 Y CA 0.718 58.827 58.100 0.015 0.000 1.202 126 Y CB -0.182 38.264 38.460 -0.023 0.000 0.990 126 Y HN 0.189 nan 8.280 nan 0.000 0.537 127 D N -0.092 120.362 120.400 0.089 0.000 2.097 127 D HA -0.161 4.479 4.640 -0.000 0.000 0.195 127 D C 1.913 178.251 176.300 0.062 0.000 0.989 127 D CA 1.307 55.322 54.000 0.026 0.000 0.827 127 D CB -0.527 40.182 40.800 -0.151 0.000 0.966 127 D HN 0.165 nan 8.370 nan 0.000 0.456 128 F N 1.444 121.463 119.950 0.115 0.000 2.065 128 F HA -0.169 4.358 4.527 -0.000 0.000 0.298 128 F C 2.502 178.349 175.800 0.078 0.000 1.112 128 F CA 1.185 59.268 58.000 0.138 0.000 1.212 128 F CB -0.853 38.229 39.000 0.136 0.000 0.975 128 F HN 0.036 nan 8.300 nan 0.000 0.476 129 E N -0.962 119.375 120.200 0.229 0.000 2.085 129 E HA -0.299 4.051 4.350 -0.000 0.000 0.194 129 E C 2.298 178.857 176.600 -0.067 0.000 0.994 129 E CA 1.420 57.756 56.400 -0.107 0.000 0.801 129 E CB -0.487 29.189 29.700 -0.041 0.000 0.743 129 E HN 0.601 nan 8.360 nan 0.000 0.453 130 Y N 0.258 120.527 120.300 -0.051 0.000 2.145 130 Y HA -0.251 4.299 4.550 -0.000 0.000 0.286 130 Y C 1.945 177.762 175.900 -0.139 0.000 1.145 130 Y CA 0.955 58.996 58.100 -0.098 0.000 1.148 130 Y CB -0.060 38.371 38.460 -0.049 0.000 0.981 130 Y HN 0.073 nan 8.280 nan 0.000 0.507 131 L N 0.857 121.914 121.223 -0.277 0.000 2.046 131 L HA -0.187 4.153 4.340 -0.000 0.000 0.208 131 L C 2.783 179.468 176.870 -0.309 0.000 1.077 131 L CA 1.963 56.582 54.840 -0.367 0.000 0.747 131 L CB -1.846 40.175 42.059 -0.063 0.000 0.896 131 L HN 0.434 nan 8.230 nan 0.000 0.432 132 A N -0.817 121.907 122.820 -0.161 0.000 1.972 132 A HA -0.198 4.122 4.320 -0.000 0.000 0.219 132 A C 2.524 179.852 177.584 -0.426 0.000 1.169 132 A CA 1.817 53.793 52.037 -0.101 0.000 0.635 132 A CB -0.764 18.357 19.000 0.201 0.000 0.810 132 A HN 0.556 nan 8.150 nan 0.000 0.446 133 S N -1.092 114.129 115.700 -0.798 0.000 2.382 133 S HA -0.222 4.248 4.470 -0.000 0.000 0.228 133 S C 1.899 175.914 174.600 -0.975 0.000 1.027 133 S CA 1.622 58.904 58.200 -1.530 0.000 0.991 133 S CB -0.337 62.221 63.200 -1.069 0.000 0.823 133 S HN 0.441 nan 8.310 nan 0.000 0.469 134 Q N 1.049 120.466 119.800 -0.638 0.000 2.269 134 Q HA 0.102 4.442 4.340 -0.000 0.000 0.201 134 Q C 2.409 178.213 176.000 -0.327 0.000 0.946 134 Q CA 1.776 57.309 55.803 -0.450 0.000 0.877 134 Q CB -0.602 27.856 28.738 -0.466 0.000 0.963 134 Q HN 0.932 nan 8.270 nan 0.000 0.472 135 T N -3.051 111.326 114.554 -0.296 0.000 3.045 135 T HA 0.229 4.579 4.350 -0.000 0.000 0.239 135 T C 1.045 175.681 174.700 -0.106 0.000 1.008 135 T CA -0.220 61.774 62.100 -0.176 0.000 1.143 135 T CB -0.393 68.385 68.868 -0.151 0.000 0.894 135 T HN 0.054 nan 8.240 nan 0.000 0.451 136 L N 3.402 124.590 121.223 -0.058 0.000 2.489 136 L HA 0.215 4.555 4.340 -0.000 0.000 0.285 136 L C 1.258 178.140 176.870 0.020 0.000 1.259 136 L CA -0.182 54.681 54.840 0.038 0.000 0.828 136 L CB -0.472 41.697 42.059 0.182 0.000 1.094 136 L HN 0.426 nan 8.230 nan 0.000 0.524 137 T N -1.776 112.798 114.554 0.034 0.000 2.856 137 T HA 0.090 4.440 4.350 -0.000 0.000 0.306 137 T C 0.905 175.646 174.700 0.069 0.000 1.062 137 T CA -0.588 61.526 62.100 0.023 0.000 1.083 137 T CB 0.863 69.732 68.868 0.002 0.000 0.984 137 T HN 0.559 nan 8.240 nan 0.000 0.542 138 K N 0.717 121.152 120.400 0.060 0.000 2.160 138 K HA -0.216 4.104 4.320 -0.000 0.000 0.206 138 K C 2.478 179.156 176.600 0.130 0.000 1.047 138 K CA 2.141 58.495 56.287 0.112 0.000 0.930 138 K CB -0.133 32.409 32.500 0.070 0.000 0.720 138 K HN 0.882 nan 8.250 nan 0.000 0.450 139 Q N -0.873 118.958 119.800 0.052 0.000 2.391 139 Q HA 0.165 4.504 4.340 -0.000 0.000 0.211 139 Q C 1.708 177.689 176.000 -0.031 0.000 0.908 139 Q CA 0.784 56.589 55.803 0.003 0.000 0.920 139 Q CB 0.210 28.925 28.738 -0.039 0.000 1.056 139 Q HN 0.142 nan 8.270 nan 0.000 0.523 140 A N 0.761 123.558 122.820 -0.038 0.000 1.929 140 A HA -0.076 4.244 4.320 -0.000 0.000 0.216 140 A C 1.815 179.299 177.584 -0.168 0.000 1.176 140 A CA 0.927 52.850 52.037 -0.191 0.000 0.628 140 A CB -1.214 17.709 19.000 -0.128 0.000 0.816 140 A HN 0.738 nan 8.150 nan 0.000 0.444 141 W N 0.677 121.915 121.300 -0.105 0.000 2.407 141 W HA -0.078 4.582 4.660 -0.000 0.000 0.305 141 W C 2.206 178.747 176.519 0.036 0.000 1.196 141 W CA 1.307 58.663 57.345 0.018 0.000 1.311 141 W CB -0.125 29.349 29.460 0.025 0.000 1.135 141 W HN 0.404 nan 8.180 nan 0.000 0.514 142 A N 0.119 122.892 122.820 -0.077 0.000 1.908 142 A HA -0.321 3.999 4.320 -0.000 0.000 0.218 142 A C 1.828 179.307 177.584 -0.176 0.000 1.181 142 A CA 1.884 53.815 52.037 -0.178 0.000 0.627 142 A CB -1.720 17.255 19.000 -0.042 0.000 0.818 142 A HN 0.606 nan 8.150 nan 0.000 0.445 143 Y N -1.528 118.638 120.300 -0.225 0.000 2.373 143 Y HA -0.161 4.389 4.550 -0.000 0.000 0.293 143 Y C 2.050 177.913 175.900 -0.063 0.000 1.129 143 Y CA 1.614 59.608 58.100 -0.176 0.000 1.226 143 Y CB -0.144 38.187 38.460 -0.216 0.000 1.000 143 Y HN 0.449 nan 8.280 nan 0.000 0.549 144 Y N -0.994 119.155 120.300 -0.253 0.000 2.230 144 Y HA -0.175 4.375 4.550 -0.000 0.000 0.294 144 Y C 2.728 178.389 175.900 -0.397 0.000 1.120 144 Y CA 0.443 58.350 58.100 -0.322 0.000 1.129 144 Y CB -0.161 38.255 38.460 -0.073 0.000 1.040 144 Y HN 0.114 nan 8.280 nan 0.000 0.519 145 S N -0.456 114.990 115.700 -0.424 0.000 2.357 145 S HA -0.109 4.361 4.470 -0.000 0.000 0.221 145 S C 1.053 175.360 174.600 -0.488 0.000 1.031 145 S CA 0.199 58.062 58.200 -0.561 0.000 0.982 145 S CB -0.738 61.742 63.200 -1.200 0.000 0.853 145 S HN 0.140 nan 8.310 nan 0.000 0.458 146 S N 1.413 116.852 115.700 -0.436 0.000 2.890 146 S HA 0.294 4.764 4.470 -0.000 0.000 0.349 146 S C 0.470 174.852 174.600 -0.364 0.000 1.211 146 S CA 0.598 58.599 58.200 -0.332 0.000 0.988 146 S CB -0.337 62.715 63.200 -0.246 0.000 0.666 146 S HN 0.831 nan 8.310 nan 0.000 0.472 147 G N 0.478 109.104 108.800 -0.290 0.000 2.872 147 G HA2 0.708 4.668 3.960 -0.000 0.000 0.285 147 G HA3 0.708 4.668 3.960 -0.000 0.000 0.285 147 G C -0.996 173.835 174.900 -0.114 0.000 1.399 147 G CA -0.238 44.728 45.100 -0.222 0.000 0.897 147 G HN 1.003 nan 8.290 nan 0.000 0.502 148 A N -0.129 122.651 122.820 -0.066 0.000 2.409 148 A HA 0.558 4.878 4.320 -0.000 0.000 0.267 148 A C 0.972 178.535 177.584 -0.036 0.000 1.127 148 A CA 0.696 52.708 52.037 -0.041 0.000 0.795 148 A CB -0.731 18.255 19.000 -0.023 0.000 1.061 148 A HN 1.103 nan 8.150 nan 0.000 0.502 149 N N 1.303 119.991 118.700 -0.019 0.000 1.911 149 N HA -0.248 4.492 4.740 -0.000 0.000 0.160 149 N C 0.134 175.641 175.510 -0.005 0.000 0.585 149 N CA 2.148 55.199 53.050 0.001 0.000 1.293 149 N CB -0.771 37.730 38.487 0.023 0.000 1.355 149 N HN 0.717 nan 8.380 nan 0.000 0.425 150 D N 1.654 122.050 120.400 -0.007 0.000 2.339 150 D HA 0.088 4.727 4.640 -0.000 0.000 0.217 150 D C -0.083 176.196 176.300 -0.034 0.000 1.050 150 D CA 0.523 54.521 54.000 -0.004 0.000 0.856 150 D CB -0.026 40.790 40.800 0.028 0.000 0.922 150 D HN 0.486 nan 8.370 nan 0.000 0.518 151 E N -0.853 119.312 120.200 -0.057 0.000 3.170 151 E HA -0.231 4.119 4.350 -0.000 0.000 0.284 151 E C 1.533 178.103 176.600 -0.050 0.000 0.967 151 E CA 0.488 56.865 56.400 -0.039 0.000 0.919 151 E CB -1.909 27.782 29.700 -0.015 0.000 1.469 151 E HN 0.311 nan 8.360 nan 0.000 0.444 152 V N -1.511 118.294 119.914 -0.181 0.000 2.295 152 V HA -0.272 3.848 4.120 -0.000 0.000 0.246 152 V C 2.054 178.030 176.094 -0.197 0.000 1.049 152 V CA 2.485 64.641 62.300 -0.240 0.000 1.024 152 V CB -0.626 30.922 31.823 -0.459 0.000 0.648 152 V HN 0.300 nan 8.190 nan 0.000 0.447 153 T N -0.101 114.316 114.554 -0.228 0.000 2.708 153 T HA -0.205 4.145 4.350 -0.000 0.000 0.266 153 T C 1.745 176.429 174.700 -0.027 0.000 1.037 153 T CA 2.252 64.279 62.100 -0.121 0.000 1.146 153 T CB -0.577 68.236 68.868 -0.092 0.000 0.865 153 T HN 0.911 nan 8.240 nan 0.000 0.435 154 H N 1.344 120.371 119.070 -0.072 0.000 2.357 154 H HA -0.078 4.478 4.556 -0.000 0.000 0.296 154 H C 2.371 177.695 175.328 -0.006 0.000 1.108 154 H CA 1.832 57.860 56.048 -0.034 0.000 1.273 154 H CB 0.016 29.752 29.762 -0.044 0.000 1.367 154 H HN 0.237 nan 8.280 nan 0.000 0.498 155 R N -0.543 119.906 120.500 -0.085 0.000 2.062 155 R HA -0.064 4.276 4.340 -0.000 0.000 0.226 155 R C 2.381 178.647 176.300 -0.056 0.000 1.125 155 R CA 1.166 57.211 56.100 -0.093 0.000 0.966 155 R CB -0.152 30.149 30.300 0.002 0.000 0.861 155 R HN 0.344 nan 8.270 nan 0.000 0.433 156 E N 1.317 121.485 120.200 -0.055 0.000 2.171 156 E HA -0.214 4.136 4.350 -0.000 0.000 0.197 156 E C 1.406 177.973 176.600 -0.056 0.000 0.997 156 E CA 1.467 57.836 56.400 -0.052 0.000 0.810 156 E CB -0.208 29.460 29.700 -0.053 0.000 0.738 156 E HN 0.152 nan 8.360 nan 0.000 0.467 157 N N -0.346 118.326 118.700 -0.047 0.000 2.061 157 N HA -0.212 4.528 4.740 -0.000 0.000 0.193 157 N C 1.635 177.179 175.510 0.057 0.000 1.030 157 N CA 1.685 54.726 53.050 -0.016 0.000 0.856 157 N CB -0.616 37.862 38.487 -0.015 0.000 1.023 157 N HN 0.451 nan 8.380 nan 0.000 0.424 158 H N 0.401 119.439 119.070 -0.053 0.000 2.294 158 H HA 0.165 4.721 4.556 -0.000 0.000 0.306 158 H C 1.370 176.658 175.328 -0.067 0.000 1.065 158 H CA 1.848 57.888 56.048 -0.012 0.000 1.343 158 H CB -0.436 29.260 29.762 -0.111 0.000 1.396 158 H HN 0.280 nan 8.280 nan 0.000 0.506 159 N N -0.025 118.527 118.700 -0.247 0.000 2.364 159 N HA -0.114 4.626 4.740 -0.000 0.000 0.183 159 N C 1.733 177.087 175.510 -0.260 0.000 1.022 159 N CA 0.585 53.406 53.050 -0.381 0.000 0.883 159 N CB -0.050 38.350 38.487 -0.145 0.000 0.965 159 N HN 0.457 nan 8.380 nan 0.000 0.438 160 A N 0.108 122.816 122.820 -0.186 0.000 2.067 160 A HA -0.100 4.220 4.320 -0.000 0.000 0.219 160 A C 1.389 178.847 177.584 -0.209 0.000 1.158 160 A CA 0.795 52.727 52.037 -0.176 0.000 0.661 160 A CB -0.586 18.293 19.000 -0.201 0.000 0.801 160 A HN 0.320 nan 8.150 nan 0.000 0.452 161 Y N -0.636 119.556 120.300 -0.178 0.000 2.333 161 Y HA -0.190 4.360 4.550 -0.000 0.000 0.290 161 Y C 2.312 178.188 175.900 -0.041 0.000 1.144 161 Y CA 1.722 59.752 58.100 -0.116 0.000 1.228 161 Y CB -0.286 38.093 38.460 -0.135 0.000 0.985 161 Y HN 0.443 nan 8.280 nan 0.000 0.542 162 H N -0.675 118.327 119.070 -0.113 0.000 2.546 162 H HA 0.062 4.618 4.556 -0.000 0.000 0.277 162 H C 1.666 176.972 175.328 -0.037 0.000 1.004 162 H CA 0.494 56.457 56.048 -0.143 0.000 1.231 162 H CB -0.092 29.607 29.762 -0.104 0.000 1.382 162 H HN 0.269 nan 8.280 nan 0.000 0.580 163 R N 0.039 120.597 120.500 0.096 0.000 2.307 163 R HA 0.152 4.492 4.340 -0.000 0.000 0.199 163 R C -0.051 176.324 176.300 0.125 0.000 1.000 163 R CA 0.353 56.518 56.100 0.109 0.000 1.023 163 R CB 0.400 30.722 30.300 0.037 0.000 0.908 163 R HN 0.199 nan 8.270 nan 0.000 0.473 164 I N 0.842 121.434 120.570 0.036 0.000 2.378 164 I HA 0.277 4.446 4.170 -0.000 0.000 0.291 164 I C -0.498 175.499 176.117 -0.201 0.000 0.992 164 I CA -0.649 60.638 61.300 -0.021 0.000 1.154 164 I CB 1.210 39.156 38.000 -0.092 0.000 1.315 164 I HN -0.212 nan 8.210 nan 0.000 0.448 165 F N 4.516 124.299 119.950 -0.277 0.000 2.631 165 F HA 0.607 5.134 4.527 -0.000 0.000 0.350 165 F C -0.364 175.217 175.800 -0.364 0.000 1.080 165 F CA -0.568 57.212 58.000 -0.366 0.000 1.026 165 F CB 1.304 40.211 39.000 -0.155 0.000 1.347 165 F HN 0.085 nan 8.300 nan 0.000 0.501 166 F N 0.161 120.232 119.950 0.202 0.000 2.492 166 F HA 0.517 5.043 4.527 -0.000 0.000 0.327 166 F C -0.394 175.470 175.800 0.106 0.000 1.079 166 F CA -1.281 56.784 58.000 0.108 0.000 0.967 166 F CB 1.620 40.655 39.000 0.057 0.000 1.169 166 F HN 0.088 nan 8.300 nan 0.000 0.472 167 K N 2.954 123.525 120.400 0.284 0.000 2.606 167 K HA 0.355 4.674 4.320 -0.000 0.000 0.196 167 K C -2.719 173.953 176.600 0.120 0.000 1.048 167 K CA -1.645 54.740 56.287 0.163 0.000 1.017 167 K CB 0.654 33.223 32.500 0.116 0.000 1.413 167 K HN 0.192 nan 8.250 nan 0.000 0.568 168 P HA 0.072 nan 4.420 nan 0.000 0.275 168 P C -0.838 176.476 177.300 0.023 0.000 1.227 168 P CA -0.443 62.676 63.100 0.030 0.000 0.781 168 P CB 0.694 32.396 31.700 0.003 0.000 0.906 169 K N 2.716 123.121 120.400 0.007 0.000 2.276 169 K HA 0.361 4.681 4.320 -0.000 0.000 0.283 169 K C 0.396 176.996 176.600 -0.001 0.000 1.044 169 K CA -0.484 55.807 56.287 0.007 0.000 0.944 169 K CB 0.158 32.662 32.500 0.005 0.000 1.012 169 K HN 0.399 nan 8.250 nan 0.000 0.472 170 I N -0.782 119.790 120.570 0.004 0.000 2.822 170 I HA 0.330 4.500 4.170 -0.000 0.000 0.312 170 I C 0.066 176.184 176.117 0.002 0.000 1.011 170 I CA -0.856 60.445 61.300 0.002 0.000 1.105 170 I CB 0.731 38.734 38.000 0.005 0.000 1.291 170 I HN 0.658 nan 8.210 nan 0.000 0.474 171 L N 1.041 122.265 121.223 0.001 0.000 3.512 171 L HA -0.111 4.228 4.340 -0.000 0.000 0.446 171 L C -0.991 175.879 176.870 0.001 0.000 1.290 171 L CA -0.126 54.715 54.840 0.002 0.000 0.871 171 L CB -1.569 40.492 42.059 0.003 0.000 1.767 171 L HN 0.563 nan 8.230 nan 0.000 0.855 172 V N -0.471 119.442 119.914 -0.001 0.000 2.540 172 V HA 0.323 4.443 4.120 -0.000 0.000 0.302 172 V C 0.190 176.283 176.094 -0.002 0.000 1.035 172 V CA -0.533 61.766 62.300 -0.001 0.000 0.873 172 V CB 2.153 33.974 31.823 -0.003 0.000 0.992 172 V HN 0.197 nan 8.190 nan 0.000 0.428 173 D N 3.764 124.164 120.400 -0.001 0.000 2.346 173 D HA 0.118 4.758 4.640 -0.000 0.000 0.260 173 D C 0.563 176.862 176.300 -0.002 0.000 1.252 173 D CA 0.130 54.130 54.000 -0.001 0.000 0.895 173 D CB 1.369 42.169 40.800 0.001 0.000 1.097 173 D HN 0.424 nan 8.370 nan 0.000 0.489 174 V N 2.446 122.358 119.914 -0.004 0.000 3.085 174 V HA 0.286 4.406 4.120 -0.000 0.000 0.345 174 V C 1.907 177.998 176.094 -0.003 0.000 1.397 174 V CA -0.573 61.724 62.300 -0.005 0.000 1.165 174 V CB 0.060 31.876 31.823 -0.011 0.000 1.153 174 V HN 0.430 nan 8.190 nan 0.000 0.495 175 R N 1.539 122.039 120.500 -0.001 0.000 2.117 175 R HA -0.058 4.282 4.340 -0.000 0.000 0.243 175 R C 0.823 177.124 176.300 0.002 0.000 1.143 175 R CA 1.338 57.438 56.100 0.000 0.000 0.968 175 R CB 0.150 30.451 30.300 0.001 0.000 0.863 175 R HN 0.507 nan 8.270 nan 0.000 0.444 176 K N 0.621 121.023 120.400 0.003 0.000 2.323 176 K HA 0.309 4.629 4.320 -0.000 0.000 0.259 176 K C -1.623 174.980 176.600 0.006 0.000 0.947 176 K CA -0.416 55.874 56.287 0.005 0.000 0.819 176 K CB 2.158 34.662 32.500 0.007 0.000 1.109 176 K HN -0.135 nan 8.250 nan 0.000 0.429 177 V N 2.570 122.489 119.914 0.007 0.000 2.876 177 V HA 0.319 4.439 4.120 -0.000 0.000 0.312 177 V C -1.507 174.596 176.094 0.015 0.000 1.085 177 V CA -0.649 61.656 62.300 0.009 0.000 0.945 177 V CB 2.287 34.112 31.823 0.004 0.000 1.017 177 V HN 0.845 nan 8.190 nan 0.000 0.428 178 D N 2.767 123.178 120.400 0.018 0.000 2.686 178 D HA 0.392 5.032 4.640 -0.000 0.000 0.249 178 D C 0.305 176.619 176.300 0.023 0.000 1.260 178 D CA -0.383 53.632 54.000 0.024 0.000 0.910 178 D CB 1.509 42.327 40.800 0.031 0.000 1.323 178 D HN 0.491 nan 8.370 nan 0.000 0.561 179 I N 0.957 121.540 120.570 0.022 0.000 4.018 179 I HA 0.302 4.471 4.170 -0.000 0.000 0.337 179 I C 0.241 176.356 176.117 -0.003 0.000 1.327 179 I CA -0.431 60.882 61.300 0.022 0.000 1.100 179 I CB 0.209 38.233 38.000 0.040 0.000 1.025 179 I HN 0.203 nan 8.210 nan 0.000 0.396 180 S N 0.376 116.065 115.700 -0.019 0.000 2.603 180 S HA 0.629 5.099 4.470 -0.000 0.000 0.268 180 S C 0.156 174.685 174.600 -0.118 0.000 1.317 180 S CA -0.150 57.992 58.200 -0.097 0.000 1.012 180 S CB 1.888 65.043 63.200 -0.075 0.000 0.926 180 S HN 0.396 nan 8.310 nan 0.000 0.539 181 T N -0.302 114.110 114.554 -0.236 0.000 2.648 181 T HA 0.430 4.780 4.350 -0.000 0.000 0.304 181 T C -2.391 172.165 174.700 -0.239 0.000 1.312 181 T CA -0.461 61.542 62.100 -0.162 0.000 1.023 181 T CB 1.201 70.047 68.868 -0.038 0.000 1.612 181 T HN 0.954 nan 8.240 nan 0.000 0.487 182 D N 0.650 121.014 120.400 -0.060 0.000 2.256 182 D HA 0.596 5.236 4.640 -0.000 0.000 0.240 182 D C -0.726 175.638 176.300 0.107 0.000 1.062 182 D CA -0.471 53.542 54.000 0.021 0.000 0.832 182 D CB 0.843 41.692 40.800 0.081 0.000 1.135 182 D HN 0.393 nan 8.370 nan 0.000 0.484 183 M N 3.431 123.150 119.600 0.198 0.000 2.142 183 M HA 0.324 4.804 4.480 -0.000 0.000 0.299 183 M C -1.174 175.378 176.300 0.420 0.000 0.960 183 M CA -1.090 54.441 55.300 0.387 0.000 0.920 183 M CB 1.760 34.757 32.600 0.661 0.000 1.541 183 M HN 0.434 nan 8.290 nan 0.000 0.429 184 L N 3.820 125.240 121.223 0.328 0.000 3.453 184 L HA -0.198 4.142 4.340 -0.000 0.000 0.650 184 L C 0.893 177.900 176.870 0.229 0.000 1.276 184 L CA 1.807 56.809 54.840 0.269 0.000 1.063 184 L CB -1.597 40.645 42.059 0.305 0.000 1.664 184 L HN 1.139 nan 8.230 nan 0.000 0.878 185 G N -0.292 108.602 108.800 0.156 0.000 4.825 185 G HA2 -0.393 3.566 3.960 -0.000 0.000 0.224 185 G HA3 -0.393 3.566 3.960 -0.000 0.000 0.224 185 G C 0.703 175.682 174.900 0.133 0.000 1.356 185 G CA 0.496 45.671 45.100 0.126 0.000 0.966 185 G HN 0.931 nan 8.290 nan 0.000 0.690 186 S N 1.614 117.405 115.700 0.150 0.000 2.587 186 S HA 0.435 4.905 4.470 -0.000 0.000 0.260 186 S C 0.128 174.819 174.600 0.151 0.000 1.353 186 S CA 0.349 58.624 58.200 0.125 0.000 0.995 186 S CB 0.704 63.949 63.200 0.075 0.000 0.912 186 S HN 0.827 nan 8.310 nan 0.000 0.568 187 H N 0.763 119.850 119.070 0.028 0.000 2.505 187 H HA 0.569 5.125 4.556 -0.000 0.000 0.338 187 H C -1.043 174.280 175.328 -0.008 0.000 1.057 187 H CA -0.753 55.308 56.048 0.022 0.000 1.202 187 H CB 0.776 30.546 29.762 0.014 0.000 1.466 187 H HN 0.407 nan 8.280 nan 0.000 0.499 188 V N 2.117 121.801 119.914 -0.384 0.000 2.815 188 V HA 0.292 4.412 4.120 -0.000 0.000 0.314 188 V C 0.629 176.542 176.094 -0.301 0.000 1.064 188 V CA -0.849 61.305 62.300 -0.243 0.000 0.952 188 V CB 2.074 33.795 31.823 -0.171 0.000 1.020 188 V HN 0.659 nan 8.190 nan 0.000 0.439 189 D N 1.152 121.450 120.400 -0.170 0.000 2.144 189 D HA -0.012 4.627 4.640 -0.000 0.000 0.200 189 D C 0.910 177.122 176.300 -0.146 0.000 0.978 189 D CA 1.953 55.883 54.000 -0.117 0.000 0.833 189 D CB 0.304 41.048 40.800 -0.093 0.000 0.961 189 D HN 0.735 nan 8.370 nan 0.000 0.470 190 V N -2.524 117.248 119.914 -0.237 0.000 3.166 190 V HA 0.531 4.651 4.120 -0.000 0.000 0.317 190 V C -2.427 173.562 176.094 -0.175 0.000 1.136 190 V CA -1.639 60.503 62.300 -0.265 0.000 1.035 190 V CB 2.024 33.444 31.823 -0.672 0.000 1.110 190 V HN -0.247 nan 8.190 nan 0.000 0.450 191 P HA 0.286 nan 4.420 nan 0.000 0.263 191 P C -0.530 176.911 177.300 0.235 0.000 1.448 191 P CA 0.082 63.242 63.100 0.101 0.000 0.983 191 P CB -0.446 31.332 31.700 0.130 0.000 1.481 192 F N -0.038 119.989 119.950 0.129 0.000 2.654 192 F HA 0.807 5.334 4.527 -0.000 0.000 0.334 192 F C -0.863 175.046 175.800 0.181 0.000 1.078 192 F CA -1.938 56.127 58.000 0.108 0.000 0.986 192 F CB 0.877 39.902 39.000 0.041 0.000 1.362 192 F HN -0.129 nan 8.300 nan 0.000 0.498 193 Y N -1.534 119.018 120.300 0.420 0.000 2.638 193 Y HA 0.719 5.269 4.550 -0.000 0.000 0.335 193 Y C -1.848 174.172 175.900 0.199 0.000 1.155 193 Y CA -2.007 56.196 58.100 0.172 0.000 1.046 193 Y CB 0.750 39.281 38.460 0.118 0.000 1.303 193 Y HN 0.568 nan 8.280 nan 0.000 0.460 194 V N 2.240 122.264 119.914 0.184 0.000 2.583 194 V HA 0.384 4.503 4.120 -0.000 0.000 0.287 194 V C 0.249 176.496 176.094 0.255 0.000 1.051 194 V CA -0.081 62.260 62.300 0.069 0.000 1.010 194 V CB 1.045 32.729 31.823 -0.231 0.000 0.988 194 V HN 0.829 nan 8.190 nan 0.000 0.478 195 S N 2.923 118.725 115.700 0.170 0.000 2.681 195 S HA 0.699 5.168 4.470 -0.000 0.000 0.299 195 S C 0.350 174.930 174.600 -0.032 0.000 1.113 195 S CA -0.275 57.992 58.200 0.111 0.000 1.013 195 S CB 1.384 64.626 63.200 0.070 0.000 1.076 195 S HN 1.200 nan 8.310 nan 0.000 0.534 196 A N 3.142 125.895 122.820 -0.111 0.000 2.509 196 A HA 0.326 4.646 4.320 -0.000 0.000 0.282 196 A C 0.322 177.830 177.584 -0.126 0.000 1.159 196 A CA 0.314 52.265 52.037 -0.143 0.000 0.863 196 A CB -1.211 17.665 19.000 -0.207 0.000 1.029 196 A HN 0.689 nan 8.150 nan 0.000 0.542 197 T N 2.168 116.664 114.554 -0.097 0.000 2.771 197 T HA 0.616 4.966 4.350 -0.000 0.000 0.281 197 T C 0.354 175.055 174.700 0.002 0.000 0.982 197 T CA 0.127 62.176 62.100 -0.086 0.000 0.978 197 T CB 1.630 70.394 68.868 -0.173 0.000 0.930 197 T HN 0.993 nan 8.240 nan 0.000 0.447 198 A N 3.586 126.463 122.820 0.096 0.000 2.322 198 A HA 0.632 4.951 4.320 -0.000 0.000 0.269 198 A C 0.783 178.526 177.584 0.264 0.000 1.094 198 A CA -0.590 51.550 52.037 0.171 0.000 0.807 198 A CB -0.101 19.041 19.000 0.235 0.000 1.047 198 A HN 0.993 nan 8.150 nan 0.000 0.487 199 L N 0.830 122.156 121.223 0.172 0.000 3.512 199 L HA -0.177 4.163 4.340 -0.000 0.000 0.446 199 L C 0.870 177.881 176.870 0.235 0.000 1.290 199 L CA 0.313 55.245 54.840 0.154 0.000 0.871 199 L CB -2.242 39.857 42.059 0.067 0.000 1.767 199 L HN 0.942 nan 8.230 nan 0.000 0.855 200 C N -1.248 118.158 119.300 0.177 0.000 2.539 200 C HA -0.023 4.437 4.460 -0.000 0.000 0.271 200 C C 2.197 177.286 174.990 0.164 0.000 1.412 200 C CA -0.066 59.069 59.018 0.195 0.000 1.729 200 C CB -0.505 27.284 27.740 0.082 0.000 1.739 200 C HN 0.478 nan 8.230 nan 0.000 0.570 201 K N 0.902 121.369 120.400 0.111 0.000 2.432 201 K HA 0.107 4.426 4.320 -0.000 0.000 0.196 201 K C 1.620 178.259 176.600 0.065 0.000 1.038 201 K CA 0.622 56.951 56.287 0.071 0.000 0.986 201 K CB -0.043 32.478 32.500 0.036 0.000 0.782 201 K HN 0.568 nan 8.250 nan 0.000 0.485 202 L N -0.597 120.672 121.223 0.077 0.000 2.156 202 L HA -0.094 4.246 4.340 -0.000 0.000 0.208 202 L C 2.272 179.179 176.870 0.062 0.000 1.095 202 L CA 1.328 56.175 54.840 0.012 0.000 0.770 202 L CB -0.312 41.686 42.059 -0.102 0.000 0.914 202 L HN 0.266 nan 8.230 nan 0.000 0.439 203 G N -1.351 107.572 108.800 0.204 0.000 2.570 203 G HA2 -0.110 3.850 3.960 -0.000 0.000 0.209 203 G HA3 -0.110 3.850 3.960 -0.000 0.000 0.209 203 G C 0.588 175.586 174.900 0.164 0.000 1.168 203 G CA -0.122 45.142 45.100 0.273 0.000 0.831 203 G HN 0.150 nan 8.290 nan 0.000 0.564 204 N N 1.156 119.941 118.700 0.142 0.000 2.678 204 N HA 0.334 5.074 4.740 -0.000 0.000 0.231 204 N C -1.776 173.771 175.510 0.062 0.000 1.038 204 N CA -2.115 50.985 53.050 0.082 0.000 0.932 204 N CB 2.004 40.532 38.487 0.068 0.000 1.176 204 N HN -0.085 nan 8.380 nan 0.000 0.511 205 P HA -0.132 nan 4.420 nan 0.000 0.213 205 P C 1.387 178.702 177.300 0.025 0.000 1.170 205 P CA 1.362 64.480 63.100 0.030 0.000 0.898 205 P CB 0.268 31.979 31.700 0.018 0.000 0.787 206 L N -1.305 119.931 121.223 0.022 0.000 2.005 206 L HA -0.080 4.260 4.340 -0.000 0.000 0.207 206 L C 2.176 179.058 176.870 0.020 0.000 1.072 206 L CA 1.636 56.487 54.840 0.018 0.000 0.744 206 L CB -1.347 40.721 42.059 0.015 0.000 0.895 206 L HN -0.097 nan 8.230 nan 0.000 0.433 207 E N 0.262 120.477 120.200 0.023 0.000 2.307 207 E HA 0.147 4.497 4.350 -0.000 0.000 0.195 207 E C 1.503 178.117 176.600 0.024 0.000 0.975 207 E CA 0.713 57.126 56.400 0.021 0.000 0.878 207 E CB -0.110 29.602 29.700 0.020 0.000 0.845 207 E HN 0.440 nan 8.360 nan 0.000 0.488 208 G N 3.211 112.031 108.800 0.033 0.000 2.634 208 G HA2 -0.380 3.580 3.960 -0.000 0.000 0.309 208 G HA3 -0.380 3.580 3.960 -0.000 0.000 0.309 208 G C 0.655 175.569 174.900 0.023 0.000 1.265 208 G CA 0.755 45.878 45.100 0.038 0.000 0.998 208 G HN 0.355 nan 8.290 nan 0.000 0.551 209 E N 1.107 121.319 120.200 0.021 0.000 2.494 209 E HA 0.100 4.449 4.350 -0.000 0.000 0.193 209 E C 1.905 178.503 176.600 -0.003 0.000 1.074 209 E CA 0.858 57.260 56.400 0.003 0.000 0.867 209 E CB 0.155 29.859 29.700 0.007 0.000 0.924 209 E HN 0.671 nan 8.360 nan 0.000 0.502 210 K N 1.031 121.434 120.400 0.004 0.000 2.007 210 K HA -0.098 4.221 4.320 -0.000 0.000 0.206 210 K C 1.430 178.023 176.600 -0.011 0.000 1.047 210 K CA 1.397 57.683 56.287 -0.001 0.000 0.937 210 K CB 0.012 32.515 32.500 0.005 0.000 0.718 210 K HN -0.033 nan 8.250 nan 0.000 0.438 211 D N 0.481 120.878 120.400 -0.005 0.000 2.265 211 D HA -0.123 4.516 4.640 -0.000 0.000 0.208 211 D C 1.672 177.955 176.300 -0.028 0.000 0.977 211 D CA 0.590 54.586 54.000 -0.007 0.000 0.871 211 D CB 0.066 40.871 40.800 0.008 0.000 0.925 211 D HN -0.062 nan 8.370 nan 0.000 0.485 212 V N 0.582 120.471 119.914 -0.041 0.000 2.358 212 V HA -0.192 3.928 4.120 -0.000 0.000 0.246 212 V C 2.457 178.493 176.094 -0.097 0.000 1.047 212 V CA 1.683 63.935 62.300 -0.080 0.000 1.035 212 V CB -0.727 31.044 31.823 -0.086 0.000 0.658 212 V HN 0.202 nan 8.190 nan 0.000 0.452 213 A N -0.105 122.672 122.820 -0.072 0.000 1.930 213 A HA -0.202 4.118 4.320 -0.000 0.000 0.217 213 A C 2.327 179.870 177.584 -0.067 0.000 1.175 213 A CA 1.725 53.718 52.037 -0.075 0.000 0.627 213 A CB -0.436 18.533 19.000 -0.051 0.000 0.815 213 A HN 0.485 nan 8.150 nan 0.000 0.443 214 R N -0.760 119.712 120.500 -0.047 0.000 2.127 214 R HA -0.128 4.212 4.340 -0.000 0.000 0.228 214 R C 2.429 178.700 176.300 -0.048 0.000 1.125 214 R CA 1.697 57.775 56.100 -0.037 0.000 0.904 214 R CB -1.122 29.167 30.300 -0.019 0.000 0.831 214 R HN 0.499 nan 8.270 nan 0.000 0.431 215 G N 0.171 108.941 108.800 -0.050 0.000 2.596 215 G HA2 -0.363 3.597 3.960 -0.000 0.000 0.223 215 G HA3 -0.363 3.597 3.960 -0.000 0.000 0.223 215 G C 1.393 176.242 174.900 -0.085 0.000 1.120 215 G CA 1.465 46.530 45.100 -0.058 0.000 0.752 215 G HN 0.451 nan 8.290 nan 0.000 0.596 216 C N -0.388 118.840 119.300 -0.120 0.000 2.481 216 C HA 0.422 4.882 4.460 -0.000 0.000 0.275 216 C C 2.243 177.160 174.990 -0.123 0.000 1.419 216 C CA 0.608 59.535 59.018 -0.153 0.000 1.773 216 C CB -0.406 27.217 27.740 -0.195 0.000 1.862 216 C HN 0.572 nan 8.230 nan 0.000 0.530 217 G N -0.206 108.540 108.800 -0.091 0.000 5.021 217 G HA2 0.199 4.159 3.960 -0.000 0.000 0.254 217 G HA3 0.199 4.159 3.960 -0.000 0.000 0.254 217 G C 0.764 175.635 174.900 -0.048 0.000 0.932 217 G CA 0.232 45.288 45.100 -0.072 0.000 0.743 217 G HN 0.606 nan 8.290 nan 0.000 0.441 218 Q N -0.412 119.364 119.800 -0.039 0.000 2.398 218 Q HA 0.383 4.722 4.340 -0.000 0.000 0.204 218 Q C 1.032 177.023 176.000 -0.015 0.000 0.932 218 Q CA 0.828 56.617 55.803 -0.023 0.000 0.916 218 Q CB 0.514 29.242 28.738 -0.017 0.000 1.024 218 Q HN 0.255 nan 8.270 nan 0.000 0.504 219 G N -0.150 108.640 108.800 -0.015 0.000 3.107 219 G HA2 0.362 4.322 3.960 -0.000 0.000 0.232 219 G HA3 0.362 4.322 3.960 -0.000 0.000 0.232 219 G C 0.410 175.304 174.900 -0.011 0.000 1.339 219 G CA -0.195 44.902 45.100 -0.006 0.000 1.033 219 G HN -0.015 nan 8.290 nan 0.000 0.567 220 V N 0.055 119.967 119.914 -0.003 0.000 2.270 220 V HA -0.020 4.100 4.120 -0.000 0.000 0.245 220 V C 1.763 177.849 176.094 -0.013 0.000 1.043 220 V CA 1.745 64.042 62.300 -0.005 0.000 1.014 220 V CB -0.724 31.100 31.823 0.003 0.000 0.645 220 V HN 0.553 nan 8.190 nan 0.000 0.447 221 T N 0.978 115.525 114.554 -0.012 0.000 2.907 221 T HA 0.319 4.669 4.350 -0.000 0.000 0.298 221 T C -0.101 174.561 174.700 -0.064 0.000 1.017 221 T CA 0.021 62.102 62.100 -0.032 0.000 1.118 221 T CB 0.751 69.611 68.868 -0.014 0.000 0.948 221 T HN 0.208 nan 8.240 nan 0.000 0.531 222 K N 2.636 122.978 120.400 -0.097 0.000 2.507 222 K HA 0.526 4.846 4.320 -0.000 0.000 0.253 222 K C -1.080 175.403 176.600 -0.196 0.000 0.969 222 K CA -0.432 55.781 56.287 -0.124 0.000 0.908 222 K CB 1.277 33.721 32.500 -0.094 0.000 1.127 222 K HN 0.306 nan 8.250 nan 0.000 0.437 223 V N 4.657 124.432 119.914 -0.233 0.000 2.547 223 V HA 0.442 4.562 4.120 -0.000 0.000 0.299 223 V C -2.136 173.774 176.094 -0.306 0.000 1.040 223 V CA -2.373 59.740 62.300 -0.313 0.000 0.913 223 V CB 1.346 32.972 31.823 -0.328 0.000 0.992 223 V HN 0.609 nan 8.190 nan 0.000 0.449 224 P HA 0.248 nan 4.420 nan 0.000 0.272 224 P C -1.083 176.004 177.300 -0.356 0.000 1.230 224 P CA -0.323 62.455 63.100 -0.536 0.000 0.788 224 P CB 0.417 31.521 31.700 -0.994 0.000 0.949 225 Q N 1.781 121.363 119.800 -0.364 0.000 2.275 225 Q HA 0.517 4.856 4.340 -0.000 0.000 0.266 225 Q C -1.171 174.770 176.000 -0.099 0.000 1.002 225 Q CA -0.696 54.997 55.803 -0.184 0.000 0.761 225 Q CB 1.050 29.687 28.738 -0.168 0.000 1.255 225 Q HN 0.293 nan 8.270 nan 0.000 0.446 226 M N 4.564 124.141 119.600 -0.038 0.000 2.217 226 M HA 0.394 4.874 4.480 -0.000 0.000 0.354 226 M C -1.284 174.968 176.300 -0.079 0.000 1.225 226 M CA 0.154 55.414 55.300 -0.067 0.000 1.137 226 M CB 0.594 33.066 32.600 -0.213 0.000 1.576 226 M HN 0.664 nan 8.290 nan 0.000 0.461 227 I N 3.269 123.786 120.570 -0.087 0.000 2.362 227 I HA 0.239 4.409 4.170 -0.000 0.000 0.289 227 I C 0.031 175.978 176.117 -0.284 0.000 0.994 227 I CA -0.642 60.600 61.300 -0.097 0.000 1.158 227 I CB 1.776 39.823 38.000 0.078 0.000 1.315 227 I HN 0.598 nan 8.210 nan 0.000 0.451 228 S N 3.205 118.800 115.700 -0.174 0.000 2.549 228 S HA 0.021 4.491 4.470 -0.000 0.000 0.286 228 S C 1.397 175.894 174.600 -0.173 0.000 1.314 228 S CA -0.080 58.016 58.200 -0.173 0.000 1.062 228 S CB 0.777 63.955 63.200 -0.037 0.000 0.865 228 S HN 0.719 nan 8.310 nan 0.000 0.498 229 T N 3.982 118.417 114.554 -0.198 0.000 2.833 229 T HA -0.053 4.297 4.350 -0.000 0.000 0.269 229 T C 0.957 175.746 174.700 0.148 0.000 1.054 229 T CA 1.369 63.491 62.100 0.037 0.000 1.135 229 T CB -0.148 68.795 68.868 0.126 0.000 0.869 229 T HN 0.682 nan 8.240 nan 0.000 0.466 230 A N 1.251 124.148 122.820 0.128 0.000 3.215 230 A HA 0.711 5.031 4.320 -0.000 0.000 0.269 230 A C 0.513 178.137 177.584 0.066 0.000 1.517 230 A CA -0.555 51.529 52.037 0.078 0.000 1.221 230 A CB -0.551 18.485 19.000 0.061 0.000 1.160 230 A HN 0.411 nan 8.150 nan 0.000 0.620 231 A N 0.014 122.876 122.820 0.070 0.000 2.363 231 A HA 0.504 4.824 4.320 -0.000 0.000 0.270 231 A C 1.333 178.951 177.584 0.057 0.000 1.121 231 A CA 0.004 52.079 52.037 0.063 0.000 0.800 231 A CB 0.314 19.360 19.000 0.077 0.000 1.052 231 A HN 0.502 nan 8.150 nan 0.000 0.493 232 S N 0.383 116.113 115.700 0.049 0.000 2.440 232 S HA -0.105 4.365 4.470 -0.000 0.000 0.238 232 S C 0.707 175.330 174.600 0.039 0.000 1.010 232 S CA 0.837 59.059 58.200 0.036 0.000 0.972 232 S CB -0.478 62.745 63.200 0.039 0.000 0.774 232 S HN 0.790 nan 8.310 nan 0.000 0.501 233 C N 1.631 120.959 119.300 0.047 0.000 2.401 233 C HA 0.655 5.115 4.460 -0.000 0.000 0.356 233 C C 0.855 175.883 174.990 0.064 0.000 1.192 233 C CA -1.356 57.690 59.018 0.047 0.000 2.028 233 C CB 1.270 29.035 27.740 0.040 0.000 2.344 233 C HN 0.515 nan 8.230 nan 0.000 0.525 234 S N 1.575 117.309 115.700 0.056 0.000 2.592 234 S HA 0.220 4.689 4.470 -0.000 0.000 0.271 234 S C -1.958 172.685 174.600 0.072 0.000 1.326 234 S CA -0.580 57.658 58.200 0.063 0.000 1.024 234 S CB 0.423 63.647 63.200 0.040 0.000 0.921 234 S HN 0.589 nan 8.310 nan 0.000 0.527 235 P HA -0.238 nan 4.420 nan 0.000 0.216 235 P C 1.664 178.985 177.300 0.034 0.000 1.157 235 P CA 1.678 64.828 63.100 0.083 0.000 0.880 235 P CB -0.088 31.602 31.700 -0.018 0.000 0.791 236 E N 0.421 120.627 120.200 0.010 0.000 2.038 236 E HA -0.236 4.114 4.350 -0.000 0.000 0.195 236 E C 1.907 178.513 176.600 0.009 0.000 1.000 236 E CA 1.212 57.613 56.400 0.002 0.000 0.803 236 E CB -1.265 28.432 29.700 -0.005 0.000 0.750 236 E HN 0.344 nan 8.360 nan 0.000 0.448 237 E N 0.732 120.942 120.200 0.016 0.000 2.086 237 E HA -0.213 4.137 4.350 -0.000 0.000 0.205 237 E C 2.319 178.927 176.600 0.013 0.000 1.027 237 E CA 1.505 57.914 56.400 0.015 0.000 0.830 237 E CB -0.266 29.447 29.700 0.022 0.000 0.751 237 E HN 0.306 nan 8.360 nan 0.000 0.456 238 I N 0.660 121.242 120.570 0.019 0.000 2.113 238 I HA -0.300 3.870 4.170 -0.000 0.000 0.238 238 I C 2.478 178.596 176.117 0.002 0.000 1.070 238 I CA 1.077 62.385 61.300 0.014 0.000 1.332 238 I CB -0.164 37.853 38.000 0.029 0.000 1.044 238 I HN 0.090 nan 8.210 nan 0.000 0.402 239 I N 0.565 121.138 120.570 0.005 0.000 2.423 239 I HA -0.301 3.868 4.170 -0.000 0.000 0.254 239 I C 2.451 178.561 176.117 -0.012 0.000 1.151 239 I CA 1.702 62.999 61.300 -0.005 0.000 1.421 239 I CB -0.278 37.722 38.000 -0.001 0.000 1.079 239 I HN 0.427 nan 8.210 nan 0.000 0.431 240 E N 0.810 121.005 120.200 -0.008 0.000 2.364 240 E HA 0.013 4.362 4.350 -0.000 0.000 0.196 240 E C 2.065 178.658 176.600 -0.010 0.000 0.990 240 E CA 0.715 57.109 56.400 -0.010 0.000 0.886 240 E CB -0.110 29.587 29.700 -0.007 0.000 0.866 240 E HN 0.329 nan 8.360 nan 0.000 0.493 241 A N 1.867 124.682 122.820 -0.009 0.000 2.070 241 A HA 0.134 4.454 4.320 -0.000 0.000 0.220 241 A C 1.568 179.141 177.584 -0.018 0.000 1.159 241 A CA 0.810 52.841 52.037 -0.010 0.000 0.656 241 A CB -0.646 18.350 19.000 -0.007 0.000 0.800 241 A HN 0.413 nan 8.150 nan 0.000 0.453 242 A N 0.523 123.329 122.820 -0.024 0.000 2.566 242 A HA 0.377 4.697 4.320 -0.000 0.000 0.245 242 A C -1.243 176.324 177.584 -0.030 0.000 1.056 242 A CA -0.404 51.612 52.037 -0.035 0.000 0.757 242 A CB -0.094 18.881 19.000 -0.041 0.000 0.979 242 A HN 0.256 nan 8.150 nan 0.000 0.508 243 P HA 0.118 nan 4.420 nan 0.000 0.255 243 P C -0.212 177.071 177.300 -0.029 0.000 1.301 243 P CA 0.712 63.796 63.100 -0.026 0.000 0.817 243 P CB 0.252 31.938 31.700 -0.023 0.000 1.259 244 S N -0.930 114.748 115.700 -0.036 0.000 2.548 244 S HA 0.269 4.739 4.470 -0.000 0.000 0.278 244 S C -0.259 174.317 174.600 -0.041 0.000 1.150 244 S CA -0.609 57.569 58.200 -0.036 0.000 0.907 244 S CB 0.868 64.044 63.200 -0.039 0.000 1.108 244 S HN -0.327 nan 8.310 nan 0.000 0.459 245 D N 2.464 122.844 120.400 -0.034 0.000 2.317 245 D HA 0.129 4.769 4.640 -0.000 0.000 0.211 245 D C 1.482 177.759 176.300 -0.038 0.000 0.966 245 D CA 0.759 54.740 54.000 -0.033 0.000 0.876 245 D CB 0.166 40.952 40.800 -0.024 0.000 0.927 245 D HN 0.583 nan 8.370 nan 0.000 0.519 246 K N 0.395 120.771 120.400 -0.040 0.000 2.155 246 K HA -0.048 4.271 4.320 -0.000 0.000 0.203 246 K C 0.856 177.416 176.600 -0.066 0.000 1.052 246 K CA 0.246 56.508 56.287 -0.042 0.000 0.948 246 K CB 0.091 32.571 32.500 -0.033 0.000 0.728 246 K HN 0.297 nan 8.250 nan 0.000 0.448 247 Q N 2.083 121.833 119.800 -0.082 0.000 2.262 247 Q HA 0.038 4.378 4.340 -0.000 0.000 0.272 247 Q C -0.304 175.603 176.000 -0.156 0.000 1.076 247 Q CA -0.086 55.643 55.803 -0.124 0.000 0.905 247 Q CB 0.415 29.080 28.738 -0.122 0.000 1.182 247 Q HN 0.257 nan 8.270 nan 0.000 0.390 248 I N 2.225 122.661 120.570 -0.224 0.000 2.575 248 I HA 0.109 4.279 4.170 -0.000 0.000 0.285 248 I C -0.711 175.162 176.117 -0.407 0.000 1.085 248 I CA -0.133 60.988 61.300 -0.297 0.000 1.403 248 I CB 1.051 38.835 38.000 -0.360 0.000 1.409 248 I HN 0.800 nan 8.210 nan 0.000 0.557 249 Q N 5.310 124.920 119.800 -0.316 0.000 2.416 249 Q HA 0.559 4.899 4.340 -0.000 0.000 0.279 249 Q C -1.910 174.044 176.000 -0.077 0.000 1.101 249 Q CA -0.546 55.120 55.803 -0.229 0.000 0.830 249 Q CB 2.185 30.884 28.738 -0.066 0.000 1.402 249 Q HN 0.604 nan 8.270 nan 0.000 0.445 250 W N 0.926 122.226 121.300 0.000 0.000 3.274 250 W HA 0.319 4.979 4.660 -0.000 0.000 0.327 250 W C -1.590 174.982 176.519 0.089 0.000 1.172 250 W CA -0.999 56.374 57.345 0.048 0.000 1.217 250 W CB 0.861 30.296 29.460 -0.043 0.000 1.376 250 W HN 0.560 nan 8.180 nan 0.000 0.507 251 Y N 3.458 123.905 120.300 0.245 0.000 2.328 251 Y HA 0.365 4.915 4.550 -0.000 0.000 0.337 251 Y C 0.235 176.196 175.900 0.102 0.000 0.966 251 Y CA -0.638 57.533 58.100 0.119 0.000 1.136 251 Y CB 1.215 39.722 38.460 0.079 0.000 1.170 251 Y HN 0.399 nan 8.280 nan 0.000 0.470 252 Q N 4.706 124.236 119.800 -0.450 0.000 2.230 252 Q HA 0.596 4.936 4.340 -0.000 0.000 0.253 252 Q C -2.340 173.324 176.000 -0.560 0.000 0.919 252 Q CA -0.726 54.855 55.803 -0.370 0.000 0.908 252 Q CB 2.169 30.703 28.738 -0.340 0.000 1.245 252 Q HN 0.708 nan 8.270 nan 0.000 0.437 253 L N 3.456 124.497 121.223 -0.304 0.000 2.439 253 L HA 0.467 4.807 4.340 -0.000 0.000 0.270 253 L C -1.871 174.875 176.870 -0.207 0.000 0.972 253 L CA -0.524 54.246 54.840 -0.115 0.000 0.836 253 L CB 1.574 43.674 42.059 0.068 0.000 1.255 253 L HN 0.738 nan 8.230 nan 0.000 0.404 254 Y N 4.568 124.910 120.300 0.069 0.000 2.425 254 Y HA 0.356 4.906 4.550 -0.000 0.000 0.347 254 Y C 0.376 176.328 175.900 0.088 0.000 0.976 254 Y CA -0.479 57.668 58.100 0.077 0.000 1.190 254 Y CB 1.278 39.797 38.460 0.098 0.000 1.136 254 Y HN 0.411 nan 8.280 nan 0.000 0.517 255 V N 3.727 123.757 119.914 0.194 0.000 2.540 255 V HA 0.075 4.195 4.120 -0.000 0.000 0.297 255 V C 0.197 176.372 176.094 0.135 0.000 1.024 255 V CA -0.430 61.949 62.300 0.131 0.000 1.105 255 V CB 0.189 32.056 31.823 0.074 0.000 0.938 255 V HN 0.860 nan 8.190 nan 0.000 0.482 256 N N 3.996 122.759 118.700 0.105 0.000 2.381 256 N HA 0.263 5.003 4.740 -0.000 0.000 0.254 256 N C 1.227 176.752 175.510 0.026 0.000 1.264 256 N CA 0.360 53.445 53.050 0.060 0.000 0.942 256 N CB 1.318 39.822 38.487 0.027 0.000 1.190 256 N HN 0.836 nan 8.380 nan 0.000 0.495 257 S N -0.585 115.113 115.700 -0.003 0.000 2.414 257 S HA -0.076 4.394 4.470 -0.000 0.000 0.227 257 S C 0.147 174.738 174.600 -0.015 0.000 1.022 257 S CA 0.510 58.703 58.200 -0.010 0.000 0.958 257 S CB -0.020 63.166 63.200 -0.022 0.000 0.797 257 S HN 0.599 nan 8.310 nan 0.000 0.493 258 D N 1.706 122.090 120.400 -0.028 0.000 2.398 258 D HA 0.182 4.822 4.640 -0.000 0.000 0.250 258 D C 0.752 177.048 176.300 -0.006 0.000 1.287 258 D CA -0.096 53.890 54.000 -0.024 0.000 0.992 258 D CB 0.292 41.068 40.800 -0.041 0.000 1.071 258 D HN -0.147 nan 8.370 nan 0.000 0.514 259 R N 2.214 122.714 120.500 0.001 0.000 2.303 259 R HA -0.080 4.260 4.340 -0.000 0.000 0.225 259 R C 1.817 178.122 176.300 0.008 0.000 1.114 259 R CA 0.389 56.494 56.100 0.009 0.000 1.007 259 R CB -0.107 30.199 30.300 0.010 0.000 0.861 259 R HN 0.344 nan 8.270 nan 0.000 0.471 260 K N 0.790 121.191 120.400 0.001 0.000 1.965 260 K HA -0.095 4.225 4.320 -0.000 0.000 0.218 260 K C 1.837 178.439 176.600 0.004 0.000 1.048 260 K CA 1.590 57.877 56.287 -0.000 0.000 0.960 260 K CB -0.367 32.129 32.500 -0.007 0.000 0.732 260 K HN 0.112 nan 8.250 nan 0.000 0.444 261 I N 0.701 121.271 120.570 0.001 0.000 2.335 261 I HA -0.237 3.933 4.170 -0.000 0.000 0.251 261 I C 2.119 178.253 176.117 0.029 0.000 1.129 261 I CA 1.371 62.676 61.300 0.009 0.000 1.402 261 I CB -0.848 37.152 38.000 -0.001 0.000 1.069 261 I HN 0.223 nan 8.210 nan 0.000 0.424 262 T N -0.367 114.209 114.554 0.037 0.000 3.035 262 T HA -0.086 4.264 4.350 -0.000 0.000 0.259 262 T C 1.637 176.361 174.700 0.039 0.000 1.078 262 T CA 0.627 62.761 62.100 0.057 0.000 1.132 262 T CB -0.101 68.808 68.868 0.068 0.000 0.900 262 T HN 0.275 nan 8.240 nan 0.000 0.480 263 D N 1.205 121.619 120.400 0.024 0.000 2.178 263 D HA -0.098 4.542 4.640 -0.000 0.000 0.202 263 D C 1.505 177.808 176.300 0.006 0.000 0.974 263 D CA 0.876 54.885 54.000 0.014 0.000 0.841 263 D CB 0.073 40.879 40.800 0.010 0.000 0.953 263 D HN 0.337 nan 8.370 nan 0.000 0.478 264 D N 0.200 120.603 120.400 0.005 0.000 2.117 264 D HA -0.114 4.526 4.640 -0.000 0.000 0.198 264 D C 2.218 178.509 176.300 -0.015 0.000 0.982 264 D CA 0.252 54.250 54.000 -0.004 0.000 0.828 264 D CB -0.138 40.662 40.800 -0.001 0.000 0.967 264 D HN 0.198 nan 8.370 nan 0.000 0.464 265 L N 0.587 121.805 121.223 -0.007 0.000 2.046 265 L HA -0.132 4.208 4.340 -0.000 0.000 0.208 265 L C 2.460 179.287 176.870 -0.072 0.000 1.077 265 L CA 0.969 55.786 54.840 -0.038 0.000 0.747 265 L CB -0.336 41.736 42.059 0.021 0.000 0.896 265 L HN -0.109 nan 8.230 nan 0.000 0.432 266 V N -0.681 119.219 119.914 -0.023 0.000 2.358 266 V HA -0.295 3.825 4.120 -0.000 0.000 0.246 266 V C 2.445 178.518 176.094 -0.035 0.000 1.047 266 V CA 1.671 63.958 62.300 -0.020 0.000 1.035 266 V CB -0.553 31.276 31.823 0.009 0.000 0.658 266 V HN 0.436 nan 8.190 nan 0.000 0.452 267 K N 0.140 120.524 120.400 -0.027 0.000 2.097 267 K HA -0.195 4.125 4.320 -0.000 0.000 0.206 267 K C 2.135 178.709 176.600 -0.043 0.000 1.049 267 K CA 1.541 57.812 56.287 -0.027 0.000 0.933 267 K CB -0.390 32.100 32.500 -0.017 0.000 0.717 267 K HN 0.504 nan 8.250 nan 0.000 0.442 268 N N 1.239 119.903 118.700 -0.061 0.000 2.084 268 N HA -0.151 4.589 4.740 -0.000 0.000 0.190 268 N C 1.954 177.400 175.510 -0.106 0.000 1.030 268 N CA 1.819 54.822 53.050 -0.077 0.000 0.849 268 N CB 0.164 38.601 38.487 -0.085 0.000 1.012 268 N HN 0.098 nan 8.380 nan 0.000 0.423 269 V N -1.487 118.329 119.914 -0.162 0.000 2.488 269 V HA -0.039 4.081 4.120 -0.000 0.000 0.246 269 V C 2.130 178.171 176.094 -0.087 0.000 1.046 269 V CA 1.356 63.538 62.300 -0.197 0.000 1.053 269 V CB -0.891 30.699 31.823 -0.388 0.000 0.679 269 V HN 0.170 nan 8.190 nan 0.000 0.458 270 E N 0.846 121.012 120.200 -0.056 0.000 2.048 270 E HA -0.331 4.019 4.350 -0.000 0.000 0.202 270 E C 2.264 178.852 176.600 -0.021 0.000 1.021 270 E CA 2.275 58.662 56.400 -0.021 0.000 0.825 270 E CB -0.264 29.426 29.700 -0.016 0.000 0.756 270 E HN 0.634 nan 8.360 nan 0.000 0.454 271 K N -0.166 120.216 120.400 -0.029 0.000 2.360 271 K HA -0.116 4.204 4.320 -0.000 0.000 0.201 271 K C 1.523 178.109 176.600 -0.024 0.000 1.046 271 K CA 0.663 56.936 56.287 -0.024 0.000 0.940 271 K CB 0.071 32.556 32.500 -0.026 0.000 0.748 271 K HN 0.157 nan 8.250 nan 0.000 0.465 272 L N -1.688 119.516 121.223 -0.032 0.000 2.640 272 L HA 0.178 4.518 4.340 -0.000 0.000 0.230 272 L C 1.144 178.004 176.870 -0.015 0.000 1.123 272 L CA 0.316 55.139 54.840 -0.029 0.000 0.900 272 L CB 0.986 43.016 42.059 -0.049 0.000 1.146 272 L HN 0.437 nan 8.230 nan 0.000 0.484 273 G N -0.295 108.501 108.800 -0.006 0.000 2.697 273 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.200 273 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.200 273 G C 0.371 175.287 174.900 0.027 0.000 1.106 273 G CA -0.160 44.943 45.100 0.005 0.000 0.748 273 G HN 0.150 nan 8.290 nan 0.000 0.503 274 V N 1.108 121.049 119.914 0.045 0.000 2.780 274 V HA 0.224 4.344 4.120 -0.000 0.000 0.301 274 V C 1.233 177.410 176.094 0.139 0.000 1.168 274 V CA 1.483 63.849 62.300 0.110 0.000 1.305 274 V CB 0.772 32.690 31.823 0.159 0.000 0.858 274 V HN 0.435 nan 8.190 nan 0.000 0.502 275 K N 3.893 124.420 120.400 0.212 0.000 2.393 275 K HA 0.548 4.867 4.320 -0.000 0.000 0.193 275 K C 0.441 177.191 176.600 0.251 0.000 1.026 275 K CA 0.948 57.361 56.287 0.210 0.000 1.064 275 K CB 0.805 33.423 32.500 0.197 0.000 0.833 275 K HN 1.066 nan 8.250 nan 0.000 0.521 276 A N 0.749 123.761 122.820 0.319 0.000 2.602 276 A HA 0.657 4.977 4.320 -0.000 0.000 0.290 276 A C -1.656 175.950 177.584 0.037 0.000 1.114 276 A CA -0.692 51.373 52.037 0.047 0.000 0.683 276 A CB 1.276 20.102 19.000 -0.290 0.000 1.281 276 A HN 0.084 nan 8.150 nan 0.000 0.416 277 L N 0.748 121.888 121.223 -0.139 0.000 2.356 277 L HA 0.569 4.909 4.340 -0.000 0.000 0.277 277 L C -1.768 174.942 176.870 -0.265 0.000 0.996 277 L CA -0.246 54.555 54.840 -0.065 0.000 0.822 277 L CB 1.441 43.478 42.059 -0.037 0.000 1.256 277 L HN 0.729 nan 8.230 nan 0.000 0.413 278 F N 3.389 123.224 119.950 -0.192 0.000 2.382 278 F HA 0.320 4.847 4.527 -0.000 0.000 0.361 278 F C 0.139 175.817 175.800 -0.202 0.000 1.109 278 F CA -0.596 57.251 58.000 -0.255 0.000 1.031 278 F CB 1.785 40.580 39.000 -0.343 0.000 1.234 278 F HN 0.007 nan 8.300 nan 0.000 0.445 279 V N 3.375 123.261 119.914 -0.046 0.000 2.304 279 V HA 0.168 4.287 4.120 -0.000 0.000 0.262 279 V C 0.279 176.336 176.094 -0.062 0.000 1.061 279 V CA -0.638 61.625 62.300 -0.062 0.000 0.872 279 V CB 0.453 32.242 31.823 -0.055 0.000 1.077 279 V HN 0.688 nan 8.190 nan 0.000 0.480 280 T N 4.324 118.803 114.554 -0.126 0.000 2.867 280 T HA 0.193 4.543 4.350 -0.000 0.000 0.297 280 T C 0.915 175.635 174.700 0.033 0.000 0.989 280 T CA 0.309 62.367 62.100 -0.070 0.000 1.159 280 T CB 1.024 69.752 68.868 -0.234 0.000 0.928 280 T HN 0.796 nan 8.240 nan 0.000 0.538 281 V N -0.249 119.694 119.914 0.049 0.000 3.337 281 V HA 0.274 4.394 4.120 -0.000 0.000 0.307 281 V C 0.747 176.858 176.094 0.029 0.000 1.505 281 V CA -0.217 62.090 62.300 0.012 0.000 1.072 281 V CB 0.244 32.015 31.823 -0.087 0.000 0.929 281 V HN 0.773 nan 8.190 nan 0.000 0.455 282 D N 1.169 121.620 120.400 0.086 0.000 2.395 282 D HA 0.438 5.078 4.640 -0.000 0.000 0.213 282 D C 0.951 177.261 176.300 0.017 0.000 1.110 282 D CA 0.716 54.758 54.000 0.069 0.000 0.835 282 D CB 0.798 41.670 40.800 0.120 0.000 0.965 282 D HN 0.539 nan 8.370 nan 0.000 0.505 283 A N 1.268 124.106 122.820 0.029 0.000 2.812 283 A HA 0.354 4.674 4.320 -0.000 0.000 0.294 283 A C -1.416 176.143 177.584 -0.041 0.000 1.014 283 A CA -0.717 51.284 52.037 -0.061 0.000 1.024 283 A CB 0.436 19.355 19.000 -0.134 0.000 1.162 283 A HN 0.010 nan 8.150 nan 0.000 0.511 284 P HA -0.103 nan 4.420 nan 0.000 0.217 284 P C 0.702 177.978 177.300 -0.040 0.000 1.148 284 P CA 1.547 64.635 63.100 -0.021 0.000 0.828 284 P CB 0.241 31.932 31.700 -0.016 0.000 0.783 285 S N -0.848 114.822 115.700 -0.049 0.000 2.532 285 S HA 0.444 4.914 4.470 -0.000 0.000 0.299 285 S C -0.646 173.905 174.600 -0.082 0.000 1.105 285 S CA -0.843 57.324 58.200 -0.054 0.000 1.018 285 S CB 0.423 63.603 63.200 -0.032 0.000 1.021 285 S HN -0.230 nan 8.310 nan 0.000 0.483 286 L N 4.250 125.415 121.223 -0.097 0.000 2.455 286 L HA 0.413 4.753 4.340 -0.000 0.000 0.272 286 L C 1.368 178.188 176.870 -0.084 0.000 1.174 286 L CA 0.767 55.536 54.840 -0.119 0.000 0.869 286 L CB 0.149 42.140 42.059 -0.114 0.000 1.130 286 L HN 0.898 nan 8.230 nan 0.000 0.474 287 G N 2.579 111.321 108.800 -0.097 0.000 2.483 287 G HA2 0.205 4.165 3.960 -0.000 0.000 0.248 287 G HA3 0.205 4.165 3.960 -0.000 0.000 0.248 287 G C -0.264 174.610 174.900 -0.042 0.000 1.248 287 G CA -0.463 44.600 45.100 -0.062 0.000 0.838 287 G HN 0.670 nan 8.290 nan 0.000 0.566 288 Q N 0.678 120.463 119.800 -0.025 0.000 2.323 288 Q HA 0.261 4.601 4.340 -0.000 0.000 0.257 288 Q C -0.026 175.961 176.000 -0.023 0.000 1.022 288 Q CA -0.071 55.723 55.803 -0.015 0.000 0.919 288 Q CB 0.295 29.035 28.738 0.002 0.000 1.220 288 Q HN 0.455 nan 8.270 nan 0.000 0.427 289 R N 3.899 124.381 120.500 -0.030 0.000 2.312 289 R HA 0.138 4.478 4.340 -0.000 0.000 0.310 289 R C -0.002 176.273 176.300 -0.041 0.000 1.064 289 R CA -0.237 55.834 56.100 -0.048 0.000 0.983 289 R CB 0.878 31.141 30.300 -0.062 0.000 1.139 289 R HN 0.748 nan 8.270 nan 0.000 0.536 290 E N 1.564 121.748 120.200 -0.027 0.000 2.358 290 E HA -0.119 4.231 4.350 -0.000 0.000 0.195 290 E C 0.809 177.405 176.600 -0.007 0.000 1.010 290 E CA 0.741 57.141 56.400 0.000 0.000 0.856 290 E CB 0.272 29.986 29.700 0.025 0.000 0.795 290 E HN 0.360 nan 8.360 nan 0.000 0.504 291 K N 1.114 121.493 120.400 -0.035 0.000 2.097 291 K HA -0.148 4.171 4.320 -0.000 0.000 0.206 291 K C 1.535 178.113 176.600 -0.038 0.000 1.049 291 K CA 1.525 57.791 56.287 -0.035 0.000 0.933 291 K CB -0.000 32.452 32.500 -0.080 0.000 0.717 291 K HN 0.007 nan 8.250 nan 0.000 0.442 292 D N 0.372 120.737 120.400 -0.057 0.000 2.104 292 D HA -0.144 4.496 4.640 -0.000 0.000 0.194 292 D C 1.818 178.041 176.300 -0.129 0.000 0.994 292 D CA 1.441 55.400 54.000 -0.069 0.000 0.830 292 D CB 0.119 40.888 40.800 -0.052 0.000 0.959 292 D HN 0.122 nan 8.370 nan 0.000 0.452 293 M N -0.124 119.388 119.600 -0.146 0.000 2.098 293 M HA -0.098 4.382 4.480 -0.000 0.000 0.262 293 M C 2.165 178.285 176.300 -0.300 0.000 1.072 293 M CA 1.073 56.178 55.300 -0.325 0.000 1.133 293 M CB -0.215 32.292 32.600 -0.155 0.000 1.344 293 M HN -0.149 nan 8.290 nan 0.000 0.414 294 K N 1.376 121.785 120.400 0.016 0.000 2.089 294 K HA -0.225 4.095 4.320 -0.000 0.000 0.210 294 K C 1.822 178.480 176.600 0.096 0.000 1.048 294 K CA 1.667 58.051 56.287 0.162 0.000 0.926 294 K CB -0.403 32.166 32.500 0.115 0.000 0.714 294 K HN 0.414 nan 8.250 nan 0.000 0.448 295 L N 0.423 121.648 121.223 0.003 0.000 2.068 295 L HA -0.041 4.299 4.340 -0.000 0.000 0.204 295 L C 2.270 179.106 176.870 -0.057 0.000 1.076 295 L CA 1.352 56.190 54.840 -0.003 0.000 0.753 295 L CB -0.369 41.689 42.059 -0.002 0.000 0.910 295 L HN 0.115 nan 8.230 nan 0.000 0.439 296 K N -0.463 119.832 120.400 -0.175 0.000 2.589 296 K HA -0.095 4.225 4.320 -0.000 0.000 0.195 296 K C -0.184 176.225 176.600 -0.318 0.000 1.040 296 K CA 0.362 56.488 56.287 -0.268 0.000 0.950 296 K CB -0.063 32.211 32.500 -0.377 0.000 0.781 296 K HN 0.175 nan 8.250 nan 0.000 0.486 322 L N 1.000 122.215 121.223 -0.013 0.000 2.312 322 L HA 0.670 5.009 4.340 -0.000 0.000 0.281 322 L C 0.572 177.443 176.870 0.000 0.000 1.070 322 L CA -0.379 54.453 54.840 -0.012 0.000 0.805 322 L CB 1.686 43.741 42.059 -0.006 0.000 1.174 322 L HN 0.208 nan 8.230 nan 0.000 0.434 323 S N 0.777 116.480 115.700 0.005 0.000 2.766 323 S HA 0.366 4.836 4.470 -0.000 0.000 0.307 323 S C 0.626 175.254 174.600 0.046 0.000 1.121 323 S CA -0.624 57.611 58.200 0.059 0.000 0.980 323 S CB 2.096 65.359 63.200 0.106 0.000 1.159 323 S HN 0.651 nan 8.310 nan 0.000 0.546 324 K N -0.293 120.138 120.400 0.052 0.000 2.335 324 K HA 0.218 4.537 4.320 -0.000 0.000 0.195 324 K C 1.320 177.894 176.600 -0.044 0.000 1.058 324 K CA 0.347 56.613 56.287 -0.034 0.000 0.988 324 K CB -0.184 32.250 32.500 -0.110 0.000 0.880 324 K HN 0.557 nan 8.250 nan 0.000 0.513 325 F N 1.559 121.487 119.950 -0.038 0.000 2.141 325 F HA -0.172 4.355 4.527 -0.000 0.000 0.300 325 F C 0.737 176.513 175.800 -0.040 0.000 1.079 325 F CA 1.042 59.022 58.000 -0.034 0.000 1.264 325 F CB -0.038 38.920 39.000 -0.069 0.000 1.011 325 F HN -0.060 nan 8.300 nan 0.000 0.487 326 I N -0.350 120.279 120.570 0.098 0.000 2.410 326 I HA 0.170 4.340 4.170 -0.000 0.000 0.286 326 I C -0.887 175.244 176.117 0.024 0.000 1.009 326 I CA -0.911 60.398 61.300 0.015 0.000 1.111 326 I CB 1.375 39.256 38.000 -0.199 0.000 1.262 326 I HN -0.292 nan 8.210 nan 0.000 0.443 327 D N 8.753 129.182 120.400 0.048 0.000 2.317 327 D HA 0.231 4.871 4.640 -0.000 0.000 0.252 327 D C -1.474 174.834 176.300 0.013 0.000 1.174 327 D CA -1.937 52.077 54.000 0.024 0.000 0.866 327 D CB 1.507 42.322 40.800 0.026 0.000 1.127 327 D HN 0.274 nan 8.370 nan 0.000 0.467 328 P HA -0.027 nan 4.420 nan 0.000 0.245 328 P C 0.803 178.097 177.300 -0.010 0.000 1.206 328 P CA 0.260 63.356 63.100 -0.007 0.000 0.781 328 P CB 0.203 31.898 31.700 -0.009 0.000 0.994 329 S N -0.866 114.830 115.700 -0.006 0.000 2.522 329 S HA 0.002 4.472 4.470 -0.000 0.000 0.227 329 S C 1.017 175.608 174.600 -0.015 0.000 0.986 329 S CA -0.246 57.950 58.200 -0.007 0.000 0.929 329 S CB -1.057 62.142 63.200 -0.001 0.000 0.769 329 S HN 0.084 nan 8.310 nan 0.000 0.529 330 L N 2.635 123.843 121.223 -0.025 0.000 2.559 330 L HA 0.130 4.470 4.340 -0.000 0.000 0.282 330 L C -0.012 176.804 176.870 -0.090 0.000 1.232 330 L CA 0.610 55.422 54.840 -0.048 0.000 0.885 330 L CB 0.448 42.476 42.059 -0.052 0.000 1.131 330 L HN 0.378 nan 8.230 nan 0.000 0.498 331 T N 1.351 115.851 114.554 -0.090 0.000 2.887 331 T HA 0.161 4.511 4.350 -0.000 0.000 0.292 331 T C 0.436 175.071 174.700 -0.109 0.000 1.087 331 T CA -0.511 61.535 62.100 -0.089 0.000 1.009 331 T CB 1.129 70.008 68.868 0.019 0.000 1.203 331 T HN 0.592 nan 8.240 nan 0.000 0.518 332 W N 0.741 122.050 121.300 0.015 0.000 2.333 332 W HA -0.056 4.604 4.660 0.000 0.000 0.316 332 W C 2.489 179.013 176.519 0.008 0.000 1.215 332 W CA 0.601 57.952 57.345 0.011 0.000 1.278 332 W CB -0.007 29.459 29.460 0.010 0.000 1.154 332 W HN 0.488 nan 8.180 nan 0.000 0.486 333 K N 0.386 120.937 120.400 0.253 0.000 2.113 333 K HA -0.203 4.117 4.320 -0.000 0.000 0.208 333 K C 1.293 177.951 176.600 0.097 0.000 1.047 333 K CA 1.742 58.115 56.287 0.143 0.000 0.928 333 K CB -0.790 31.770 32.500 0.101 0.000 0.716 333 K HN 0.301 nan 8.250 nan 0.000 0.446 334 D N 0.565 121.008 120.400 0.071 0.000 2.178 334 D HA -0.133 4.506 4.640 -0.000 0.000 0.201 334 D C 1.907 178.231 176.300 0.040 0.000 0.980 334 D CA 0.687 54.710 54.000 0.038 0.000 0.842 334 D CB 0.117 40.923 40.800 0.011 0.000 0.948 334 D HN 0.101 nan 8.370 nan 0.000 0.472 335 I N 1.708 122.314 120.570 0.059 0.000 2.141 335 I HA -0.168 4.002 4.170 -0.000 0.000 0.236 335 I C 2.314 178.482 176.117 0.085 0.000 1.071 335 I CA 0.885 62.226 61.300 0.068 0.000 1.345 335 I CB -1.166 36.892 38.000 0.096 0.000 1.066 335 I HN 0.024 nan 8.210 nan 0.000 0.406 336 E N 0.435 120.708 120.200 0.122 0.000 2.217 336 E HA -0.349 4.001 4.350 -0.000 0.000 0.219 336 E C 1.984 178.615 176.600 0.052 0.000 1.070 336 E CA 2.190 58.641 56.400 0.084 0.000 0.889 336 E CB -0.252 29.499 29.700 0.086 0.000 0.768 336 E HN 0.419 nan 8.360 nan 0.000 0.465 337 E N 0.512 120.742 120.200 0.049 0.000 2.106 337 E HA -0.128 4.222 4.350 -0.000 0.000 0.192 337 E C 1.837 178.453 176.600 0.026 0.000 0.984 337 E CA 0.345 56.765 56.400 0.033 0.000 0.806 337 E CB -0.089 29.629 29.700 0.031 0.000 0.750 337 E HN 0.120 nan 8.360 nan 0.000 0.458 338 L N 0.738 121.977 121.223 0.027 0.000 2.275 338 L HA -0.088 4.252 4.340 -0.000 0.000 0.215 338 L C 1.636 178.514 176.870 0.013 0.000 1.119 338 L CA 1.581 56.432 54.840 0.018 0.000 0.790 338 L CB -0.175 41.893 42.059 0.015 0.000 0.919 338 L HN -0.011 nan 8.230 nan 0.000 0.443 339 K N -0.242 120.168 120.400 0.017 0.000 1.991 339 K HA -0.219 4.101 4.320 -0.000 0.000 0.212 339 K C 2.102 178.707 176.600 0.008 0.000 1.049 339 K CA 1.947 58.240 56.287 0.010 0.000 0.932 339 K CB -0.179 32.331 32.500 0.017 0.000 0.717 339 K HN 0.307 nan 8.250 nan 0.000 0.441 340 K N 1.199 121.606 120.400 0.012 0.000 2.032 340 K HA -0.154 4.165 4.320 -0.000 0.000 0.209 340 K C 1.795 178.399 176.600 0.007 0.000 1.048 340 K CA 1.563 57.856 56.287 0.009 0.000 0.927 340 K CB -0.038 32.468 32.500 0.012 0.000 0.712 340 K HN 0.093 nan 8.250 nan 0.000 0.441 341 K N 0.097 120.502 120.400 0.009 0.000 2.555 341 K HA 0.017 4.337 4.320 -0.000 0.000 0.193 341 K C 0.286 176.888 176.600 0.004 0.000 1.032 341 K CA 0.469 56.760 56.287 0.007 0.000 1.004 341 K CB 0.340 32.845 32.500 0.009 0.000 0.804 341 K HN -0.011 nan 8.250 nan 0.000 0.496 342 T N -0.746 113.810 114.554 0.003 0.000 2.885 342 T HA 0.164 4.514 4.350 -0.000 0.000 0.322 342 T C -0.436 174.263 174.700 -0.001 0.000 1.387 342 T CA -0.758 61.343 62.100 0.001 0.000 1.041 342 T CB 1.851 70.719 68.868 0.001 0.000 1.287 342 T HN -0.083 nan 8.240 nan 0.000 0.491 343 K N 1.928 122.328 120.400 0.000 0.000 2.334 343 K HA 0.364 4.683 4.320 -0.000 0.000 0.195 343 K C 0.601 177.201 176.600 -0.000 0.000 1.045 343 K CA -0.026 56.261 56.287 0.001 0.000 1.004 343 K CB 0.126 32.629 32.500 0.005 0.000 0.837 343 K HN 0.564 nan 8.250 nan 0.000 0.510 344 L N 3.840 125.064 121.223 0.001 0.000 2.615 344 L HA -0.043 4.297 4.340 -0.000 0.000 0.284 344 L C -2.136 174.715 176.870 -0.032 0.000 1.237 344 L CA -1.183 53.656 54.840 -0.002 0.000 0.905 344 L CB -0.089 41.974 42.059 0.005 0.000 1.149 344 L HN 0.028 nan 8.230 nan 0.000 0.499 345 P HA 0.134 nan 4.420 nan 0.000 0.267 345 P C -0.642 176.542 177.300 -0.193 0.000 1.200 345 P CA 0.156 63.197 63.100 -0.099 0.000 0.772 345 P CB 0.650 32.295 31.700 -0.092 0.000 0.855 346 I N 2.404 122.858 120.570 -0.194 0.000 2.436 346 I HA 0.277 4.447 4.170 -0.000 0.000 0.289 346 I C -0.897 175.040 176.117 -0.300 0.000 1.010 346 I CA -0.685 60.477 61.300 -0.231 0.000 1.098 346 I CB 1.874 39.808 38.000 -0.110 0.000 1.266 346 I HN -0.039 nan 8.210 nan 0.000 0.434 347 V N 7.896 127.522 119.914 -0.480 0.000 2.407 347 V HA 0.381 4.501 4.120 -0.000 0.000 0.291 347 V C 0.074 176.018 176.094 -0.249 0.000 1.018 347 V CA -0.545 61.462 62.300 -0.487 0.000 0.842 347 V CB 1.686 32.808 31.823 -1.168 0.000 0.996 347 V HN 0.457 nan 8.190 nan 0.000 0.426 348 I N 5.300 125.821 120.570 -0.082 0.000 2.372 348 I HA 0.179 4.349 4.170 -0.000 0.000 0.298 348 I C 0.765 176.899 176.117 0.029 0.000 1.137 348 I CA 0.280 61.566 61.300 -0.023 0.000 1.314 348 I CB 0.142 38.155 38.000 0.022 0.000 1.444 348 I HN 0.499 nan 8.210 nan 0.000 0.541 349 K N 6.312 126.739 120.400 0.046 0.000 2.273 349 K HA 0.416 4.736 4.320 -0.000 0.000 0.287 349 K C 0.561 177.207 176.600 0.076 0.000 1.089 349 K CA 0.031 56.380 56.287 0.104 0.000 0.909 349 K CB 0.433 33.012 32.500 0.132 0.000 1.123 349 K HN 0.867 nan 8.250 nan 0.000 0.473 350 G N 2.657 111.511 108.800 0.091 0.000 2.665 350 G HA2 -0.095 3.865 3.960 -0.000 0.000 0.220 350 G HA3 -0.095 3.865 3.960 -0.000 0.000 0.220 350 G C -0.444 174.505 174.900 0.083 0.000 1.002 350 G CA -0.558 44.598 45.100 0.092 0.000 0.893 350 G HN 0.438 nan 8.290 nan 0.000 0.586 351 V N 0.615 120.584 119.914 0.093 0.000 2.775 351 V HA 0.432 4.552 4.120 -0.000 0.000 0.299 351 V C 1.016 177.163 176.094 0.090 0.000 1.062 351 V CA 0.663 63.021 62.300 0.097 0.000 1.063 351 V CB 1.536 33.431 31.823 0.121 0.000 0.994 351 V HN 0.476 nan 8.190 nan 0.000 0.483 352 Q N 2.444 122.295 119.800 0.084 0.000 2.040 352 Q HA 0.286 4.626 4.340 -0.000 0.000 0.212 352 Q C -0.367 175.673 176.000 0.067 0.000 0.766 352 Q CA -0.312 55.534 55.803 0.072 0.000 0.967 352 Q CB 1.120 29.899 28.738 0.068 0.000 1.202 352 Q HN 0.825 nan 8.270 nan 0.000 0.446 353 R N -1.513 119.032 120.500 0.076 0.000 2.774 353 R HA 0.496 4.836 4.340 -0.000 0.000 0.272 353 R C 0.397 176.737 176.300 0.067 0.000 1.000 353 R CA -0.736 55.403 56.100 0.065 0.000 0.906 353 R CB 0.025 30.363 30.300 0.064 0.000 1.227 353 R HN -0.270 nan 8.270 nan 0.000 0.468 354 T N 0.509 115.093 114.554 0.050 0.000 2.759 354 T HA -0.160 4.190 4.350 -0.000 0.000 0.269 354 T C 0.962 175.688 174.700 0.043 0.000 1.042 354 T CA 2.046 64.170 62.100 0.041 0.000 1.140 354 T CB -0.198 68.686 68.868 0.026 0.000 0.864 354 T HN 0.600 nan 8.240 nan 0.000 0.455 355 E N 1.036 121.264 120.200 0.047 0.000 2.153 355 E HA -0.098 4.252 4.350 -0.000 0.000 0.194 355 E C 1.766 178.398 176.600 0.054 0.000 0.988 355 E CA 0.974 57.398 56.400 0.039 0.000 0.811 355 E CB -0.120 29.605 29.700 0.042 0.000 0.746 355 E HN 0.402 nan 8.360 nan 0.000 0.466 356 D N -0.890 119.578 120.400 0.113 0.000 2.348 356 D HA 0.011 4.651 4.640 -0.000 0.000 0.211 356 D C 1.600 178.004 176.300 0.174 0.000 0.998 356 D CA 0.159 54.282 54.000 0.205 0.000 0.873 356 D CB 0.354 41.346 40.800 0.319 0.000 0.925 356 D HN 0.027 nan 8.370 nan 0.000 0.524 357 V N 0.970 120.946 119.914 0.103 0.000 2.255 357 V HA -0.175 3.944 4.120 -0.000 0.000 0.243 357 V C 2.519 178.631 176.094 0.030 0.000 1.038 357 V CA 0.891 63.240 62.300 0.082 0.000 1.008 357 V CB -0.293 31.566 31.823 0.059 0.000 0.645 357 V HN 0.139 nan 8.190 nan 0.000 0.449 358 I N -0.251 120.319 120.570 -0.000 0.000 2.147 358 I HA -0.437 3.733 4.170 -0.000 0.000 0.245 358 I C 2.602 178.652 176.117 -0.112 0.000 1.059 358 I CA 2.045 63.319 61.300 -0.044 0.000 1.320 358 I CB -0.407 37.567 38.000 -0.042 0.000 1.021 358 I HN 0.314 nan 8.210 nan 0.000 0.415 359 K N 0.289 120.586 120.400 -0.170 0.000 2.026 359 K HA -0.168 4.152 4.320 -0.000 0.000 0.208 359 K C 2.222 178.555 176.600 -0.444 0.000 1.048 359 K CA 1.517 57.532 56.287 -0.454 0.000 0.929 359 K CB -0.272 31.754 32.500 -0.789 0.000 0.713 359 K HN 0.368 nan 8.250 nan 0.000 0.439 360 A N 1.201 123.934 122.820 -0.145 0.000 1.978 360 A HA -0.165 4.155 4.320 -0.000 0.000 0.220 360 A C 2.242 179.816 177.584 -0.017 0.000 1.170 360 A CA 1.950 54.015 52.037 0.045 0.000 0.636 360 A CB -0.587 18.528 19.000 0.192 0.000 0.810 360 A HN 0.386 nan 8.150 nan 0.000 0.448 361 A N -0.372 122.421 122.820 -0.046 0.000 1.840 361 A HA -0.119 4.201 4.320 -0.000 0.000 0.214 361 A C 1.807 179.351 177.584 -0.067 0.000 1.198 361 A CA 1.484 53.496 52.037 -0.042 0.000 0.608 361 A CB -0.684 18.294 19.000 -0.036 0.000 0.839 361 A HN 0.538 nan 8.150 nan 0.000 0.443 362 E N -0.510 119.625 120.200 -0.108 0.000 2.301 362 E HA -0.220 4.130 4.350 -0.000 0.000 0.202 362 E C 1.211 177.738 176.600 -0.121 0.000 1.017 362 E CA 1.455 57.778 56.400 -0.127 0.000 0.831 362 E CB -0.388 29.202 29.700 -0.183 0.000 0.742 362 E HN 0.869 nan 8.360 nan 0.000 0.491 363 I N -4.172 116.329 120.570 -0.115 0.000 3.877 363 I HA 0.372 4.542 4.170 -0.000 0.000 0.332 363 I C 0.755 176.862 176.117 -0.016 0.000 1.525 363 I CA -0.265 60.999 61.300 -0.060 0.000 1.146 363 I CB 0.435 38.410 38.000 -0.041 0.000 1.137 363 I HN -0.091 nan 8.210 nan 0.000 0.424 364 G N 3.114 111.900 108.800 -0.024 0.000 2.242 364 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.265 364 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.265 364 G C 0.355 175.256 174.900 0.002 0.000 0.832 364 G CA 0.695 45.788 45.100 -0.010 0.000 1.181 364 G HN 0.731 nan 8.290 nan 0.000 0.428 365 V N -1.640 118.283 119.914 0.016 0.000 3.264 365 V HA 0.608 4.728 4.120 -0.000 0.000 0.304 365 V C 1.420 177.508 176.094 -0.010 0.000 1.086 365 V CA 0.440 62.746 62.300 0.009 0.000 1.090 365 V CB 1.123 32.965 31.823 0.032 0.000 1.112 365 V HN 0.282 nan 8.190 nan 0.000 0.472 366 S N 1.699 117.375 115.700 -0.040 0.000 2.325 366 S HA 0.245 4.715 4.470 -0.000 0.000 0.213 366 S C 0.947 175.536 174.600 -0.019 0.000 1.031 366 S CA 1.133 59.308 58.200 -0.041 0.000 0.984 366 S CB -0.457 62.696 63.200 -0.079 0.000 0.939 366 S HN 1.306 nan 8.310 nan 0.000 0.438 367 G N -0.476 108.302 108.800 -0.035 0.000 3.257 367 G HA2 0.656 4.615 3.960 -0.000 0.000 0.205 367 G HA3 0.656 4.615 3.960 -0.000 0.000 0.205 367 G C -1.563 173.367 174.900 0.050 0.000 1.234 367 G CA -0.387 44.747 45.100 0.057 0.000 0.918 367 G HN 0.377 nan 8.290 nan 0.000 0.602 368 V N -1.011 119.007 119.914 0.172 0.000 2.971 368 V HA 0.421 4.541 4.120 -0.000 0.000 0.281 368 V C -1.283 174.991 176.094 0.300 0.000 1.470 368 V CA -0.580 61.820 62.300 0.166 0.000 0.966 368 V CB 1.976 33.878 31.823 0.132 0.000 1.156 368 V HN 0.649 nan 8.190 nan 0.000 0.441 369 V N 6.328 126.397 119.914 0.259 0.000 2.398 369 V HA 0.496 4.616 4.120 -0.000 0.000 0.286 369 V C -0.347 175.865 176.094 0.197 0.000 1.026 369 V CA -0.722 61.756 62.300 0.297 0.000 0.868 369 V CB 1.548 33.533 31.823 0.270 0.000 0.982 369 V HN 0.604 nan 8.190 nan 0.000 0.443 370 L N 4.860 126.195 121.223 0.186 0.000 2.295 370 L HA 0.585 4.925 4.340 -0.000 0.000 0.288 370 L C 0.311 177.252 176.870 0.119 0.000 1.079 370 L CA 0.942 55.860 54.840 0.129 0.000 0.830 370 L CB 0.589 42.711 42.059 0.106 0.000 1.200 370 L HN 0.857 nan 8.230 nan 0.000 0.438 371 S N 2.919 118.681 115.700 0.102 0.000 2.547 371 S HA 0.642 5.111 4.470 -0.000 0.000 0.270 371 S C -0.641 174.012 174.600 0.089 0.000 1.150 371 S CA -0.741 57.512 58.200 0.089 0.000 0.850 371 S CB 1.145 64.395 63.200 0.083 0.000 1.118 371 S HN 0.634 nan 8.310 nan 0.000 0.461 372 N N 1.102 119.855 118.700 0.088 0.000 2.571 372 N HA 0.243 4.983 4.740 -0.000 0.000 0.298 372 N C -0.305 175.300 175.510 0.159 0.000 1.671 372 N CA -0.311 52.803 53.050 0.107 0.000 0.900 372 N CB -0.430 38.102 38.487 0.075 0.000 1.365 372 N HN 0.849 nan 8.380 nan 0.000 0.493 373 H N 0.711 119.802 119.070 0.035 0.000 2.776 373 H HA -0.146 4.410 4.556 -0.000 0.000 0.300 373 H C 1.147 176.485 175.328 0.017 0.000 1.161 373 H CA 1.301 57.365 56.048 0.027 0.000 1.147 373 H CB -1.275 28.507 29.762 0.034 0.000 1.366 373 H HN 0.888 nan 8.280 nan 0.000 0.397 374 G N -1.104 107.733 108.800 0.061 0.000 2.212 374 G HA2 0.037 3.997 3.960 -0.000 0.000 0.255 374 G HA3 0.037 3.997 3.960 -0.000 0.000 0.255 374 G C 1.338 176.334 174.900 0.159 0.000 1.062 374 G CA 1.008 46.155 45.100 0.078 0.000 0.815 374 G HN 1.736 nan 8.290 nan 0.000 0.497 375 G N -1.212 107.663 108.800 0.125 0.000 2.225 375 G HA2 -0.322 3.637 3.960 -0.000 0.000 0.267 375 G HA3 -0.322 3.637 3.960 -0.000 0.000 0.267 375 G C 0.894 175.833 174.900 0.065 0.000 1.024 375 G CA 1.313 46.479 45.100 0.110 0.000 0.784 375 G HN 1.045 nan 8.290 nan 0.000 0.507 376 R N -1.350 119.198 120.500 0.079 0.000 2.365 376 R HA 0.200 4.540 4.340 -0.000 0.000 0.223 376 R C 2.130 178.432 176.300 0.003 0.000 0.899 376 R CA 0.441 56.563 56.100 0.037 0.000 1.059 376 R CB 0.094 30.450 30.300 0.093 0.000 1.086 376 R HN 0.369 nan 8.270 nan 0.000 0.522 377 Q N 0.058 119.869 119.800 0.019 0.000 2.490 377 Q HA 0.200 4.539 4.340 -0.000 0.000 0.190 377 Q C 0.237 176.238 176.000 0.001 0.000 0.969 377 Q CA 0.322 56.112 55.803 -0.023 0.000 0.844 377 Q CB 0.094 28.811 28.738 -0.035 0.000 1.050 377 Q HN 0.131 nan 8.270 nan 0.000 0.601 378 L N 3.051 124.288 121.223 0.024 0.000 2.262 378 L HA 0.262 4.602 4.340 -0.000 0.000 0.288 378 L C -0.840 176.052 176.870 0.035 0.000 1.035 378 L CA -0.346 54.517 54.840 0.038 0.000 0.820 378 L CB 1.059 43.149 42.059 0.052 0.000 1.204 378 L HN 0.184 nan 8.230 nan 0.000 0.424 379 D N 3.816 124.230 120.400 0.024 0.000 2.389 379 D HA 0.134 4.774 4.640 -0.000 0.000 0.247 379 D C 0.276 176.604 176.300 0.047 0.000 1.128 379 D CA 0.583 54.546 54.000 -0.062 0.000 0.884 379 D CB 0.447 41.190 40.800 -0.095 0.000 1.194 379 D HN 0.436 nan 8.370 nan 0.000 0.441 380 F N -0.050 119.917 119.950 0.029 0.000 2.884 380 F HA -0.261 4.265 4.527 -0.000 0.000 0.294 380 F C 1.008 176.822 175.800 0.023 0.000 0.723 380 F CA 0.541 58.555 58.000 0.023 0.000 1.294 380 F CB -1.994 37.017 39.000 0.019 0.000 1.551 380 F HN 0.219 nan 8.300 nan 0.000 0.363 381 S N 0.611 116.374 115.700 0.105 0.000 2.573 381 S HA 0.451 4.921 4.470 -0.000 0.000 0.277 381 S C 0.889 175.527 174.600 0.063 0.000 1.346 381 S CA -0.391 57.858 58.200 0.081 0.000 1.034 381 S CB 0.754 63.989 63.200 0.058 0.000 0.879 381 S HN 0.318 nan 8.310 nan 0.000 0.528 382 R N 1.341 121.876 120.500 0.058 0.000 2.652 382 R HA 0.488 4.828 4.340 -0.000 0.000 0.271 382 R C 0.176 176.481 176.300 0.008 0.000 1.129 382 R CA -0.275 55.847 56.100 0.036 0.000 1.200 382 R CB 0.242 30.561 30.300 0.031 0.000 1.146 382 R HN 0.711 nan 8.270 nan 0.000 0.581 383 A N 2.321 125.129 122.820 -0.021 0.000 2.451 383 A HA 0.187 4.507 4.320 -0.000 0.000 0.266 383 A C -1.693 175.856 177.584 -0.059 0.000 1.119 383 A CA -1.351 50.653 52.037 -0.055 0.000 0.786 383 A CB 0.117 19.053 19.000 -0.108 0.000 1.061 383 A HN 0.484 nan 8.150 nan 0.000 0.503 384 P HA -0.252 nan 4.420 nan 0.000 0.220 384 P C 1.461 178.718 177.300 -0.071 0.000 1.155 384 P CA 1.344 64.436 63.100 -0.014 0.000 0.880 384 P CB 0.069 31.787 31.700 0.030 0.000 0.790 385 I N -0.141 120.307 120.570 -0.203 0.000 2.264 385 I HA -0.229 3.941 4.170 -0.000 0.000 0.248 385 I C 2.206 178.209 176.117 -0.189 0.000 1.111 385 I CA 1.677 62.792 61.300 -0.308 0.000 1.382 385 I CB -0.720 36.761 38.000 -0.864 0.000 1.060 385 I HN -0.023 nan 8.210 nan 0.000 0.418 386 E N -0.494 119.609 120.200 -0.160 0.000 2.107 386 E HA -0.152 4.198 4.350 -0.000 0.000 0.191 386 E C 2.129 178.702 176.600 -0.045 0.000 0.982 386 E CA 1.338 57.684 56.400 -0.091 0.000 0.809 386 E CB -0.035 29.621 29.700 -0.074 0.000 0.756 386 E HN 0.350 nan 8.360 nan 0.000 0.459 387 V N 1.679 121.574 119.914 -0.031 0.000 2.244 387 V HA -0.258 3.862 4.120 -0.000 0.000 0.244 387 V C 2.545 178.639 176.094 -0.001 0.000 1.042 387 V CA 1.636 63.935 62.300 -0.003 0.000 1.006 387 V CB -0.586 31.247 31.823 0.016 0.000 0.641 387 V HN 0.424 nan 8.190 nan 0.000 0.446 388 L N 0.058 121.279 121.223 -0.003 0.000 2.058 388 L HA -0.359 3.981 4.340 -0.000 0.000 0.226 388 L C 2.493 179.362 176.870 -0.001 0.000 1.089 388 L CA 2.485 57.327 54.840 0.004 0.000 0.799 388 L CB -0.572 41.489 42.059 0.004 0.000 0.900 388 L HN 0.435 nan 8.230 nan 0.000 0.442 389 A N -1.184 121.627 122.820 -0.015 0.000 2.015 389 A HA -0.246 4.074 4.320 -0.000 0.000 0.219 389 A C 2.130 179.712 177.584 -0.004 0.000 1.163 389 A CA 1.589 53.620 52.037 -0.010 0.000 0.646 389 A CB -0.437 18.551 19.000 -0.021 0.000 0.806 389 A HN 0.643 nan 8.150 nan 0.000 0.448 390 E N -0.336 119.861 120.200 -0.004 0.000 2.072 390 E HA -0.166 4.184 4.350 -0.000 0.000 0.190 390 E C 2.024 178.627 176.600 0.006 0.000 0.982 390 E CA 1.719 58.120 56.400 0.002 0.000 0.803 390 E CB -0.166 29.536 29.700 0.004 0.000 0.755 390 E HN 0.619 nan 8.360 nan 0.000 0.453 391 T N -1.252 113.307 114.554 0.009 0.000 3.035 391 T HA -0.013 4.337 4.350 -0.000 0.000 0.259 391 T C 1.835 176.539 174.700 0.008 0.000 1.078 391 T CA 0.443 62.550 62.100 0.012 0.000 1.132 391 T CB 0.015 68.895 68.868 0.020 0.000 0.900 391 T HN 0.014 nan 8.240 nan 0.000 0.480 392 M N 1.498 121.102 119.600 0.007 0.000 2.132 392 M HA 0.140 4.620 4.480 -0.000 0.000 0.263 392 M C -0.627 175.675 176.300 0.004 0.000 1.065 392 M CA 0.687 55.989 55.300 0.004 0.000 1.122 392 M CB -2.397 30.207 32.600 0.005 0.000 1.365 392 M HN 0.249 nan 8.290 nan 0.000 0.411 393 P HA -0.116 nan 4.420 nan 0.000 0.216 393 P C 1.740 179.041 177.300 0.002 0.000 1.150 393 P CA 1.090 64.192 63.100 0.004 0.000 0.837 393 P CB -0.125 31.578 31.700 0.005 0.000 0.786 394 I N -1.477 119.094 120.570 0.002 0.000 2.546 394 I HA -0.116 4.053 4.170 -0.000 0.000 0.255 394 I C 2.133 178.248 176.117 -0.002 0.000 1.163 394 I CA 1.226 62.526 61.300 0.000 0.000 1.457 394 I CB -1.099 36.902 38.000 0.002 0.000 1.092 394 I HN 0.014 nan 8.210 nan 0.000 0.434 395 L N -0.036 121.186 121.223 -0.002 0.000 2.217 395 L HA -0.131 4.209 4.340 -0.000 0.000 0.211 395 L C 2.312 179.179 176.870 -0.005 0.000 1.107 395 L CA 0.981 55.819 54.840 -0.004 0.000 0.783 395 L CB -0.356 41.700 42.059 -0.004 0.000 0.919 395 L HN 0.235 nan 8.230 nan 0.000 0.442 396 E N -0.091 120.107 120.200 -0.003 0.000 2.072 396 E HA -0.227 4.123 4.350 -0.000 0.000 0.190 396 E C 1.980 178.578 176.600 -0.003 0.000 0.982 396 E CA 0.570 56.969 56.400 -0.002 0.000 0.803 396 E CB 0.073 29.773 29.700 0.000 0.000 0.755 396 E HN 0.369 nan 8.360 nan 0.000 0.453 397 Q N 0.227 120.026 119.800 -0.003 0.000 2.541 397 Q HA -0.067 4.273 4.340 -0.000 0.000 0.215 397 Q C 0.796 176.792 176.000 -0.006 0.000 0.977 397 Q CA 0.663 56.464 55.803 -0.004 0.000 0.934 397 Q CB 0.219 28.956 28.738 -0.003 0.000 0.988 397 Q HN -0.008 nan 8.270 nan 0.000 0.521 398 R N -1.500 118.996 120.500 -0.008 0.000 2.566 398 R HA 0.213 4.553 4.340 -0.000 0.000 0.388 398 R C -0.231 176.062 176.300 -0.012 0.000 0.989 398 R CA 0.265 56.358 56.100 -0.011 0.000 1.164 398 R CB 0.491 30.782 30.300 -0.014 0.000 1.459 398 R HN 0.306 nan 8.270 nan 0.000 0.553 399 N N -0.710 117.984 118.700 -0.009 0.000 2.972 399 N HA -0.196 4.544 4.740 -0.000 0.000 0.225 399 N C 0.213 175.717 175.510 -0.010 0.000 0.883 399 N CA 0.910 53.955 53.050 -0.009 0.000 1.010 399 N CB -0.985 37.496 38.487 -0.010 0.000 1.052 399 N HN 0.154 nan 8.380 nan 0.000 0.598 400 L N 0.255 121.472 121.223 -0.011 0.000 2.645 400 L HA 0.120 4.460 4.340 -0.000 0.000 0.235 400 L C 2.117 178.980 176.870 -0.012 0.000 1.150 400 L CA 0.237 55.069 54.840 -0.013 0.000 0.911 400 L CB -0.242 41.807 42.059 -0.016 0.000 1.077 400 L HN 0.144 nan 8.230 nan 0.000 0.438 401 K N 1.300 121.695 120.400 -0.010 0.000 1.978 401 K HA -0.235 4.085 4.320 -0.000 0.000 0.214 401 K C 1.667 178.259 176.600 -0.013 0.000 1.049 401 K CA 1.852 58.133 56.287 -0.010 0.000 0.939 401 K CB -0.364 32.132 32.500 -0.007 0.000 0.721 401 K HN 0.116 nan 8.250 nan 0.000 0.441 402 D N -0.058 120.336 120.400 -0.009 0.000 2.228 402 D HA -0.154 4.486 4.640 -0.000 0.000 0.203 402 D C 1.438 177.732 176.300 -0.010 0.000 0.988 402 D CA 0.933 54.929 54.000 -0.008 0.000 0.864 402 D CB 0.226 41.024 40.800 -0.004 0.000 0.928 402 D HN 0.231 nan 8.370 nan 0.000 0.469 403 K N -0.275 120.118 120.400 -0.011 0.000 2.228 403 K HA 0.068 4.388 4.320 -0.000 0.000 0.202 403 K C 1.041 177.635 176.600 -0.010 0.000 1.051 403 K CA 0.178 56.459 56.287 -0.010 0.000 0.960 403 K CB 0.646 33.139 32.500 -0.012 0.000 0.743 403 K HN 0.206 nan 8.250 nan 0.000 0.458 404 L N 1.746 122.960 121.223 -0.015 0.000 2.381 404 L HA 0.237 4.577 4.340 -0.000 0.000 0.274 404 L C -0.716 176.128 176.870 -0.044 0.000 0.988 404 L CA -0.517 54.314 54.840 -0.015 0.000 0.824 404 L CB 2.473 44.529 42.059 -0.006 0.000 1.263 404 L HN -0.003 nan 8.230 nan 0.000 0.410 405 E N 2.737 122.907 120.200 -0.050 0.000 2.259 405 E HA 0.261 4.611 4.350 -0.000 0.000 0.281 405 E C -1.022 175.447 176.600 -0.218 0.000 1.037 405 E CA -0.358 55.929 56.400 -0.188 0.000 0.854 405 E CB 1.789 31.386 29.700 -0.172 0.000 1.051 405 E HN 0.214 nan 8.360 nan 0.000 0.409 406 V N 5.625 125.347 119.914 -0.321 0.000 2.275 406 V HA 0.256 4.376 4.120 -0.000 0.000 0.272 406 V C -0.441 175.527 176.094 -0.210 0.000 1.028 406 V CA -0.564 61.652 62.300 -0.140 0.000 0.810 406 V CB -0.507 31.287 31.823 -0.049 0.000 1.043 406 V HN 0.512 nan 8.190 nan 0.000 0.453 407 F N 3.048 123.081 119.950 0.138 0.000 2.348 407 F HA 0.734 5.261 4.527 -0.000 0.000 0.308 407 F C 0.399 176.305 175.800 0.177 0.000 1.175 407 F CA -0.768 57.359 58.000 0.211 0.000 1.080 407 F CB 1.141 40.332 39.000 0.318 0.000 1.341 407 F HN 0.151 nan 8.300 nan 0.000 0.518 408 V N 0.760 120.911 119.914 0.395 0.000 2.737 408 V HA 0.277 4.397 4.120 -0.000 0.000 0.298 408 V C -1.506 174.694 176.094 0.178 0.000 1.163 408 V CA -0.713 61.726 62.300 0.232 0.000 0.925 408 V CB 1.861 33.796 31.823 0.188 0.000 1.037 408 V HN 0.861 nan 8.190 nan 0.000 0.433 409 D N 3.074 123.552 120.400 0.130 0.000 2.614 409 D HA 0.868 5.507 4.640 -0.000 0.000 0.264 409 D C -0.036 176.307 176.300 0.071 0.000 1.092 409 D CA -0.167 53.869 54.000 0.059 0.000 1.071 409 D CB 2.039 42.846 40.800 0.011 0.000 1.443 409 D HN 1.358 nan 8.370 nan 0.000 0.528 410 G N -1.982 106.840 108.800 0.037 0.000 3.367 410 G HA2 0.457 4.417 3.960 -0.000 0.000 0.686 410 G HA3 0.457 4.417 3.960 -0.000 0.000 0.686 410 G C 0.775 175.729 174.900 0.091 0.000 1.146 410 G CA 0.271 45.399 45.100 0.045 0.000 0.913 410 G HN 1.746 nan 8.290 nan 0.000 0.554 411 G N -0.641 108.172 108.800 0.021 0.000 2.205 411 G HA2 -0.068 3.892 3.960 -0.000 0.000 0.269 411 G HA3 -0.068 3.892 3.960 -0.000 0.000 0.269 411 G C 0.859 175.809 174.900 0.085 0.000 0.977 411 G CA 1.034 46.176 45.100 0.071 0.000 0.652 411 G HN 1.996 nan 8.290 nan 0.000 0.539 412 V N 1.376 121.261 119.914 -0.049 0.000 2.446 412 V HA 0.377 4.497 4.120 -0.000 0.000 0.276 412 V C 1.309 177.260 176.094 -0.239 0.000 1.030 412 V CA 0.389 62.551 62.300 -0.229 0.000 1.033 412 V CB 1.157 32.840 31.823 -0.234 0.000 0.993 412 V HN 0.368 nan 8.190 nan 0.000 0.477 413 R N 3.652 124.014 120.500 -0.230 0.000 2.544 413 R HA 0.347 4.687 4.340 -0.000 0.000 0.303 413 R C 0.321 176.435 176.300 -0.310 0.000 0.939 413 R CA -0.120 55.784 56.100 -0.326 0.000 1.102 413 R CB 0.917 30.980 30.300 -0.395 0.000 1.440 413 R HN 0.495 nan 8.270 nan 0.000 0.532 414 R N -1.143 119.231 120.500 -0.210 0.000 2.774 414 R HA 0.363 4.703 4.340 -0.000 0.000 0.272 414 R C 0.768 176.979 176.300 -0.148 0.000 1.000 414 R CA -0.256 55.756 56.100 -0.147 0.000 0.906 414 R CB 1.374 31.658 30.300 -0.027 0.000 1.227 414 R HN 0.046 nan 8.270 nan 0.000 0.468 415 G N -0.057 108.682 108.800 -0.102 0.000 2.432 415 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.219 415 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.219 415 G C 1.187 176.081 174.900 -0.010 0.000 1.135 415 G CA 1.594 46.657 45.100 -0.063 0.000 0.767 415 G HN 0.678 nan 8.290 nan 0.000 0.550 416 T N -0.910 113.660 114.554 0.028 0.000 2.915 416 T HA -0.061 4.289 4.350 -0.000 0.000 0.269 416 T C 1.705 176.482 174.700 0.129 0.000 1.071 416 T CA 1.467 63.667 62.100 0.167 0.000 1.132 416 T CB -0.124 68.899 68.868 0.260 0.000 0.878 416 T HN 0.156 nan 8.240 nan 0.000 0.479 417 D N 1.594 121.941 120.400 -0.089 0.000 2.084 417 D HA -0.042 4.598 4.640 -0.000 0.000 0.196 417 D C 2.422 178.607 176.300 -0.191 0.000 0.985 417 D CA 0.882 54.649 54.000 -0.389 0.000 0.826 417 D CB -0.701 39.577 40.800 -0.870 0.000 0.978 417 D HN 0.296 nan 8.370 nan 0.000 0.456 418 V N 1.554 121.387 119.914 -0.136 0.000 2.324 418 V HA -0.245 3.875 4.120 -0.000 0.000 0.250 418 V C 2.675 178.822 176.094 0.088 0.000 1.060 418 V CA 1.297 63.592 62.300 -0.008 0.000 1.042 418 V CB -0.615 31.206 31.823 -0.004 0.000 0.650 418 V HN 0.214 nan 8.190 nan 0.000 0.450 419 L N -0.453 120.832 121.223 0.104 0.000 2.131 419 L HA -0.167 4.172 4.340 -0.000 0.000 0.210 419 L C 2.619 179.620 176.870 0.219 0.000 1.092 419 L CA 1.522 56.450 54.840 0.146 0.000 0.759 419 L CB -0.691 41.442 42.059 0.122 0.000 0.903 419 L HN 0.365 nan 8.230 nan 0.000 0.435 420 K N 0.318 120.877 120.400 0.265 0.000 2.097 420 K HA -0.092 4.227 4.320 -0.000 0.000 0.205 420 K C 2.245 178.968 176.600 0.204 0.000 1.050 420 K CA 1.293 57.730 56.287 0.250 0.000 0.938 420 K CB -0.216 32.429 32.500 0.242 0.000 0.718 420 K HN 0.259 nan 8.250 nan 0.000 0.442 421 A N 2.291 125.256 122.820 0.240 0.000 1.832 421 A HA -0.117 4.203 4.320 -0.000 0.000 0.214 421 A C 2.284 179.945 177.584 0.128 0.000 1.200 421 A CA 1.106 53.262 52.037 0.198 0.000 0.610 421 A CB -0.874 18.268 19.000 0.237 0.000 0.842 421 A HN 0.125 nan 8.150 nan 0.000 0.444 422 L N -0.564 120.732 121.223 0.123 0.000 1.991 422 L HA -0.361 3.979 4.340 -0.000 0.000 0.221 422 L C 2.821 179.739 176.870 0.081 0.000 1.079 422 L CA 1.870 56.766 54.840 0.092 0.000 0.778 422 L CB -1.083 41.032 42.059 0.093 0.000 0.893 422 L HN 0.526 nan 8.230 nan 0.000 0.437 423 C N -0.240 119.121 119.300 0.102 0.000 2.396 423 C HA -0.216 4.244 4.460 -0.000 0.000 0.277 423 C C 2.786 177.820 174.990 0.074 0.000 1.231 423 C CA 0.883 59.959 59.018 0.096 0.000 1.775 423 C CB -0.877 26.946 27.740 0.138 0.000 2.036 423 C HN 0.429 nan 8.230 nan 0.000 0.484 424 L N -0.931 120.335 121.223 0.072 0.000 2.313 424 L HA 0.145 4.485 4.340 -0.000 0.000 0.214 424 L C 2.054 178.944 176.870 0.033 0.000 1.119 424 L CA 1.535 56.404 54.840 0.048 0.000 0.809 424 L CB -0.261 41.822 42.059 0.041 0.000 0.933 424 L HN 0.612 nan 8.230 nan 0.000 0.449 425 G N -1.458 107.362 108.800 0.032 0.000 2.935 425 G HA2 -0.090 3.869 3.960 -0.000 0.000 0.213 425 G HA3 -0.090 3.869 3.960 -0.000 0.000 0.213 425 G C 0.340 175.236 174.900 -0.007 0.000 0.984 425 G CA -0.150 44.956 45.100 0.010 0.000 0.790 425 G HN 0.309 nan 8.290 nan 0.000 0.538 426 A N 0.578 123.407 122.820 0.015 0.000 2.546 426 A HA 0.565 4.885 4.320 -0.000 0.000 0.243 426 A C 1.201 178.756 177.584 -0.047 0.000 1.063 426 A CA 1.440 53.476 52.037 -0.001 0.000 0.757 426 A CB 0.536 19.583 19.000 0.077 0.000 0.991 426 A HN 0.390 nan 8.150 nan 0.000 0.503 427 K N 1.388 121.666 120.400 -0.203 0.000 2.365 427 K HA 0.237 4.557 4.320 -0.000 0.000 0.197 427 K C 0.637 177.212 176.600 -0.043 0.000 1.042 427 K CA 1.129 57.281 56.287 -0.224 0.000 0.987 427 K CB 0.160 32.380 32.500 -0.467 0.000 0.779 427 K HN 1.053 nan 8.250 nan 0.000 0.484 428 G N -0.668 108.187 108.800 0.091 0.000 2.556 428 G HA2 0.379 4.339 3.960 -0.000 0.000 0.294 428 G HA3 0.379 4.339 3.960 -0.000 0.000 0.294 428 G C -2.080 173.134 174.900 0.524 0.000 1.516 428 G CA -0.369 45.006 45.100 0.459 0.000 0.824 428 G HN 0.175 nan 8.290 nan 0.000 0.535 429 V N 0.660 120.772 119.914 0.329 0.000 2.483 429 V HA 0.929 5.049 4.120 -0.000 0.000 0.297 429 V C 0.357 176.263 176.094 -0.313 0.000 1.027 429 V CA 0.309 62.669 62.300 0.101 0.000 0.855 429 V CB 1.399 33.290 31.823 0.114 0.000 0.995 429 V HN 1.591 nan 8.190 nan 0.000 0.424 430 G N 5.517 113.957 108.800 -0.601 0.000 2.377 430 G HA2 0.648 4.608 3.960 -0.000 0.000 0.299 430 G HA3 0.648 4.608 3.960 -0.000 0.000 0.299 430 G C -1.298 173.413 174.900 -0.314 0.000 1.150 430 G CA -0.583 43.964 45.100 -0.922 0.000 0.847 430 G HN 0.807 nan 8.290 nan 0.000 0.501 431 L N 1.513 122.621 121.223 -0.191 0.000 2.385 431 L HA 0.624 4.964 4.340 -0.000 0.000 0.273 431 L C 0.987 177.834 176.870 -0.037 0.000 0.990 431 L CA -0.242 54.517 54.840 -0.135 0.000 0.821 431 L CB 2.017 43.930 42.059 -0.245 0.000 1.279 431 L HN 0.685 nan 8.230 nan 0.000 0.412 432 G N 1.103 109.836 108.800 -0.113 0.000 2.571 432 G HA2 0.093 4.053 3.960 -0.000 0.000 0.225 432 G HA3 0.093 4.053 3.960 -0.000 0.000 0.225 432 G C 1.232 175.990 174.900 -0.238 0.000 1.731 432 G CA -0.126 44.900 45.100 -0.123 0.000 0.858 432 G HN 0.518 nan 8.290 nan 0.000 0.611 433 R N 1.129 121.437 120.500 -0.321 0.000 2.140 433 R HA -0.154 4.186 4.340 -0.000 0.000 0.250 433 R C -0.032 175.876 176.300 -0.654 0.000 1.150 433 R CA 2.216 57.964 56.100 -0.586 0.000 0.966 433 R CB -1.290 28.770 30.300 -0.399 0.000 0.869 433 R HN 0.304 nan 8.270 nan 0.000 0.445 434 P HA -0.179 nan 4.420 nan 0.000 0.216 434 P C 0.885 177.948 177.300 -0.396 0.000 1.153 434 P CA 1.533 64.451 63.100 -0.303 0.000 0.858 434 P CB -0.121 31.255 31.700 -0.540 0.000 0.789 435 F N -1.724 118.082 119.950 -0.240 0.000 2.325 435 F HA -0.055 4.472 4.527 -0.000 0.000 0.299 435 F C 2.319 177.950 175.800 -0.282 0.000 1.090 435 F CA 0.393 58.244 58.000 -0.248 0.000 1.392 435 F CB -0.719 38.172 39.000 -0.182 0.000 1.053 435 F HN -0.185 nan 8.300 nan 0.000 0.521 436 L N -0.980 120.097 121.223 -0.243 0.000 1.989 436 L HA -0.272 4.068 4.340 -0.000 0.000 0.211 436 L C 2.369 179.106 176.870 -0.221 0.000 1.071 436 L CA 1.504 56.097 54.840 -0.412 0.000 0.749 436 L CB -0.697 40.807 42.059 -0.925 0.000 0.890 436 L HN 0.136 nan 8.230 nan 0.000 0.431 437 Y N -0.477 119.763 120.300 -0.100 0.000 2.274 437 Y HA -0.171 4.378 4.550 -0.000 0.000 0.290 437 Y C 2.486 178.377 175.900 -0.015 0.000 1.145 437 Y CA 0.694 58.816 58.100 0.037 0.000 1.203 437 Y CB -1.038 37.501 38.460 0.132 0.000 0.984 437 Y HN 0.159 nan 8.280 nan 0.000 0.533 438 A N 0.260 122.994 122.820 -0.143 0.000 1.840 438 A HA -0.199 4.121 4.320 -0.000 0.000 0.214 438 A C 2.195 179.698 177.584 -0.135 0.000 1.198 438 A CA 1.638 53.321 52.037 -0.590 0.000 0.608 438 A CB -1.021 17.177 19.000 -1.337 0.000 0.839 438 A HN 0.448 nan 8.150 nan 0.000 0.443 439 N N 0.500 119.150 118.700 -0.085 0.000 2.037 439 N HA -0.172 4.568 4.740 -0.000 0.000 0.196 439 N C 1.772 177.316 175.510 0.056 0.000 1.034 439 N CA 2.178 55.230 53.050 0.003 0.000 0.861 439 N CB -0.507 37.972 38.487 -0.013 0.000 1.039 439 N HN 0.288 nan 8.380 nan 0.000 0.427 440 S N -1.592 114.160 115.700 0.087 0.000 2.462 440 S HA -0.095 4.375 4.470 -0.000 0.000 0.243 440 S C 1.742 176.394 174.600 0.087 0.000 1.003 440 S CA 0.982 59.270 58.200 0.146 0.000 0.970 440 S CB -0.332 63.037 63.200 0.281 0.000 0.762 440 S HN 0.573 nan 8.310 nan 0.000 0.510 441 C N -1.953 117.384 119.300 0.063 0.000 2.937 441 C HA 0.377 4.837 4.460 -0.000 0.000 0.426 441 C C 0.678 175.497 174.990 -0.285 0.000 1.321 441 C CA -0.254 58.708 59.018 -0.094 0.000 2.082 441 C CB -0.255 27.501 27.740 0.027 0.000 2.834 441 C HN 0.661 nan 8.230 nan 0.000 0.593 442 Y N 0.184 120.529 120.300 0.075 0.000 2.888 442 Y HA 0.391 4.941 4.550 -0.000 0.000 0.260 442 Y C 1.386 177.310 175.900 0.041 0.000 1.113 442 Y CA 0.417 58.562 58.100 0.075 0.000 1.237 442 Y CB -0.263 38.279 38.460 0.136 0.000 1.307 442 Y HN 0.324 nan 8.280 nan 0.000 0.580 443 G N 2.129 111.007 108.800 0.130 0.000 2.582 443 G HA2 -0.414 3.546 3.960 -0.000 0.000 0.300 443 G HA3 -0.414 3.546 3.960 -0.000 0.000 0.300 443 G C 1.465 176.403 174.900 0.063 0.000 1.300 443 G CA 0.788 45.935 45.100 0.078 0.000 0.959 443 G HN 0.483 nan 8.290 nan 0.000 0.548 444 R N 0.421 120.946 120.500 0.041 0.000 2.127 444 R HA -0.122 4.218 4.340 -0.000 0.000 0.238 444 R C 1.935 178.252 176.300 0.028 0.000 1.134 444 R CA 2.078 58.189 56.100 0.017 0.000 0.975 444 R CB -0.632 29.673 30.300 0.008 0.000 0.865 444 R HN 0.482 nan 8.270 nan 0.000 0.447 445 N N 1.086 119.822 118.700 0.059 0.000 2.106 445 N HA -0.068 4.672 4.740 -0.000 0.000 0.188 445 N C 1.995 177.547 175.510 0.071 0.000 1.029 445 N CA 1.635 54.724 53.050 0.065 0.000 0.848 445 N CB -0.842 37.696 38.487 0.085 0.000 1.007 445 N HN 0.441 nan 8.380 nan 0.000 0.423 446 G N 1.193 110.062 108.800 0.114 0.000 2.574 446 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.220 446 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.220 446 G C 1.607 176.453 174.900 -0.091 0.000 1.173 446 G CA 1.463 46.595 45.100 0.053 0.000 0.772 446 G HN 0.236 nan 8.290 nan 0.000 0.585 447 V N 0.823 120.712 119.914 -0.042 0.000 2.469 447 V HA -0.175 3.945 4.120 -0.000 0.000 0.251 447 V C 2.537 178.661 176.094 0.050 0.000 1.064 447 V CA 2.281 64.581 62.300 -0.001 0.000 1.066 447 V CB -0.341 31.455 31.823 -0.045 0.000 0.667 447 V HN 0.627 nan 8.190 nan 0.000 0.461 448 E N 0.686 120.911 120.200 0.041 0.000 2.051 448 E HA -0.257 4.093 4.350 -0.000 0.000 0.189 448 E C 2.249 178.917 176.600 0.113 0.000 0.979 448 E CA 1.239 57.675 56.400 0.060 0.000 0.803 448 E CB -0.025 29.696 29.700 0.035 0.000 0.761 448 E HN 0.456 nan 8.360 nan 0.000 0.451 449 K N 1.234 121.707 120.400 0.122 0.000 2.074 449 K HA -0.134 4.186 4.320 -0.000 0.000 0.209 449 K C 1.822 178.567 176.600 0.241 0.000 1.048 449 K CA 1.804 58.189 56.287 0.162 0.000 0.926 449 K CB -0.668 31.941 32.500 0.182 0.000 0.713 449 K HN 0.173 nan 8.250 nan 0.000 0.444 450 A N 0.565 123.566 122.820 0.300 0.000 1.902 450 A HA -0.104 4.215 4.320 -0.000 0.000 0.217 450 A C 2.316 180.082 177.584 0.304 0.000 1.181 450 A CA 1.764 53.998 52.037 0.329 0.000 0.623 450 A CB -0.668 18.395 19.000 0.105 0.000 0.818 450 A HN 0.379 nan 8.150 nan 0.000 0.443 451 I N 0.388 121.186 120.570 0.380 0.000 2.127 451 I HA -0.318 3.851 4.170 -0.000 0.000 0.241 451 I C 2.690 179.004 176.117 0.328 0.000 1.075 451 I CA 1.941 63.503 61.300 0.437 0.000 1.334 451 I CB -0.464 37.706 38.000 0.284 0.000 1.040 451 I HN 0.561 nan 8.210 nan 0.000 0.405 452 E N 1.070 121.392 120.200 0.203 0.000 2.077 452 E HA -0.235 4.115 4.350 -0.000 0.000 0.193 452 E C 2.303 178.973 176.600 0.117 0.000 0.989 452 E CA 1.392 57.878 56.400 0.144 0.000 0.800 452 E CB -0.520 29.235 29.700 0.092 0.000 0.746 452 E HN 0.502 nan 8.360 nan 0.000 0.452 453 I N 0.882 121.514 120.570 0.103 0.000 2.113 453 I HA -0.304 3.866 4.170 -0.000 0.000 0.242 453 I C 2.629 178.753 176.117 0.011 0.000 1.064 453 I CA 1.102 62.429 61.300 0.046 0.000 1.320 453 I CB -0.217 37.810 38.000 0.045 0.000 1.028 453 I HN 0.123 nan 8.210 nan 0.000 0.406 454 L N 0.710 121.921 121.223 -0.019 0.000 2.093 454 L HA -0.190 4.150 4.340 -0.000 0.000 0.208 454 L C 2.598 179.485 176.870 0.028 0.000 1.085 454 L CA 1.670 56.432 54.840 -0.131 0.000 0.755 454 L CB -0.718 41.053 42.059 -0.479 0.000 0.904 454 L HN 0.104 nan 8.230 nan 0.000 0.435 455 R N -0.608 120.006 120.500 0.191 0.000 2.096 455 R HA -0.165 4.175 4.340 -0.000 0.000 0.235 455 R C 1.612 177.977 176.300 0.108 0.000 1.127 455 R CA 1.860 58.096 56.100 0.227 0.000 0.968 455 R CB -0.214 30.212 30.300 0.210 0.000 0.861 455 R HN 0.418 nan 8.270 nan 0.000 0.440 456 D N 0.191 120.632 120.400 0.069 0.000 2.137 456 D HA -0.095 4.545 4.640 -0.000 0.000 0.202 456 D C 1.719 178.029 176.300 0.017 0.000 0.970 456 D CA 0.918 54.939 54.000 0.036 0.000 0.837 456 D CB -0.148 40.667 40.800 0.026 0.000 0.981 456 D HN 0.347 nan 8.370 nan 0.000 0.475 457 E N 0.278 120.481 120.200 0.005 0.000 2.097 457 E HA -0.148 4.201 4.350 -0.000 0.000 0.196 457 E C 2.165 178.762 176.600 -0.006 0.000 1.000 457 E CA 0.672 57.065 56.400 -0.012 0.000 0.804 457 E CB -0.061 29.617 29.700 -0.037 0.000 0.740 457 E HN 0.339 nan 8.360 nan 0.000 0.454 458 I N 0.508 121.088 120.570 0.017 0.000 2.500 458 I HA -0.179 3.991 4.170 -0.000 0.000 0.252 458 I C 2.351 178.477 176.117 0.016 0.000 1.142 458 I CA 0.835 62.152 61.300 0.028 0.000 1.451 458 I CB -0.050 38.002 38.000 0.087 0.000 1.093 458 I HN 0.070 nan 8.210 nan 0.000 0.430 459 E N 0.715 120.928 120.200 0.021 0.000 2.112 459 E HA -0.201 4.149 4.350 -0.000 0.000 0.190 459 E C 2.233 178.828 176.600 -0.009 0.000 0.979 459 E CA 0.794 57.201 56.400 0.012 0.000 0.814 459 E CB 0.091 29.804 29.700 0.022 0.000 0.762 459 E HN 0.373 nan 8.360 nan 0.000 0.460 460 M N -0.347 119.245 119.600 -0.014 0.000 2.156 460 M HA -0.071 4.409 4.480 -0.000 0.000 0.264 460 M C 1.877 178.145 176.300 -0.052 0.000 1.067 460 M CA 1.408 56.693 55.300 -0.025 0.000 1.131 460 M CB 0.246 32.835 32.600 -0.019 0.000 1.368 460 M HN -0.100 nan 8.290 nan 0.000 0.416 461 S N 0.340 115.999 115.700 -0.069 0.000 2.461 461 S HA 0.018 4.488 4.470 -0.000 0.000 0.228 461 S C 1.772 176.266 174.600 -0.178 0.000 1.005 461 S CA 0.866 58.985 58.200 -0.135 0.000 0.942 461 S CB -0.211 62.904 63.200 -0.142 0.000 0.776 461 S HN 0.514 nan 8.310 nan 0.000 0.514 462 M N 0.733 120.269 119.600 -0.108 0.000 2.099 462 M HA -0.090 4.389 4.480 -0.000 0.000 0.262 462 M C 2.382 178.634 176.300 -0.080 0.000 1.067 462 M CA 1.383 56.629 55.300 -0.089 0.000 1.124 462 M CB -0.159 32.417 32.600 -0.040 0.000 1.353 462 M HN 0.160 nan 8.290 nan 0.000 0.410 463 R N -0.141 120.323 120.500 -0.060 0.000 2.073 463 R HA -0.155 4.185 4.340 -0.000 0.000 0.234 463 R C 1.831 178.098 176.300 -0.055 0.000 1.134 463 R CA 1.284 57.358 56.100 -0.044 0.000 0.952 463 R CB -0.208 30.073 30.300 -0.032 0.000 0.850 463 R HN 0.221 nan 8.270 nan 0.000 0.433 464 L N 0.265 121.443 121.223 -0.075 0.000 2.313 464 L HA -0.035 4.305 4.340 -0.000 0.000 0.214 464 L C 1.913 178.716 176.870 -0.112 0.000 1.119 464 L CA 1.235 56.027 54.840 -0.080 0.000 0.809 464 L CB -0.434 41.575 42.059 -0.084 0.000 0.933 464 L HN 0.237 nan 8.230 nan 0.000 0.449 465 L N -0.499 120.628 121.223 -0.160 0.000 2.313 465 L HA 0.042 4.382 4.340 -0.000 0.000 0.214 465 L C 1.088 177.907 176.870 -0.085 0.000 1.119 465 L CA 0.804 55.537 54.840 -0.177 0.000 0.809 465 L CB -0.316 41.603 42.059 -0.233 0.000 0.933 465 L HN 0.541 nan 8.230 nan 0.000 0.449 466 G N 0.785 109.548 108.800 -0.062 0.000 2.248 466 G HA2 -0.200 3.759 3.960 -0.000 0.000 0.263 466 G HA3 -0.200 3.759 3.960 -0.000 0.000 0.263 466 G C -0.172 174.714 174.900 -0.023 0.000 1.082 466 G CA 0.279 45.360 45.100 -0.032 0.000 0.863 466 G HN 0.356 nan 8.290 nan 0.000 0.495 467 V N -3.997 115.902 119.914 -0.026 0.000 3.159 467 V HA 0.951 5.071 4.120 -0.000 0.000 0.308 467 V C 0.575 176.663 176.094 -0.010 0.000 1.190 467 V CA 0.271 62.564 62.300 -0.013 0.000 1.037 467 V CB 1.710 33.528 31.823 -0.008 0.000 1.060 467 V HN 0.945 nan 8.190 nan 0.000 0.437 468 T N -2.278 112.276 114.554 -0.000 0.000 2.986 468 T HA 0.387 4.737 4.350 -0.000 0.000 0.264 468 T C 0.560 175.267 174.700 0.011 0.000 0.964 468 T CA 0.560 62.662 62.100 0.004 0.000 0.895 468 T CB -0.120 68.751 68.868 0.005 0.000 1.163 468 T HN 1.499 nan 8.240 nan 0.000 0.517 469 S N 0.563 116.271 115.700 0.013 0.000 2.569 469 S HA 0.620 5.090 4.470 -0.000 0.000 0.280 469 S C 0.767 175.379 174.600 0.020 0.000 1.111 469 S CA -0.981 57.230 58.200 0.019 0.000 0.887 469 S CB 1.225 64.438 63.200 0.023 0.000 1.095 469 S HN -0.085 nan 8.310 nan 0.000 0.476 470 I N 1.337 121.921 120.570 0.023 0.000 2.248 470 I HA -0.201 3.969 4.170 -0.000 0.000 0.248 470 I C 2.774 178.907 176.117 0.027 0.000 1.107 470 I CA 2.082 63.398 61.300 0.027 0.000 1.373 470 I CB -2.169 35.847 38.000 0.027 0.000 1.055 470 I HN 0.904 nan 8.210 nan 0.000 0.418 471 A N 0.454 123.289 122.820 0.024 0.000 2.070 471 A HA -0.180 4.140 4.320 -0.000 0.000 0.220 471 A C 2.122 179.719 177.584 0.022 0.000 1.159 471 A CA 1.366 53.417 52.037 0.023 0.000 0.656 471 A CB -0.560 18.454 19.000 0.023 0.000 0.800 471 A HN 0.534 nan 8.150 nan 0.000 0.453 472 E N -0.516 119.696 120.200 0.021 0.000 2.442 472 E HA 0.150 4.500 4.350 -0.000 0.000 0.195 472 E C -0.246 176.369 176.600 0.024 0.000 1.030 472 E CA -0.285 56.127 56.400 0.020 0.000 0.869 472 E CB -0.057 29.652 29.700 0.015 0.000 0.857 472 E HN 0.545 nan 8.360 nan 0.000 0.505 473 L N 2.774 124.014 121.223 0.028 0.000 2.704 473 L HA 0.027 4.367 4.340 -0.000 0.000 0.279 473 L C 0.227 177.124 176.870 0.046 0.000 1.147 473 L CA 0.570 55.434 54.840 0.039 0.000 0.994 473 L CB -0.231 41.856 42.059 0.046 0.000 1.332 473 L HN -0.026 nan 8.230 nan 0.000 0.471 474 K N 3.693 124.122 120.400 0.049 0.000 2.346 474 K HA 0.433 4.753 4.320 -0.000 0.000 0.238 474 K C -1.819 174.817 176.600 0.060 0.000 1.039 474 K CA -1.800 54.515 56.287 0.047 0.000 0.861 474 K CB 1.240 33.761 32.500 0.036 0.000 1.278 474 K HN -0.091 nan 8.250 nan 0.000 0.460 475 P HA -0.208 nan 4.420 nan 0.000 0.219 475 P C 0.525 177.862 177.300 0.060 0.000 1.146 475 P CA 1.368 64.501 63.100 0.055 0.000 0.808 475 P CB 0.076 31.799 31.700 0.039 0.000 0.779 476 D N -0.938 119.494 120.400 0.053 0.000 2.371 476 D HA -0.101 4.539 4.640 -0.000 0.000 0.221 476 D C 1.436 177.778 176.300 0.069 0.000 0.986 476 D CA 0.634 54.665 54.000 0.052 0.000 0.899 476 D CB -0.518 40.305 40.800 0.038 0.000 0.902 476 D HN 0.095 nan 8.370 nan 0.000 0.530 477 L N 0.098 121.373 121.223 0.087 0.000 2.418 477 L HA 0.226 4.566 4.340 -0.000 0.000 0.218 477 L C 0.934 177.922 176.870 0.195 0.000 1.125 477 L CA 0.511 55.424 54.840 0.122 0.000 0.835 477 L CB -0.220 41.906 42.059 0.111 0.000 0.953 477 L HN 0.087 nan 8.230 nan 0.000 0.454 478 L N -0.403 120.915 121.223 0.159 0.000 2.325 478 L HA 0.301 4.641 4.340 -0.000 0.000 0.278 478 L C -0.413 176.520 176.870 0.104 0.000 1.023 478 L CA -0.763 54.167 54.840 0.150 0.000 0.811 478 L CB 1.565 43.685 42.059 0.101 0.000 1.249 478 L HN -0.090 nan 8.230 nan 0.000 0.431 479 D N 3.344 123.803 120.400 0.098 0.000 2.313 479 D HA 0.248 4.888 4.640 -0.000 0.000 0.239 479 D C 0.128 176.460 176.300 0.054 0.000 1.142 479 D CA -0.093 53.951 54.000 0.073 0.000 0.847 479 D CB 1.269 42.120 40.800 0.084 0.000 1.082 479 D HN 0.364 nan 8.370 nan 0.000 0.480 480 L N 2.898 124.142 121.223 0.034 0.000 2.769 480 L HA 0.061 4.401 4.340 -0.000 0.000 0.240 480 L C 2.101 178.979 176.870 0.012 0.000 1.163 480 L CA -0.103 54.751 54.840 0.022 0.000 0.962 480 L CB 0.079 42.148 42.059 0.017 0.000 1.258 480 L HN 0.350 nan 8.230 nan 0.000 0.513 481 S N -1.221 114.483 115.700 0.006 0.000 2.465 481 S HA -0.154 4.316 4.470 -0.000 0.000 0.241 481 S C 1.533 176.127 174.600 -0.011 0.000 1.000 481 S CA 1.437 59.633 58.200 -0.007 0.000 0.964 481 S CB -0.601 62.587 63.200 -0.019 0.000 0.763 481 S HN 0.541 nan 8.310 nan 0.000 0.512 482 T N -2.271 112.281 114.554 -0.003 0.000 3.288 482 T HA 0.415 4.765 4.350 -0.000 0.000 0.293 482 T C 1.024 175.731 174.700 0.011 0.000 1.008 482 T CA -0.450 61.649 62.100 -0.002 0.000 0.929 482 T CB -0.336 68.523 68.868 -0.015 0.000 1.152 482 T HN 0.241 nan 8.240 nan 0.000 0.517 483 L N 0.252 121.479 121.223 0.007 0.000 2.137 483 L HA -0.037 4.303 4.340 -0.000 0.000 0.213 483 L C 1.972 178.838 176.870 -0.007 0.000 1.085 483 L CA 1.386 56.224 54.840 -0.004 0.000 0.760 483 L CB -0.079 41.972 42.059 -0.013 0.000 0.893 483 L HN 0.205 nan 8.230 nan 0.000 0.434 484 K N -0.520 119.878 120.400 -0.003 0.000 2.437 484 K HA 0.215 4.535 4.320 -0.000 0.000 0.205 484 K C 0.443 177.044 176.600 0.002 0.000 1.026 484 K CA 0.166 56.452 56.287 -0.002 0.000 1.153 484 K CB 0.509 33.007 32.500 -0.003 0.000 0.863 484 K HN 0.129 nan 8.250 nan 0.000 0.502 485 A N 1.146 123.969 122.820 0.005 0.000 3.105 485 A HA 0.149 4.468 4.320 -0.000 0.000 0.272 485 A C -0.038 177.555 177.584 0.014 0.000 1.466 485 A CA -0.346 51.695 52.037 0.008 0.000 1.101 485 A CB -0.568 18.436 19.000 0.007 0.000 1.065 485 A HN 0.192 nan 8.150 nan 0.000 0.643 486 R N 1.614 122.122 120.500 0.014 0.000 2.272 486 R HA 0.276 4.616 4.340 -0.000 0.000 0.334 486 R C -0.431 175.884 176.300 0.025 0.000 1.117 486 R CA 0.389 56.502 56.100 0.021 0.000 0.966 486 R CB 0.091 30.405 30.300 0.023 0.000 1.049 486 R HN 0.460 nan 8.270 nan 0.000 0.477 487 T N -0.119 114.451 114.554 0.026 0.000 2.918 487 T HA 0.476 4.825 4.350 -0.000 0.000 0.286 487 T C -0.289 174.429 174.700 0.029 0.000 1.026 487 T CA -0.820 61.293 62.100 0.022 0.000 1.031 487 T CB 2.105 70.982 68.868 0.015 0.000 1.046 487 T HN 0.156 nan 8.240 nan 0.000 0.479 488 V N 2.040 121.968 119.914 0.024 0.000 2.376 488 V HA 0.651 4.771 4.120 -0.000 0.000 0.287 488 V C 1.014 177.117 176.094 0.014 0.000 1.015 488 V CA -0.767 61.549 62.300 0.026 0.000 0.834 488 V CB 1.142 32.983 31.823 0.030 0.000 1.001 488 V HN 1.246 nan 8.190 nan 0.000 0.428 489 G N 2.842 111.650 108.800 0.013 0.000 2.569 489 G HA2 0.441 4.401 3.960 -0.000 0.000 0.249 489 G HA3 0.441 4.401 3.960 -0.000 0.000 0.249 489 G C 0.066 174.966 174.900 0.000 0.000 1.216 489 G CA -0.094 45.008 45.100 0.003 0.000 0.845 489 G HN 0.979 nan 8.290 nan 0.000 0.568 490 V N 0.890 120.798 119.914 -0.009 0.000 2.775 490 V HA 0.490 4.610 4.120 -0.000 0.000 0.299 490 V C -1.571 174.518 176.094 -0.009 0.000 1.062 490 V CA -1.547 60.746 62.300 -0.011 0.000 1.063 490 V CB 0.699 32.510 31.823 -0.020 0.000 0.994 490 V HN 0.673 nan 8.190 nan 0.000 0.483 491 P HA 0.216 nan 4.420 nan 0.000 0.269 491 P C -0.602 176.696 177.300 -0.004 0.000 1.209 491 P CA -0.047 63.054 63.100 0.002 0.000 0.776 491 P CB 0.022 31.726 31.700 0.006 0.000 0.876 492 N N 1.007 119.709 118.700 0.004 0.000 2.458 492 N HA -0.016 4.724 4.740 -0.000 0.000 0.258 492 N C 0.226 175.742 175.510 0.010 0.000 1.219 492 N CA 0.108 53.160 53.050 0.004 0.000 0.902 492 N CB 0.100 38.597 38.487 0.018 0.000 1.076 492 N HN 0.434 nan 8.380 nan 0.000 0.455 493 D N 2.835 123.236 120.400 0.002 0.000 2.367 493 D HA 0.014 4.654 4.640 -0.000 0.000 0.255 493 D C 0.896 177.245 176.300 0.083 0.000 1.300 493 D CA -0.080 53.936 54.000 0.027 0.000 0.959 493 D CB 0.505 41.297 40.800 -0.013 0.000 1.064 493 D HN 0.210 nan 8.370 nan 0.000 0.509 494 V N 4.662 124.616 119.914 0.066 0.000 2.332 494 V HA -0.250 3.869 4.120 -0.000 0.000 0.248 494 V C 2.484 178.631 176.094 0.088 0.000 1.055 494 V CA 1.348 63.689 62.300 0.068 0.000 1.038 494 V CB -0.310 31.542 31.823 0.049 0.000 0.651 494 V HN 0.593 nan 8.190 nan 0.000 0.450 495 L N -1.748 119.533 121.223 0.096 0.000 2.072 495 L HA -0.149 4.191 4.340 -0.000 0.000 0.205 495 L C 2.467 179.405 176.870 0.113 0.000 1.079 495 L CA 1.705 56.599 54.840 0.088 0.000 0.752 495 L CB -0.630 41.476 42.059 0.078 0.000 0.906 495 L HN 0.364 nan 8.230 nan 0.000 0.436 496 Y N 1.109 121.427 120.300 0.029 0.000 2.207 496 Y HA -0.264 4.286 4.550 -0.000 0.000 0.287 496 Y C 2.162 178.100 175.900 0.063 0.000 1.156 496 Y CA 1.987 60.108 58.100 0.036 0.000 1.182 496 Y CB -0.301 38.165 38.460 0.009 0.000 0.979 496 Y HN 0.246 nan 8.280 nan 0.000 0.521 497 N N -0.813 118.045 118.700 0.263 0.000 2.395 497 N HA -0.085 4.654 4.740 -0.000 0.000 0.175 497 N C 1.661 177.260 175.510 0.149 0.000 1.029 497 N CA 0.557 53.737 53.050 0.217 0.000 0.897 497 N CB -0.038 38.551 38.487 0.169 0.000 0.991 497 N HN 0.403 nan 8.380 nan 0.000 0.441 498 E N 0.739 120.998 120.200 0.098 0.000 2.047 498 E HA -0.139 4.211 4.350 -0.000 0.000 0.191 498 E C 1.906 178.528 176.600 0.038 0.000 0.987 498 E CA 1.230 57.667 56.400 0.061 0.000 0.799 498 E CB 0.248 29.974 29.700 0.044 0.000 0.752 498 E HN 0.248 nan 8.360 nan 0.000 0.449 499 V N -1.146 118.777 119.914 0.014 0.000 3.129 499 V HA -0.025 4.095 4.120 -0.000 0.000 0.259 499 V C 0.991 177.062 176.094 -0.039 0.000 1.116 499 V CA 0.253 62.537 62.300 -0.027 0.000 1.127 499 V CB -1.087 30.704 31.823 -0.053 0.000 0.742 499 V HN 0.175 nan 8.190 nan 0.000 0.474 500 Y N 2.752 122.971 120.300 -0.135 0.000 2.497 500 Y HA 0.294 4.844 4.550 -0.000 0.000 0.334 500 Y C 0.470 176.335 175.900 -0.059 0.000 1.199 500 Y CA -0.007 58.016 58.100 -0.127 0.000 1.425 500 Y CB 0.454 38.855 38.460 -0.099 0.000 1.291 500 Y HN 0.392 nan 8.280 nan 0.000 0.562 501 E N 4.595 124.293 120.200 -0.837 0.000 2.176 501 E HA 0.343 4.693 4.350 -0.000 0.000 0.267 501 E C -0.220 175.714 176.600 -1.111 0.000 0.893 501 E CA -0.808 55.184 56.400 -0.680 0.000 0.761 501 E CB 1.638 31.117 29.700 -0.368 0.000 1.133 501 E HN 0.889 nan 8.360 nan 0.000 0.409 502 G N 3.233 111.711 108.800 -0.536 0.000 2.634 502 G HA2 0.308 4.268 3.960 -0.000 0.000 0.255 502 G HA3 0.308 4.268 3.960 -0.000 0.000 0.255 502 G C -2.032 172.788 174.900 -0.134 0.000 1.205 502 G CA -0.730 44.263 45.100 -0.180 0.000 0.884 502 G HN 0.274 nan 8.290 nan 0.000 0.549 503 P HA 0.284 nan 4.420 nan 0.000 0.270 503 P C -0.250 177.040 177.300 -0.018 0.000 1.227 503 P CA 0.027 63.118 63.100 -0.016 0.000 0.788 503 P CB 0.606 32.319 31.700 0.022 0.000 0.926 504 T N 0.459 115.000 114.554 -0.022 0.000 2.893 504 T HA 0.480 4.830 4.350 -0.000 0.000 0.293 504 T C -0.109 174.577 174.700 -0.022 0.000 1.027 504 T CA -0.665 61.421 62.100 -0.022 0.000 0.988 504 T CB 0.762 69.612 68.868 -0.031 0.000 1.043 504 T HN 0.125 nan 8.240 nan 0.000 0.461 505 L N 1.707 122.917 121.223 -0.022 0.000 2.417 505 L HA 0.357 4.697 4.340 -0.000 0.000 0.268 505 L C 1.375 178.214 176.870 -0.052 0.000 1.158 505 L CA -0.450 54.369 54.840 -0.035 0.000 0.819 505 L CB 0.597 42.636 42.059 -0.034 0.000 1.112 505 L HN 0.634 nan 8.230 nan 0.000 0.458 506 T N 0.559 115.069 114.554 -0.075 0.000 2.855 506 T HA -0.034 4.316 4.350 -0.000 0.000 0.322 506 T C 0.923 175.536 174.700 -0.145 0.000 1.088 506 T CA 0.271 62.312 62.100 -0.097 0.000 1.104 506 T CB 0.573 69.374 68.868 -0.111 0.000 0.996 506 T HN 0.745 nan 8.240 nan 0.000 0.549 507 E N 1.042 121.160 120.200 -0.136 0.000 2.332 507 E HA 0.302 4.652 4.350 -0.000 0.000 0.202 507 E C -0.294 176.294 176.600 -0.020 0.000 0.877 507 E CA -0.122 56.233 56.400 -0.076 0.000 0.979 507 E CB 0.384 30.085 29.700 0.001 0.000 0.969 507 E HN 0.733 nan 8.360 nan 0.000 0.495 508 F N -0.858 119.089 119.950 -0.004 0.000 2.183 508 F HA -0.288 4.239 4.527 -0.000 0.000 0.318 508 F C 0.755 176.553 175.800 -0.004 0.000 0.769 508 F CA 0.279 58.277 58.000 -0.004 0.000 0.912 508 F CB -0.471 38.527 39.000 -0.004 0.000 4.135 508 F HN -0.059 nan 8.300 nan 0.000 0.137 509 E N -0.747 119.589 120.200 0.226 0.000 3.343 509 E HA 0.390 4.740 4.350 -0.000 0.000 0.221 509 E C 0.471 177.106 176.600 0.058 0.000 1.224 509 E CA 0.627 57.091 56.400 0.107 0.000 1.057 509 E CB 0.147 29.899 29.700 0.087 0.000 3.107 509 E HN 0.694 nan 8.360 nan 0.000 0.568 510 D N 0.361 120.784 120.400 0.038 0.000 2.816 510 D HA 0.673 5.313 4.640 -0.000 0.000 0.139 510 D C 0.577 176.880 176.300 0.005 0.000 1.328 510 D CA 0.157 54.168 54.000 0.018 0.000 1.565 510 D CB -0.911 nan 40.800 nan 0.000 1.687 510 D HN 0.412 nan 8.370 nan 0.000 0.184 511 A N 0.000 122.822 122.820 0.004 0.000 2.254 511 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 511 A CA 0.000 52.035 52.037 -0.003 0.000 0.836 511 A CB 0.000 19.000 19.000 -0.000 0.000 0.831 511 A HN 0.000 nan 8.150 nan 0.000 0.486