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 3kas_1_A DATA FIRST_RESID 121 DATA SEQUENCE RLYWDDLKRK LSEKLDSTDF TSTIKLLNEN SYVPREAGSQ KDENLALYVE DATA SEQUENCE NQFREFKLSK VWRDQHFVKI QVKDSAQNSV IIVDKNGRLV YLVENPGGYV DATA SEQUENCE AYSKAATVTG KLVHANFGTK KDFEDLYTPV NGSIVIVRAG KITFAEKVAN DATA SEQUENCE AESLNAIGVL IYMDQTKFPI VNAELSFFGH AHLGTGDPYT PGFPSXXXTQ DATA SEQUENCE FPPSRSSGLP NIPVQTISRA AAEKLFGNME GDcPSDWKTD STcRMVTSES DATA SEQUENCE KNVKLTVSNV LKEIKILNIF GVIKGFVEPD HYVVVGAQRD AWGPGAAKSG DATA SEQUENCE VGTALLLKLA QMFSDMVLKD GFQPSRSIIF ASWSAGDFGS VGATEWLEGY DATA SEQUENCE LSSLHLKAFT YINLDKAVLG TSNFKVSASP LLYTLIEKTM QNVKHPVTGQ DATA SEQUENCE FLYQDSNWAS KVEKLTLDNA AFPFLAYSGI PAVSFCFCED TDYPYLGTTM DATA SEQUENCE DTYKELIERI PELNKVARAA AEVAGQFVIK LTHDVELNLD YERYNSQLLS DATA SEQUENCE FVRDLNQYRA DIKEMGLSLQ WLYSARGDFF RATSRLTTDF GNAEKTDRFV DATA SEQUENCE MKKLNDRVMR VEYHFLSPYV SPKESPFRHV FWGSGSHTLP ALLENLKLRK DATA SEQUENCE QNNGAFNETL FRNQLALATW TIQGAANALS GDVWDI 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 121 R HA 0.000 nan 4.340 nan 0.000 0.208 121 R C 0.000 176.270 176.300 -0.050 0.000 0.893 121 R CA 0.000 56.078 56.100 -0.038 0.000 0.921 121 R CB 0.000 30.260 30.300 -0.066 0.000 0.687 122 L N 3.129 124.376 121.223 0.040 0.000 2.365 122 L HA 0.570 4.926 4.340 0.026 0.000 0.267 122 L C -0.422 176.450 176.870 0.004 0.000 1.033 122 L CA -1.161 53.686 54.840 0.011 0.000 0.802 122 L CB 0.997 43.099 42.059 0.072 0.000 1.267 122 L HN 0.541 nan 8.230 nan 0.000 0.457 123 Y N -0.542 119.821 120.300 0.105 0.000 2.299 123 Y HA -0.035 4.529 4.550 0.023 0.000 0.326 123 Y C 0.851 176.767 175.900 0.026 0.000 1.164 123 Y CA -0.081 58.092 58.100 0.121 0.000 1.234 123 Y CB 1.141 39.649 38.460 0.079 0.000 1.219 123 Y HN 0.600 nan 8.280 nan 0.000 0.497 124 W N 3.445 124.779 121.300 0.057 0.000 2.305 124 W HA -0.300 4.380 4.660 0.033 0.000 0.308 124 W C 0.691 177.170 176.519 -0.066 0.000 1.226 124 W CA 2.165 59.430 57.345 -0.133 0.000 1.253 124 W CB 0.010 29.450 29.460 -0.033 0.000 1.146 124 W HN 0.708 nan 8.180 nan 0.000 0.507 125 D N 0.672 120.999 120.400 -0.121 0.000 2.123 125 D HA -0.201 4.455 4.640 0.026 0.000 0.196 125 D C 1.610 177.755 176.300 -0.259 0.000 0.992 125 D CA 1.946 55.800 54.000 -0.242 0.000 0.833 125 D CB -0.662 40.091 40.800 -0.079 0.000 0.954 125 D HN 0.247 nan 8.370 nan 0.000 0.455 126 D N 0.219 120.536 120.400 -0.138 0.000 2.123 126 D HA -0.059 4.596 4.640 0.026 0.000 0.200 126 D C 2.452 178.615 176.300 -0.230 0.000 0.976 126 D CA 0.267 54.192 54.000 -0.125 0.000 0.831 126 D CB -0.341 40.452 40.800 -0.010 0.000 0.974 126 D HN 0.239 nan 8.370 nan 0.000 0.469 127 L N 0.707 121.742 121.223 -0.312 0.000 2.046 127 L HA -0.172 4.183 4.340 0.026 0.000 0.208 127 L C 2.545 179.101 176.870 -0.523 0.000 1.077 127 L CA 1.116 55.705 54.840 -0.419 0.000 0.747 127 L CB -0.309 41.462 42.059 -0.479 0.000 0.896 127 L HN -0.020 nan 8.230 nan 0.000 0.432 128 K N 0.084 120.037 120.400 -0.746 0.000 2.009 128 K HA -0.242 4.094 4.320 0.026 0.000 0.210 128 K C 2.379 178.745 176.600 -0.391 0.000 1.049 128 K CA 1.500 57.366 56.287 -0.701 0.000 0.929 128 K CB -0.069 31.912 32.500 -0.865 0.000 0.714 128 K HN 0.113 nan 8.250 nan 0.000 0.440 129 R N 0.636 120.948 120.500 -0.314 0.000 2.070 129 R HA -0.143 4.212 4.340 0.026 0.000 0.233 129 R C 2.117 178.306 176.300 -0.185 0.000 1.137 129 R CA 1.522 57.499 56.100 -0.205 0.000 0.945 129 R CB -0.029 30.177 30.300 -0.158 0.000 0.845 129 R HN 0.021 nan 8.270 nan 0.000 0.430 130 K N 0.877 121.161 120.400 -0.193 0.000 2.020 130 K HA -0.214 4.121 4.320 0.026 0.000 0.212 130 K C 2.125 178.609 176.600 -0.192 0.000 1.050 130 K CA 1.341 57.526 56.287 -0.168 0.000 0.929 130 K CB -0.817 31.588 32.500 -0.158 0.000 0.714 130 K HN 0.195 nan 8.250 nan 0.000 0.443 131 L N 1.243 122.319 121.223 -0.245 0.000 1.990 131 L HA -0.227 4.129 4.340 0.026 0.000 0.213 131 L C 2.530 179.283 176.870 -0.194 0.000 1.072 131 L CA 2.477 57.164 54.840 -0.255 0.000 0.755 131 L CB -1.115 40.782 42.059 -0.269 0.000 0.889 131 L HN 0.240 nan 8.230 nan 0.000 0.432 132 S N -0.525 115.070 115.700 -0.176 0.000 2.359 132 S HA -0.285 4.200 4.470 0.026 0.000 0.224 132 S C 1.974 176.509 174.600 -0.109 0.000 1.035 132 S CA 1.579 59.700 58.200 -0.131 0.000 1.018 132 S CB -0.664 62.460 63.200 -0.126 0.000 0.876 132 S HN 0.792 nan 8.310 nan 0.000 0.448 133 E N 0.326 120.458 120.200 -0.114 0.000 2.107 133 E HA -0.118 4.247 4.350 0.026 0.000 0.191 133 E C 2.050 178.593 176.600 -0.096 0.000 0.982 133 E CA 0.763 57.107 56.400 -0.093 0.000 0.809 133 E CB -0.313 29.336 29.700 -0.086 0.000 0.756 133 E HN 0.404 nan 8.360 nan 0.000 0.459 134 K N 0.886 121.215 120.400 -0.118 0.000 2.063 134 K HA -0.093 4.242 4.320 0.026 0.000 0.208 134 K C 2.328 178.855 176.600 -0.122 0.000 1.048 134 K CA 1.076 57.285 56.287 -0.130 0.000 0.928 134 K CB -0.273 32.126 32.500 -0.168 0.000 0.713 134 K HN 0.273 nan 8.250 nan 0.000 0.442 135 L N 1.156 122.320 121.223 -0.099 0.000 2.083 135 L HA -0.207 4.148 4.340 0.026 0.000 0.209 135 L C 1.926 178.790 176.870 -0.010 0.000 1.083 135 L CA 1.044 55.868 54.840 -0.027 0.000 0.752 135 L CB -0.425 41.633 42.059 -0.001 0.000 0.899 135 L HN 0.118 nan 8.230 nan 0.000 0.433 136 D N -0.319 120.056 120.400 -0.042 0.000 2.149 136 D HA -0.149 4.507 4.640 0.026 0.000 0.198 136 D C 2.065 178.339 176.300 -0.043 0.000 0.990 136 D CA 1.734 55.713 54.000 -0.035 0.000 0.839 136 D CB -0.010 40.761 40.800 -0.049 0.000 0.948 136 D HN 0.352 nan 8.370 nan 0.000 0.460 137 S N -1.112 114.546 115.700 -0.070 0.000 2.582 137 S HA 0.137 4.623 4.470 0.026 0.000 0.234 137 S C 0.554 175.077 174.600 -0.128 0.000 0.961 137 S CA -0.497 57.653 58.200 -0.082 0.000 0.953 137 S CB 0.236 63.389 63.200 -0.078 0.000 0.800 137 S HN -0.147 nan 8.310 nan 0.000 0.471 138 T N 3.022 117.472 114.554 -0.173 0.000 2.845 138 T HA 0.297 4.662 4.350 0.026 0.000 0.288 138 T C -0.860 173.601 174.700 -0.399 0.000 0.980 138 T CA -0.301 61.582 62.100 -0.362 0.000 1.071 138 T CB 1.151 69.670 68.868 -0.582 0.000 0.941 138 T HN 0.194 nan 8.240 nan 0.000 0.487 139 D N 2.263 122.429 120.400 -0.391 0.000 2.443 139 D HA 0.261 4.916 4.640 0.026 0.000 0.221 139 D C 0.070 176.199 176.300 -0.284 0.000 1.097 139 D CA -0.578 53.283 54.000 -0.231 0.000 0.865 139 D CB 0.273 40.998 40.800 -0.124 0.000 1.034 139 D HN 0.385 nan 8.370 nan 0.000 0.511 140 F N 0.741 120.686 119.950 -0.008 0.000 2.179 140 F HA -0.086 4.456 4.527 0.026 0.000 0.292 140 F C 2.746 178.563 175.800 0.028 0.000 1.089 140 F CA 1.060 59.062 58.000 0.004 0.000 1.295 140 F CB -0.422 38.576 39.000 -0.003 0.000 1.041 140 F HN 0.356 nan 8.300 nan 0.000 0.487 141 T N -2.752 111.941 114.554 0.232 0.000 2.803 141 T HA -0.185 4.181 4.350 0.026 0.000 0.269 141 T C 2.059 176.804 174.700 0.075 0.000 1.052 141 T CA 1.620 63.857 62.100 0.228 0.000 1.136 141 T CB -0.805 68.219 68.868 0.259 0.000 0.864 141 T HN 0.119 nan 8.240 nan 0.000 0.467 142 S N 1.319 117.028 115.700 0.016 0.000 2.356 142 S HA -0.099 4.386 4.470 0.026 0.000 0.223 142 S C 2.360 176.915 174.600 -0.076 0.000 1.032 142 S CA 1.701 59.865 58.200 -0.059 0.000 1.005 142 S CB -0.875 62.299 63.200 -0.044 0.000 0.867 142 S HN 0.701 nan 8.310 nan 0.000 0.449 143 T N 2.585 117.127 114.554 -0.019 0.000 2.777 143 T HA 0.065 4.431 4.350 0.026 0.000 0.266 143 T C 1.753 176.442 174.700 -0.018 0.000 1.040 143 T CA 1.001 63.099 62.100 -0.004 0.000 1.141 143 T CB -0.386 68.509 68.868 0.045 0.000 0.868 143 T HN 0.315 nan 8.240 nan 0.000 0.444 144 I N 0.845 121.432 120.570 0.029 0.000 2.226 144 I HA -0.185 4.000 4.170 0.026 0.000 0.245 144 I C 2.624 178.692 176.117 -0.082 0.000 1.100 144 I CA 1.316 62.649 61.300 0.055 0.000 1.374 144 I CB -0.340 37.783 38.000 0.206 0.000 1.057 144 I HN 0.184 nan 8.210 nan 0.000 0.413 145 K N 1.355 121.535 120.400 -0.367 0.000 2.026 145 K HA -0.189 4.146 4.320 0.026 0.000 0.208 145 K C 2.282 178.713 176.600 -0.282 0.000 1.048 145 K CA 1.277 57.156 56.287 -0.679 0.000 0.929 145 K CB -0.120 31.831 32.500 -0.915 0.000 0.713 145 K HN 0.241 nan 8.250 nan 0.000 0.439 146 L N 1.144 122.256 121.223 -0.185 0.000 2.042 146 L HA -0.171 4.184 4.340 0.026 0.000 0.210 146 L C 1.911 178.756 176.870 -0.041 0.000 1.076 146 L CA 1.247 56.023 54.840 -0.107 0.000 0.749 146 L CB -0.104 41.890 42.059 -0.108 0.000 0.893 146 L HN 0.261 nan 8.230 nan 0.000 0.432 147 L N -0.539 120.631 121.223 -0.089 0.000 2.551 147 L HA -0.150 4.205 4.340 0.026 0.000 0.228 147 L C 1.704 178.612 176.870 0.063 0.000 1.153 147 L CA 0.727 55.521 54.840 -0.077 0.000 0.851 147 L CB -0.572 41.417 42.059 -0.116 0.000 0.959 147 L HN 0.422 nan 8.230 nan 0.000 0.451 148 N N -0.056 118.661 118.700 0.028 0.000 2.268 148 N HA 0.028 4.784 4.740 0.026 0.000 0.204 148 N C 0.059 175.578 175.510 0.015 0.000 1.124 148 N CA -0.169 52.904 53.050 0.039 0.000 0.838 148 N CB 0.550 39.067 38.487 0.050 0.000 0.994 148 N HN 0.403 nan 8.380 nan 0.000 0.489 149 E N 0.024 120.236 120.200 0.019 0.000 2.345 149 E HA 0.100 4.466 4.350 0.026 0.000 0.259 149 E C 0.508 177.029 176.600 -0.133 0.000 1.117 149 E CA -0.589 55.769 56.400 -0.070 0.000 0.913 149 E CB 0.710 30.342 29.700 -0.113 0.000 1.057 149 E HN 0.160 nan 8.360 nan 0.000 0.432 150 N N 0.628 119.233 118.700 -0.158 0.000 2.272 150 N HA -0.149 4.607 4.740 0.026 0.000 0.185 150 N C 1.650 177.016 175.510 -0.241 0.000 1.014 150 N CA 0.800 53.755 53.050 -0.158 0.000 0.870 150 N CB -0.112 38.300 38.487 -0.125 0.000 0.975 150 N HN 0.240 nan 8.380 nan 0.000 0.433 151 S N -0.607 114.833 115.700 -0.433 0.000 2.442 151 S HA -0.085 4.401 4.470 0.026 0.000 0.236 151 S C 1.034 175.261 174.600 -0.621 0.000 1.007 151 S CA 1.025 58.850 58.200 -0.625 0.000 0.965 151 S CB -0.005 62.616 63.200 -0.964 0.000 0.773 151 S HN 0.475 nan 8.310 nan 0.000 0.504 152 Y N -1.495 118.750 120.300 -0.092 0.000 2.432 152 Y HA 0.338 4.904 4.550 0.026 0.000 0.252 152 Y C 1.905 177.764 175.900 -0.067 0.000 1.097 152 Y CA -0.353 57.697 58.100 -0.083 0.000 1.250 152 Y CB -0.134 38.261 38.460 -0.108 0.000 1.245 152 Y HN -0.058 nan 8.280 nan 0.000 0.522 153 V N 1.656 121.581 119.914 0.017 0.000 2.218 153 V HA -0.215 3.920 4.120 0.026 0.000 0.251 153 V C -1.798 174.285 176.094 -0.018 0.000 1.057 153 V CA 1.794 64.094 62.300 0.000 0.000 1.022 153 V CB -1.226 30.574 31.823 -0.039 0.000 0.645 153 V HN 0.145 nan 8.190 nan 0.000 0.451 154 P HA 0.315 nan 4.420 nan 0.000 0.285 154 P C -0.839 176.427 177.300 -0.056 0.000 1.448 154 P CA -0.292 62.749 63.100 -0.098 0.000 0.953 154 P CB 0.237 31.848 31.700 -0.149 0.000 1.175 155 R N 1.811 122.297 120.500 -0.024 0.000 2.983 155 R HA 0.345 4.700 4.340 0.026 0.000 0.300 155 R C -0.190 176.134 176.300 0.040 0.000 1.367 155 R CA -0.583 55.530 56.100 0.022 0.000 1.564 155 R CB 0.443 30.777 30.300 0.056 0.000 1.314 155 R HN 0.269 nan 8.270 nan 0.000 0.622 156 E N 1.739 121.955 120.200 0.026 0.000 2.415 156 E HA 0.135 4.500 4.350 0.026 0.000 0.262 156 E C -0.245 176.441 176.600 0.143 0.000 1.038 156 E CA -0.072 56.385 56.400 0.095 0.000 0.921 156 E CB 0.732 30.497 29.700 0.108 0.000 0.950 156 E HN 0.572 nan 8.360 nan 0.000 0.438 157 A N 3.057 126.016 122.820 0.232 0.000 2.567 157 A HA 0.336 4.671 4.320 0.026 0.000 0.240 157 A C 1.237 178.891 177.584 0.117 0.000 1.053 157 A CA 0.740 52.891 52.037 0.190 0.000 0.755 157 A CB -0.590 18.566 19.000 0.259 0.000 0.978 157 A HN 1.087 nan 8.150 nan 0.000 0.507 158 G N 1.571 110.419 108.800 0.081 0.000 2.241 158 G HA2 -0.209 3.766 3.960 0.026 0.000 0.244 158 G HA3 -0.209 3.766 3.960 0.026 0.000 0.244 158 G C 0.775 175.708 174.900 0.056 0.000 0.998 158 G CA 0.889 46.023 45.100 0.057 0.000 0.621 158 G HN 2.206 nan 8.290 nan 0.000 0.519 159 S N 0.060 115.797 115.700 0.061 0.000 2.596 159 S HA 0.461 4.946 4.470 0.026 0.000 0.260 159 S C 1.278 175.903 174.600 0.040 0.000 1.336 159 S CA 0.642 58.870 58.200 0.046 0.000 0.993 159 S CB 1.329 64.552 63.200 0.040 0.000 0.923 159 S HN 0.219 nan 8.310 nan 0.000 0.567 160 Q N 0.957 120.775 119.800 0.030 0.000 2.124 160 Q HA -0.083 4.272 4.340 0.026 0.000 0.202 160 Q C 2.045 178.066 176.000 0.035 0.000 0.977 160 Q CA 1.625 57.444 55.803 0.028 0.000 0.850 160 Q CB -0.339 28.407 28.738 0.014 0.000 0.901 160 Q HN 0.760 nan 8.270 nan 0.000 0.429 161 K N 0.410 120.828 120.400 0.031 0.000 2.057 161 K HA -0.168 4.168 4.320 0.026 0.000 0.206 161 K C 1.779 178.438 176.600 0.098 0.000 1.050 161 K CA 1.344 57.664 56.287 0.056 0.000 0.935 161 K CB -0.164 32.352 32.500 0.028 0.000 0.715 161 K HN 0.137 nan 8.250 nan 0.000 0.439 162 D N 1.317 121.758 120.400 0.069 0.000 2.133 162 D HA -0.222 4.433 4.640 0.026 0.000 0.195 162 D C 1.878 178.210 176.300 0.053 0.000 0.997 162 D CA 1.450 55.488 54.000 0.063 0.000 0.840 162 D CB 0.085 40.924 40.800 0.065 0.000 0.947 162 D HN 0.251 nan 8.370 nan 0.000 0.452 163 E N -0.794 119.437 120.200 0.051 0.000 2.150 163 E HA -0.191 4.175 4.350 0.026 0.000 0.193 163 E C 1.733 178.365 176.600 0.054 0.000 0.985 163 E CA 0.836 57.259 56.400 0.039 0.000 0.814 163 E CB 0.037 29.759 29.700 0.036 0.000 0.752 163 E HN 0.229 nan 8.360 nan 0.000 0.466 164 N N 0.762 119.515 118.700 0.089 0.000 2.043 164 N HA -0.183 4.573 4.740 0.026 0.000 0.193 164 N C 1.768 177.384 175.510 0.177 0.000 1.037 164 N CA 0.846 53.984 53.050 0.147 0.000 0.851 164 N CB -0.537 38.061 38.487 0.184 0.000 1.027 164 N HN 0.169 nan 8.380 nan 0.000 0.422 165 L N 1.199 122.506 121.223 0.140 0.000 2.046 165 L HA -0.024 4.331 4.340 0.026 0.000 0.208 165 L C 2.074 178.910 176.870 -0.056 0.000 1.077 165 L CA 1.539 56.333 54.840 -0.077 0.000 0.747 165 L CB -1.175 40.787 42.059 -0.161 0.000 0.896 165 L HN 0.168 nan 8.230 nan 0.000 0.432 166 A N -0.577 122.218 122.820 -0.042 0.000 1.917 166 A HA -0.232 4.103 4.320 0.026 0.000 0.219 166 A C 2.295 179.819 177.584 -0.100 0.000 1.182 166 A CA 2.238 54.222 52.037 -0.087 0.000 0.633 166 A CB -0.926 18.043 19.000 -0.053 0.000 0.819 166 A HN 0.511 nan 8.150 nan 0.000 0.448 167 L N -2.406 118.799 121.223 -0.031 0.000 2.093 167 L HA -0.166 4.190 4.340 0.026 0.000 0.208 167 L C 2.601 179.438 176.870 -0.056 0.000 1.085 167 L CA 1.720 56.541 54.840 -0.031 0.000 0.755 167 L CB -0.629 41.442 42.059 0.021 0.000 0.904 167 L HN 0.626 nan 8.230 nan 0.000 0.435 168 Y N 0.368 120.586 120.300 -0.137 0.000 2.145 168 Y HA -0.224 4.342 4.550 0.026 0.000 0.286 168 Y C 2.415 178.136 175.900 -0.298 0.000 1.145 168 Y CA 1.640 59.633 58.100 -0.178 0.000 1.148 168 Y CB -0.337 38.010 38.460 -0.188 0.000 0.981 168 Y HN -0.182 nan 8.280 nan 0.000 0.507 169 V N 1.138 120.849 119.914 -0.338 0.000 2.332 169 V HA -0.334 3.802 4.120 0.026 0.000 0.248 169 V C 2.438 178.014 176.094 -0.863 0.000 1.055 169 V CA 2.386 64.300 62.300 -0.644 0.000 1.038 169 V CB -0.753 30.727 31.823 -0.571 0.000 0.651 169 V HN 0.546 nan 8.190 nan 0.000 0.450 170 E N 0.150 120.017 120.200 -0.556 0.000 2.077 170 E HA -0.272 4.094 4.350 0.026 0.000 0.193 170 E C 2.206 178.619 176.600 -0.311 0.000 0.989 170 E CA 1.518 57.686 56.400 -0.388 0.000 0.800 170 E CB -0.242 29.339 29.700 -0.200 0.000 0.746 170 E HN 0.701 nan 8.360 nan 0.000 0.452 171 N N -0.236 118.258 118.700 -0.343 0.000 2.084 171 N HA -0.193 4.563 4.740 0.026 0.000 0.190 171 N C 1.951 177.189 175.510 -0.454 0.000 1.030 171 N CA 1.023 53.883 53.050 -0.318 0.000 0.849 171 N CB 0.040 38.358 38.487 -0.281 0.000 1.012 171 N HN 0.213 nan 8.380 nan 0.000 0.423 172 Q N 0.352 119.725 119.800 -0.711 0.000 2.077 172 Q HA -0.163 4.193 4.340 0.026 0.000 0.206 172 Q C 2.086 177.415 176.000 -1.119 0.000 0.989 172 Q CA 1.298 56.512 55.803 -0.983 0.000 0.853 172 Q CB -0.632 27.514 28.738 -0.986 0.000 0.907 172 Q HN 0.564 nan 8.270 nan 0.000 0.418 173 F N 0.583 120.112 119.950 -0.701 0.000 2.126 173 F HA -0.223 4.320 4.527 0.027 0.000 0.299 173 F C 2.612 178.253 175.800 -0.264 0.000 1.096 173 F CA 0.602 58.388 58.000 -0.356 0.000 1.255 173 F CB -0.086 38.827 39.000 -0.145 0.000 0.997 173 F HN 0.146 nan 8.300 nan 0.000 0.479 174 R N 0.436 120.898 120.500 -0.063 0.000 2.096 174 R HA -0.154 4.202 4.340 0.026 0.000 0.235 174 R C 1.847 178.095 176.300 -0.085 0.000 1.127 174 R CA 1.372 57.447 56.100 -0.043 0.000 0.968 174 R CB -0.407 29.863 30.300 -0.050 0.000 0.861 174 R HN 0.427 nan 8.270 nan 0.000 0.440 175 E N -0.030 120.032 120.200 -0.230 0.000 2.152 175 E HA -0.117 4.249 4.350 0.026 0.000 0.192 175 E C 1.598 178.186 176.600 -0.019 0.000 0.983 175 E CA 0.865 57.161 56.400 -0.173 0.000 0.818 175 E CB -0.050 29.492 29.700 -0.263 0.000 0.758 175 E HN 0.393 nan 8.360 nan 0.000 0.467 176 F N 0.902 120.856 119.950 0.007 0.000 2.502 176 F HA 0.005 4.547 4.527 0.026 0.000 0.298 176 F C 0.538 176.346 175.800 0.013 0.000 1.111 176 F CA 0.159 58.158 58.000 -0.001 0.000 1.445 176 F CB -0.058 38.928 39.000 -0.023 0.000 1.081 176 F HN -0.206 nan 8.300 nan 0.000 0.558 177 K N 1.161 121.661 120.400 0.166 0.000 3.181 177 K HA -0.176 4.160 4.320 0.026 0.000 0.269 177 K C -0.438 176.238 176.600 0.126 0.000 1.097 177 K CA -0.116 56.241 56.287 0.117 0.000 0.783 177 K CB -2.085 30.474 32.500 0.099 0.000 1.267 177 K HN 0.300 nan 8.250 nan 0.000 0.484 178 L N 0.116 121.419 121.223 0.133 0.000 2.464 178 L HA 0.050 4.406 4.340 0.026 0.000 0.264 178 L C 1.963 178.902 176.870 0.114 0.000 1.199 178 L CA -0.079 54.834 54.840 0.122 0.000 0.818 178 L CB 0.797 42.909 42.059 0.087 0.000 1.102 178 L HN 0.188 nan 8.230 nan 0.000 0.473 179 S N 0.227 115.993 115.700 0.110 0.000 2.372 179 S HA -0.201 4.285 4.470 0.026 0.000 0.227 179 S C 0.570 175.228 174.600 0.097 0.000 1.044 179 S CA 1.571 59.820 58.200 0.081 0.000 1.050 179 S CB -0.184 63.053 63.200 0.061 0.000 0.901 179 S HN 0.618 nan 8.310 nan 0.000 0.447 180 K N 0.056 120.549 120.400 0.156 0.000 2.543 180 K HA 0.492 4.828 4.320 0.026 0.000 0.255 180 K C -1.683 175.132 176.600 0.357 0.000 0.934 180 K CA -0.608 55.803 56.287 0.207 0.000 0.810 180 K CB 2.151 34.740 32.500 0.149 0.000 1.315 180 K HN 0.026 nan 8.250 nan 0.000 0.433 181 V N 2.752 122.873 119.914 0.345 0.000 2.680 181 V HA 0.944 5.080 4.120 0.026 0.000 0.309 181 V C -1.653 174.720 176.094 0.465 0.000 1.052 181 V CA -0.177 62.355 62.300 0.386 0.000 0.908 181 V CB 0.938 32.921 31.823 0.268 0.000 1.001 181 V HN 0.940 nan 8.190 nan 0.000 0.431 182 W N 3.827 125.233 121.300 0.178 0.000 2.988 182 W HA 0.839 5.514 4.660 0.025 0.000 0.355 182 W C -1.448 175.196 176.519 0.209 0.000 1.233 182 W CA -1.189 56.249 57.345 0.155 0.000 1.176 182 W CB 1.220 30.750 29.460 0.117 0.000 1.477 182 W HN 0.645 nan 8.180 nan 0.000 0.582 183 R N 1.164 121.857 120.500 0.320 0.000 2.637 183 R HA 0.377 4.733 4.340 0.026 0.000 0.291 183 R C -1.701 174.807 176.300 0.346 0.000 0.963 183 R CA -0.884 55.331 56.100 0.193 0.000 0.901 183 R CB 1.898 32.282 30.300 0.140 0.000 1.160 183 R HN 0.521 nan 8.270 nan 0.000 0.457 184 D N 1.664 122.256 120.400 0.320 0.000 2.446 184 D HA 0.049 4.705 4.640 0.026 0.000 0.251 184 D C -1.023 175.412 176.300 0.225 0.000 1.137 184 D CA -0.337 53.905 54.000 0.404 0.000 0.890 184 D CB 1.017 42.262 40.800 0.741 0.000 1.071 184 D HN 0.266 nan 8.370 nan 0.000 0.528 185 Q N 3.008 122.821 119.800 0.021 0.000 2.235 185 Q HA 0.334 4.689 4.340 0.026 0.000 0.250 185 Q C -0.943 174.855 176.000 -0.337 0.000 0.909 185 Q CA -0.560 55.182 55.803 -0.102 0.000 0.910 185 Q CB 0.903 29.567 28.738 -0.124 0.000 1.223 185 Q HN 0.584 nan 8.270 nan 0.000 0.432 186 H N 2.648 121.631 119.070 -0.144 0.000 2.930 186 H HA 0.319 4.891 4.556 0.026 0.000 0.371 186 H C -1.412 173.729 175.328 -0.312 0.000 1.169 186 H CA -0.473 55.513 56.048 -0.103 0.000 1.157 186 H CB 1.150 30.938 29.762 0.044 0.000 1.789 186 H HN 0.567 nan 8.280 nan 0.000 0.547 187 F N 1.993 122.057 119.950 0.190 0.000 2.411 187 F HA 0.390 4.933 4.527 0.026 0.000 0.352 187 F C 0.378 176.241 175.800 0.105 0.000 1.123 187 F CA -0.768 57.303 58.000 0.118 0.000 1.044 187 F CB 1.541 40.589 39.000 0.079 0.000 1.135 187 F HN 0.191 nan 8.300 nan 0.000 0.461 188 V N 0.049 120.099 119.914 0.226 0.000 3.007 188 V HA 0.574 4.710 4.120 0.026 0.000 0.311 188 V C -0.962 175.196 176.094 0.105 0.000 1.120 188 V CA -1.422 60.961 62.300 0.138 0.000 0.980 188 V CB 2.069 33.935 31.823 0.072 0.000 1.033 188 V HN 0.608 nan 8.190 nan 0.000 0.429 189 K N 3.535 124.008 120.400 0.123 0.000 2.267 189 K HA 0.633 4.968 4.320 0.026 0.000 0.282 189 K C -0.298 176.399 176.600 0.163 0.000 1.078 189 K CA -0.299 56.053 56.287 0.109 0.000 0.903 189 K CB 1.311 33.853 32.500 0.069 0.000 1.111 189 K HN 0.827 nan 8.250 nan 0.000 0.475 190 I N -1.169 119.390 120.570 -0.018 0.000 3.205 190 I HA 0.413 4.599 4.170 0.026 0.000 0.310 190 I C -0.600 175.506 176.117 -0.018 0.000 1.089 190 I CA -1.067 60.127 61.300 -0.178 0.000 1.023 190 I CB 1.534 39.068 38.000 -0.777 0.000 1.269 190 I HN 0.450 nan 8.210 nan 0.000 0.512 191 Q N 1.762 121.578 119.800 0.027 0.000 2.333 191 Q HA 0.663 5.018 4.340 0.026 0.000 0.267 191 Q C -1.679 174.500 176.000 0.298 0.000 1.012 191 Q CA -0.724 55.171 55.803 0.153 0.000 0.824 191 Q CB 2.466 31.319 28.738 0.191 0.000 1.290 191 Q HN 0.676 nan 8.270 nan 0.000 0.449 192 V N 2.444 122.414 119.914 0.093 0.000 3.126 192 V HA 0.468 4.604 4.120 0.026 0.000 0.314 192 V C -0.644 175.226 176.094 -0.373 0.000 1.138 192 V CA -1.049 61.198 62.300 -0.088 0.000 1.034 192 V CB 2.013 33.843 31.823 0.012 0.000 1.075 192 V HN 0.815 nan 8.190 nan 0.000 0.442 193 K N 0.439 120.444 120.400 -0.658 0.000 2.185 193 K HA 0.457 4.792 4.320 0.026 0.000 0.271 193 K C -0.719 175.775 176.600 -0.177 0.000 1.013 193 K CA -0.548 55.484 56.287 -0.425 0.000 0.943 193 K CB 1.099 33.346 32.500 -0.421 0.000 0.998 193 K HN 0.566 nan 8.250 nan 0.000 0.468 194 D N 0.607 120.942 120.400 -0.108 0.000 2.354 194 D HA 0.000 4.656 4.640 0.026 0.000 0.247 194 D C 0.941 177.219 176.300 -0.037 0.000 1.138 194 D CA -0.360 53.606 54.000 -0.057 0.000 0.958 194 D CB 1.350 42.127 40.800 -0.038 0.000 1.144 194 D HN 0.618 nan 8.370 nan 0.000 0.458 195 S N 0.656 116.342 115.700 -0.023 0.000 2.400 195 S HA -0.064 4.421 4.470 0.026 0.000 0.232 195 S C 1.058 175.654 174.600 -0.007 0.000 1.025 195 S CA 0.534 58.727 58.200 -0.012 0.000 0.993 195 S CB -0.421 62.774 63.200 -0.008 0.000 0.808 195 S HN 0.589 nan 8.310 nan 0.000 0.478 196 A N 2.660 125.475 122.820 -0.009 0.000 2.450 196 A HA 0.382 4.717 4.320 0.026 0.000 0.255 196 A C 0.405 177.987 177.584 -0.004 0.000 1.096 196 A CA -0.493 51.541 52.037 -0.005 0.000 0.778 196 A CB 0.191 19.188 19.000 -0.005 0.000 1.031 196 A HN 0.351 nan 8.150 nan 0.000 0.494 197 Q N 1.834 121.636 119.800 0.003 0.000 2.327 197 Q HA 0.127 4.482 4.340 0.026 0.000 0.254 197 Q C -0.385 175.621 176.000 0.010 0.000 0.952 197 Q CA -0.290 55.519 55.803 0.010 0.000 0.884 197 Q CB 0.570 29.318 28.738 0.017 0.000 1.224 197 Q HN 0.724 nan 8.270 nan 0.000 0.422 198 N N 0.862 119.572 118.700 0.016 0.000 2.508 198 N HA 0.159 4.914 4.740 0.026 0.000 0.264 198 N C -0.433 175.087 175.510 0.016 0.000 1.216 198 N CA 0.058 53.119 53.050 0.018 0.000 0.943 198 N CB 0.759 39.264 38.487 0.029 0.000 1.113 198 N HN 0.545 nan 8.380 nan 0.000 0.447 199 S N -1.081 114.625 115.700 0.010 0.000 2.546 199 S HA 0.639 5.125 4.470 0.026 0.000 0.274 199 S C -0.952 173.649 174.600 0.001 0.000 1.121 199 S CA -0.887 57.317 58.200 0.007 0.000 0.887 199 S CB 1.281 64.485 63.200 0.007 0.000 1.094 199 S HN 0.140 nan 8.310 nan 0.000 0.474 200 V N 2.855 122.768 119.914 -0.002 0.000 2.409 200 V HA 0.588 4.723 4.120 0.026 0.000 0.291 200 V C -0.605 175.489 176.094 0.000 0.000 1.020 200 V CA -0.476 61.817 62.300 -0.010 0.000 0.848 200 V CB 0.997 32.803 31.823 -0.028 0.000 0.990 200 V HN 0.913 nan 8.190 nan 0.000 0.430 201 I N 5.206 125.780 120.570 0.007 0.000 2.647 201 I HA 0.528 4.714 4.170 0.026 0.000 0.295 201 I C -0.792 175.349 176.117 0.041 0.000 1.078 201 I CA -0.633 60.685 61.300 0.029 0.000 1.048 201 I CB 2.618 40.632 38.000 0.022 0.000 1.239 201 I HN 0.428 nan 8.210 nan 0.000 0.421 202 I N 5.521 126.139 120.570 0.081 0.000 2.359 202 I HA 0.410 4.596 4.170 0.026 0.000 0.294 202 I C -0.541 175.665 176.117 0.149 0.000 0.987 202 I CA -0.845 60.506 61.300 0.085 0.000 1.225 202 I CB 1.824 39.856 38.000 0.053 0.000 1.366 202 I HN 0.135 nan 8.210 nan 0.000 0.466 203 V N 4.247 124.223 119.914 0.102 0.000 2.513 203 V HA 0.260 4.395 4.120 0.026 0.000 0.299 203 V C -0.416 175.740 176.094 0.103 0.000 1.035 203 V CA -0.642 61.724 62.300 0.109 0.000 0.889 203 V CB 1.960 33.818 31.823 0.059 0.000 0.988 203 V HN 0.594 nan 8.190 nan 0.000 0.440 204 D N 3.028 123.508 120.400 0.133 0.000 2.380 204 D HA 0.254 4.910 4.640 0.026 0.000 0.230 204 D C 1.095 177.432 176.300 0.062 0.000 1.154 204 D CA -0.218 53.837 54.000 0.093 0.000 0.859 204 D CB 1.244 42.120 40.800 0.128 0.000 1.045 204 D HN 0.460 nan 8.370 nan 0.000 0.495 205 K N 1.803 122.228 120.400 0.041 0.000 2.362 205 K HA -0.111 4.224 4.320 0.026 0.000 0.202 205 K C 0.149 176.766 176.600 0.029 0.000 1.045 205 K CA 0.636 56.942 56.287 0.030 0.000 0.936 205 K CB 0.026 32.539 32.500 0.022 0.000 0.747 205 K HN 0.305 nan 8.250 nan 0.000 0.467 206 N N 0.581 119.300 118.700 0.033 0.000 2.439 206 N HA 0.083 4.839 4.740 0.026 0.000 0.243 206 N C 0.688 176.221 175.510 0.038 0.000 1.088 206 N CA 0.666 53.734 53.050 0.030 0.000 0.940 206 N CB 1.155 39.659 38.487 0.027 0.000 1.180 206 N HN 0.337 nan 8.380 nan 0.000 0.505 207 G N 2.219 111.037 108.800 0.030 0.000 2.253 207 G HA2 -0.377 3.599 3.960 0.026 0.000 0.251 207 G HA3 -0.377 3.599 3.960 0.026 0.000 0.251 207 G C 0.366 175.281 174.900 0.026 0.000 0.998 207 G CA 0.095 45.211 45.100 0.027 0.000 0.621 207 G HN 0.635 nan 8.290 nan 0.000 0.524 208 R N -1.769 118.751 120.500 0.034 0.000 3.423 208 R HA -0.153 4.203 4.340 0.026 0.000 0.271 208 R C -0.246 176.065 176.300 0.018 0.000 1.093 208 R CA 0.978 57.095 56.100 0.029 0.000 0.730 208 R CB -1.884 28.425 30.300 0.015 0.000 1.190 208 R HN 0.456 nan 8.270 nan 0.000 0.437 209 L N 0.325 121.569 121.223 0.035 0.000 2.334 209 L HA 0.442 4.798 4.340 0.026 0.000 0.277 209 L C 0.721 177.570 176.870 -0.035 0.000 1.075 209 L CA -0.394 54.429 54.840 -0.029 0.000 0.804 209 L CB 1.561 43.602 42.059 -0.030 0.000 1.174 209 L HN 0.054 nan 8.230 nan 0.000 0.438 210 V N -0.251 119.544 119.914 -0.199 0.000 2.732 210 V HA 0.616 4.752 4.120 0.026 0.000 0.310 210 V C -1.219 174.607 176.094 -0.448 0.000 1.053 210 V CA -0.809 61.406 62.300 -0.141 0.000 0.957 210 V CB 1.545 33.322 31.823 -0.077 0.000 1.018 210 V HN 0.510 nan 8.190 nan 0.000 0.452 211 Y N 2.882 123.179 120.300 -0.005 0.000 2.346 211 Y HA 0.623 5.189 4.550 0.026 0.000 0.332 211 Y C -0.322 175.573 175.900 -0.009 0.000 0.985 211 Y CA -0.877 57.220 58.100 -0.006 0.000 1.112 211 Y CB 1.912 40.368 38.460 -0.006 0.000 1.170 211 Y HN 0.753 nan 8.280 nan 0.000 0.447 212 L N 3.975 125.249 121.223 0.084 0.000 2.410 212 L HA 0.284 4.639 4.340 0.026 0.000 0.273 212 L C -0.012 176.893 176.870 0.058 0.000 1.144 212 L CA 0.529 55.399 54.840 0.050 0.000 0.863 212 L CB 0.802 42.873 42.059 0.021 0.000 1.140 212 L HN 0.703 nan 8.230 nan 0.000 0.463 213 V N 3.659 123.595 119.914 0.036 0.000 2.788 213 V HA 0.264 4.399 4.120 0.026 0.000 0.241 213 V C 0.517 176.616 176.094 0.008 0.000 1.083 213 V CA 0.639 62.949 62.300 0.017 0.000 1.103 213 V CB -0.027 31.790 31.823 -0.009 0.000 0.800 213 V HN 0.896 nan 8.190 nan 0.000 0.476 214 E N -0.378 119.827 120.200 0.008 0.000 2.380 214 E HA 0.298 4.663 4.350 0.026 0.000 0.281 214 E C -1.465 175.146 176.600 0.019 0.000 0.999 214 E CA -0.539 55.869 56.400 0.014 0.000 0.800 214 E CB 1.562 31.267 29.700 0.007 0.000 1.228 214 E HN 0.367 nan 8.360 nan 0.000 0.436 215 N N 4.359 123.076 118.700 0.029 0.000 2.699 215 N HA 0.309 5.064 4.740 0.026 0.000 0.232 215 N C -2.615 172.926 175.510 0.052 0.000 1.027 215 N CA -1.509 51.562 53.050 0.034 0.000 0.920 215 N CB 1.184 39.691 38.487 0.034 0.000 1.148 215 N HN 0.175 nan 8.380 nan 0.000 0.509 216 P HA -0.015 nan 4.420 nan 0.000 0.264 216 P C 1.077 178.448 177.300 0.120 0.000 1.183 216 P CA 0.096 63.239 63.100 0.072 0.000 0.763 216 P CB 0.780 32.503 31.700 0.038 0.000 0.807 217 G N 2.564 111.462 108.800 0.164 0.000 2.443 217 G HA2 0.033 4.009 3.960 0.026 0.000 0.219 217 G HA3 0.033 4.009 3.960 0.026 0.000 0.219 217 G C 0.776 175.899 174.900 0.372 0.000 1.131 217 G CA 0.642 45.892 45.100 0.249 0.000 0.775 217 G HN 0.679 nan 8.290 nan 0.000 0.547 218 G N -1.351 107.596 108.800 0.245 0.000 2.705 218 G HA2 0.632 4.608 3.960 0.026 0.000 0.299 218 G HA3 0.632 4.608 3.960 0.026 0.000 0.299 218 G C -0.917 174.064 174.900 0.136 0.000 1.315 218 G CA -0.596 44.566 45.100 0.104 0.000 1.045 218 G HN 0.564 nan 8.290 nan 0.000 0.517 219 Y N -3.642 116.543 120.300 -0.191 0.000 2.764 219 Y HA 0.663 5.228 4.550 0.026 0.000 0.331 219 Y C -1.479 174.269 175.900 -0.255 0.000 1.280 219 Y CA -1.471 56.544 58.100 -0.142 0.000 1.065 219 Y CB 1.374 39.837 38.460 0.004 0.000 1.319 219 Y HN 0.445 nan 8.280 nan 0.000 0.453 220 V N 2.492 122.225 119.914 -0.300 0.000 2.349 220 V HA 0.695 4.831 4.120 0.026 0.000 0.284 220 V C 0.204 176.177 176.094 -0.201 0.000 1.014 220 V CA -0.562 61.476 62.300 -0.437 0.000 0.826 220 V CB 0.625 32.308 31.823 -0.234 0.000 1.009 220 V HN 1.032 nan 8.190 nan 0.000 0.431 221 A N 4.243 126.823 122.820 -0.400 0.000 2.567 221 A HA 0.431 4.767 4.320 0.026 0.000 0.240 221 A C 0.374 177.950 177.584 -0.014 0.000 1.053 221 A CA 0.715 52.697 52.037 -0.092 0.000 0.755 221 A CB -0.708 18.191 19.000 -0.168 0.000 0.978 221 A HN 1.238 nan 8.150 nan 0.000 0.507 222 Y N -0.011 120.468 120.300 0.298 0.000 4.937 222 Y HA -0.228 4.337 4.550 0.026 0.000 0.256 222 Y C 1.081 177.083 175.900 0.170 0.000 0.944 222 Y CA 0.555 58.792 58.100 0.230 0.000 1.947 222 Y CB -1.828 36.751 38.460 0.198 0.000 1.429 222 Y HN 0.898 nan 8.280 nan 0.000 0.597 223 S N 1.608 117.460 115.700 0.252 0.000 2.572 223 S HA 0.225 4.710 4.470 0.026 0.000 0.279 223 S C 0.209 174.905 174.600 0.161 0.000 1.341 223 S CA -0.490 57.810 58.200 0.167 0.000 1.043 223 S CB 0.994 64.262 63.200 0.113 0.000 0.887 223 S HN 0.286 nan 8.310 nan 0.000 0.516 224 K N 2.927 123.399 120.400 0.120 0.000 2.412 224 K HA 0.346 4.681 4.320 0.026 0.000 0.281 224 K C -0.120 176.526 176.600 0.077 0.000 1.027 224 K CA -0.091 56.255 56.287 0.099 0.000 0.989 224 K CB 0.207 32.751 32.500 0.073 0.000 0.935 224 K HN 0.680 nan 8.250 nan 0.000 0.475 225 A N 3.459 126.319 122.820 0.067 0.000 2.395 225 A HA 0.525 4.861 4.320 0.026 0.000 0.286 225 A C -0.427 177.177 177.584 0.032 0.000 1.193 225 A CA 0.267 52.331 52.037 0.044 0.000 0.852 225 A CB -0.297 18.720 19.000 0.029 0.000 1.118 225 A HN 0.887 nan 8.150 nan 0.000 0.524 226 A N 2.268 125.104 122.820 0.028 0.000 2.566 226 A HA 0.796 5.131 4.320 0.026 0.000 0.290 226 A C -0.448 177.147 177.584 0.017 0.000 1.071 226 A CA -0.496 51.554 52.037 0.022 0.000 0.658 226 A CB 0.720 19.735 19.000 0.025 0.000 1.285 226 A HN 0.772 nan 8.150 nan 0.000 0.427 227 T N 1.156 115.718 114.554 0.014 0.000 2.812 227 T HA 0.636 5.001 4.350 0.026 0.000 0.282 227 T C -0.629 174.078 174.700 0.011 0.000 0.990 227 T CA -0.131 61.976 62.100 0.011 0.000 0.960 227 T CB 0.968 69.841 68.868 0.009 0.000 0.948 227 T HN 1.807 nan 8.240 nan 0.000 0.438 228 V N 0.910 120.830 119.914 0.010 0.000 2.789 228 V HA 0.904 5.040 4.120 0.026 0.000 0.311 228 V C -0.579 175.521 176.094 0.010 0.000 1.073 228 V CA -0.719 61.588 62.300 0.011 0.000 0.921 228 V CB 2.101 33.931 31.823 0.012 0.000 1.009 228 V HN 0.769 nan 8.190 nan 0.000 0.426 229 T N 3.284 117.845 114.554 0.012 0.000 2.809 229 T HA 0.914 5.279 4.350 0.026 0.000 0.284 229 T C 0.217 174.926 174.700 0.014 0.000 0.992 229 T CA 0.123 62.231 62.100 0.013 0.000 0.957 229 T CB 1.248 70.124 68.868 0.013 0.000 0.942 229 T HN 1.555 nan 8.240 nan 0.000 0.439 230 G N 1.577 110.386 108.800 0.016 0.000 2.554 230 G HA2 0.549 4.525 3.960 0.026 0.000 0.306 230 G HA3 0.549 4.525 3.960 0.026 0.000 0.306 230 G C -1.369 173.543 174.900 0.020 0.000 1.320 230 G CA -0.908 44.203 45.100 0.018 0.000 0.800 230 G HN 0.702 nan 8.290 nan 0.000 0.481 231 K N -0.681 119.733 120.400 0.023 0.000 2.276 231 K HA 0.444 4.779 4.320 0.026 0.000 0.259 231 K C -0.924 175.697 176.600 0.034 0.000 1.001 231 K CA -0.408 55.895 56.287 0.027 0.000 0.927 231 K CB 0.786 33.301 32.500 0.026 0.000 0.969 231 K HN 0.327 nan 8.250 nan 0.000 0.490 232 L N 4.148 125.395 121.223 0.040 0.000 2.322 232 L HA 0.409 4.765 4.340 0.026 0.000 0.281 232 L C -1.532 175.386 176.870 0.080 0.000 1.014 232 L CA -0.473 54.397 54.840 0.049 0.000 0.815 232 L CB 1.825 43.904 42.059 0.034 0.000 1.247 232 L HN 0.368 nan 8.230 nan 0.000 0.421 233 V N 4.306 124.279 119.914 0.098 0.000 2.638 233 V HA 0.379 4.514 4.120 0.026 0.000 0.306 233 V C -0.573 175.631 176.094 0.185 0.000 1.052 233 V CA -0.781 61.605 62.300 0.144 0.000 0.885 233 V CB 1.401 33.308 31.823 0.140 0.000 0.999 233 V HN 0.696 nan 8.190 nan 0.000 0.424 234 H N 3.335 122.503 119.070 0.163 0.000 2.582 234 H HA 0.656 5.227 4.556 0.026 0.000 0.345 234 H C 0.151 175.572 175.328 0.154 0.000 1.104 234 H CA 0.178 56.343 56.048 0.196 0.000 1.390 234 H CB 1.988 31.920 29.762 0.284 0.000 1.461 234 H HN 0.768 nan 8.280 nan 0.000 0.551 235 A N 4.638 127.649 122.820 0.318 0.000 2.585 235 A HA 0.133 4.469 4.320 0.026 0.000 0.281 235 A C 0.991 178.304 177.584 -0.452 0.000 0.945 235 A CA 0.219 52.172 52.037 -0.140 0.000 1.031 235 A CB -0.297 18.427 19.000 -0.460 0.000 1.221 235 A HN 0.890 nan 8.150 nan 0.000 0.496 236 N N -0.515 117.881 118.700 -0.505 0.000 1.347 236 N HA -0.327 4.429 4.740 0.026 0.000 0.141 236 N C 0.319 175.442 175.510 -0.644 0.000 0.677 236 N CA 2.879 55.298 53.050 -1.052 0.000 1.016 236 N CB -1.343 36.002 38.487 -1.903 0.000 1.268 236 N HN 0.348 nan 8.380 nan 0.000 0.487 237 F N 0.803 120.505 119.950 -0.414 0.000 2.765 237 F HA 0.307 4.850 4.527 0.027 0.000 0.302 237 F C 1.888 177.564 175.800 -0.207 0.000 1.111 237 F CA 0.454 58.313 58.000 -0.236 0.000 1.359 237 F CB -0.007 38.879 39.000 -0.190 0.000 1.097 237 F HN 0.658 nan 8.300 nan 0.000 0.577 238 G N 1.528 110.192 108.800 -0.226 0.000 2.203 238 G HA2 -0.331 3.644 3.960 0.026 0.000 0.263 238 G HA3 -0.331 3.644 3.960 0.026 0.000 0.263 238 G C 0.411 175.307 174.900 -0.006 0.000 1.012 238 G CA 0.452 45.383 45.100 -0.282 0.000 0.749 238 G HN 0.459 nan 8.290 nan 0.000 0.512 239 T N -2.893 111.644 114.554 -0.029 0.000 2.860 239 T HA 0.443 4.808 4.350 0.026 0.000 0.299 239 T C 1.420 176.218 174.700 0.164 0.000 1.045 239 T CA 0.572 62.714 62.100 0.070 0.000 1.071 239 T CB 1.535 70.419 68.868 0.028 0.000 0.985 239 T HN 0.252 nan 8.240 nan 0.000 0.537 240 K N 0.526 121.039 120.400 0.188 0.000 2.074 240 K HA -0.180 4.156 4.320 0.026 0.000 0.209 240 K C 2.359 179.077 176.600 0.197 0.000 1.048 240 K CA 1.669 58.090 56.287 0.223 0.000 0.926 240 K CB -0.155 32.424 32.500 0.131 0.000 0.713 240 K HN 0.712 nan 8.250 nan 0.000 0.444 241 K N 0.607 121.077 120.400 0.117 0.000 2.057 241 K HA -0.180 4.156 4.320 0.026 0.000 0.206 241 K C 1.364 178.013 176.600 0.083 0.000 1.050 241 K CA 1.907 58.251 56.287 0.095 0.000 0.935 241 K CB -0.047 32.492 32.500 0.065 0.000 0.715 241 K HN 0.102 nan 8.250 nan 0.000 0.439 242 D N 0.287 120.689 120.400 0.003 0.000 2.158 242 D HA -0.186 4.469 4.640 0.026 0.000 0.197 242 D C 1.764 178.011 176.300 -0.088 0.000 0.995 242 D CA 1.249 55.179 54.000 -0.116 0.000 0.846 242 D CB -0.357 40.239 40.800 -0.339 0.000 0.941 242 D HN 0.244 nan 8.370 nan 0.000 0.456 243 F N 1.144 121.131 119.950 0.062 0.000 2.113 243 F HA -0.071 4.471 4.527 0.026 0.000 0.297 243 F C 2.539 178.392 175.800 0.090 0.000 1.103 243 F CA 0.889 58.934 58.000 0.075 0.000 1.248 243 F CB -0.110 38.924 39.000 0.057 0.000 0.999 243 F HN -0.084 nan 8.300 nan 0.000 0.475 244 E N 0.005 120.361 120.200 0.261 0.000 2.153 244 E HA -0.201 4.165 4.350 0.026 0.000 0.194 244 E C 1.159 177.857 176.600 0.163 0.000 0.988 244 E CA 1.295 57.805 56.400 0.183 0.000 0.811 244 E CB -0.165 29.618 29.700 0.140 0.000 0.746 244 E HN 0.342 nan 8.360 nan 0.000 0.466 245 D N 0.161 120.656 120.400 0.159 0.000 2.363 245 D HA 0.010 4.666 4.640 0.026 0.000 0.226 245 D C 0.105 176.521 176.300 0.194 0.000 1.020 245 D CA 0.392 54.487 54.000 0.159 0.000 0.892 245 D CB 0.036 40.935 40.800 0.165 0.000 0.900 245 D HN 0.109 nan 8.370 nan 0.000 0.531 246 L N 0.818 122.168 121.223 0.212 0.000 2.367 246 L HA 0.017 4.373 4.340 0.026 0.000 0.275 246 L C 0.754 177.776 176.870 0.254 0.000 1.129 246 L CA -0.273 54.708 54.840 0.234 0.000 0.839 246 L CB 0.750 42.949 42.059 0.233 0.000 1.133 246 L HN 0.034 nan 8.230 nan 0.000 0.453 247 Y N 2.110 122.461 120.300 0.086 0.000 2.457 247 Y HA 0.168 4.733 4.550 0.026 0.000 0.263 247 Y C 0.349 176.285 175.900 0.060 0.000 1.164 247 Y CA -0.445 57.690 58.100 0.058 0.000 1.274 247 Y CB 0.371 38.848 38.460 0.028 0.000 1.097 247 Y HN 0.400 nan 8.280 nan 0.000 0.523 248 T N 4.087 118.654 114.554 0.022 0.000 2.786 248 T HA 0.362 4.727 4.350 0.026 0.000 0.283 248 T C -2.783 171.942 174.700 0.043 0.000 0.992 248 T CA -1.455 60.614 62.100 -0.051 0.000 0.954 248 T CB 1.576 70.438 68.868 -0.011 0.000 0.934 248 T HN -0.048 nan 8.240 nan 0.000 0.440 249 P HA 0.199 nan 4.420 nan 0.000 0.271 249 P C 0.740 178.082 177.300 0.069 0.000 1.226 249 P CA -0.294 62.837 63.100 0.053 0.000 0.765 249 P CB 0.751 32.464 31.700 0.022 0.000 0.835 250 V N 1.892 121.869 119.914 0.105 0.000 3.041 250 V HA -0.108 4.028 4.120 0.026 0.000 0.260 250 V C 1.163 177.290 176.094 0.055 0.000 1.105 250 V CA 0.801 63.169 62.300 0.113 0.000 1.125 250 V CB -1.244 30.686 31.823 0.180 0.000 0.730 250 V HN 0.736 nan 8.190 nan 0.000 0.479 251 N N 1.695 120.414 118.700 0.032 0.000 2.356 251 N HA 0.077 4.832 4.740 0.026 0.000 0.252 251 N C 1.087 176.607 175.510 0.017 0.000 1.241 251 N CA 1.195 54.253 53.050 0.013 0.000 0.861 251 N CB 0.432 38.924 38.487 0.008 0.000 1.075 251 N HN 0.362 nan 8.380 nan 0.000 0.461 252 G N 1.021 109.828 108.800 0.012 0.000 2.186 252 G HA2 -0.266 3.710 3.960 0.026 0.000 0.266 252 G HA3 -0.266 3.710 3.960 0.026 0.000 0.266 252 G C -0.320 174.592 174.900 0.020 0.000 0.982 252 G CA 0.827 45.935 45.100 0.014 0.000 0.670 252 G HN 0.867 nan 8.290 nan 0.000 0.533 253 S N -0.512 115.205 115.700 0.029 0.000 2.621 253 S HA 0.733 5.218 4.470 0.026 0.000 0.302 253 S C 0.440 175.065 174.600 0.041 0.000 1.093 253 S CA -0.757 57.465 58.200 0.037 0.000 1.017 253 S CB 1.819 65.049 63.200 0.050 0.000 1.077 253 S HN 0.353 nan 8.310 nan 0.000 0.517 254 I N 1.838 122.430 120.570 0.037 0.000 2.575 254 I HA 0.271 4.456 4.170 0.026 0.000 0.285 254 I C -0.565 175.584 176.117 0.053 0.000 1.085 254 I CA -0.398 60.923 61.300 0.034 0.000 1.403 254 I CB 0.777 38.788 38.000 0.017 0.000 1.409 254 I HN 0.192 nan 8.210 nan 0.000 0.557 255 V N 7.047 126.997 119.914 0.059 0.000 2.628 255 V HA 0.458 4.594 4.120 0.026 0.000 0.306 255 V C -0.200 175.906 176.094 0.019 0.000 1.045 255 V CA -0.688 61.663 62.300 0.084 0.000 0.905 255 V CB 2.255 34.184 31.823 0.177 0.000 0.997 255 V HN 0.510 nan 8.190 nan 0.000 0.436 256 I N 5.246 125.801 120.570 -0.025 0.000 2.433 256 I HA 0.754 4.940 4.170 0.026 0.000 0.292 256 I C -0.875 175.114 176.117 -0.213 0.000 1.001 256 I CA -0.591 60.643 61.300 -0.110 0.000 1.119 256 I CB 1.685 39.592 38.000 -0.155 0.000 1.289 256 I HN 0.578 nan 8.210 nan 0.000 0.438 257 V N 4.295 124.140 119.914 -0.115 0.000 2.962 257 V HA 0.630 4.766 4.120 0.026 0.000 0.313 257 V C -0.445 175.587 176.094 -0.103 0.000 1.099 257 V CA -1.067 61.155 62.300 -0.130 0.000 0.971 257 V CB 1.774 33.530 31.823 -0.112 0.000 1.028 257 V HN 0.720 nan 8.190 nan 0.000 0.430 258 R N 1.972 122.326 120.500 -0.242 0.000 2.594 258 R HA 0.661 5.017 4.340 0.026 0.000 0.272 258 R C 0.453 176.696 176.300 -0.095 0.000 1.074 258 R CA 0.197 56.021 56.100 -0.460 0.000 1.105 258 R CB 1.018 30.955 30.300 -0.604 0.000 1.008 258 R HN 1.101 nan 8.270 nan 0.000 0.472 259 A N 1.396 124.195 122.820 -0.036 0.000 2.406 259 A HA 0.517 4.853 4.320 0.026 0.000 0.243 259 A C 0.728 178.608 177.584 0.494 0.000 1.082 259 A CA 0.720 52.899 52.037 0.236 0.000 0.786 259 A CB 0.071 19.141 19.000 0.116 0.000 1.029 259 A HN 0.915 nan 8.150 nan 0.000 0.495 260 G N -0.092 108.953 108.800 0.408 0.000 2.479 260 G HA2 0.287 4.262 3.960 0.026 0.000 0.686 260 G HA3 0.287 4.262 3.960 0.026 0.000 0.686 260 G C 0.234 175.089 174.900 -0.075 0.000 1.295 260 G CA 0.134 45.355 45.100 0.202 0.000 0.922 260 G HN 1.394 nan 8.290 nan 0.000 0.582 261 K N -2.386 117.834 120.400 -0.300 0.000 8.623 261 K HA -0.302 4.033 4.320 0.026 0.000 0.494 261 K C 1.262 177.764 176.600 -0.163 0.000 0.366 261 K CA 2.674 58.741 56.287 -0.366 0.000 1.954 261 K CB -1.901 30.198 32.500 -0.668 0.000 0.699 261 K HN 1.947 nan 8.250 nan 0.000 0.968 262 I N -1.245 119.284 120.570 -0.069 0.000 3.074 262 I HA 0.457 4.643 4.170 0.026 0.000 0.310 262 I C 0.491 176.623 176.117 0.025 0.000 1.153 262 I CA -0.626 60.656 61.300 -0.029 0.000 0.993 262 I CB 2.173 40.170 38.000 -0.006 0.000 1.237 262 I HN 0.237 nan 8.210 nan 0.000 0.443 263 T N -0.668 113.871 114.554 -0.024 0.000 2.856 263 T HA 0.258 4.623 4.350 0.026 0.000 0.306 263 T C 0.871 175.649 174.700 0.132 0.000 1.062 263 T CA -0.015 62.057 62.100 -0.047 0.000 1.083 263 T CB 0.444 69.216 68.868 -0.160 0.000 0.984 263 T HN 0.562 nan 8.240 nan 0.000 0.542 264 F N 0.840 120.695 119.950 -0.158 0.000 2.095 264 F HA -0.103 4.440 4.527 0.026 0.000 0.298 264 F C 3.076 178.812 175.800 -0.107 0.000 1.104 264 F CA 0.639 58.556 58.000 -0.139 0.000 1.232 264 F CB -0.743 38.122 39.000 -0.225 0.000 0.987 264 F HN 0.753 nan 8.300 nan 0.000 0.475 265 A N 0.390 123.241 122.820 0.053 0.000 1.948 265 A HA -0.264 4.072 4.320 0.026 0.000 0.220 265 A C 1.911 179.513 177.584 0.031 0.000 1.177 265 A CA 2.171 54.223 52.037 0.025 0.000 0.636 265 A CB -0.790 18.189 19.000 -0.034 0.000 0.815 265 A HN 0.453 nan 8.150 nan 0.000 0.449 266 E N -0.301 119.914 120.200 0.024 0.000 2.046 266 E HA -0.145 4.221 4.350 0.026 0.000 0.190 266 E C 2.082 178.732 176.600 0.082 0.000 0.982 266 E CA 1.304 57.726 56.400 0.037 0.000 0.800 266 E CB -0.134 29.577 29.700 0.019 0.000 0.756 266 E HN 0.616 nan 8.360 nan 0.000 0.449 267 K N 0.521 120.984 120.400 0.106 0.000 2.020 267 K HA -0.178 4.158 4.320 0.026 0.000 0.212 267 K C 2.211 178.890 176.600 0.131 0.000 1.050 267 K CA 1.585 57.958 56.287 0.144 0.000 0.929 267 K CB -0.367 32.190 32.500 0.095 0.000 0.714 267 K HN -0.016 nan 8.250 nan 0.000 0.443 268 V N 1.528 121.486 119.914 0.074 0.000 2.287 268 V HA -0.306 3.829 4.120 0.026 0.000 0.248 268 V C 2.445 178.557 176.094 0.029 0.000 1.053 268 V CA 2.128 64.458 62.300 0.049 0.000 1.027 268 V CB -0.878 30.973 31.823 0.045 0.000 0.646 268 V HN 0.422 nan 8.190 nan 0.000 0.447 269 A N 0.618 123.457 122.820 0.031 0.000 1.865 269 A HA -0.266 4.070 4.320 0.026 0.000 0.217 269 A C 2.067 179.633 177.584 -0.030 0.000 1.191 269 A CA 2.236 54.278 52.037 0.008 0.000 0.623 269 A CB -0.821 18.190 19.000 0.018 0.000 0.826 269 A HN 0.605 nan 8.150 nan 0.000 0.444 270 N N 0.588 119.287 118.700 -0.003 0.000 2.061 270 N HA -0.163 4.593 4.740 0.026 0.000 0.193 270 N C 1.854 177.106 175.510 -0.431 0.000 1.030 270 N CA 1.844 54.845 53.050 -0.083 0.000 0.856 270 N CB -0.720 37.870 38.487 0.172 0.000 1.023 270 N HN 0.505 nan 8.380 nan 0.000 0.424 271 A N 0.887 123.506 122.820 -0.334 0.000 1.873 271 A HA -0.143 4.193 4.320 0.026 0.000 0.215 271 A C 2.178 179.604 177.584 -0.264 0.000 1.186 271 A CA 1.571 53.341 52.037 -0.446 0.000 0.616 271 A CB -0.644 18.363 19.000 0.012 0.000 0.823 271 A HN 0.396 nan 8.150 nan 0.000 0.442 272 E N -0.373 119.749 120.200 -0.131 0.000 2.153 272 E HA -0.161 4.205 4.350 0.026 0.000 0.194 272 E C 2.089 178.629 176.600 -0.100 0.000 0.988 272 E CA 1.094 57.447 56.400 -0.079 0.000 0.811 272 E CB -0.131 29.549 29.700 -0.032 0.000 0.746 272 E HN 0.566 nan 8.360 nan 0.000 0.466 273 S N -0.354 115.266 115.700 -0.133 0.000 2.442 273 S HA -0.064 4.422 4.470 0.026 0.000 0.236 273 S C 1.486 176.002 174.600 -0.139 0.000 1.007 273 S CA 0.694 58.824 58.200 -0.118 0.000 0.965 273 S CB -0.011 63.120 63.200 -0.114 0.000 0.773 273 S HN 0.309 nan 8.310 nan 0.000 0.504 274 L N 0.975 122.067 121.223 -0.218 0.000 2.769 274 L HA 0.338 4.693 4.340 0.026 0.000 0.240 274 L C 0.164 176.969 176.870 -0.109 0.000 1.163 274 L CA -0.137 54.594 54.840 -0.182 0.000 0.962 274 L CB -0.157 41.723 42.059 -0.297 0.000 1.258 274 L HN 0.206 nan 8.230 nan 0.000 0.513 275 N N -0.151 118.495 118.700 -0.090 0.000 2.818 275 N HA -0.144 4.612 4.740 0.026 0.000 0.250 275 N C 0.349 175.840 175.510 -0.033 0.000 1.108 275 N CA 0.888 53.910 53.050 -0.046 0.000 0.745 275 N CB -1.104 37.368 38.487 -0.026 0.000 1.104 275 N HN 0.383 nan 8.380 nan 0.000 0.557 276 A N 0.749 123.541 122.820 -0.047 0.000 2.466 276 A HA 0.410 4.746 4.320 0.026 0.000 0.238 276 A C 1.732 179.316 177.584 -0.001 0.000 1.074 276 A CA 0.316 52.347 52.037 -0.009 0.000 0.774 276 A CB 0.095 19.098 19.000 0.004 0.000 1.015 276 A HN 0.440 nan 8.150 nan 0.000 0.498 277 I N -1.243 119.334 120.570 0.012 0.000 4.018 277 I HA 0.554 4.740 4.170 0.026 0.000 0.337 277 I C 0.609 176.734 176.117 0.013 0.000 1.327 277 I CA 0.292 61.599 61.300 0.012 0.000 1.100 277 I CB 0.001 38.009 38.000 0.013 0.000 1.025 277 I HN 0.658 nan 8.210 nan 0.000 0.396 278 G N 0.482 109.291 108.800 0.015 0.000 2.489 278 G HA2 0.532 4.507 3.960 0.026 0.000 0.291 278 G HA3 0.532 4.507 3.960 0.026 0.000 0.291 278 G C -1.852 173.054 174.900 0.010 0.000 1.487 278 G CA -0.434 44.672 45.100 0.010 0.000 0.795 278 G HN -0.105 nan 8.290 nan 0.000 0.513 279 V N 0.900 120.808 119.914 -0.009 0.000 2.686 279 V HA 0.596 4.731 4.120 0.026 0.000 0.306 279 V C -0.191 175.862 176.094 -0.068 0.000 1.065 279 V CA -0.631 61.654 62.300 -0.024 0.000 0.894 279 V CB 1.564 33.370 31.823 -0.028 0.000 1.004 279 V HN 0.693 nan 8.190 nan 0.000 0.424 280 L N 5.445 126.625 121.223 -0.072 0.000 2.331 280 L HA 0.701 5.056 4.340 0.026 0.000 0.275 280 L C -0.796 176.012 176.870 -0.103 0.000 1.022 280 L CA -0.621 54.162 54.840 -0.096 0.000 0.812 280 L CB 1.956 43.966 42.059 -0.082 0.000 1.257 280 L HN 0.475 nan 8.230 nan 0.000 0.435 281 I N 2.285 122.775 120.570 -0.132 0.000 2.533 281 I HA 0.399 4.585 4.170 0.026 0.000 0.290 281 I C -1.021 175.198 176.117 0.170 0.000 1.056 281 I CA -0.747 60.492 61.300 -0.102 0.000 1.057 281 I CB 1.866 39.583 38.000 -0.473 0.000 1.240 281 I HN 0.529 nan 8.210 nan 0.000 0.423 282 Y N 3.334 123.657 120.300 0.039 0.000 2.633 282 Y HA 0.789 5.355 4.550 0.026 0.000 0.339 282 Y C -1.073 174.769 175.900 -0.096 0.000 1.045 282 Y CA -1.534 56.612 58.100 0.077 0.000 1.098 282 Y CB 1.750 40.206 38.460 -0.007 0.000 1.296 282 Y HN 0.341 nan 8.280 nan 0.000 0.494 283 M N 4.184 123.542 119.600 -0.403 0.000 2.047 283 M HA 0.180 4.676 4.480 0.026 0.000 0.342 283 M C -0.948 175.266 176.300 -0.144 0.000 1.058 283 M CA -0.633 54.277 55.300 -0.649 0.000 0.991 283 M CB 0.665 32.552 32.600 -1.189 0.000 1.474 283 M HN 0.747 nan 8.290 nan 0.000 0.419 284 D N 2.560 122.894 120.400 -0.110 0.000 2.357 284 D HA -0.049 4.606 4.640 0.026 0.000 0.242 284 D C 0.254 176.685 176.300 0.217 0.000 1.153 284 D CA -0.218 53.879 54.000 0.162 0.000 0.918 284 D CB 1.419 42.292 40.800 0.121 0.000 1.181 284 D HN 0.673 nan 8.370 nan 0.000 0.435 285 Q N 0.602 120.516 119.800 0.189 0.000 2.230 285 Q HA -0.105 4.251 4.340 0.026 0.000 0.202 285 Q C 1.566 177.609 176.000 0.072 0.000 0.963 285 Q CA 1.073 56.953 55.803 0.127 0.000 0.866 285 Q CB 0.104 28.906 28.738 0.107 0.000 0.931 285 Q HN 0.609 nan 8.270 nan 0.000 0.452 286 T N 0.644 115.238 114.554 0.066 0.000 2.708 286 T HA -0.092 4.274 4.350 0.026 0.000 0.266 286 T C 1.653 176.316 174.700 -0.061 0.000 1.037 286 T CA 0.949 63.058 62.100 0.015 0.000 1.146 286 T CB 0.028 68.916 68.868 0.033 0.000 0.865 286 T HN 0.124 nan 8.240 nan 0.000 0.435 287 K N -0.179 120.161 120.400 -0.102 0.000 2.305 287 K HA 0.117 4.452 4.320 0.026 0.000 0.199 287 K C -0.390 175.718 176.600 -0.820 0.000 1.047 287 K CA 0.571 56.607 56.287 -0.419 0.000 0.976 287 K CB 0.242 32.490 32.500 -0.419 0.000 0.765 287 K HN 0.358 nan 8.250 nan 0.000 0.474 288 F N 1.439 121.327 119.950 -0.102 0.000 2.710 288 F HA 0.240 4.782 4.527 0.026 0.000 0.345 288 F C -2.192 173.518 175.800 -0.149 0.000 1.362 288 F CA -2.071 55.825 58.000 -0.174 0.000 1.175 288 F CB 1.394 40.259 39.000 -0.226 0.000 1.561 288 F HN -0.171 nan 8.300 nan 0.000 0.593 289 P HA 0.005 nan 4.420 nan 0.000 0.238 289 P C -0.050 177.242 177.300 -0.013 0.000 1.649 289 P CA 0.738 63.830 63.100 -0.014 0.000 0.960 289 P CB -0.370 31.310 31.700 -0.035 0.000 1.911 290 I N 0.136 120.707 120.570 0.002 0.000 2.365 290 I HA 0.055 4.241 4.170 0.026 0.000 0.291 290 I C 1.988 178.149 176.117 0.072 0.000 1.004 290 I CA -0.779 60.539 61.300 0.030 0.000 1.311 290 I CB 1.757 39.759 38.000 0.004 0.000 1.401 290 I HN -0.137 nan 8.210 nan 0.000 0.491 291 V N 3.935 123.907 119.914 0.097 0.000 2.261 291 V HA -0.210 3.925 4.120 0.026 0.000 0.246 291 V C 1.237 177.376 176.094 0.075 0.000 1.047 291 V CA 1.360 63.707 62.300 0.078 0.000 1.015 291 V CB -0.676 31.191 31.823 0.074 0.000 0.642 291 V HN 0.861 nan 8.190 nan 0.000 0.446 292 N N 1.228 119.982 118.700 0.090 0.000 2.416 292 N HA 0.138 4.894 4.740 0.026 0.000 0.271 292 N C 0.635 176.192 175.510 0.078 0.000 1.245 292 N CA 0.668 53.767 53.050 0.082 0.000 0.940 292 N CB 1.210 39.753 38.487 0.092 0.000 1.175 292 N HN 0.328 nan 8.380 nan 0.000 0.483 293 A N 3.909 126.770 122.820 0.068 0.000 2.238 293 A HA 0.019 4.355 4.320 0.026 0.000 0.208 293 A C 1.245 178.870 177.584 0.068 0.000 1.177 293 A CA 0.494 52.570 52.037 0.066 0.000 0.804 293 A CB -0.024 19.013 19.000 0.061 0.000 0.823 293 A HN 0.743 nan 8.150 nan 0.000 0.482 294 E N -0.573 119.671 120.200 0.074 0.000 2.479 294 E HA 0.070 4.436 4.350 0.026 0.000 0.193 294 E C -0.282 176.385 176.600 0.111 0.000 1.049 294 E CA -0.368 56.081 56.400 0.081 0.000 0.870 294 E CB -0.092 29.651 29.700 0.072 0.000 0.944 294 E HN 0.426 nan 8.360 nan 0.000 0.492 295 L N 2.916 124.210 121.223 0.118 0.000 2.559 295 L HA -0.049 4.306 4.340 0.026 0.000 0.274 295 L C 0.300 177.300 176.870 0.217 0.000 1.205 295 L CA 0.235 55.170 54.840 0.160 0.000 0.907 295 L CB 0.403 42.546 42.059 0.139 0.000 1.153 295 L HN -0.074 nan 8.230 nan 0.000 0.490 296 S N 4.773 120.648 115.700 0.291 0.000 2.651 296 S HA 0.856 5.342 4.470 0.026 0.000 0.291 296 S C -0.474 174.403 174.600 0.462 0.000 1.141 296 S CA -0.718 57.698 58.200 0.360 0.000 1.027 296 S CB 1.528 64.896 63.200 0.280 0.000 1.043 296 S HN 0.529 nan 8.310 nan 0.000 0.530 297 F N -1.062 118.875 119.950 -0.022 0.000 2.664 297 F HA 0.870 5.412 4.527 0.026 0.000 0.317 297 F C -1.300 174.261 175.800 -0.398 0.000 1.108 297 F CA -1.718 56.191 58.000 -0.151 0.000 0.957 297 F CB 1.155 40.121 39.000 -0.057 0.000 1.365 297 F HN 0.640 nan 8.300 nan 0.000 0.475 298 F N 0.409 119.941 119.950 -0.698 0.000 2.577 298 F HA 0.933 5.476 4.527 0.026 0.000 0.318 298 F C -0.381 175.103 175.800 -0.527 0.000 1.065 298 F CA -0.389 57.038 58.000 -0.956 0.000 0.929 298 F CB 2.182 40.206 39.000 -1.627 0.000 1.237 298 F HN 0.980 nan 8.300 nan 0.000 0.468 299 G N 2.184 109.905 108.800 -1.799 0.000 2.488 299 G HA2 0.394 4.370 3.960 0.026 0.000 0.301 299 G HA3 0.394 4.370 3.960 0.026 0.000 0.301 299 G C -2.169 171.960 174.900 -1.285 0.000 1.339 299 G CA -0.661 43.553 45.100 -1.476 0.000 0.803 299 G HN 1.095 nan 8.290 nan 0.000 0.482 300 H N -1.912 116.731 119.070 -0.712 0.000 2.834 300 H HA 0.791 5.363 4.556 0.026 0.000 0.369 300 H C -0.392 174.946 175.328 0.016 0.000 1.174 300 H CA -0.533 55.344 56.048 -0.285 0.000 1.165 300 H CB 2.061 31.792 29.762 -0.052 0.000 1.820 300 H HN 1.037 nan 8.280 nan 0.000 0.558 301 A N 1.518 124.507 122.820 0.282 0.000 2.631 301 A HA 0.054 4.390 4.320 0.026 0.000 0.294 301 A C 0.019 177.794 177.584 0.319 0.000 1.156 301 A CA -0.449 51.709 52.037 0.202 0.000 0.963 301 A CB -0.721 18.372 19.000 0.154 0.000 1.202 301 A HN 0.828 nan 8.150 nan 0.000 0.523 302 H N 0.523 119.871 119.070 0.463 0.000 2.819 302 H HA 0.241 4.812 4.556 0.026 0.000 0.303 302 H C -0.596 174.820 175.328 0.148 0.000 1.058 302 H CA -0.369 55.771 56.048 0.153 0.000 1.471 302 H CB 0.738 30.366 29.762 -0.222 0.000 1.480 302 H HN 0.229 nan 8.280 nan 0.000 0.517 303 L N 6.893 127.998 121.223 -0.197 0.000 2.533 303 L HA 0.237 4.592 4.340 0.026 0.000 0.239 303 L C 0.312 176.963 176.870 -0.366 0.000 1.376 303 L CA 0.786 55.508 54.840 -0.198 0.000 1.240 303 L CB -0.676 41.351 42.059 -0.054 0.000 1.487 303 L HN 0.923 nan 8.230 nan 0.000 0.419 304 G N -0.530 107.908 108.800 -0.603 0.000 2.364 304 G HA2 0.447 4.423 3.960 0.026 0.000 0.286 304 G HA3 0.447 4.423 3.960 0.026 0.000 0.286 304 G C -0.913 173.953 174.900 -0.056 0.000 1.241 304 G CA 0.104 45.074 45.100 -0.216 0.000 0.887 304 G HN 0.353 nan 8.290 nan 0.000 0.484 305 T N -3.035 111.650 114.554 0.218 0.000 2.864 305 T HA 0.877 5.243 4.350 0.026 0.000 0.289 305 T C 0.709 175.497 174.700 0.145 0.000 1.082 305 T CA 0.493 62.722 62.100 0.215 0.000 1.009 305 T CB 1.463 70.472 68.868 0.235 0.000 1.234 305 T HN 2.757 nan 8.240 nan 0.000 0.526 306 G N 0.716 109.542 108.800 0.043 0.000 2.782 306 G HA2 -0.006 3.970 3.960 0.026 0.000 0.228 306 G HA3 -0.006 3.970 3.960 0.026 0.000 0.228 306 G C -0.771 174.070 174.900 -0.097 0.000 1.372 306 G CA -0.174 44.892 45.100 -0.057 0.000 0.862 306 G HN 1.128 nan 8.290 nan 0.000 0.547 307 D N 0.667 120.990 120.400 -0.128 0.000 2.371 307 D HA 0.420 5.075 4.640 0.026 0.000 0.256 307 D C -0.582 175.517 176.300 -0.336 0.000 1.193 307 D CA -1.704 52.194 54.000 -0.170 0.000 0.881 307 D CB 1.200 41.969 40.800 -0.051 0.000 1.143 307 D HN 0.036 nan 8.370 nan 0.000 0.473 308 P HA -0.050 nan 4.420 nan 0.000 0.222 308 P C -0.256 176.679 177.300 -0.608 0.000 1.153 308 P CA 0.868 63.434 63.100 -0.890 0.000 0.798 308 P CB -0.019 30.743 31.700 -1.563 0.000 0.796 309 Y N -0.575 119.610 120.300 -0.191 0.000 2.812 309 Y HA 0.325 4.891 4.550 0.026 0.000 0.354 309 Y C 0.300 176.135 175.900 -0.109 0.000 1.276 309 Y CA -0.406 57.621 58.100 -0.121 0.000 1.639 309 Y CB -0.727 37.685 38.460 -0.080 0.000 1.741 309 Y HN -0.295 nan 8.280 nan 0.000 0.479 310 T N 4.438 118.969 114.554 -0.038 0.000 3.262 310 T HA 0.219 4.585 4.350 0.026 0.000 0.374 310 T C -2.260 172.360 174.700 -0.133 0.000 1.504 310 T CA -1.373 60.689 62.100 -0.063 0.000 1.158 310 T CB 0.074 68.896 68.868 -0.076 0.000 1.157 310 T HN 0.255 nan 8.240 nan 0.000 0.644 311 P HA 0.227 nan 4.420 nan 0.000 0.271 311 P C 1.072 178.082 177.300 -0.484 0.000 1.220 311 P CA -0.240 62.564 63.100 -0.492 0.000 0.768 311 P CB 1.058 32.411 31.700 -0.578 0.000 0.848 312 G N 2.388 110.891 108.800 -0.495 0.000 2.708 312 G HA2 0.109 4.085 3.960 0.026 0.000 0.210 312 G HA3 0.109 4.085 3.960 0.026 0.000 0.210 312 G C 0.108 175.000 174.900 -0.014 0.000 1.141 312 G CA -0.059 44.952 45.100 -0.148 0.000 0.788 312 G HN 0.591 nan 8.290 nan 0.000 0.531 313 F N -1.501 118.469 119.950 0.033 0.000 2.588 313 F HA 0.714 5.256 4.527 0.026 0.000 0.310 313 F C -2.759 173.061 175.800 0.034 0.000 1.082 313 F CA -3.663 54.355 58.000 0.029 0.000 0.929 313 F CB 0.695 39.709 39.000 0.023 0.000 1.254 313 F HN -0.275 nan 8.300 nan 0.000 0.455 314 P HA 0.348 nan 4.420 nan 0.000 0.276 314 P C -0.630 176.793 177.300 0.206 0.000 1.244 314 P CA -0.501 62.682 63.100 0.138 0.000 0.801 314 P CB 1.432 33.187 31.700 0.092 0.000 1.006 320 Q N 1.529 121.149 119.800 -0.300 0.000 2.340 320 Q HA 0.570 4.925 4.340 0.026 0.000 0.249 320 Q C -1.373 174.568 176.000 -0.099 0.000 0.957 320 Q CA 0.175 55.816 55.803 -0.271 0.000 0.882 320 Q CB 0.550 29.254 28.738 -0.057 0.000 1.235 320 Q HN 0.484 nan 8.270 nan 0.000 0.439 321 F N 2.471 122.452 119.950 0.051 0.000 2.460 321 F HA 0.428 4.970 4.527 0.026 0.000 0.341 321 F C -1.785 174.059 175.800 0.074 0.000 1.130 321 F CA -2.969 55.061 58.000 0.050 0.000 0.962 321 F CB 0.920 39.937 39.000 0.028 0.000 1.171 321 F HN 0.245 nan 8.300 nan 0.000 0.436 322 P HA 0.597 nan 4.420 nan 0.000 0.301 322 P C -2.564 174.829 177.300 0.154 0.000 1.337 322 P CA -1.437 61.795 63.100 0.219 0.000 0.889 322 P CB 0.611 32.477 31.700 0.277 0.000 1.050 323 P HA 0.190 nan 4.420 nan 0.000 0.271 323 P C 0.562 177.911 177.300 0.082 0.000 1.233 323 P CA -0.203 62.954 63.100 0.094 0.000 0.789 323 P CB 0.491 32.240 31.700 0.083 0.000 0.951 324 S N -0.386 115.354 115.700 0.066 0.000 2.441 324 S HA 0.026 4.512 4.470 0.026 0.000 0.224 324 S C 0.812 175.426 174.600 0.023 0.000 1.043 324 S CA 0.129 58.355 58.200 0.042 0.000 0.948 324 S CB -0.154 63.067 63.200 0.034 0.000 0.810 324 S HN 0.412 nan 8.310 nan 0.000 0.504 325 R N 0.492 121.010 120.500 0.031 0.000 4.087 325 R HA -0.163 4.193 4.340 0.026 0.000 0.243 325 R C 0.463 176.773 176.300 0.018 0.000 0.242 325 R CA 1.397 57.513 56.100 0.027 0.000 0.872 325 R CB -1.972 28.345 30.300 0.029 0.000 1.030 325 R HN 0.381 nan 8.270 nan 0.000 0.545 326 S N 1.324 117.031 115.700 0.012 0.000 3.983 326 S HA 0.168 4.653 4.470 0.026 0.000 0.194 326 S C 1.213 175.815 174.600 0.003 0.000 1.464 326 S CA 0.750 58.957 58.200 0.012 0.000 1.021 326 S CB -0.337 62.870 63.200 0.012 0.000 1.424 326 S HN 0.486 nan 8.310 nan 0.000 0.473 327 S N 1.340 117.040 115.700 -0.001 0.000 2.470 327 S HA 0.294 4.779 4.470 0.026 0.000 0.222 327 S C 1.678 176.321 174.600 0.071 0.000 1.024 327 S CA 0.497 58.685 58.200 -0.021 0.000 0.931 327 S CB -0.474 62.669 63.200 -0.094 0.000 0.791 327 S HN 1.361 nan 8.310 nan 0.000 0.513 328 G N 1.033 109.870 108.800 0.062 0.000 2.143 328 G HA2 -0.212 3.764 3.960 0.026 0.000 0.249 328 G HA3 -0.212 3.764 3.960 0.026 0.000 0.249 328 G C -0.118 174.864 174.900 0.136 0.000 0.981 328 G CA 0.240 45.387 45.100 0.079 0.000 0.665 328 G HN 0.520 nan 8.290 nan 0.000 0.528 329 L N 1.093 122.364 121.223 0.079 0.000 2.371 329 L HA 0.445 4.801 4.340 0.026 0.000 0.272 329 L C -1.540 175.375 176.870 0.075 0.000 1.124 329 L CA -2.072 52.803 54.840 0.058 0.000 0.816 329 L CB 0.776 42.819 42.059 -0.027 0.000 1.129 329 L HN -0.097 nan 8.230 nan 0.000 0.448 330 P HA 0.080 nan 4.420 nan 0.000 0.268 330 P C -0.438 176.906 177.300 0.074 0.000 1.205 330 P CA -0.122 63.028 63.100 0.084 0.000 0.771 330 P CB 0.477 32.239 31.700 0.103 0.000 0.858 331 N N 1.412 120.144 118.700 0.053 0.000 2.230 331 N HA 0.124 4.880 4.740 0.026 0.000 0.202 331 N C 0.439 175.974 175.510 0.041 0.000 1.119 331 N CA 0.217 53.295 53.050 0.046 0.000 0.851 331 N CB 0.284 38.792 38.487 0.034 0.000 0.990 331 N HN 0.476 nan 8.380 nan 0.000 0.497 332 I N -2.549 118.046 120.570 0.041 0.000 2.846 332 I HA 0.641 4.827 4.170 0.026 0.000 0.307 332 I C -2.946 173.194 176.117 0.039 0.000 1.053 332 I CA -2.733 58.587 61.300 0.033 0.000 1.050 332 I CB 2.135 40.148 38.000 0.021 0.000 1.239 332 I HN -0.350 nan 8.210 nan 0.000 0.439 333 P HA 0.236 nan 4.420 nan 0.000 0.276 333 P C -0.881 176.425 177.300 0.010 0.000 1.230 333 P CA -0.183 62.934 63.100 0.028 0.000 0.776 333 P CB 1.355 33.067 31.700 0.020 0.000 0.888 334 V N 3.307 123.224 119.914 0.004 0.000 2.789 334 V HA 0.713 4.849 4.120 0.026 0.000 0.311 334 V C -1.282 174.766 176.094 -0.076 0.000 1.073 334 V CA -0.481 61.792 62.300 -0.044 0.000 0.921 334 V CB 2.002 33.796 31.823 -0.048 0.000 1.009 334 V HN 0.508 nan 8.190 nan 0.000 0.426 335 Q N 3.112 122.831 119.800 -0.134 0.000 2.353 335 Q HA 0.546 4.901 4.340 0.026 0.000 0.275 335 Q C -1.148 174.700 176.000 -0.252 0.000 1.029 335 Q CA -0.181 55.530 55.803 -0.154 0.000 0.848 335 Q CB 2.360 31.051 28.738 -0.077 0.000 1.390 335 Q HN 0.923 nan 8.270 nan 0.000 0.401 336 T N 3.763 118.111 114.554 -0.343 0.000 2.837 336 T HA 0.758 5.124 4.350 0.026 0.000 0.285 336 T C -0.289 174.272 174.700 -0.231 0.000 0.984 336 T CA -0.494 61.293 62.100 -0.521 0.000 1.049 336 T CB 0.088 68.310 68.868 -1.076 0.000 0.947 336 T HN 0.551 nan 8.240 nan 0.000 0.472 337 I N 1.552 122.107 120.570 -0.024 0.000 2.934 337 I HA 0.740 4.925 4.170 0.026 0.000 0.306 337 I C 0.104 176.352 176.117 0.218 0.000 1.110 337 I CA -1.134 60.205 61.300 0.066 0.000 1.019 337 I CB 2.237 40.234 38.000 -0.006 0.000 1.227 337 I HN 0.663 nan 8.210 nan 0.000 0.434 338 S N 3.352 119.139 115.700 0.144 0.000 2.593 338 S HA 0.249 4.735 4.470 0.026 0.000 0.269 338 S C 1.017 175.675 174.600 0.097 0.000 1.334 338 S CA -0.401 57.884 58.200 0.143 0.000 1.015 338 S CB 1.402 64.662 63.200 0.102 0.000 0.912 338 S HN 0.927 nan 8.310 nan 0.000 0.541 339 R N 1.083 121.645 120.500 0.103 0.000 2.120 339 R HA -0.114 4.242 4.340 0.026 0.000 0.234 339 R C 2.287 178.596 176.300 0.014 0.000 1.123 339 R CA 1.440 57.611 56.100 0.117 0.000 0.975 339 R CB -1.124 29.264 30.300 0.147 0.000 0.866 339 R HN 0.874 nan 8.270 nan 0.000 0.446 340 A N 0.816 123.647 122.820 0.018 0.000 1.877 340 A HA -0.124 4.211 4.320 0.026 0.000 0.216 340 A C 2.360 179.903 177.584 -0.069 0.000 1.186 340 A CA 1.759 53.791 52.037 -0.008 0.000 0.620 340 A CB -0.762 18.248 19.000 0.016 0.000 0.822 340 A HN 0.496 nan 8.150 nan 0.000 0.443 341 A N -0.271 122.507 122.820 -0.070 0.000 1.933 341 A HA 0.149 4.484 4.320 0.026 0.000 0.218 341 A C 2.473 179.899 177.584 -0.263 0.000 1.175 341 A CA 2.111 54.078 52.037 -0.116 0.000 0.628 341 A CB -0.934 18.024 19.000 -0.070 0.000 0.814 341 A HN 1.065 nan 8.150 nan 0.000 0.444 342 A N -0.155 122.440 122.820 -0.375 0.000 1.898 342 A HA -0.149 4.187 4.320 0.026 0.000 0.216 342 A C 1.916 178.848 177.584 -1.087 0.000 1.181 342 A CA 1.497 53.029 52.037 -0.841 0.000 0.620 342 A CB -0.458 17.874 19.000 -1.113 0.000 0.819 342 A HN 0.621 nan 8.150 nan 0.000 0.442 343 E N -0.179 119.707 120.200 -0.523 0.000 2.208 343 E HA -0.150 4.215 4.350 0.026 0.000 0.193 343 E C 1.910 178.422 176.600 -0.147 0.000 0.988 343 E CA 1.033 57.308 56.400 -0.208 0.000 0.828 343 E CB -0.125 29.587 29.700 0.020 0.000 0.763 343 E HN 0.597 nan 8.360 nan 0.000 0.478 344 K N 0.664 120.957 120.400 -0.178 0.000 2.097 344 K HA -0.052 4.283 4.320 0.026 0.000 0.205 344 K C 2.192 178.712 176.600 -0.134 0.000 1.050 344 K CA 0.669 56.889 56.287 -0.110 0.000 0.938 344 K CB -0.016 32.433 32.500 -0.085 0.000 0.718 344 K HN 0.058 nan 8.250 nan 0.000 0.442 345 L N -0.063 121.006 121.223 -0.256 0.000 2.046 345 L HA -0.162 4.193 4.340 0.026 0.000 0.208 345 L C 2.169 178.982 176.870 -0.095 0.000 1.077 345 L CA 1.431 56.136 54.840 -0.225 0.000 0.747 345 L CB -0.454 41.398 42.059 -0.345 0.000 0.896 345 L HN 0.176 nan 8.230 nan 0.000 0.432 346 F N -0.168 119.739 119.950 -0.071 0.000 2.171 346 F HA -0.153 4.389 4.527 0.026 0.000 0.300 346 F C 2.542 178.323 175.800 -0.033 0.000 1.090 346 F CA 0.457 58.431 58.000 -0.044 0.000 1.293 346 F CB -0.800 38.175 39.000 -0.042 0.000 1.013 346 F HN 0.139 nan 8.300 nan 0.000 0.486 347 G N -0.040 108.836 108.800 0.128 0.000 2.499 347 G HA2 -0.268 3.708 3.960 0.026 0.000 0.221 347 G HA3 -0.268 3.708 3.960 0.026 0.000 0.221 347 G C 1.055 175.975 174.900 0.032 0.000 1.109 347 G CA 0.927 46.062 45.100 0.058 0.000 0.749 347 G HN 0.356 nan 8.290 nan 0.000 0.568 348 N N -0.222 118.498 118.700 0.033 0.000 2.275 348 N HA 0.285 5.041 4.740 0.026 0.000 0.236 348 N C -0.033 175.498 175.510 0.035 0.000 1.154 348 N CA 0.080 53.138 53.050 0.012 0.000 0.866 348 N CB 0.586 39.064 38.487 -0.015 0.000 1.093 348 N HN 0.325 nan 8.380 nan 0.000 0.515 349 M N 0.072 119.713 119.600 0.068 0.000 2.755 349 M HA 0.412 4.908 4.480 0.026 0.000 0.298 349 M C -0.752 175.572 176.300 0.041 0.000 1.251 349 M CA -0.556 54.788 55.300 0.074 0.000 0.817 349 M CB 2.427 35.115 32.600 0.147 0.000 1.760 349 M HN -0.156 nan 8.290 nan 0.000 0.473 350 E N -0.371 119.843 120.200 0.023 0.000 2.392 350 E HA 0.714 5.080 4.350 0.026 0.000 0.269 350 E C -0.890 175.696 176.600 -0.024 0.000 0.924 350 E CA -0.814 55.583 56.400 -0.004 0.000 0.784 350 E CB 2.454 32.151 29.700 -0.005 0.000 1.292 350 E HN 0.937 nan 8.360 nan 0.000 0.447 351 G N 2.019 110.791 108.800 -0.046 0.000 3.322 351 G HA2 -0.139 3.836 3.960 0.026 0.000 0.686 351 G HA3 -0.139 3.836 3.960 0.026 0.000 0.686 351 G C -1.153 173.672 174.900 -0.126 0.000 1.015 351 G CA -0.809 44.248 45.100 -0.072 0.000 0.826 351 G HN 0.492 nan 8.290 nan 0.000 0.538 352 D N 0.399 120.712 120.400 -0.145 0.000 2.341 352 D HA 0.471 5.127 4.640 0.026 0.000 0.245 352 D C 1.060 177.175 176.300 -0.308 0.000 1.106 352 D CA 0.278 54.158 54.000 -0.199 0.000 0.905 352 D CB 0.680 41.383 40.800 -0.162 0.000 1.202 352 D HN 0.639 nan 8.370 nan 0.000 0.426 353 c N 2.716 121.078 118.600 -0.397 0.000 2.605 353 c HA 0.290 4.876 4.570 0.026 0.000 0.404 353 c C -1.923 171.777 174.090 -0.650 0.000 1.284 353 c CA -1.362 54.566 56.329 -0.670 0.000 2.199 353 c CB -0.233 41.906 42.510 -0.618 0.000 2.647 353 c HN 0.543 nan 8.230 nan 0.000 0.604 354 P HA 0.043 nan 4.420 nan 0.000 0.262 354 P C 0.734 177.768 177.300 -0.442 0.000 1.182 354 P CA 0.458 63.151 63.100 -0.677 0.000 0.761 354 P CB 0.466 31.624 31.700 -0.905 0.000 0.795 355 S N 1.290 116.851 115.700 -0.232 0.000 2.440 355 S HA -0.192 4.294 4.470 0.026 0.000 0.238 355 S C 1.221 175.800 174.600 -0.034 0.000 1.010 355 S CA 1.175 59.308 58.200 -0.113 0.000 0.972 355 S CB -0.660 62.491 63.200 -0.080 0.000 0.774 355 S HN 0.384 nan 8.310 nan 0.000 0.501 356 D N 0.840 121.223 120.400 -0.028 0.000 2.221 356 D HA -0.078 4.577 4.640 0.026 0.000 0.204 356 D C 1.065 177.523 176.300 0.264 0.000 0.982 356 D CA 0.838 54.899 54.000 0.100 0.000 0.857 356 D CB -0.306 40.566 40.800 0.121 0.000 0.934 356 D HN 0.581 nan 8.370 nan 0.000 0.475 357 W N 0.714 121.987 121.300 -0.046 0.000 2.519 357 W HA 0.067 4.743 4.660 0.026 0.000 0.266 357 W C 0.745 177.246 176.519 -0.031 0.000 1.253 357 W CA -0.140 57.173 57.345 -0.054 0.000 1.274 357 W CB -0.503 28.866 29.460 -0.153 0.000 1.114 357 W HN -0.091 nan 8.180 nan 0.000 0.596 358 K N 0.080 120.585 120.400 0.175 0.000 3.419 358 K HA -0.216 4.119 4.320 0.026 0.000 0.272 358 K C 0.016 176.668 176.600 0.087 0.000 0.973 358 K CA 1.095 57.440 56.287 0.097 0.000 0.749 358 K CB -1.420 31.134 32.500 0.090 0.000 1.403 358 K HN 0.050 nan 8.250 nan 0.000 0.456 359 T N -0.637 113.964 114.554 0.078 0.000 2.910 359 T HA 0.344 4.710 4.350 0.026 0.000 0.287 359 T C -0.849 173.876 174.700 0.043 0.000 1.050 359 T CA -1.003 61.139 62.100 0.070 0.000 1.011 359 T CB 0.896 69.821 68.868 0.095 0.000 1.195 359 T HN 0.170 nan 8.240 nan 0.000 0.540 360 D N 1.522 121.965 120.400 0.071 0.000 2.443 360 D HA 0.047 4.702 4.640 0.026 0.000 0.234 360 D C 1.409 177.709 176.300 0.000 0.000 1.172 360 D CA 0.376 54.411 54.000 0.059 0.000 0.878 360 D CB 0.815 41.688 40.800 0.122 0.000 1.204 360 D HN 0.595 nan 8.370 nan 0.000 0.453 361 S N 0.017 115.714 115.700 -0.005 0.000 2.481 361 S HA -0.137 4.348 4.470 0.026 0.000 0.231 361 S C 1.694 176.264 174.600 -0.050 0.000 0.996 361 S CA 0.861 59.038 58.200 -0.038 0.000 0.942 361 S CB -0.280 62.906 63.200 -0.023 0.000 0.768 361 S HN 0.464 nan 8.310 nan 0.000 0.520 362 T N 1.742 116.292 114.554 -0.006 0.000 2.720 362 T HA -0.110 4.256 4.350 0.026 0.000 0.268 362 T C 1.316 175.925 174.700 -0.151 0.000 1.037 362 T CA 1.160 63.276 62.100 0.026 0.000 1.144 362 T CB -1.061 67.906 68.868 0.165 0.000 0.864 362 T HN 0.698 nan 8.240 nan 0.000 0.444 363 c N 3.804 122.190 118.600 -0.356 0.000 2.597 363 c HA 0.251 4.837 4.570 0.026 0.000 0.412 363 c C 0.601 174.268 174.090 -0.706 0.000 1.348 363 c CA -0.214 55.552 56.329 -0.939 0.000 1.769 363 c CB -0.689 41.526 42.510 -0.490 0.000 2.641 363 c HN 0.332 nan 8.230 nan 0.000 0.612 364 R N 4.663 124.656 120.500 -0.845 0.000 2.869 364 R HA 0.460 4.816 4.340 0.026 0.000 0.263 364 R C 0.353 176.586 176.300 -0.112 0.000 1.066 364 R CA -0.800 55.118 56.100 -0.303 0.000 0.960 364 R CB 1.201 31.444 30.300 -0.096 0.000 1.221 364 R HN 0.655 nan 8.270 nan 0.000 0.474 365 M N -0.186 119.400 119.600 -0.022 0.000 2.730 365 M HA 0.262 4.758 4.480 0.026 0.000 0.258 365 M C 0.136 176.511 176.300 0.125 0.000 1.279 365 M CA 0.677 56.017 55.300 0.067 0.000 1.183 365 M CB 0.461 33.050 32.600 -0.020 0.000 1.291 365 M HN 0.218 nan 8.290 nan 0.000 0.518 366 V N 0.408 120.371 119.914 0.081 0.000 3.012 366 V HA 0.314 4.449 4.120 0.026 0.000 0.307 366 V C -0.166 175.964 176.094 0.060 0.000 1.166 366 V CA -1.328 61.014 62.300 0.071 0.000 0.974 366 V CB 1.708 33.551 31.823 0.034 0.000 1.040 366 V HN 0.377 nan 8.190 nan 0.000 0.428 367 T N 0.588 115.175 114.554 0.054 0.000 2.932 367 T HA 0.260 4.625 4.350 0.026 0.000 0.312 367 T C 0.550 175.263 174.700 0.023 0.000 1.071 367 T CA -0.257 61.867 62.100 0.039 0.000 1.128 367 T CB 0.478 69.364 68.868 0.030 0.000 0.984 367 T HN 0.660 nan 8.240 nan 0.000 0.549 368 S N 1.102 116.811 115.700 0.016 0.000 2.563 368 S HA 0.006 4.491 4.470 0.026 0.000 0.269 368 S C 1.554 176.157 174.600 0.005 0.000 1.364 368 S CA -0.441 57.763 58.200 0.006 0.000 1.010 368 S CB 0.431 63.631 63.200 0.000 0.000 0.877 368 S HN 0.957 nan 8.310 nan 0.000 0.549 369 E N 1.747 121.948 120.200 0.002 0.000 2.097 369 E HA -0.190 4.175 4.350 0.026 0.000 0.196 369 E C 1.947 178.550 176.600 0.005 0.000 1.000 369 E CA 1.998 58.400 56.400 0.002 0.000 0.804 369 E CB -0.205 29.495 29.700 0.000 0.000 0.740 369 E HN 0.670 nan 8.360 nan 0.000 0.454 370 S N -1.094 114.609 115.700 0.004 0.000 2.562 370 S HA 0.080 4.565 4.470 0.026 0.000 0.221 370 S C 0.279 174.886 174.600 0.012 0.000 0.975 370 S CA -0.065 58.140 58.200 0.007 0.000 0.918 370 S CB 0.021 63.223 63.200 0.004 0.000 0.772 370 S HN 0.044 nan 8.310 nan 0.000 0.531 371 K N 1.814 122.220 120.400 0.010 0.000 2.371 371 K HA 0.561 4.897 4.320 0.026 0.000 0.251 371 K C -1.144 175.467 176.600 0.018 0.000 0.934 371 K CA -0.807 55.488 56.287 0.014 0.000 0.798 371 K CB 1.370 33.872 32.500 0.004 0.000 1.204 371 K HN 0.360 nan 8.250 nan 0.000 0.427 372 N N -1.007 117.707 118.700 0.024 0.000 2.732 372 N HA 0.405 5.160 4.740 0.026 0.000 0.259 372 N C -1.374 174.150 175.510 0.023 0.000 1.402 372 N CA -0.856 52.207 53.050 0.022 0.000 0.829 372 N CB 1.020 39.520 38.487 0.021 0.000 1.495 372 N HN 0.174 nan 8.380 nan 0.000 0.511 373 V N -0.284 119.640 119.914 0.017 0.000 2.713 373 V HA 0.498 4.633 4.120 0.026 0.000 0.307 373 V C 0.002 176.104 176.094 0.012 0.000 1.052 373 V CA -0.665 61.642 62.300 0.012 0.000 0.967 373 V CB 1.391 33.212 31.823 -0.003 0.000 1.019 373 V HN 0.813 nan 8.190 nan 0.000 0.459 374 K N 3.392 123.799 120.400 0.011 0.000 2.345 374 K HA 0.672 5.008 4.320 0.026 0.000 0.255 374 K C -1.739 174.863 176.600 0.003 0.000 0.934 374 K CA -0.676 55.617 56.287 0.009 0.000 0.801 374 K CB 1.725 34.233 32.500 0.013 0.000 1.137 374 K HN 0.488 nan 8.250 nan 0.000 0.424 375 L N 3.029 124.253 121.223 0.001 0.000 2.341 375 L HA 0.518 4.873 4.340 0.026 0.000 0.278 375 L C -1.348 175.524 176.870 0.003 0.000 1.005 375 L CA 0.218 55.056 54.840 -0.003 0.000 0.818 375 L CB 2.163 44.217 42.059 -0.008 0.000 1.259 375 L HN 0.625 nan 8.230 nan 0.000 0.418 376 T N 4.810 119.366 114.554 0.003 0.000 2.833 376 T HA 0.576 4.942 4.350 0.026 0.000 0.297 376 T C -0.813 173.894 174.700 0.010 0.000 1.015 376 T CA -0.333 61.771 62.100 0.007 0.000 0.963 376 T CB 1.143 70.014 68.868 0.005 0.000 0.955 376 T HN 0.360 nan 8.240 nan 0.000 0.449 377 V N 3.627 123.551 119.914 0.016 0.000 2.417 377 V HA 0.518 4.653 4.120 0.026 0.000 0.291 377 V C 0.581 176.688 176.094 0.022 0.000 1.024 377 V CA -0.675 61.640 62.300 0.024 0.000 0.861 377 V CB 1.770 33.615 31.823 0.037 0.000 0.985 377 V HN 1.017 nan 8.190 nan 0.000 0.436 378 S N 2.055 117.764 115.700 0.014 0.000 2.809 378 S HA 0.255 4.741 4.470 0.026 0.000 0.248 378 S C 0.166 174.762 174.600 -0.008 0.000 1.071 378 S CA -0.800 57.402 58.200 0.004 0.000 1.059 378 S CB -0.396 62.803 63.200 -0.002 0.000 0.923 378 S HN 0.655 nan 8.310 nan 0.000 0.516 379 N N 2.624 121.325 118.700 0.002 0.000 2.345 379 N HA 0.247 5.003 4.740 0.026 0.000 0.243 379 N C 0.109 175.613 175.510 -0.010 0.000 1.246 379 N CA 0.173 53.211 53.050 -0.020 0.000 0.863 379 N CB 0.822 39.341 38.487 0.053 0.000 1.096 379 N HN 0.530 nan 8.380 nan 0.000 0.446 380 V N -1.369 118.526 119.914 -0.031 0.000 2.864 380 V HA 0.526 4.662 4.120 0.026 0.000 0.314 380 V C -0.031 176.043 176.094 -0.033 0.000 1.073 380 V CA -1.182 61.098 62.300 -0.034 0.000 0.956 380 V CB 1.614 33.412 31.823 -0.042 0.000 1.023 380 V HN 0.401 nan 8.190 nan 0.000 0.435 381 L N 2.950 124.127 121.223 -0.078 0.000 2.367 381 L HA 0.515 4.871 4.340 0.026 0.000 0.275 381 L C 0.180 177.000 176.870 -0.084 0.000 1.129 381 L CA 0.070 54.841 54.840 -0.116 0.000 0.839 381 L CB 0.895 42.786 42.059 -0.281 0.000 1.133 381 L HN 0.831 nan 8.230 nan 0.000 0.453 382 K N 3.065 123.433 120.400 -0.053 0.000 2.378 382 K HA 0.312 4.647 4.320 0.026 0.000 0.252 382 K C -0.961 175.630 176.600 -0.016 0.000 0.931 382 K CA -0.725 55.545 56.287 -0.028 0.000 0.794 382 K CB 2.153 34.648 32.500 -0.008 0.000 1.181 382 K HN 0.483 nan 8.250 nan 0.000 0.425 383 E N 4.450 124.655 120.200 0.009 0.000 2.259 383 E HA 0.305 4.671 4.350 0.026 0.000 0.281 383 E C -0.607 176.052 176.600 0.098 0.000 1.027 383 E CA -0.541 55.893 56.400 0.057 0.000 0.838 383 E CB 0.635 30.371 29.700 0.060 0.000 1.066 383 E HN 0.516 nan 8.360 nan 0.000 0.401 384 I N 0.293 120.937 120.570 0.124 0.000 2.892 384 I HA 0.526 4.711 4.170 0.026 0.000 0.306 384 I C -0.908 175.306 176.117 0.161 0.000 1.078 384 I CA -1.255 60.118 61.300 0.122 0.000 1.032 384 I CB 1.994 40.016 38.000 0.036 0.000 1.229 384 I HN 0.321 nan 8.210 nan 0.000 0.435 385 K N 6.069 126.524 120.400 0.092 0.000 2.292 385 K HA 0.534 4.870 4.320 0.026 0.000 0.270 385 K C -0.701 175.845 176.600 -0.090 0.000 1.062 385 K CA -0.615 55.585 56.287 -0.145 0.000 0.916 385 K CB 0.754 33.182 32.500 -0.120 0.000 1.166 385 K HN 0.759 nan 8.250 nan 0.000 0.458 386 I N 1.782 122.304 120.570 -0.079 0.000 2.566 386 I HA 0.436 4.621 4.170 0.026 0.000 0.303 386 I C -1.059 175.068 176.117 0.017 0.000 0.983 386 I CA -1.063 60.243 61.300 0.010 0.000 1.235 386 I CB 1.157 39.199 38.000 0.071 0.000 1.386 386 I HN 0.438 nan 8.210 nan 0.000 0.494 387 L N 4.593 125.840 121.223 0.040 0.000 2.349 387 L HA 0.446 4.801 4.340 0.026 0.000 0.278 387 L C -0.775 176.120 176.870 0.042 0.000 0.996 387 L CA -0.606 54.257 54.840 0.038 0.000 0.825 387 L CB 1.510 43.565 42.059 -0.006 0.000 1.243 387 L HN 0.613 nan 8.230 nan 0.000 0.412 388 N N 4.349 123.103 118.700 0.090 0.000 2.419 388 N HA 0.376 5.131 4.740 0.026 0.000 0.264 388 N C -0.574 174.736 175.510 -0.332 0.000 1.031 388 N CA -0.412 52.582 53.050 -0.094 0.000 0.951 388 N CB 1.785 40.348 38.487 0.127 0.000 1.101 388 N HN 0.308 nan 8.380 nan 0.000 0.488 389 I N 3.216 123.471 120.570 -0.524 0.000 2.331 389 I HA 0.369 4.555 4.170 0.026 0.000 0.292 389 I C -0.094 175.593 176.117 -0.716 0.000 0.998 389 I CA -0.576 60.442 61.300 -0.471 0.000 1.267 389 I CB -0.303 37.482 38.000 -0.358 0.000 1.386 389 I HN 0.267 nan 8.210 nan 0.000 0.476 390 F N 3.343 122.936 119.950 -0.596 0.000 2.520 390 F HA 0.719 5.261 4.527 0.025 0.000 0.322 390 F C 0.721 176.207 175.800 -0.523 0.000 1.103 390 F CA -0.531 56.936 58.000 -0.890 0.000 0.926 390 F CB 2.397 40.031 39.000 -2.277 0.000 1.154 390 F HN 0.475 nan 8.300 nan 0.000 0.453 391 G N 1.072 109.772 108.800 -0.167 0.000 2.519 391 G HA2 0.625 4.601 3.960 0.026 0.000 0.307 391 G HA3 0.625 4.601 3.960 0.026 0.000 0.307 391 G C -2.147 172.818 174.900 0.108 0.000 1.266 391 G CA -0.962 44.057 45.100 -0.135 0.000 0.970 391 G HN 0.623 nan 8.290 nan 0.000 0.481 392 V N 2.226 122.282 119.914 0.236 0.000 2.733 392 V HA 0.572 4.707 4.120 0.026 0.000 0.306 392 V C -0.969 175.240 176.094 0.190 0.000 1.084 392 V CA -0.898 61.541 62.300 0.232 0.000 0.905 392 V CB 1.641 33.639 31.823 0.292 0.000 1.010 392 V HN 0.636 nan 8.190 nan 0.000 0.424 393 I N 6.880 127.558 120.570 0.179 0.000 2.306 393 I HA 0.395 4.581 4.170 0.026 0.000 0.288 393 I C 0.438 176.624 176.117 0.115 0.000 1.036 393 I CA -0.481 60.916 61.300 0.162 0.000 1.221 393 I CB 1.029 39.158 38.000 0.215 0.000 1.385 393 I HN 0.498 nan 8.210 nan 0.000 0.472 394 K N 4.286 124.733 120.400 0.077 0.000 2.382 394 K HA 0.227 4.563 4.320 0.026 0.000 0.275 394 K C 0.653 177.295 176.600 0.071 0.000 1.009 394 K CA -0.222 56.093 56.287 0.048 0.000 0.970 394 K CB 0.754 33.237 32.500 -0.028 0.000 0.934 394 K HN 0.771 nan 8.250 nan 0.000 0.479 395 G N 1.236 110.108 108.800 0.120 0.000 2.527 395 G HA2 0.114 4.090 3.960 0.026 0.000 0.248 395 G HA3 0.114 4.090 3.960 0.026 0.000 0.248 395 G C -0.008 174.993 174.900 0.169 0.000 1.231 395 G CA -0.452 44.768 45.100 0.201 0.000 0.838 395 G HN 0.504 nan 8.290 nan 0.000 0.570 396 F N 0.626 120.553 119.950 -0.037 0.000 2.698 396 F HA 0.149 4.692 4.527 0.027 0.000 0.295 396 F C 2.092 177.874 175.800 -0.031 0.000 1.124 396 F CA 0.202 58.181 58.000 -0.035 0.000 1.426 396 F CB 0.323 39.296 39.000 -0.045 0.000 1.120 396 F HN 0.238 nan 8.300 nan 0.000 0.583 397 V N -1.182 118.820 119.914 0.146 0.000 2.950 397 V HA 0.095 4.231 4.120 0.026 0.000 0.231 397 V C -0.175 175.909 176.094 -0.016 0.000 1.205 397 V CA 0.211 62.542 62.300 0.051 0.000 1.239 397 V CB 0.137 31.979 31.823 0.031 0.000 1.050 397 V HN -0.029 nan 8.190 nan 0.000 0.498 398 E N 1.206 121.385 120.200 -0.036 0.000 2.683 398 E HA 0.287 4.652 4.350 0.026 0.000 0.224 398 E C -2.341 174.231 176.600 -0.046 0.000 1.046 398 E CA -1.633 54.683 56.400 -0.140 0.000 0.811 398 E CB 1.546 31.052 29.700 -0.322 0.000 1.296 398 E HN 0.322 nan 8.360 nan 0.000 0.421 399 P HA -0.145 nan 4.420 nan 0.000 0.222 399 P C 0.727 178.109 177.300 0.137 0.000 1.153 399 P CA 0.839 63.987 63.100 0.081 0.000 0.798 399 P CB 0.173 31.895 31.700 0.038 0.000 0.796 400 D N -1.715 118.702 120.400 0.028 0.000 2.378 400 D HA -0.130 4.525 4.640 0.026 0.000 0.227 400 D C 0.110 176.387 176.300 -0.037 0.000 1.012 400 D CA 0.469 54.496 54.000 0.045 0.000 0.905 400 D CB -0.959 39.836 40.800 -0.008 0.000 0.895 400 D HN 0.310 nan 8.370 nan 0.000 0.532 401 H N -0.822 118.136 119.070 -0.186 0.000 2.469 401 H HA 0.419 4.990 4.556 0.025 0.000 0.342 401 H C -0.861 174.447 175.328 -0.033 0.000 1.115 401 H CA -1.013 54.895 56.048 -0.233 0.000 1.204 401 H CB 1.319 31.116 29.762 0.058 0.000 1.492 401 H HN -0.023 nan 8.280 nan 0.000 0.499 402 Y N -0.304 120.154 120.300 0.263 0.000 2.545 402 Y HA 0.447 5.013 4.550 0.027 0.000 0.348 402 Y C -0.655 174.878 175.900 -0.611 0.000 1.002 402 Y CA -1.404 56.693 58.100 -0.006 0.000 1.039 402 Y CB 0.785 39.265 38.460 0.032 0.000 1.271 402 Y HN 0.199 nan 8.280 nan 0.000 0.467 403 V N 2.843 122.516 119.914 -0.401 0.000 2.465 403 V HA 0.435 4.571 4.120 0.026 0.000 0.279 403 V C -0.229 175.771 176.094 -0.157 0.000 1.045 403 V CA -0.837 61.187 62.300 -0.459 0.000 0.938 403 V CB 1.098 32.773 31.823 -0.245 0.000 0.986 403 V HN 0.629 nan 8.190 nan 0.000 0.467 404 V N 5.388 125.271 119.914 -0.051 0.000 2.398 404 V HA 0.468 4.603 4.120 0.026 0.000 0.286 404 V C -0.174 175.895 176.094 -0.042 0.000 1.026 404 V CA -0.534 61.805 62.300 0.064 0.000 0.868 404 V CB 1.775 33.825 31.823 0.378 0.000 0.982 404 V HN 0.635 nan 8.190 nan 0.000 0.443 405 V N 3.979 123.815 119.914 -0.130 0.000 2.409 405 V HA 0.872 5.007 4.120 0.026 0.000 0.291 405 V C 0.559 176.629 176.094 -0.040 0.000 1.020 405 V CA -0.183 62.031 62.300 -0.143 0.000 0.848 405 V CB 1.408 33.177 31.823 -0.090 0.000 0.990 405 V HN 0.985 nan 8.190 nan 0.000 0.430 406 G N 2.794 111.587 108.800 -0.011 0.000 2.574 406 G HA2 0.894 4.869 3.960 0.026 0.000 0.299 406 G HA3 0.894 4.869 3.960 0.026 0.000 0.299 406 G C -1.132 173.858 174.900 0.149 0.000 1.298 406 G CA -0.362 44.796 45.100 0.098 0.000 0.952 406 G HN 1.145 nan 8.290 nan 0.000 0.477 407 A N 0.217 123.077 122.820 0.066 0.000 2.549 407 A HA 0.720 5.056 4.320 0.026 0.000 0.297 407 A C -0.510 177.207 177.584 0.222 0.000 1.061 407 A CA -0.630 51.508 52.037 0.167 0.000 0.690 407 A CB 1.800 20.849 19.000 0.083 0.000 1.287 407 A HN 0.773 nan 8.150 nan 0.000 0.402 408 Q N 1.236 121.200 119.800 0.274 0.000 2.296 408 Q HA 0.298 4.653 4.340 0.026 0.000 0.262 408 Q C 0.573 176.662 176.000 0.148 0.000 0.981 408 Q CA -0.185 55.775 55.803 0.262 0.000 0.905 408 Q CB 0.673 29.551 28.738 0.234 0.000 1.186 408 Q HN 0.776 nan 8.270 nan 0.000 0.399 409 R N 3.203 123.778 120.500 0.125 0.000 2.237 409 R HA 0.020 4.376 4.340 0.026 0.000 0.195 409 R C -0.181 176.163 176.300 0.074 0.000 0.956 409 R CA 0.476 56.611 56.100 0.057 0.000 1.029 409 R CB 0.449 30.751 30.300 0.002 0.000 0.972 409 R HN 0.787 nan 8.270 nan 0.000 0.493 410 D N 0.271 120.742 120.400 0.118 0.000 2.253 410 D HA 0.415 5.070 4.640 0.026 0.000 0.249 410 D C -1.011 175.362 176.300 0.123 0.000 1.049 410 D CA -0.391 53.683 54.000 0.123 0.000 0.929 410 D CB 1.951 42.852 40.800 0.168 0.000 1.176 410 D HN 0.155 nan 8.370 nan 0.000 0.437 411 A N 1.029 123.910 122.820 0.101 0.000 2.594 411 A HA 0.319 4.654 4.320 0.026 0.000 0.295 411 A C -0.298 177.328 177.584 0.070 0.000 1.071 411 A CA -0.978 51.121 52.037 0.104 0.000 0.685 411 A CB 0.800 19.867 19.000 0.111 0.000 1.285 411 A HN 0.748 nan 8.150 nan 0.000 0.405 412 W N 2.413 123.603 121.300 -0.183 0.000 2.354 412 W HA 0.167 4.843 4.660 0.026 0.000 0.315 412 W C 1.263 177.718 176.519 -0.106 0.000 1.206 412 W CA 2.839 60.001 57.345 -0.305 0.000 1.290 412 W CB -0.227 28.877 29.460 -0.594 0.000 1.152 412 W HN 0.887 nan 8.180 nan 0.000 0.489 413 G N -0.805 107.968 108.800 -0.045 0.000 3.182 413 G HA2 0.172 4.148 3.960 0.026 0.000 0.167 413 G HA3 0.172 4.148 3.960 0.026 0.000 0.167 413 G C -1.839 173.015 174.900 -0.076 0.000 1.537 413 G CA 0.203 45.170 45.100 -0.222 0.000 1.046 413 G HN -0.038 nan 8.290 nan 0.000 0.580 414 P HA 0.083 nan 4.420 nan 0.000 0.218 414 P C 1.172 178.515 177.300 0.072 0.000 1.152 414 P CA 1.485 64.601 63.100 0.027 0.000 0.826 414 P CB 0.017 31.741 31.700 0.040 0.000 0.790 415 G N -0.196 108.672 108.800 0.113 0.000 2.366 415 G HA2 -0.229 3.747 3.960 0.026 0.000 0.299 415 G HA3 -0.229 3.747 3.960 0.026 0.000 0.299 415 G C 1.087 176.054 174.900 0.112 0.000 1.020 415 G CA 0.342 45.522 45.100 0.135 0.000 1.026 415 G HN 0.490 nan 8.290 nan 0.000 0.512 416 A N 0.012 122.904 122.820 0.120 0.000 1.865 416 A HA 0.245 4.580 4.320 0.026 0.000 0.217 416 A C 2.820 180.446 177.584 0.070 0.000 1.191 416 A CA 2.635 54.737 52.037 0.108 0.000 0.623 416 A CB -0.794 18.290 19.000 0.139 0.000 0.826 416 A HN 1.839 nan 8.150 nan 0.000 0.444 417 A N -0.537 122.313 122.820 0.049 0.000 1.930 417 A HA -0.055 4.280 4.320 0.026 0.000 0.215 417 A C 2.108 179.688 177.584 -0.007 0.000 1.176 417 A CA 1.829 53.827 52.037 -0.065 0.000 0.632 417 A CB -0.407 18.410 19.000 -0.305 0.000 0.819 417 A HN 0.570 nan 8.150 nan 0.000 0.445 418 K N -1.026 119.417 120.400 0.071 0.000 2.147 418 K HA -0.094 4.241 4.320 0.026 0.000 0.205 418 K C 1.870 178.518 176.600 0.079 0.000 1.049 418 K CA 1.830 58.171 56.287 0.090 0.000 0.936 418 K CB -0.099 32.486 32.500 0.141 0.000 0.722 418 K HN 0.403 nan 8.250 nan 0.000 0.446 419 S N -2.247 113.498 115.700 0.075 0.000 3.084 419 S HA 0.182 4.667 4.470 0.026 0.000 0.262 419 S C 1.627 176.259 174.600 0.053 0.000 1.081 419 S CA 0.205 58.449 58.200 0.074 0.000 0.855 419 S CB -0.086 63.164 63.200 0.083 0.000 0.857 419 S HN 0.459 nan 8.310 nan 0.000 0.449 420 G N 2.040 110.870 108.800 0.051 0.000 2.433 420 G HA2 -0.124 3.852 3.960 0.026 0.000 0.216 420 G HA3 -0.124 3.852 3.960 0.026 0.000 0.216 420 G C 1.423 176.352 174.900 0.050 0.000 1.186 420 G CA 1.405 46.532 45.100 0.045 0.000 0.779 420 G HN 0.404 nan 8.290 nan 0.000 0.543 421 V N 1.792 121.731 119.914 0.043 0.000 2.231 421 V HA -0.176 3.960 4.120 0.026 0.000 0.248 421 V C 3.201 179.317 176.094 0.036 0.000 1.054 421 V CA 2.376 64.695 62.300 0.031 0.000 1.015 421 V CB -1.330 30.484 31.823 -0.015 0.000 0.638 421 V HN 0.465 nan 8.190 nan 0.000 0.444 422 G N -0.702 108.114 108.800 0.025 0.000 2.476 422 G HA2 -0.304 3.671 3.960 0.026 0.000 0.218 422 G HA3 -0.304 3.671 3.960 0.026 0.000 0.218 422 G C 1.672 176.608 174.900 0.061 0.000 1.164 422 G CA 1.775 46.897 45.100 0.036 0.000 0.768 422 G HN 0.494 nan 8.290 nan 0.000 0.560 423 T N 1.505 116.090 114.554 0.052 0.000 2.821 423 T HA 0.081 4.446 4.350 0.026 0.000 0.267 423 T C 2.796 177.539 174.700 0.072 0.000 1.046 423 T CA 1.438 63.563 62.100 0.042 0.000 1.139 423 T CB -0.339 68.530 68.868 0.001 0.000 0.871 423 T HN 0.410 nan 8.240 nan 0.000 0.454 424 A N 1.581 124.453 122.820 0.088 0.000 1.858 424 A HA -0.015 4.320 4.320 0.026 0.000 0.216 424 A C 2.292 179.997 177.584 0.200 0.000 1.190 424 A CA 1.276 53.396 52.037 0.139 0.000 0.617 424 A CB -0.922 18.174 19.000 0.160 0.000 0.827 424 A HN 0.476 nan 8.150 nan 0.000 0.443 425 L N -1.146 120.189 121.223 0.187 0.000 2.042 425 L HA -0.197 4.159 4.340 0.026 0.000 0.210 425 L C 2.577 179.566 176.870 0.198 0.000 1.076 425 L CA 1.222 56.187 54.840 0.209 0.000 0.749 425 L CB -0.653 41.476 42.059 0.116 0.000 0.893 425 L HN 0.435 nan 8.230 nan 0.000 0.432 426 L N -0.162 121.162 121.223 0.169 0.000 2.012 426 L HA -0.229 4.127 4.340 0.026 0.000 0.210 426 L C 2.382 179.359 176.870 0.179 0.000 1.073 426 L CA 1.756 56.716 54.840 0.200 0.000 0.748 426 L CB -0.343 41.819 42.059 0.171 0.000 0.891 426 L HN 0.097 nan 8.230 nan 0.000 0.431 427 L N -0.918 120.411 121.223 0.177 0.000 2.046 427 L HA -0.196 4.160 4.340 0.026 0.000 0.208 427 L C 2.618 179.507 176.870 0.032 0.000 1.077 427 L CA 1.117 56.086 54.840 0.216 0.000 0.747 427 L CB -0.627 41.553 42.059 0.201 0.000 0.896 427 L HN 0.205 nan 8.230 nan 0.000 0.432 428 K N 0.093 120.506 120.400 0.023 0.000 2.103 428 K HA -0.059 4.277 4.320 0.026 0.000 0.204 428 K C 2.111 178.622 176.600 -0.147 0.000 1.052 428 K CA 1.079 57.304 56.287 -0.103 0.000 0.945 428 K CB -0.387 32.098 32.500 -0.024 0.000 0.722 428 K HN 0.292 nan 8.250 nan 0.000 0.443 429 L N 0.701 121.923 121.223 -0.002 0.000 2.017 429 L HA -0.180 4.176 4.340 0.026 0.000 0.208 429 L C 2.604 179.399 176.870 -0.125 0.000 1.073 429 L CA 1.297 56.165 54.840 0.047 0.000 0.745 429 L CB -0.671 41.590 42.059 0.337 0.000 0.894 429 L HN 0.110 nan 8.230 nan 0.000 0.432 430 A N -0.522 121.973 122.820 -0.541 0.000 1.883 430 A HA -0.319 4.016 4.320 0.026 0.000 0.217 430 A C 2.247 179.371 177.584 -0.766 0.000 1.186 430 A CA 2.115 53.457 52.037 -1.159 0.000 0.624 430 A CB -0.692 17.658 19.000 -1.084 0.000 0.822 430 A HN 0.506 nan 8.150 nan 0.000 0.444 431 Q N -0.957 118.198 119.800 -1.075 0.000 2.030 431 Q HA -0.210 4.146 4.340 0.026 0.000 0.204 431 Q C 2.206 177.881 176.000 -0.542 0.000 0.986 431 Q CA 2.027 57.069 55.803 -1.269 0.000 0.843 431 Q CB -0.222 27.711 28.738 -1.343 0.000 0.904 431 Q HN 0.709 nan 8.270 nan 0.000 0.420 432 M N -0.538 118.809 119.600 -0.423 0.000 2.082 432 M HA -0.217 4.279 4.480 0.026 0.000 0.258 432 M C 2.023 178.186 176.300 -0.229 0.000 1.071 432 M CA 1.824 56.919 55.300 -0.341 0.000 1.103 432 M CB -0.465 31.876 32.600 -0.432 0.000 1.307 432 M HN 0.246 nan 8.290 nan 0.000 0.409 433 F N -0.519 119.426 119.950 -0.008 0.000 2.171 433 F HA -0.223 4.319 4.527 0.026 0.000 0.300 433 F C 2.917 178.809 175.800 0.153 0.000 1.090 433 F CA 1.304 59.406 58.000 0.171 0.000 1.293 433 F CB -0.516 38.695 39.000 0.352 0.000 1.013 433 F HN 0.165 nan 8.300 nan 0.000 0.486 434 S N -0.173 115.637 115.700 0.183 0.000 2.368 434 S HA -0.204 4.281 4.470 0.026 0.000 0.225 434 S C 1.775 176.443 174.600 0.114 0.000 1.030 434 S CA 1.626 59.908 58.200 0.136 0.000 0.999 434 S CB -0.343 62.893 63.200 0.060 0.000 0.844 434 S HN 0.277 nan 8.310 nan 0.000 0.459 435 D N 0.712 121.134 120.400 0.038 0.000 2.144 435 D HA -0.019 4.637 4.640 0.026 0.000 0.200 435 D C 1.903 178.253 176.300 0.083 0.000 0.978 435 D CA 0.971 54.991 54.000 0.033 0.000 0.833 435 D CB -0.232 40.546 40.800 -0.038 0.000 0.961 435 D HN 0.424 nan 8.370 nan 0.000 0.470 436 M N -0.224 119.455 119.600 0.131 0.000 2.229 436 M HA -0.113 4.383 4.480 0.026 0.000 0.264 436 M C 2.072 178.550 176.300 0.297 0.000 1.063 436 M CA 0.658 56.078 55.300 0.199 0.000 1.114 436 M CB 0.228 32.967 32.600 0.231 0.000 1.387 436 M HN -0.093 nan 8.290 nan 0.000 0.420 437 V N 0.459 120.561 119.914 0.313 0.000 2.323 437 V HA -0.225 3.911 4.120 0.026 0.000 0.244 437 V C 2.120 178.327 176.094 0.189 0.000 1.041 437 V CA 1.520 63.964 62.300 0.240 0.000 1.025 437 V CB -0.560 31.400 31.823 0.228 0.000 0.656 437 V HN 0.449 nan 8.190 nan 0.000 0.451 438 L N -0.904 120.413 121.223 0.158 0.000 2.162 438 L HA -0.034 4.321 4.340 0.026 0.000 0.205 438 L C 2.457 179.385 176.870 0.097 0.000 1.086 438 L CA 1.418 56.331 54.840 0.122 0.000 0.778 438 L CB -0.457 41.664 42.059 0.103 0.000 0.928 438 L HN 0.235 nan 8.230 nan 0.000 0.446 439 K N -0.413 120.038 120.400 0.086 0.000 2.190 439 K HA 0.011 4.346 4.320 0.026 0.000 0.202 439 K C 1.047 177.687 176.600 0.066 0.000 1.045 439 K CA 0.718 57.043 56.287 0.063 0.000 0.976 439 K CB 0.195 32.719 32.500 0.041 0.000 0.849 439 K HN 0.137 nan 8.250 nan 0.000 0.468 440 D N -0.484 119.964 120.400 0.080 0.000 2.339 440 D HA 0.074 4.730 4.640 0.026 0.000 0.217 440 D C 0.915 177.272 176.300 0.095 0.000 1.050 440 D CA 0.629 54.671 54.000 0.070 0.000 0.856 440 D CB 1.001 41.829 40.800 0.047 0.000 0.922 440 D HN 0.436 nan 8.370 nan 0.000 0.518 441 G N 1.296 110.167 108.800 0.118 0.000 2.176 441 G HA2 -0.293 3.682 3.960 0.026 0.000 0.253 441 G HA3 -0.293 3.682 3.960 0.026 0.000 0.253 441 G C 0.200 175.172 174.900 0.121 0.000 0.979 441 G CA -0.246 44.915 45.100 0.101 0.000 0.641 441 G HN 0.310 nan 8.290 nan 0.000 0.530 442 F N 2.082 122.029 119.950 -0.005 0.000 2.623 442 F HA 0.454 4.996 4.527 0.024 0.000 0.383 442 F C 0.673 176.365 175.800 -0.181 0.000 1.077 442 F CA 0.053 58.039 58.000 -0.024 0.000 1.268 442 F CB 0.464 39.507 39.000 0.070 0.000 1.053 442 F HN 0.288 nan 8.300 nan 0.000 0.571 443 Q N 7.444 126.897 119.800 -0.579 0.000 2.932 443 Q HA 0.296 4.652 4.340 0.026 0.000 0.248 443 Q C -2.474 172.928 176.000 -0.998 0.000 0.982 443 Q CA -2.019 52.963 55.803 -1.369 0.000 0.730 443 Q CB 1.071 29.103 28.738 -1.176 0.000 1.249 443 Q HN 0.398 nan 8.270 nan 0.000 0.476 444 P HA -0.024 nan 4.420 nan 0.000 0.262 444 P C 0.258 177.515 177.300 -0.072 0.000 1.182 444 P CA 0.490 63.345 63.100 -0.408 0.000 0.761 444 P CB 1.197 32.702 31.700 -0.326 0.000 0.795 445 S N 2.357 118.068 115.700 0.019 0.000 2.355 445 S HA -0.084 4.402 4.470 0.026 0.000 0.222 445 S C 0.814 175.483 174.600 0.115 0.000 1.031 445 S CA 1.268 59.504 58.200 0.059 0.000 0.993 445 S CB -0.170 63.040 63.200 0.016 0.000 0.859 445 S HN 0.476 nan 8.310 nan 0.000 0.453 446 R N 0.765 121.358 120.500 0.155 0.000 2.782 446 R HA 0.572 4.928 4.340 0.026 0.000 0.258 446 R C -0.190 176.252 176.300 0.238 0.000 1.055 446 R CA -0.367 55.871 56.100 0.231 0.000 1.065 446 R CB 0.759 31.291 30.300 0.386 0.000 1.172 446 R HN -0.007 nan 8.270 nan 0.000 0.510 447 S N 0.578 116.442 115.700 0.273 0.000 2.592 447 S HA 0.363 4.848 4.470 0.026 0.000 0.271 447 S C 0.119 174.808 174.600 0.148 0.000 1.326 447 S CA -0.370 57.964 58.200 0.223 0.000 1.024 447 S CB 0.318 63.700 63.200 0.304 0.000 0.921 447 S HN 0.307 nan 8.310 nan 0.000 0.527 448 I N 2.321 122.897 120.570 0.011 0.000 2.389 448 I HA 0.436 4.622 4.170 0.026 0.000 0.288 448 I C -0.681 175.248 176.117 -0.313 0.000 0.999 448 I CA -0.278 60.895 61.300 -0.212 0.000 1.129 448 I CB 1.114 38.897 38.000 -0.361 0.000 1.288 448 I HN 0.389 nan 8.210 nan 0.000 0.444 449 I N 5.806 126.170 120.570 -0.344 0.000 2.404 449 I HA 0.395 4.581 4.170 0.026 0.000 0.293 449 I C -0.907 174.933 176.117 -0.463 0.000 0.992 449 I CA -0.512 60.638 61.300 -0.250 0.000 1.149 449 I CB 1.346 39.314 38.000 -0.054 0.000 1.315 449 I HN 0.336 nan 8.210 nan 0.000 0.446 450 F N 4.545 124.416 119.950 -0.133 0.000 2.415 450 F HA 0.647 5.190 4.527 0.027 0.000 0.348 450 F C 0.444 176.068 175.800 -0.294 0.000 1.119 450 F CA -0.619 57.267 58.000 -0.191 0.000 1.069 450 F CB 1.634 40.458 39.000 -0.294 0.000 1.124 450 F HN 0.418 nan 8.300 nan 0.000 0.472 451 A N 2.075 124.710 122.820 -0.308 0.000 2.311 451 A HA 0.570 4.906 4.320 0.026 0.000 0.306 451 A C -0.522 176.469 177.584 -0.988 0.000 1.189 451 A CA -0.633 50.788 52.037 -1.026 0.000 0.791 451 A CB 1.157 19.233 19.000 -1.540 0.000 1.172 451 A HN 0.582 nan 8.150 nan 0.000 0.481 452 S N 2.993 118.186 115.700 -0.846 0.000 2.404 452 S HA 0.490 4.976 4.470 0.026 0.000 0.309 452 S C -0.669 173.629 174.600 -0.503 0.000 1.076 452 S CA -0.384 57.493 58.200 -0.538 0.000 1.095 452 S CB -0.189 62.799 63.200 -0.352 0.000 0.972 452 S HN 0.538 nan 8.310 nan 0.000 0.484 453 W N 2.894 124.132 121.300 -0.104 0.000 2.375 453 W HA 0.564 5.239 4.660 0.025 0.000 0.336 453 W C 0.880 177.396 176.519 -0.006 0.000 1.160 453 W CA -0.806 56.505 57.345 -0.056 0.000 1.266 453 W CB 1.079 30.563 29.460 0.040 0.000 1.195 453 W HN 0.515 nan 8.180 nan 0.000 0.599 454 S N 0.875 116.758 115.700 0.304 0.000 2.689 454 S HA 0.593 5.078 4.470 0.026 0.000 0.306 454 S C 0.335 175.068 174.600 0.221 0.000 1.104 454 S CA 0.105 58.431 58.200 0.209 0.000 0.973 454 S CB 1.112 64.396 63.200 0.141 0.000 1.121 454 S HN 1.315 nan 8.310 nan 0.000 0.523 455 A N 0.614 123.573 122.820 0.231 0.000 2.799 455 A HA -0.159 4.177 4.320 0.026 0.000 0.287 455 A C 1.379 179.147 177.584 0.307 0.000 1.484 455 A CA 1.522 53.745 52.037 0.309 0.000 0.813 455 A CB -2.251 16.862 19.000 0.188 0.000 1.009 455 A HN 1.456 nan 8.150 nan 0.000 0.545 456 G N -0.903 108.055 108.800 0.264 0.000 2.422 456 G HA2 -0.109 3.866 3.960 0.026 0.000 0.218 456 G HA3 -0.109 3.866 3.960 0.026 0.000 0.218 456 G C 1.003 176.041 174.900 0.230 0.000 1.140 456 G CA 1.278 46.511 45.100 0.222 0.000 0.775 456 G HN 0.584 nan 8.290 nan 0.000 0.545 457 D N -0.232 120.316 120.400 0.247 0.000 2.310 457 D HA -0.000 4.655 4.640 0.026 0.000 0.212 457 D C 1.279 177.650 176.300 0.117 0.000 0.965 457 D CA 0.297 54.410 54.000 0.188 0.000 0.879 457 D CB -0.125 40.743 40.800 0.112 0.000 0.921 457 D HN 0.365 nan 8.370 nan 0.000 0.510 458 F N -0.692 119.368 119.950 0.183 0.000 2.693 458 F HA 0.316 4.859 4.527 0.026 0.000 0.303 458 F C 1.353 176.926 175.800 -0.379 0.000 1.097 458 F CA 0.156 58.151 58.000 -0.009 0.000 1.330 458 F CB 0.867 39.922 39.000 0.092 0.000 1.067 458 F HN -0.072 nan 8.300 nan 0.000 0.565 459 G N -0.146 108.648 108.800 -0.009 0.000 2.797 459 G HA2 -0.141 3.834 3.960 0.026 0.000 0.192 459 G HA3 -0.141 3.834 3.960 0.026 0.000 0.192 459 G C 0.445 175.413 174.900 0.113 0.000 1.101 459 G CA -0.362 44.778 45.100 0.067 0.000 0.930 459 G HN 0.137 nan 8.290 nan 0.000 0.512 460 S N -2.384 113.386 115.700 0.118 0.000 3.521 460 S HA -0.301 4.185 4.470 0.026 0.000 0.362 460 S C 2.070 176.655 174.600 -0.025 0.000 1.044 460 S CA 1.037 59.256 58.200 0.032 0.000 1.091 460 S CB -1.499 61.711 63.200 0.017 0.000 0.908 460 S HN 1.441 nan 8.310 nan 0.000 0.473 461 V N 1.123 121.064 119.914 0.046 0.000 2.261 461 V HA -0.218 3.918 4.120 0.026 0.000 0.246 461 V C 2.796 178.853 176.094 -0.062 0.000 1.047 461 V CA 2.435 64.739 62.300 0.006 0.000 1.015 461 V CB -1.488 30.375 31.823 0.067 0.000 0.642 461 V HN 0.735 nan 8.190 nan 0.000 0.446 462 G N -0.155 108.645 108.800 -0.000 0.000 2.553 462 G HA2 -0.318 3.657 3.960 0.026 0.000 0.218 462 G HA3 -0.318 3.657 3.960 0.026 0.000 0.218 462 G C 1.790 176.617 174.900 -0.121 0.000 1.195 462 G CA 1.496 46.620 45.100 0.040 0.000 0.779 462 G HN 0.646 nan 8.290 nan 0.000 0.577 463 A N -0.123 122.383 122.820 -0.523 0.000 1.883 463 A HA -0.048 4.288 4.320 0.026 0.000 0.217 463 A C 2.551 179.868 177.584 -0.446 0.000 1.186 463 A CA 2.640 54.021 52.037 -1.094 0.000 0.624 463 A CB -1.033 17.198 19.000 -1.282 0.000 0.822 463 A HN 0.337 nan 8.150 nan 0.000 0.444 464 T N -0.171 114.196 114.554 -0.312 0.000 2.777 464 T HA -0.097 4.269 4.350 0.026 0.000 0.266 464 T C 1.833 176.405 174.700 -0.214 0.000 1.040 464 T CA 1.392 63.331 62.100 -0.268 0.000 1.141 464 T CB -0.219 68.514 68.868 -0.225 0.000 0.868 464 T HN 0.453 nan 8.240 nan 0.000 0.444 465 E N 0.186 120.257 120.200 -0.214 0.000 2.077 465 E HA -0.130 4.236 4.350 0.026 0.000 0.193 465 E C 1.789 178.333 176.600 -0.094 0.000 0.989 465 E CA 0.967 57.189 56.400 -0.296 0.000 0.800 465 E CB -0.399 28.853 29.700 -0.747 0.000 0.746 465 E HN 0.665 nan 8.360 nan 0.000 0.452 466 W N 1.681 122.927 121.300 -0.091 0.000 2.354 466 W HA -0.132 4.543 4.660 0.025 0.000 0.315 466 W C 2.112 178.761 176.519 0.218 0.000 1.206 466 W CA 1.358 58.861 57.345 0.264 0.000 1.290 466 W CB -0.575 29.213 29.460 0.546 0.000 1.152 466 W HN -0.027 nan 8.180 nan 0.000 0.489 467 L N 0.505 121.773 121.223 0.075 0.000 2.089 467 L HA -0.296 4.060 4.340 0.026 0.000 0.213 467 L C 2.302 179.171 176.870 -0.002 0.000 1.079 467 L CA 2.011 56.786 54.840 -0.107 0.000 0.758 467 L CB -0.891 41.069 42.059 -0.164 0.000 0.891 467 L HN 0.091 nan 8.230 nan 0.000 0.433 468 E N -0.472 119.717 120.200 -0.019 0.000 2.274 468 E HA -0.124 4.242 4.350 0.026 0.000 0.194 468 E C 2.148 178.704 176.600 -0.073 0.000 0.996 468 E CA 0.630 57.048 56.400 0.031 0.000 0.840 468 E CB -0.151 29.524 29.700 -0.043 0.000 0.772 468 E HN 0.556 nan 8.360 nan 0.000 0.491 469 G N 0.028 108.689 108.800 -0.231 0.000 2.470 469 G HA2 -0.213 3.762 3.960 0.026 0.000 0.220 469 G HA3 -0.213 3.762 3.960 0.026 0.000 0.220 469 G C 0.517 175.002 174.900 -0.692 0.000 1.121 469 G CA 0.564 45.352 45.100 -0.519 0.000 0.766 469 G HN 0.270 nan 8.290 nan 0.000 0.553 470 Y N -0.507 119.698 120.300 -0.157 0.000 2.634 470 Y HA 0.362 4.928 4.550 0.027 0.000 0.292 470 Y C 1.436 177.278 175.900 -0.096 0.000 0.996 470 Y CA -1.109 56.903 58.100 -0.147 0.000 1.165 470 Y CB 0.269 38.588 38.460 -0.234 0.000 1.194 470 Y HN 0.014 nan 8.280 nan 0.000 0.585 471 L N 1.257 122.493 121.223 0.023 0.000 2.017 471 L HA -0.370 3.986 4.340 0.026 0.000 0.234 471 L C 2.063 178.913 176.870 -0.033 0.000 1.097 471 L CA 2.858 57.681 54.840 -0.030 0.000 0.816 471 L CB -0.717 41.322 42.059 -0.034 0.000 0.914 471 L HN 0.392 nan 8.230 nan 0.000 0.444 472 S N -2.934 112.771 115.700 0.008 0.000 2.539 472 S HA 0.129 4.614 4.470 0.026 0.000 0.221 472 S C 1.514 176.106 174.600 -0.012 0.000 0.987 472 S CA 0.214 58.428 58.200 0.022 0.000 0.929 472 S CB -0.207 63.011 63.200 0.031 0.000 0.832 472 S HN 0.669 nan 8.310 nan 0.000 0.492 473 S N 1.049 116.752 115.700 0.005 0.000 2.497 473 S HA 0.203 4.688 4.470 0.026 0.000 0.218 473 S C 1.565 176.091 174.600 -0.122 0.000 1.023 473 S CA -0.032 58.124 58.200 -0.074 0.000 0.913 473 S CB -0.492 62.703 63.200 -0.007 0.000 0.800 473 S HN 0.274 nan 8.310 nan 0.000 0.505 474 L N 3.450 124.665 121.223 -0.013 0.000 2.127 474 L HA -0.091 4.264 4.340 0.026 0.000 0.211 474 L C 2.256 179.095 176.870 -0.053 0.000 1.089 474 L CA 2.393 57.196 54.840 -0.062 0.000 0.757 474 L CB -1.138 40.908 42.059 -0.022 0.000 0.899 474 L HN 0.749 nan 8.230 nan 0.000 0.434 475 H N -2.855 116.142 119.070 -0.121 0.000 2.567 475 H HA 0.013 4.584 4.556 0.025 0.000 0.276 475 H C 1.489 176.714 175.328 -0.172 0.000 1.016 475 H CA 0.925 56.914 56.048 -0.097 0.000 1.186 475 H CB -0.435 29.258 29.762 -0.114 0.000 1.351 475 H HN 0.415 nan 8.280 nan 0.000 0.605 476 L N -0.377 120.441 121.223 -0.675 0.000 2.607 476 L HA 0.226 4.581 4.340 0.026 0.000 0.228 476 L C 1.433 178.029 176.870 -0.456 0.000 1.123 476 L CA 0.332 54.820 54.840 -0.587 0.000 0.890 476 L CB 0.218 41.945 42.059 -0.553 0.000 1.103 476 L HN 0.224 nan 8.230 nan 0.000 0.468 477 K N 0.172 120.344 120.400 -0.381 0.000 2.410 477 K HA 0.325 4.661 4.320 0.026 0.000 0.204 477 K C 0.715 177.016 176.600 -0.497 0.000 1.268 477 K CA 0.233 56.216 56.287 -0.507 0.000 0.896 477 K CB 0.379 32.609 32.500 -0.450 0.000 1.401 477 K HN 0.038 nan 8.250 nan 0.000 0.479 478 A N 1.929 124.670 122.820 -0.132 0.000 2.310 478 A HA 0.338 4.674 4.320 0.026 0.000 0.300 478 A C 0.268 177.894 177.584 0.069 0.000 1.269 478 A CA -0.410 51.668 52.037 0.068 0.000 0.909 478 A CB -0.527 18.701 19.000 0.380 0.000 1.144 478 A HN 0.437 nan 8.150 nan 0.000 0.540 479 F N 0.723 120.713 119.950 0.068 0.000 2.749 479 F HA 0.430 4.975 4.527 0.030 0.000 0.300 479 F C 0.303 176.185 175.800 0.137 0.000 1.103 479 F CA -0.173 57.869 58.000 0.069 0.000 1.342 479 F CB 0.051 39.053 39.000 0.005 0.000 1.098 479 F HN 0.289 nan 8.300 nan 0.000 0.586 480 T N -0.158 114.319 114.554 -0.128 0.000 3.159 480 T HA 0.239 4.605 4.350 0.026 0.000 0.343 480 T C -2.401 172.313 174.700 0.025 0.000 1.364 480 T CA -0.516 61.597 62.100 0.022 0.000 1.102 480 T CB 1.612 70.509 68.868 0.050 0.000 1.263 480 T HN 0.135 nan 8.240 nan 0.000 0.477 481 Y N 3.688 123.945 120.300 -0.071 0.000 2.341 481 Y HA 0.757 5.322 4.550 0.026 0.000 0.338 481 Y C -1.170 174.668 175.900 -0.104 0.000 0.965 481 Y CA -1.322 56.642 58.100 -0.228 0.000 1.108 481 Y CB 0.711 38.730 38.460 -0.736 0.000 1.180 481 Y HN 0.583 nan 8.280 nan 0.000 0.458 482 I N 6.846 127.018 120.570 -0.664 0.000 2.355 482 I HA 0.247 4.432 4.170 0.026 0.000 0.288 482 I C -0.259 175.390 176.117 -0.780 0.000 0.999 482 I CA -0.555 60.489 61.300 -0.428 0.000 1.163 482 I CB 1.071 39.063 38.000 -0.013 0.000 1.316 482 I HN 0.642 nan 8.210 nan 0.000 0.454 483 N N 6.398 124.772 118.700 -0.543 0.000 2.499 483 N HA 0.323 5.079 4.740 0.026 0.000 0.281 483 N C 0.124 175.535 175.510 -0.165 0.000 1.098 483 N CA -0.343 52.534 53.050 -0.288 0.000 0.979 483 N CB 1.392 39.895 38.487 0.026 0.000 1.121 483 N HN 0.624 nan 8.380 nan 0.000 0.466 484 L N 1.525 122.697 121.223 -0.085 0.000 2.728 484 L HA 0.237 4.593 4.340 0.026 0.000 0.238 484 L C -0.291 176.516 176.870 -0.106 0.000 1.143 484 L CA -0.232 54.534 54.840 -0.123 0.000 0.937 484 L CB 0.136 42.193 42.059 -0.003 0.000 1.225 484 L HN 0.392 nan 8.230 nan 0.000 0.507 485 D N 2.149 122.521 120.400 -0.046 0.000 2.390 485 D HA 0.080 4.736 4.640 0.026 0.000 0.249 485 D C 0.461 176.718 176.300 -0.073 0.000 1.144 485 D CA 0.116 54.111 54.000 -0.008 0.000 0.880 485 D CB 0.734 41.576 40.800 0.070 0.000 1.182 485 D HN 0.034 nan 8.370 nan 0.000 0.451 486 K N 0.723 121.089 120.400 -0.056 0.000 3.071 486 K HA -0.243 4.092 4.320 0.026 0.000 0.265 486 K C 0.703 177.233 176.600 -0.117 0.000 1.060 486 K CA 0.528 56.769 56.287 -0.077 0.000 0.767 486 K CB -1.624 30.848 32.500 -0.047 0.000 1.241 486 K HN 0.465 nan 8.250 nan 0.000 0.486 487 A N 0.250 122.981 122.820 -0.148 0.000 2.066 487 A HA 0.067 4.402 4.320 0.026 0.000 0.218 487 A C 0.877 178.480 177.584 0.032 0.000 1.157 487 A CA 1.006 52.941 52.037 -0.169 0.000 0.670 487 A CB 0.524 19.380 19.000 -0.239 0.000 0.804 487 A HN 0.140 nan 8.150 nan 0.000 0.453 488 V N 0.520 120.425 119.914 -0.014 0.000 2.380 488 V HA 0.385 4.520 4.120 0.026 0.000 0.286 488 V C 0.233 176.265 176.094 -0.104 0.000 1.015 488 V CA -0.170 62.131 62.300 0.001 0.000 0.834 488 V CB 1.196 32.988 31.823 -0.052 0.000 1.009 488 V HN 0.418 nan 8.190 nan 0.000 0.428 489 L N 3.261 124.450 121.223 -0.057 0.000 3.327 489 L HA 0.635 4.991 4.340 0.026 0.000 0.299 489 L C 0.912 177.808 176.870 0.042 0.000 1.201 489 L CA 0.526 55.279 54.840 -0.144 0.000 1.059 489 L CB 1.250 43.271 42.059 -0.063 0.000 1.488 489 L HN 0.782 nan 8.230 nan 0.000 0.609 490 G N -1.268 107.585 108.800 0.089 0.000 2.494 490 G HA2 0.293 4.269 3.960 0.026 0.000 0.308 490 G HA3 0.293 4.269 3.960 0.026 0.000 0.308 490 G C -0.373 174.613 174.900 0.142 0.000 1.263 490 G CA 0.508 45.686 45.100 0.130 0.000 0.840 490 G HN -0.328 nan 8.290 nan 0.000 0.479 491 T N -0.727 113.924 114.554 0.162 0.000 3.010 491 T HA 0.194 4.560 4.350 0.026 0.000 0.253 491 T C 2.298 177.190 174.700 0.320 0.000 0.939 491 T CA 1.207 63.417 62.100 0.185 0.000 0.910 491 T CB -0.044 68.899 68.868 0.125 0.000 1.226 491 T HN 0.320 nan 8.240 nan 0.000 0.508 492 S N 2.190 118.032 115.700 0.237 0.000 2.368 492 S HA 0.103 4.588 4.470 0.026 0.000 0.224 492 S C 0.794 175.550 174.600 0.259 0.000 1.029 492 S CA 0.812 59.135 58.200 0.205 0.000 0.988 492 S CB -0.016 63.252 63.200 0.113 0.000 0.838 492 S HN 0.428 nan 8.310 nan 0.000 0.462 493 N N -0.340 118.510 118.700 0.250 0.000 2.381 493 N HA 0.493 5.249 4.740 0.026 0.000 0.294 493 N C -1.547 174.087 175.510 0.207 0.000 1.216 493 N CA -0.609 52.560 53.050 0.199 0.000 0.803 493 N CB 1.264 39.805 38.487 0.090 0.000 1.372 493 N HN 0.157 nan 8.380 nan 0.000 0.500 494 F N 1.022 120.935 119.950 -0.062 0.000 2.445 494 F HA 0.482 5.024 4.527 0.025 0.000 0.348 494 F C -0.735 174.967 175.800 -0.163 0.000 1.125 494 F CA -0.662 57.162 58.000 -0.294 0.000 0.983 494 F CB 0.823 39.566 39.000 -0.428 0.000 1.198 494 F HN 0.105 nan 8.300 nan 0.000 0.436 495 K N 3.789 123.772 120.400 -0.695 0.000 2.156 495 K HA 0.833 5.169 4.320 0.026 0.000 0.250 495 K C -1.442 174.768 176.600 -0.650 0.000 0.955 495 K CA -0.780 55.215 56.287 -0.487 0.000 0.855 495 K CB 2.188 34.543 32.500 -0.242 0.000 1.101 495 K HN 0.435 nan 8.250 nan 0.000 0.434 496 V N 1.146 120.860 119.914 -0.334 0.000 2.808 496 V HA 0.534 4.670 4.120 0.026 0.000 0.308 496 V C -1.140 174.940 176.094 -0.024 0.000 1.099 496 V CA -0.731 61.473 62.300 -0.161 0.000 0.920 496 V CB 2.428 34.199 31.823 -0.086 0.000 1.014 496 V HN 0.761 nan 8.190 nan 0.000 0.425 497 S N 2.443 118.153 115.700 0.017 0.000 2.538 497 S HA 0.980 5.466 4.470 0.026 0.000 0.288 497 S C -0.452 174.177 174.600 0.047 0.000 1.108 497 S CA -0.167 58.041 58.200 0.014 0.000 0.971 497 S CB 1.964 65.153 63.200 -0.020 0.000 1.041 497 S HN 1.364 nan 8.310 nan 0.000 0.483 498 A N 1.302 124.140 122.820 0.030 0.000 2.567 498 A HA 0.775 5.110 4.320 0.026 0.000 0.291 498 A C -0.350 177.151 177.584 -0.140 0.000 1.048 498 A CA -0.706 51.345 52.037 0.024 0.000 0.661 498 A CB 0.649 19.740 19.000 0.152 0.000 1.288 498 A HN 0.808 nan 8.150 nan 0.000 0.424 499 S N 0.298 115.879 115.700 -0.198 0.000 2.558 499 S HA 0.280 4.765 4.470 0.026 0.000 0.288 499 S C -1.451 172.859 174.600 -0.484 0.000 1.318 499 S CA -0.118 57.906 58.200 -0.294 0.000 1.056 499 S CB 0.379 63.548 63.200 -0.052 0.000 0.853 499 S HN 0.354 nan 8.310 nan 0.000 0.505 500 P HA -0.028 nan 4.420 nan 0.000 0.221 500 P C 1.140 177.930 177.300 -0.851 0.000 1.145 500 P CA 0.893 63.059 63.100 -1.556 0.000 0.795 500 P CB 0.008 30.975 31.700 -1.221 0.000 0.775 501 L N -1.814 119.154 121.223 -0.426 0.000 2.353 501 L HA -0.107 4.249 4.340 0.026 0.000 0.220 501 L C 1.663 178.484 176.870 -0.082 0.000 1.133 501 L CA 1.097 55.854 54.840 -0.138 0.000 0.798 501 L CB -0.499 41.612 42.059 0.086 0.000 0.922 501 L HN 0.058 nan 8.230 nan 0.000 0.445 502 L N -2.663 118.509 121.223 -0.085 0.000 2.808 502 L HA 0.051 4.407 4.340 0.026 0.000 0.246 502 L C 1.799 178.774 176.870 0.176 0.000 1.153 502 L CA -0.397 54.442 54.840 -0.002 0.000 0.956 502 L CB -0.048 41.979 42.059 -0.054 0.000 1.270 502 L HN 0.063 nan 8.230 nan 0.000 0.528 503 Y N 0.767 121.090 120.300 0.039 0.000 2.165 503 Y HA -0.210 4.354 4.550 0.024 0.000 0.286 503 Y C 2.738 178.796 175.900 0.263 0.000 1.155 503 Y CA 1.171 59.400 58.100 0.215 0.000 1.164 503 Y CB -1.298 37.178 38.460 0.027 0.000 0.978 503 Y HN 0.153 nan 8.280 nan 0.000 0.513 504 T N 0.752 115.457 114.554 0.252 0.000 2.737 504 T HA -0.164 4.202 4.350 0.026 0.000 0.265 504 T C 2.090 176.841 174.700 0.085 0.000 1.038 504 T CA 1.246 63.432 62.100 0.144 0.000 1.144 504 T CB -0.751 68.132 68.868 0.026 0.000 0.866 504 T HN 0.176 nan 8.240 nan 0.000 0.434 505 L N 1.283 122.525 121.223 0.032 0.000 2.013 505 L HA -0.033 4.322 4.340 0.026 0.000 0.212 505 L C 2.145 179.048 176.870 0.056 0.000 1.073 505 L CA 1.583 56.417 54.840 -0.010 0.000 0.753 505 L CB -0.795 41.202 42.059 -0.104 0.000 0.890 505 L HN 0.285 nan 8.230 nan 0.000 0.432 506 I N -0.569 120.035 120.570 0.057 0.000 2.226 506 I HA -0.297 3.888 4.170 0.026 0.000 0.245 506 I C 2.558 178.681 176.117 0.009 0.000 1.100 506 I CA 1.696 63.070 61.300 0.124 0.000 1.374 506 I CB -0.355 37.722 38.000 0.128 0.000 1.057 506 I HN 0.458 nan 8.210 nan 0.000 0.413 507 E N 1.452 121.675 120.200 0.040 0.000 2.028 507 E HA -0.239 4.127 4.350 0.026 0.000 0.191 507 E C 2.155 178.677 176.600 -0.130 0.000 0.988 507 E CA 1.271 57.642 56.400 -0.047 0.000 0.799 507 E CB 0.095 29.937 29.700 0.237 0.000 0.755 507 E HN 0.360 nan 8.360 nan 0.000 0.447 508 K N -0.329 120.027 120.400 -0.073 0.000 2.147 508 K HA -0.098 4.237 4.320 0.026 0.000 0.205 508 K C 2.165 178.724 176.600 -0.068 0.000 1.049 508 K CA 1.619 57.839 56.287 -0.112 0.000 0.936 508 K CB -0.075 32.373 32.500 -0.087 0.000 0.722 508 K HN 0.142 nan 8.250 nan 0.000 0.446 509 T N 1.425 115.987 114.554 0.015 0.000 2.812 509 T HA -0.044 4.321 4.350 0.026 0.000 0.264 509 T C 1.781 176.432 174.700 -0.081 0.000 1.042 509 T CA 1.061 63.184 62.100 0.039 0.000 1.140 509 T CB -0.044 68.939 68.868 0.191 0.000 0.870 509 T HN 0.179 nan 8.240 nan 0.000 0.445 510 M N 0.874 120.399 119.600 -0.126 0.000 2.374 510 M HA -0.041 4.455 4.480 0.026 0.000 0.264 510 M C 2.219 178.473 176.300 -0.076 0.000 1.067 510 M CA 1.265 56.468 55.300 -0.163 0.000 1.103 510 M CB -0.432 32.059 32.600 -0.181 0.000 1.402 510 M HN 0.243 nan 8.290 nan 0.000 0.444 511 Q N 0.797 120.486 119.800 -0.185 0.000 2.435 511 Q HA -0.098 4.257 4.340 0.026 0.000 0.207 511 Q C 0.565 176.234 176.000 -0.551 0.000 0.956 511 Q CA 0.975 56.565 55.803 -0.354 0.000 0.917 511 Q CB 0.054 28.502 28.738 -0.483 0.000 0.997 511 Q HN 0.658 nan 8.270 nan 0.000 0.497 512 N N -2.296 116.264 118.700 -0.232 0.000 2.240 512 N HA 0.100 4.855 4.740 0.026 0.000 0.240 512 N C -0.904 174.716 175.510 0.184 0.000 1.277 512 N CA -0.130 52.861 53.050 -0.099 0.000 0.873 512 N CB 0.638 39.075 38.487 -0.082 0.000 1.222 512 N HN -0.201 nan 8.380 nan 0.000 0.507 513 V N 0.859 120.863 119.914 0.149 0.000 2.435 513 V HA 0.374 4.510 4.120 0.026 0.000 0.290 513 V C 0.026 176.195 176.094 0.126 0.000 1.030 513 V CA -0.758 61.585 62.300 0.072 0.000 0.881 513 V CB 1.711 33.467 31.823 -0.112 0.000 0.983 513 V HN 0.125 nan 8.190 nan 0.000 0.445 514 K N 2.617 123.026 120.400 0.014 0.000 2.110 514 K HA 0.373 4.709 4.320 0.026 0.000 0.263 514 K C -0.115 176.469 176.600 -0.026 0.000 0.975 514 K CA -0.753 55.489 56.287 -0.075 0.000 0.895 514 K CB 0.798 33.173 32.500 -0.208 0.000 1.060 514 K HN 0.709 nan 8.250 nan 0.000 0.448 515 H N 3.685 122.715 119.070 -0.067 0.000 2.886 515 H HA 0.020 4.591 4.556 0.025 0.000 0.329 515 H C -1.917 173.359 175.328 -0.088 0.000 1.044 515 H CA -1.375 54.668 56.048 -0.008 0.000 1.456 515 H CB 1.223 30.999 29.762 0.023 0.000 1.464 515 H HN 0.364 nan 8.280 nan 0.000 0.573 516 P HA -0.125 nan 4.420 nan 0.000 0.218 516 P C 1.327 178.592 177.300 -0.058 0.000 1.149 516 P CA 0.632 63.580 63.100 -0.254 0.000 0.817 516 P CB 0.552 31.963 31.700 -0.481 0.000 0.785 517 V N -1.627 118.384 119.914 0.162 0.000 2.521 517 V HA -0.054 4.082 4.120 0.026 0.000 0.239 517 V C 2.410 178.585 176.094 0.136 0.000 1.053 517 V CA 1.927 64.326 62.300 0.166 0.000 1.073 517 V CB -1.443 30.516 31.823 0.227 0.000 0.746 517 V HN 0.062 nan 8.190 nan 0.000 0.476 518 T N -0.635 114.047 114.554 0.214 0.000 2.812 518 T HA 0.073 4.439 4.350 0.026 0.000 0.264 518 T C 1.552 176.228 174.700 -0.040 0.000 1.042 518 T CA 1.841 63.903 62.100 -0.063 0.000 1.140 518 T CB -0.231 68.402 68.868 -0.392 0.000 0.870 518 T HN 0.833 nan 8.240 nan 0.000 0.445 519 G N 0.509 109.305 108.800 -0.006 0.000 2.217 519 G HA2 -0.202 3.774 3.960 0.026 0.000 0.246 519 G HA3 -0.202 3.774 3.960 0.026 0.000 0.246 519 G C 0.125 174.915 174.900 -0.183 0.000 0.990 519 G CA 0.018 45.062 45.100 -0.093 0.000 0.627 519 G HN 0.524 nan 8.290 nan 0.000 0.522 520 Q N -0.225 119.494 119.800 -0.134 0.000 2.312 520 Q HA 0.563 4.918 4.340 0.026 0.000 0.236 520 Q C 0.237 176.148 176.000 -0.148 0.000 0.965 520 Q CA -0.505 55.201 55.803 -0.163 0.000 0.894 520 Q CB 0.748 29.449 28.738 -0.063 0.000 1.225 520 Q HN 0.313 nan 8.270 nan 0.000 0.478 521 F N 0.722 120.685 119.950 0.021 0.000 2.553 521 F HA -0.074 4.470 4.527 0.030 0.000 0.356 521 F C 1.839 177.646 175.800 0.013 0.000 1.142 521 F CA -0.140 57.869 58.000 0.014 0.000 1.322 521 F CB 0.305 39.323 39.000 0.029 0.000 1.126 521 F HN 0.432 nan 8.300 nan 0.000 0.599 522 L N 1.741 123.060 121.223 0.159 0.000 2.187 522 L HA -0.227 4.129 4.340 0.026 0.000 0.213 522 L C 0.605 177.497 176.870 0.038 0.000 1.100 522 L CA 0.888 55.730 54.840 0.003 0.000 0.765 522 L CB -0.473 41.393 42.059 -0.322 0.000 0.904 522 L HN 0.530 nan 8.230 nan 0.000 0.437 523 Y N 0.635 120.913 120.300 -0.036 0.000 2.531 523 Y HA 0.077 4.644 4.550 0.028 0.000 0.347 523 Y C 0.957 176.864 175.900 0.012 0.000 1.024 523 Y CA 0.090 58.146 58.100 -0.073 0.000 1.306 523 Y CB 0.601 38.995 38.460 -0.110 0.000 1.149 523 Y HN -0.006 nan 8.280 nan 0.000 0.527 524 Q N 2.650 122.239 119.800 -0.352 0.000 2.089 524 Q HA 0.141 4.497 4.340 0.026 0.000 0.227 524 Q C -1.375 174.452 176.000 -0.289 0.000 0.774 524 Q CA 0.138 55.810 55.803 -0.218 0.000 0.960 524 Q CB 0.755 29.450 28.738 -0.072 0.000 1.179 524 Q HN 0.692 nan 8.270 nan 0.000 0.460 525 D N -0.707 119.435 120.400 -0.430 0.000 2.469 525 D HA 0.151 4.806 4.640 0.026 0.000 0.251 525 D C 0.479 176.650 176.300 -0.216 0.000 1.173 525 D CA 0.021 53.888 54.000 -0.222 0.000 0.882 525 D CB 1.274 42.044 40.800 -0.049 0.000 1.129 525 D HN 0.039 nan 8.370 nan 0.000 0.549 526 S N 2.971 118.599 115.700 -0.120 0.000 2.493 526 S HA -0.140 4.346 4.470 0.026 0.000 0.243 526 S C 1.151 175.841 174.600 0.150 0.000 0.991 526 S CA 0.562 58.827 58.200 0.108 0.000 0.957 526 S CB -0.038 63.237 63.200 0.125 0.000 0.756 526 S HN 0.528 nan 8.310 nan 0.000 0.521 527 N N 0.385 119.128 118.700 0.072 0.000 2.200 527 N HA 0.109 4.865 4.740 0.026 0.000 0.224 527 N C 1.174 176.633 175.510 -0.085 0.000 1.179 527 N CA 0.177 53.215 53.050 -0.020 0.000 0.877 527 N CB 0.155 38.633 38.487 -0.014 0.000 1.072 527 N HN 0.762 nan 8.380 nan 0.000 0.519 528 W N 0.911 122.165 121.300 -0.077 0.000 2.331 528 W HA -0.135 4.539 4.660 0.022 0.000 0.291 528 W C 1.186 177.626 176.519 -0.130 0.000 1.214 528 W CA 1.022 58.311 57.345 -0.094 0.000 1.228 528 W CB -1.035 28.372 29.460 -0.089 0.000 1.135 528 W HN -0.019 nan 8.180 nan 0.000 0.537 529 A N 1.549 123.475 122.820 -1.490 0.000 2.015 529 A HA -0.173 4.162 4.320 0.026 0.000 0.219 529 A C 2.240 179.434 177.584 -0.650 0.000 1.163 529 A CA 2.434 53.524 52.037 -1.579 0.000 0.646 529 A CB -1.057 17.047 19.000 -1.494 0.000 0.806 529 A HN 0.438 nan 8.150 nan 0.000 0.448 530 S N -0.852 114.629 115.700 -0.365 0.000 2.528 530 S HA 0.077 4.563 4.470 0.026 0.000 0.219 530 S C 1.203 175.747 174.600 -0.094 0.000 0.985 530 S CA 0.668 58.776 58.200 -0.154 0.000 0.914 530 S CB -0.108 63.036 63.200 -0.092 0.000 0.776 530 S HN 0.586 nan 8.310 nan 0.000 0.526 531 K N 0.962 121.293 120.400 -0.115 0.000 2.373 531 K HA 0.343 4.679 4.320 0.026 0.000 0.202 531 K C -0.574 176.003 176.600 -0.038 0.000 1.025 531 K CA -0.146 56.114 56.287 -0.045 0.000 1.115 531 K CB 0.888 33.380 32.500 -0.014 0.000 0.858 531 K HN 0.165 nan 8.250 nan 0.000 0.525 532 V N 3.115 122.974 119.914 -0.092 0.000 2.508 532 V HA 0.004 4.139 4.120 0.026 0.000 0.281 532 V C 0.376 176.458 176.094 -0.020 0.000 1.041 532 V CA 0.019 62.276 62.300 -0.072 0.000 1.016 532 V CB 0.721 32.412 31.823 -0.220 0.000 0.984 532 V HN 0.212 nan 8.190 nan 0.000 0.478 533 E N 4.720 124.912 120.200 -0.013 0.000 2.313 533 E HA 0.297 4.663 4.350 0.026 0.000 0.272 533 E C -0.294 176.294 176.600 -0.021 0.000 1.038 533 E CA -0.713 55.688 56.400 0.000 0.000 0.863 533 E CB 1.436 31.130 29.700 -0.010 0.000 1.060 533 E HN 0.687 nan 8.360 nan 0.000 0.402 534 K N 1.677 122.078 120.400 0.001 0.000 2.126 534 K HA 0.277 4.613 4.320 0.026 0.000 0.257 534 K C -0.092 176.493 176.600 -0.025 0.000 1.007 534 K CA -0.643 55.604 56.287 -0.066 0.000 0.928 534 K CB 0.607 33.145 32.500 0.064 0.000 1.013 534 K HN 0.354 nan 8.250 nan 0.000 0.473 535 L N 2.588 123.791 121.223 -0.034 0.000 2.559 535 L HA -0.017 4.339 4.340 0.026 0.000 0.282 535 L C 0.692 177.617 176.870 0.092 0.000 1.232 535 L CA 0.234 55.121 54.840 0.079 0.000 0.885 535 L CB 0.112 42.279 42.059 0.180 0.000 1.131 535 L HN 0.922 nan 8.230 nan 0.000 0.498 536 T N -0.096 114.413 114.554 -0.075 0.000 2.937 536 T HA 0.298 4.664 4.350 0.026 0.000 0.283 536 T C 0.850 175.171 174.700 -0.632 0.000 1.012 536 T CA -0.927 60.971 62.100 -0.337 0.000 0.997 536 T CB 1.530 70.265 68.868 -0.221 0.000 1.136 536 T HN 0.528 nan 8.240 nan 0.000 0.551 537 L N 0.744 121.446 121.223 -0.867 0.000 2.191 537 L HA -0.035 4.321 4.340 0.026 0.000 0.212 537 L C 1.911 178.583 176.870 -0.329 0.000 1.103 537 L CA 1.685 55.977 54.840 -0.914 0.000 0.769 537 L CB -0.409 41.241 42.059 -0.682 0.000 0.908 537 L HN 0.862 nan 8.230 nan 0.000 0.438 538 D N -1.515 118.752 120.400 -0.221 0.000 2.363 538 D HA -0.109 4.547 4.640 0.026 0.000 0.226 538 D C 0.324 176.621 176.300 -0.006 0.000 1.020 538 D CA 0.057 54.008 54.000 -0.083 0.000 0.892 538 D CB -0.586 40.139 40.800 -0.126 0.000 0.900 538 D HN 0.246 nan 8.370 nan 0.000 0.531 539 N N 0.484 119.187 118.700 0.006 0.000 2.408 539 N HA 0.297 5.053 4.740 0.026 0.000 0.280 539 N C 0.643 176.272 175.510 0.198 0.000 1.002 539 N CA -0.219 52.890 53.050 0.098 0.000 0.907 539 N CB 1.872 40.414 38.487 0.092 0.000 1.161 539 N HN -0.026 nan 8.380 nan 0.000 0.488 540 A N 3.280 126.232 122.820 0.221 0.000 2.125 540 A HA -0.049 4.287 4.320 0.026 0.000 0.219 540 A C 1.868 179.685 177.584 0.388 0.000 1.156 540 A CA 1.692 53.880 52.037 0.253 0.000 0.671 540 A CB -0.359 18.792 19.000 0.252 0.000 0.794 540 A HN 0.740 nan 8.150 nan 0.000 0.459 541 A N -1.366 121.716 122.820 0.436 0.000 2.066 541 A HA 0.089 4.425 4.320 0.026 0.000 0.218 541 A C 1.827 179.653 177.584 0.404 0.000 1.157 541 A CA 1.134 53.467 52.037 0.493 0.000 0.670 541 A CB -0.593 18.619 19.000 0.353 0.000 0.804 541 A HN 0.585 nan 8.150 nan 0.000 0.453 542 F N 1.630 121.687 119.950 0.178 0.000 2.051 542 F HA -0.072 4.471 4.527 0.026 0.000 0.296 542 F C -0.695 175.204 175.800 0.165 0.000 1.122 542 F CA 2.100 60.154 58.000 0.091 0.000 1.201 542 F CB -1.028 37.946 39.000 -0.044 0.000 0.978 542 F HN 0.163 nan 8.300 nan 0.000 0.472 543 P HA -0.174 nan 4.420 nan 0.000 0.216 543 P C 1.690 179.077 177.300 0.145 0.000 1.150 543 P CA 1.657 64.868 63.100 0.184 0.000 0.837 543 P CB -0.321 31.442 31.700 0.106 0.000 0.786 544 F N -0.702 119.294 119.950 0.078 0.000 2.043 544 F HA -0.197 4.346 4.527 0.026 0.000 0.297 544 F C 2.286 178.175 175.800 0.147 0.000 1.121 544 F CA 1.408 59.475 58.000 0.111 0.000 1.199 544 F CB -1.352 37.683 39.000 0.058 0.000 0.968 544 F HN -0.140 nan 8.300 nan 0.000 0.478 545 L N 0.143 121.541 121.223 0.292 0.000 1.988 545 L HA -0.024 4.331 4.340 0.026 0.000 0.207 545 L C 2.229 179.189 176.870 0.149 0.000 1.071 545 L CA 2.254 57.206 54.840 0.186 0.000 0.744 545 L CB -1.264 40.821 42.059 0.042 0.000 0.893 545 L HN 0.044 nan 8.230 nan 0.000 0.433 546 A N -2.466 120.326 122.820 -0.048 0.000 2.072 546 A HA -0.112 4.224 4.320 0.026 0.000 0.216 546 A C 2.071 179.797 177.584 0.236 0.000 1.156 546 A CA 1.198 53.241 52.037 0.010 0.000 0.701 546 A CB -0.700 17.998 19.000 -0.504 0.000 0.816 546 A HN 0.662 nan 8.150 nan 0.000 0.458 547 Y N -0.528 119.840 120.300 0.112 0.000 2.500 547 Y HA 0.148 4.713 4.550 0.026 0.000 0.284 547 Y C 2.185 178.111 175.900 0.043 0.000 1.118 547 Y CA 1.392 59.543 58.100 0.086 0.000 1.241 547 Y CB 0.371 38.875 38.460 0.073 0.000 1.171 547 Y HN 0.204 nan 8.280 nan 0.000 0.540 548 S N -0.761 114.984 115.700 0.075 0.000 2.492 548 S HA 0.244 4.730 4.470 0.026 0.000 0.218 548 S C 1.254 175.959 174.600 0.176 0.000 1.016 548 S CA 0.563 58.786 58.200 0.039 0.000 0.916 548 S CB 0.303 63.566 63.200 0.105 0.000 0.791 548 S HN 0.766 nan 8.310 nan 0.000 0.513 549 G N 1.788 110.717 108.800 0.215 0.000 2.171 549 G HA2 -0.226 3.750 3.960 0.026 0.000 0.238 549 G HA3 -0.226 3.750 3.960 0.026 0.000 0.238 549 G C -0.161 174.940 174.900 0.336 0.000 1.039 549 G CA -0.142 45.121 45.100 0.271 0.000 0.759 549 G HN 0.477 nan 8.290 nan 0.000 0.501 550 I N 0.950 121.732 120.570 0.354 0.000 2.362 550 I HA 0.321 4.507 4.170 0.026 0.000 0.289 550 I C -2.076 174.252 176.117 0.352 0.000 0.994 550 I CA -2.703 58.823 61.300 0.376 0.000 1.158 550 I CB 2.017 40.303 38.000 0.477 0.000 1.315 550 I HN -0.158 nan 8.210 nan 0.000 0.451 551 P HA 0.126 nan 4.420 nan 0.000 0.266 551 P C -0.887 176.537 177.300 0.206 0.000 1.195 551 P CA 0.048 63.288 63.100 0.233 0.000 0.768 551 P CB 0.712 32.539 31.700 0.212 0.000 0.838 552 A N 2.538 125.449 122.820 0.153 0.000 2.556 552 A HA 0.743 5.078 4.320 0.026 0.000 0.294 552 A C -1.410 176.229 177.584 0.092 0.000 1.091 552 A CA -0.720 51.419 52.037 0.169 0.000 0.704 552 A CB 1.867 21.044 19.000 0.294 0.000 1.300 552 A HN 0.424 nan 8.150 nan 0.000 0.406 553 V N 0.544 120.510 119.914 0.087 0.000 2.733 553 V HA 0.794 4.930 4.120 0.026 0.000 0.306 553 V C -0.755 175.433 176.094 0.156 0.000 1.084 553 V CA 0.069 62.438 62.300 0.115 0.000 0.905 553 V CB 1.949 33.829 31.823 0.095 0.000 1.010 553 V HN 1.379 nan 8.190 nan 0.000 0.424 554 S N 5.823 121.610 115.700 0.146 0.000 2.536 554 S HA 0.988 5.473 4.470 0.026 0.000 0.298 554 S C -1.073 173.591 174.600 0.107 0.000 1.083 554 S CA -0.412 57.827 58.200 0.065 0.000 0.995 554 S CB 1.439 64.645 63.200 0.010 0.000 1.058 554 S HN 1.306 nan 8.310 nan 0.000 0.488 555 F N 0.903 120.822 119.950 -0.052 0.000 2.686 555 F HA 0.854 5.397 4.527 0.027 0.000 0.311 555 F C -0.774 174.897 175.800 -0.215 0.000 1.128 555 F CA -1.197 56.664 58.000 -0.232 0.000 0.946 555 F CB 0.523 39.411 39.000 -0.187 0.000 1.336 555 F HN 0.844 nan 8.300 nan 0.000 0.457 556 C N -0.305 118.859 119.300 -0.227 0.000 3.292 556 C HA 0.758 5.234 4.460 0.026 0.000 0.338 556 C C -1.730 173.163 174.990 -0.163 0.000 1.323 556 C CA -1.285 57.666 59.018 -0.112 0.000 1.232 556 C CB 0.811 28.479 27.740 -0.120 0.000 1.517 556 C HN 0.890 nan 8.230 nan 0.000 0.470 557 F N 2.193 122.218 119.950 0.123 0.000 2.404 557 F HA 0.706 5.249 4.527 0.026 0.000 0.345 557 F C 1.179 177.004 175.800 0.042 0.000 1.110 557 F CA 0.237 58.307 58.000 0.117 0.000 1.130 557 F CB 1.271 40.313 39.000 0.070 0.000 1.129 557 F HN 1.222 nan 8.300 nan 0.000 0.500 558 C N 0.612 120.024 119.300 0.185 0.000 3.266 558 C HA 0.804 5.280 4.460 0.026 0.000 0.369 558 C C -0.789 174.266 174.990 0.108 0.000 1.580 558 C CA -0.929 58.158 59.018 0.115 0.000 1.165 558 C CB 1.362 29.130 27.740 0.046 0.000 1.835 558 C HN 0.698 nan 8.230 nan 0.000 0.433 559 E N 0.045 120.293 120.200 0.079 0.000 2.450 559 E HA 0.399 4.765 4.350 0.026 0.000 0.248 559 E C 0.040 176.651 176.600 0.019 0.000 0.930 559 E CA -0.512 55.921 56.400 0.056 0.000 0.854 559 E CB 0.596 30.327 29.700 0.052 0.000 1.355 559 E HN 0.647 nan 8.360 nan 0.000 0.402 560 D N -0.148 120.253 120.400 0.002 0.000 2.352 560 D HA 0.024 4.680 4.640 0.026 0.000 0.232 560 D C -0.344 175.925 176.300 -0.051 0.000 1.055 560 D CA 0.712 54.697 54.000 -0.024 0.000 0.891 560 D CB 0.246 41.032 40.800 -0.023 0.000 0.897 560 D HN 0.076 nan 8.370 nan 0.000 0.529 561 T N 1.118 115.645 114.554 -0.046 0.000 2.863 561 T HA 0.164 4.529 4.350 0.026 0.000 0.285 561 T C -0.401 174.258 174.700 -0.069 0.000 1.009 561 T CA -0.829 61.217 62.100 -0.090 0.000 0.989 561 T CB 2.351 71.167 68.868 -0.087 0.000 1.004 561 T HN -0.159 nan 8.240 nan 0.000 0.455 562 D N 1.375 121.697 120.400 -0.129 0.000 2.399 562 D HA 0.047 4.703 4.640 0.026 0.000 0.241 562 D C -0.273 176.040 176.300 0.021 0.000 1.133 562 D CA 0.031 54.005 54.000 -0.044 0.000 0.890 562 D CB 0.390 41.153 40.800 -0.062 0.000 1.201 562 D HN 0.428 nan 8.370 nan 0.000 0.432 563 Y N 3.426 123.726 120.300 -0.000 0.000 2.650 563 Y HA 0.068 4.634 4.550 0.026 0.000 0.342 563 Y C -1.201 174.723 175.900 0.040 0.000 1.110 563 Y CA -1.710 56.409 58.100 0.031 0.000 1.438 563 Y CB 0.762 39.267 38.460 0.075 0.000 1.181 563 Y HN 0.257 nan 8.280 nan 0.000 0.526 564 P HA -0.209 nan 4.420 nan 0.000 0.220 564 P C 0.425 177.499 177.300 -0.377 0.000 1.148 564 P CA 1.707 64.636 63.100 -0.285 0.000 0.803 564 P CB 0.018 31.323 31.700 -0.657 0.000 0.782 565 Y N -0.594 119.582 120.300 -0.206 0.000 2.490 565 Y HA 0.180 4.745 4.550 0.026 0.000 0.281 565 Y C 1.496 177.490 175.900 0.156 0.000 1.174 565 Y CA -0.585 57.499 58.100 -0.026 0.000 1.295 565 Y CB -0.635 37.796 38.460 -0.049 0.000 1.062 565 Y HN -0.186 nan 8.280 nan 0.000 0.522 566 L N 0.558 121.970 121.223 0.316 0.000 2.499 566 L HA 0.110 4.466 4.340 0.026 0.000 0.273 566 L C 1.403 178.425 176.870 0.253 0.000 1.195 566 L CA 0.908 55.934 54.840 0.311 0.000 0.882 566 L CB 0.114 42.333 42.059 0.267 0.000 1.133 566 L HN 0.555 nan 8.230 nan 0.000 0.483 567 G N 1.452 110.433 108.800 0.301 0.000 2.143 567 G HA2 -0.268 3.707 3.960 0.026 0.000 0.248 567 G HA3 -0.268 3.707 3.960 0.026 0.000 0.248 567 G C 0.218 175.403 174.900 0.476 0.000 0.991 567 G CA 0.380 45.692 45.100 0.353 0.000 0.689 567 G HN 0.839 nan 8.290 nan 0.000 0.522 568 T N -4.250 110.591 114.554 0.478 0.000 2.883 568 T HA 0.678 5.043 4.350 0.026 0.000 0.284 568 T C 1.415 176.384 174.700 0.449 0.000 1.041 568 T CA 0.820 63.246 62.100 0.543 0.000 1.007 568 T CB 1.421 70.516 68.868 0.378 0.000 1.220 568 T HN 0.756 nan 8.240 nan 0.000 0.552 569 T N -1.289 113.466 114.554 0.336 0.000 3.129 569 T HA 0.186 4.552 4.350 0.026 0.000 0.251 569 T C 1.543 176.303 174.700 0.100 0.000 1.117 569 T CA 0.096 62.268 62.100 0.120 0.000 1.034 569 T CB -0.388 68.504 68.868 0.039 0.000 0.968 569 T HN 0.516 nan 8.240 nan 0.000 0.526 570 M N 1.371 121.060 119.600 0.147 0.000 2.495 570 M HA 0.159 4.654 4.480 0.026 0.000 0.237 570 M C 0.512 176.815 176.300 0.004 0.000 1.131 570 M CA 0.235 55.549 55.300 0.023 0.000 1.032 570 M CB -0.048 32.552 32.600 0.001 0.000 1.513 570 M HN 0.056 nan 8.290 nan 0.000 0.488 571 D N 2.865 123.367 120.400 0.170 0.000 2.600 571 D HA 0.033 4.688 4.640 0.026 0.000 0.226 571 D C 0.015 176.401 176.300 0.143 0.000 1.119 571 D CA 0.252 54.391 54.000 0.231 0.000 1.051 571 D CB 0.169 41.146 40.800 0.295 0.000 1.106 571 D HN 0.221 nan 8.370 nan 0.000 0.491 572 T N -1.396 113.205 114.554 0.078 0.000 2.950 572 T HA 0.172 4.537 4.350 0.026 0.000 0.288 572 T C 1.156 175.919 174.700 0.106 0.000 1.035 572 T CA -0.859 61.290 62.100 0.082 0.000 1.028 572 T CB 0.991 69.883 68.868 0.040 0.000 1.109 572 T HN 0.194 nan 8.240 nan 0.000 0.514 573 Y N 1.695 122.008 120.300 0.023 0.000 2.128 573 Y HA -0.099 4.466 4.550 0.026 0.000 0.284 573 Y C 2.332 178.241 175.900 0.016 0.000 1.154 573 Y CA 1.777 59.891 58.100 0.022 0.000 1.149 573 Y CB -0.338 38.132 38.460 0.016 0.000 0.976 573 Y HN 0.692 nan 8.280 nan 0.000 0.505 574 K N -0.356 120.050 120.400 0.011 0.000 2.057 574 K HA -0.229 4.106 4.320 0.026 0.000 0.207 574 K C 2.030 178.541 176.600 -0.149 0.000 1.049 574 K CA 1.615 57.848 56.287 -0.090 0.000 0.931 574 K CB -0.205 32.308 32.500 0.022 0.000 0.714 574 K HN 0.236 nan 8.250 nan 0.000 0.440 575 E N 1.357 121.487 120.200 -0.117 0.000 2.047 575 E HA -0.164 4.202 4.350 0.026 0.000 0.191 575 E C 1.815 178.384 176.600 -0.053 0.000 0.987 575 E CA 0.782 57.096 56.400 -0.144 0.000 0.799 575 E CB -0.231 29.303 29.700 -0.276 0.000 0.752 575 E HN 0.090 nan 8.360 nan 0.000 0.449 576 L N 0.271 121.477 121.223 -0.028 0.000 1.989 576 L HA -0.102 4.254 4.340 0.026 0.000 0.211 576 L C 2.267 179.060 176.870 -0.128 0.000 1.071 576 L CA 1.674 56.511 54.840 -0.003 0.000 0.749 576 L CB -0.774 41.255 42.059 -0.050 0.000 0.890 576 L HN 0.327 nan 8.230 nan 0.000 0.431 577 I N -0.574 119.786 120.570 -0.351 0.000 2.756 577 I HA -0.214 3.971 4.170 0.026 0.000 0.262 577 I C 2.358 178.375 176.117 -0.165 0.000 1.225 577 I CA 1.279 62.371 61.300 -0.347 0.000 1.472 577 I CB -0.378 37.238 38.000 -0.640 0.000 1.094 577 I HN 0.560 nan 8.210 nan 0.000 0.454 578 E N 0.354 120.482 120.200 -0.120 0.000 2.086 578 E HA -0.149 4.216 4.350 0.026 0.000 0.190 578 E C 2.198 178.796 176.600 -0.003 0.000 0.975 578 E CA 0.519 56.887 56.400 -0.053 0.000 0.813 578 E CB -0.045 29.626 29.700 -0.049 0.000 0.768 578 E HN 0.463 nan 8.360 nan 0.000 0.457 579 R N -0.008 120.515 120.500 0.038 0.000 2.193 579 R HA 0.163 4.518 4.340 0.026 0.000 0.213 579 R C 0.537 176.876 176.300 0.066 0.000 1.055 579 R CA 0.609 56.761 56.100 0.086 0.000 0.995 579 R CB 0.254 30.665 30.300 0.186 0.000 0.893 579 R HN 0.192 nan 8.270 nan 0.000 0.459 580 I N 1.019 121.606 120.570 0.029 0.000 2.714 580 I HA 0.208 4.394 4.170 0.026 0.000 0.276 580 I C -2.208 173.889 176.117 -0.033 0.000 1.196 580 I CA -2.014 59.287 61.300 0.002 0.000 1.068 580 I CB 2.199 40.195 38.000 -0.006 0.000 1.291 580 I HN -0.247 nan 8.210 nan 0.000 0.530 581 P HA -0.081 nan 4.420 nan 0.000 0.223 581 P C 0.538 177.821 177.300 -0.029 0.000 1.151 581 P CA 1.085 64.166 63.100 -0.031 0.000 0.787 581 P CB 0.196 31.886 31.700 -0.017 0.000 0.788 582 E N -0.874 119.305 120.200 -0.035 0.000 2.368 582 E HA 0.039 4.405 4.350 0.026 0.000 0.188 582 E C 1.383 177.942 176.600 -0.068 0.000 1.061 582 E CA -0.244 56.127 56.400 -0.048 0.000 0.933 582 E CB -0.940 28.726 29.700 -0.058 0.000 1.091 582 E HN 0.028 nan 8.360 nan 0.000 0.458 583 L N 1.329 122.519 121.223 -0.055 0.000 2.010 583 L HA -0.345 4.010 4.340 0.026 0.000 0.219 583 L C 1.754 178.593 176.870 -0.051 0.000 1.077 583 L CA 2.143 56.948 54.840 -0.058 0.000 0.773 583 L CB -0.800 41.240 42.059 -0.033 0.000 0.892 583 L HN 0.220 nan 8.230 nan 0.000 0.436 584 N N -0.638 118.070 118.700 0.013 0.000 2.069 584 N HA -0.258 4.498 4.740 0.026 0.000 0.191 584 N C 1.960 177.470 175.510 0.000 0.000 1.031 584 N CA 1.872 54.968 53.050 0.077 0.000 0.852 584 N CB -0.184 38.371 38.487 0.113 0.000 1.018 584 N HN 0.404 nan 8.380 nan 0.000 0.423 585 K N -0.474 119.889 120.400 -0.061 0.000 2.057 585 K HA -0.049 4.287 4.320 0.026 0.000 0.207 585 K C 1.695 178.136 176.600 -0.266 0.000 1.049 585 K CA 1.071 57.283 56.287 -0.126 0.000 0.931 585 K CB 0.017 32.447 32.500 -0.115 0.000 0.714 585 K HN 0.022 nan 8.250 nan 0.000 0.440 586 V N 0.885 120.610 119.914 -0.316 0.000 2.307 586 V HA -0.199 3.936 4.120 0.026 0.000 0.245 586 V C 2.322 178.112 176.094 -0.506 0.000 1.045 586 V CA 1.903 63.889 62.300 -0.524 0.000 1.024 586 V CB -0.682 30.875 31.823 -0.444 0.000 0.651 586 V HN 0.416 nan 8.190 nan 0.000 0.449 587 A N 0.115 122.694 122.820 -0.401 0.000 1.940 587 A HA -0.268 4.068 4.320 0.026 0.000 0.219 587 A C 2.437 179.514 177.584 -0.844 0.000 1.176 587 A CA 2.076 53.789 52.037 -0.541 0.000 0.631 587 A CB -0.618 18.059 19.000 -0.538 0.000 0.814 587 A HN 0.469 nan 8.150 nan 0.000 0.446 588 R N -0.377 119.697 120.500 -0.709 0.000 2.081 588 R HA -0.116 4.239 4.340 0.026 0.000 0.235 588 R C 2.271 178.394 176.300 -0.295 0.000 1.131 588 R CA 1.456 57.278 56.100 -0.463 0.000 0.960 588 R CB -0.389 29.868 30.300 -0.072 0.000 0.856 588 R HN 0.450 nan 8.270 nan 0.000 0.436 589 A N 0.637 123.266 122.820 -0.318 0.000 1.930 589 A HA -0.043 4.292 4.320 0.026 0.000 0.217 589 A C 2.317 179.877 177.584 -0.039 0.000 1.175 589 A CA 1.473 53.373 52.037 -0.228 0.000 0.627 589 A CB -0.576 18.179 19.000 -0.409 0.000 0.815 589 A HN 0.518 nan 8.150 nan 0.000 0.443 590 A N -0.122 122.714 122.820 0.026 0.000 1.933 590 A HA 0.164 4.499 4.320 0.026 0.000 0.218 590 A C 2.426 180.104 177.584 0.156 0.000 1.175 590 A CA 1.959 54.199 52.037 0.339 0.000 0.628 590 A CB -0.827 18.361 19.000 0.314 0.000 0.814 590 A HN 1.014 nan 8.150 nan 0.000 0.444 591 A N -0.720 122.066 122.820 -0.057 0.000 1.968 591 A HA -0.080 4.255 4.320 0.026 0.000 0.217 591 A C 1.965 179.537 177.584 -0.020 0.000 1.169 591 A CA 1.553 53.588 52.037 -0.004 0.000 0.638 591 A CB -0.373 18.623 19.000 -0.006 0.000 0.812 591 A HN 0.643 nan 8.150 nan 0.000 0.446 592 E N -0.125 120.025 120.200 -0.083 0.000 2.072 592 E HA -0.120 4.245 4.350 0.026 0.000 0.190 592 E C 2.063 178.537 176.600 -0.209 0.000 0.982 592 E CA 1.369 57.699 56.400 -0.117 0.000 0.803 592 E CB -0.147 29.482 29.700 -0.117 0.000 0.755 592 E HN 0.478 nan 8.360 nan 0.000 0.453 593 V N 0.109 119.813 119.914 -0.350 0.000 2.261 593 V HA -0.190 3.946 4.120 0.026 0.000 0.246 593 V C 2.219 177.737 176.094 -0.960 0.000 1.047 593 V CA 2.100 63.947 62.300 -0.756 0.000 1.015 593 V CB -0.763 30.436 31.823 -1.041 0.000 0.642 593 V HN 0.308 nan 8.190 nan 0.000 0.446 594 A N 0.830 123.339 122.820 -0.519 0.000 1.883 594 A HA -0.033 4.303 4.320 0.026 0.000 0.217 594 A C 2.465 180.104 177.584 0.092 0.000 1.186 594 A CA 2.347 54.319 52.037 -0.109 0.000 0.624 594 A CB -1.727 17.430 19.000 0.261 0.000 0.822 594 A HN 0.857 nan 8.150 nan 0.000 0.444 595 G N -1.117 107.762 108.800 0.132 0.000 2.421 595 G HA2 -0.244 3.731 3.960 0.026 0.000 0.216 595 G HA3 -0.244 3.731 3.960 0.026 0.000 0.216 595 G C 1.629 176.719 174.900 0.317 0.000 1.171 595 G CA 0.988 46.293 45.100 0.341 0.000 0.775 595 G HN 0.627 nan 8.290 nan 0.000 0.543 596 Q N -0.648 119.227 119.800 0.124 0.000 2.084 596 Q HA -0.087 4.269 4.340 0.026 0.000 0.202 596 Q C 2.441 178.672 176.000 0.386 0.000 0.978 596 Q CA 0.928 56.879 55.803 0.247 0.000 0.844 596 Q CB -0.296 28.543 28.738 0.168 0.000 0.898 596 Q HN 0.435 nan 8.270 nan 0.000 0.426 597 F N 0.504 120.543 119.950 0.148 0.000 2.043 597 F HA -0.253 4.290 4.527 0.026 0.000 0.297 597 F C 2.440 178.331 175.800 0.152 0.000 1.118 597 F CA 0.863 58.936 58.000 0.121 0.000 1.202 597 F CB -1.313 37.741 39.000 0.090 0.000 0.965 597 F HN -0.108 nan 8.300 nan 0.000 0.482 598 V N 0.145 120.281 119.914 0.371 0.000 2.515 598 V HA -0.262 3.874 4.120 0.026 0.000 0.250 598 V C 2.402 178.625 176.094 0.215 0.000 1.058 598 V CA 1.432 63.848 62.300 0.192 0.000 1.064 598 V CB -0.541 31.265 31.823 -0.029 0.000 0.675 598 V HN 0.259 nan 8.190 nan 0.000 0.461 599 I N -0.951 119.809 120.570 0.318 0.000 2.162 599 I HA -0.150 4.036 4.170 0.026 0.000 0.238 599 I C 2.670 179.029 176.117 0.403 0.000 1.076 599 I CA 1.174 62.689 61.300 0.359 0.000 1.353 599 I CB -0.522 37.665 38.000 0.312 0.000 1.063 599 I HN 0.153 nan 8.210 nan 0.000 0.408 600 K N 1.004 121.613 120.400 0.349 0.000 2.077 600 K HA -0.205 4.131 4.320 0.026 0.000 0.213 600 K C 2.117 178.806 176.600 0.148 0.000 1.051 600 K CA 1.712 58.052 56.287 0.088 0.000 0.929 600 K CB -0.694 31.770 32.500 -0.060 0.000 0.715 600 K HN 0.328 nan 8.250 nan 0.000 0.451 601 L N 0.560 121.909 121.223 0.210 0.000 2.131 601 L HA -0.146 4.210 4.340 0.026 0.000 0.210 601 L C 2.066 179.093 176.870 0.261 0.000 1.092 601 L CA 1.667 56.652 54.840 0.243 0.000 0.759 601 L CB -0.435 41.840 42.059 0.359 0.000 0.903 601 L HN 0.322 nan 8.230 nan 0.000 0.435 602 T N -6.385 108.350 114.554 0.302 0.000 3.092 602 T HA 0.014 4.380 4.350 0.026 0.000 0.258 602 T C 1.153 176.025 174.700 0.287 0.000 1.031 602 T CA -0.061 62.210 62.100 0.285 0.000 0.925 602 T CB 0.069 69.109 68.868 0.286 0.000 1.036 602 T HN 0.315 nan 8.240 nan 0.000 0.544 603 H N 0.843 120.033 119.070 0.200 0.000 2.393 603 H HA 0.321 4.893 4.556 0.025 0.000 0.301 603 H C -0.071 175.307 175.328 0.083 0.000 1.019 603 H CA 0.253 56.417 56.048 0.194 0.000 1.311 603 H CB 0.124 30.061 29.762 0.292 0.000 1.475 603 H HN 0.157 nan 8.280 nan 0.000 0.572 604 D N 0.785 121.206 120.400 0.035 0.000 2.449 604 D HA -0.039 4.616 4.640 0.026 0.000 0.236 604 D C 1.706 177.945 176.300 -0.103 0.000 1.149 604 D CA 0.740 54.694 54.000 -0.076 0.000 0.878 604 D CB 1.564 42.319 40.800 -0.075 0.000 1.198 604 D HN 0.312 nan 8.370 nan 0.000 0.446 605 V N -0.500 119.352 119.914 -0.103 0.000 2.548 605 V HA -0.043 4.093 4.120 0.026 0.000 0.249 605 V C 0.820 176.889 176.094 -0.042 0.000 1.055 605 V CA 0.944 63.204 62.300 -0.067 0.000 1.065 605 V CB -0.617 31.182 31.823 -0.039 0.000 0.681 605 V HN 0.342 nan 8.190 nan 0.000 0.462 606 E N 0.579 120.733 120.200 -0.076 0.000 2.349 606 E HA 0.489 4.855 4.350 0.026 0.000 0.262 606 E C -0.709 175.800 176.600 -0.152 0.000 1.088 606 E CA -0.607 55.712 56.400 -0.134 0.000 0.899 606 E CB 1.459 30.962 29.700 -0.328 0.000 1.044 606 E HN 0.341 nan 8.360 nan 0.000 0.420 607 L N 2.385 123.514 121.223 -0.157 0.000 2.331 607 L HA 0.111 4.466 4.340 0.026 0.000 0.278 607 L C 0.224 177.017 176.870 -0.128 0.000 1.106 607 L CA -0.216 54.527 54.840 -0.161 0.000 0.824 607 L CB 0.263 42.223 42.059 -0.165 0.000 1.142 607 L HN 0.445 nan 8.230 nan 0.000 0.443 608 N N 4.153 122.800 118.700 -0.089 0.000 2.906 608 N HA 0.204 4.959 4.740 0.026 0.000 0.282 608 N C -0.916 174.573 175.510 -0.034 0.000 1.293 608 N CA 0.196 53.199 53.050 -0.078 0.000 1.059 608 N CB -0.281 38.168 38.487 -0.064 0.000 1.388 608 N HN 0.378 nan 8.380 nan 0.000 0.533 609 L N 0.063 121.280 121.223 -0.009 0.000 2.280 609 L HA 0.279 4.635 4.340 0.026 0.000 0.287 609 L C -0.042 176.836 176.870 0.014 0.000 1.023 609 L CA -0.795 54.075 54.840 0.050 0.000 0.819 609 L CB 1.208 43.352 42.059 0.141 0.000 1.212 609 L HN 0.044 nan 8.230 nan 0.000 0.420 610 D N 2.725 123.085 120.400 -0.066 0.000 2.517 610 D HA 0.034 4.690 4.640 0.026 0.000 0.220 610 D C 0.875 177.075 176.300 -0.166 0.000 1.158 610 D CA -0.323 53.548 54.000 -0.216 0.000 0.992 610 D CB 0.480 41.178 40.800 -0.170 0.000 1.058 610 D HN 0.414 nan 8.370 nan 0.000 0.516 611 Y N 1.056 121.403 120.300 0.079 0.000 2.333 611 Y HA 0.007 4.568 4.550 0.018 0.000 0.290 611 Y C 1.766 177.800 175.900 0.223 0.000 1.144 611 Y CA 0.589 58.809 58.100 0.201 0.000 1.228 611 Y CB -0.553 38.017 38.460 0.184 0.000 0.985 611 Y HN 0.237 nan 8.280 nan 0.000 0.542 612 E N 0.545 120.630 120.200 -0.191 0.000 2.267 612 E HA -0.173 4.193 4.350 0.026 0.000 0.197 612 E C 2.055 178.707 176.600 0.087 0.000 0.998 612 E CA 0.637 57.036 56.400 -0.001 0.000 0.830 612 E CB -0.013 29.590 29.700 -0.162 0.000 0.751 612 E HN 0.357 nan 8.360 nan 0.000 0.491 613 R N -0.436 120.052 120.500 -0.021 0.000 2.127 613 R HA -0.170 4.185 4.340 0.026 0.000 0.238 613 R C 1.604 177.848 176.300 -0.094 0.000 1.134 613 R CA 1.147 57.181 56.100 -0.110 0.000 0.975 613 R CB -0.530 29.585 30.300 -0.309 0.000 0.865 613 R HN 0.447 nan 8.270 nan 0.000 0.447 614 Y N 0.944 121.309 120.300 0.109 0.000 2.616 614 Y HA -0.053 4.511 4.550 0.025 0.000 0.296 614 Y C 1.951 177.924 175.900 0.122 0.000 1.154 614 Y CA 0.148 58.255 58.100 0.013 0.000 1.325 614 Y CB 0.015 38.505 38.460 0.050 0.000 1.007 614 Y HN 0.095 nan 8.280 nan 0.000 0.542 615 N N -0.378 118.575 118.700 0.422 0.000 2.106 615 N HA -0.157 4.599 4.740 0.026 0.000 0.188 615 N C 1.900 177.570 175.510 0.267 0.000 1.029 615 N CA 1.637 54.936 53.050 0.416 0.000 0.848 615 N CB -0.469 38.307 38.487 0.481 0.000 1.007 615 N HN 0.215 nan 8.380 nan 0.000 0.423 616 S N 1.618 117.426 115.700 0.180 0.000 2.370 616 S HA -0.122 4.363 4.470 0.026 0.000 0.226 616 S C 1.873 176.550 174.600 0.129 0.000 1.033 616 S CA 0.959 59.234 58.200 0.126 0.000 1.011 616 S CB -0.242 63.001 63.200 0.072 0.000 0.852 616 S HN 0.354 nan 8.310 nan 0.000 0.457 617 Q N 1.067 120.924 119.800 0.094 0.000 2.030 617 Q HA -0.019 4.336 4.340 0.026 0.000 0.204 617 Q C 2.386 178.558 176.000 0.287 0.000 0.986 617 Q CA 1.099 56.971 55.803 0.114 0.000 0.843 617 Q CB -0.716 27.933 28.738 -0.148 0.000 0.904 617 Q HN 0.507 nan 8.270 nan 0.000 0.420 618 L N 0.307 121.699 121.223 0.283 0.000 2.046 618 L HA -0.209 4.146 4.340 0.026 0.000 0.208 618 L C 2.468 179.525 176.870 0.312 0.000 1.077 618 L CA 0.592 55.635 54.840 0.339 0.000 0.747 618 L CB -0.573 41.642 42.059 0.260 0.000 0.896 618 L HN 0.199 nan 8.230 nan 0.000 0.432 619 L N -0.384 120.977 121.223 0.231 0.000 1.970 619 L HA -0.256 4.099 4.340 0.026 0.000 0.212 619 L C 2.779 179.733 176.870 0.140 0.000 1.071 619 L CA 2.289 57.224 54.840 0.158 0.000 0.751 619 L CB -0.916 41.219 42.059 0.126 0.000 0.889 619 L HN 0.237 nan 8.230 nan 0.000 0.432 620 S N -1.253 114.542 115.700 0.159 0.000 2.374 620 S HA -0.300 4.185 4.470 0.026 0.000 0.227 620 S C 2.072 176.776 174.600 0.173 0.000 1.037 620 S CA 1.838 60.126 58.200 0.147 0.000 1.024 620 S CB -0.829 62.467 63.200 0.159 0.000 0.861 620 S HN 0.571 nan 8.310 nan 0.000 0.456 621 F N 1.967 121.977 119.950 0.101 0.000 2.098 621 F HA 0.049 4.591 4.527 0.025 0.000 0.294 621 F C 2.100 177.947 175.800 0.080 0.000 1.107 621 F CA 1.520 59.563 58.000 0.073 0.000 1.234 621 F CB -0.810 38.209 39.000 0.032 0.000 1.002 621 F HN 0.079 nan 8.300 nan 0.000 0.472 622 V N 1.474 121.269 119.914 -0.199 0.000 2.407 622 V HA -0.288 3.848 4.120 0.026 0.000 0.248 622 V C 2.648 178.658 176.094 -0.142 0.000 1.055 622 V CA 2.223 64.377 62.300 -0.244 0.000 1.049 622 V CB -0.911 30.945 31.823 0.055 0.000 0.662 622 V HN 0.364 nan 8.190 nan 0.000 0.455 623 R N -0.025 120.441 120.500 -0.057 0.000 2.091 623 R HA -0.214 4.142 4.340 0.026 0.000 0.238 623 R C 2.014 178.288 176.300 -0.043 0.000 1.136 623 R CA 2.154 58.233 56.100 -0.036 0.000 0.959 623 R CB -0.286 30.014 30.300 -0.001 0.000 0.856 623 R HN 0.515 nan 8.270 nan 0.000 0.437 624 D N 0.324 120.692 120.400 -0.053 0.000 2.097 624 D HA -0.156 4.499 4.640 0.026 0.000 0.197 624 D C 1.772 178.080 176.300 0.013 0.000 0.984 624 D CA 0.797 54.790 54.000 -0.012 0.000 0.826 624 D CB -0.251 40.564 40.800 0.026 0.000 0.973 624 D HN 0.140 nan 8.370 nan 0.000 0.460 625 L N 1.245 122.384 121.223 -0.141 0.000 2.083 625 L HA -0.101 4.254 4.340 0.026 0.000 0.209 625 L C 1.304 178.241 176.870 0.112 0.000 1.083 625 L CA 1.689 56.492 54.840 -0.062 0.000 0.752 625 L CB -0.747 41.095 42.059 -0.361 0.000 0.899 625 L HN 0.011 nan 8.230 nan 0.000 0.433 626 N N -0.852 117.871 118.700 0.037 0.000 2.585 626 N HA -0.189 4.566 4.740 0.026 0.000 0.188 626 N C 0.949 176.465 175.510 0.011 0.000 1.102 626 N CA 0.371 53.455 53.050 0.057 0.000 0.920 626 N CB -0.079 38.417 38.487 0.014 0.000 0.963 626 N HN 0.595 nan 8.380 nan 0.000 0.447 627 Q N -0.499 119.281 119.800 -0.033 0.000 2.387 627 Q HA -0.033 4.323 4.340 0.026 0.000 0.211 627 Q C -0.324 175.389 176.000 -0.478 0.000 0.952 627 Q CA 0.542 56.197 55.803 -0.246 0.000 0.957 627 Q CB 0.243 28.777 28.738 -0.340 0.000 1.002 627 Q HN 0.530 nan 8.270 nan 0.000 0.502 628 Y N -2.176 118.086 120.300 -0.063 0.000 2.809 628 Y HA 0.250 4.816 4.550 0.025 0.000 0.251 628 Y C 0.805 176.663 175.900 -0.069 0.000 1.136 628 Y CA -0.545 57.503 58.100 -0.087 0.000 1.185 628 Y CB 0.475 38.862 38.460 -0.122 0.000 1.260 628 Y HN -0.027 nan 8.280 nan 0.000 0.576 629 R N 0.198 120.739 120.500 0.069 0.000 2.303 629 R HA -0.087 4.269 4.340 0.026 0.000 0.225 629 R C 1.949 178.263 176.300 0.023 0.000 1.114 629 R CA 1.116 57.251 56.100 0.057 0.000 1.007 629 R CB 0.018 30.350 30.300 0.052 0.000 0.861 629 R HN 0.386 nan 8.270 nan 0.000 0.471 630 A N 1.343 124.165 122.820 0.004 0.000 1.871 630 A HA -0.081 4.254 4.320 0.026 0.000 0.211 630 A C 1.327 178.895 177.584 -0.027 0.000 1.207 630 A CA 1.042 53.068 52.037 -0.018 0.000 0.620 630 A CB -0.100 18.878 19.000 -0.037 0.000 0.860 630 A HN 0.092 nan 8.150 nan 0.000 0.450 631 D N 0.391 120.774 120.400 -0.027 0.000 2.263 631 D HA -0.098 4.557 4.640 0.026 0.000 0.208 631 D C 1.532 177.772 176.300 -0.100 0.000 0.971 631 D CA 0.677 54.625 54.000 -0.086 0.000 0.867 631 D CB -0.129 40.596 40.800 -0.125 0.000 0.929 631 D HN 0.374 nan 8.370 nan 0.000 0.492 632 I N 0.492 121.033 120.570 -0.048 0.000 2.761 632 I HA -0.084 4.101 4.170 0.026 0.000 0.261 632 I C 1.883 177.993 176.117 -0.012 0.000 1.198 632 I CA 0.674 61.964 61.300 -0.016 0.000 1.482 632 I CB -0.481 37.538 38.000 0.031 0.000 1.100 632 I HN -0.024 nan 8.210 nan 0.000 0.445 633 K N 1.574 121.963 120.400 -0.019 0.000 2.007 633 K HA -0.101 4.235 4.320 0.026 0.000 0.206 633 K C 1.611 178.197 176.600 -0.023 0.000 1.047 633 K CA 1.061 57.336 56.287 -0.020 0.000 0.937 633 K CB -0.476 32.013 32.500 -0.018 0.000 0.718 633 K HN 0.403 nan 8.250 nan 0.000 0.438 634 E N 0.352 120.533 120.200 -0.031 0.000 2.510 634 E HA -0.054 4.312 4.350 0.026 0.000 0.202 634 E C 1.116 177.706 176.600 -0.017 0.000 1.072 634 E CA 0.517 56.900 56.400 -0.029 0.000 0.883 634 E CB -0.159 29.515 29.700 -0.044 0.000 0.818 634 E HN 0.270 nan 8.360 nan 0.000 0.548 635 M N -1.544 118.051 119.600 -0.009 0.000 2.300 635 M HA 0.224 4.720 4.480 0.026 0.000 0.313 635 M C 0.994 177.301 176.300 0.010 0.000 0.988 635 M CA 0.155 55.465 55.300 0.018 0.000 1.012 635 M CB 1.473 34.102 32.600 0.048 0.000 1.586 635 M HN 0.169 nan 8.290 nan 0.000 0.562 636 G N 1.885 110.679 108.800 -0.010 0.000 2.143 636 G HA2 -0.223 3.752 3.960 0.026 0.000 0.248 636 G HA3 -0.223 3.752 3.960 0.026 0.000 0.248 636 G C -0.147 174.722 174.900 -0.051 0.000 0.991 636 G CA -0.053 45.030 45.100 -0.028 0.000 0.689 636 G HN 0.404 nan 8.290 nan 0.000 0.522 637 L N 0.693 121.893 121.223 -0.039 0.000 2.322 637 L HA 0.712 5.068 4.340 0.026 0.000 0.279 637 L C 0.656 177.464 176.870 -0.104 0.000 1.036 637 L CA -0.636 54.161 54.840 -0.072 0.000 0.807 637 L CB 1.920 43.984 42.059 0.008 0.000 1.226 637 L HN 0.187 nan 8.230 nan 0.000 0.433 638 S N 2.035 117.620 115.700 -0.192 0.000 2.565 638 S HA 0.509 4.994 4.470 0.026 0.000 0.290 638 S C 0.414 174.844 174.600 -0.282 0.000 1.150 638 S CA -0.647 57.424 58.200 -0.216 0.000 1.058 638 S CB 1.075 64.118 63.200 -0.262 0.000 1.032 638 S HN 0.613 nan 8.310 nan 0.000 0.510 639 L N 3.558 124.584 121.223 -0.328 0.000 2.700 639 L HA 0.213 4.569 4.340 0.026 0.000 0.234 639 L C 2.007 178.426 176.870 -0.751 0.000 1.156 639 L CA -0.069 54.453 54.840 -0.530 0.000 0.946 639 L CB -0.067 41.614 42.059 -0.631 0.000 1.216 639 L HN 0.654 nan 8.230 nan 0.000 0.493 640 Q N 0.390 119.940 119.800 -0.417 0.000 2.084 640 Q HA -0.192 4.164 4.340 0.026 0.000 0.202 640 Q C 1.719 177.781 176.000 0.104 0.000 0.978 640 Q CA 2.034 57.750 55.803 -0.145 0.000 0.844 640 Q CB -0.058 28.685 28.738 0.008 0.000 0.898 640 Q HN 0.413 nan 8.270 nan 0.000 0.426 641 W N -0.233 120.972 121.300 -0.158 0.000 2.425 641 W HA -0.009 4.666 4.660 0.026 0.000 0.277 641 W C 1.842 178.309 176.519 -0.088 0.000 1.231 641 W CA 0.493 57.780 57.345 -0.098 0.000 1.248 641 W CB -0.998 28.388 29.460 -0.122 0.000 1.117 641 W HN 0.288 nan 8.180 nan 0.000 0.568 642 L N -0.899 120.353 121.223 0.048 0.000 2.072 642 L HA -0.102 4.253 4.340 0.026 0.000 0.205 642 L C 2.208 179.180 176.870 0.171 0.000 1.079 642 L CA 1.856 56.722 54.840 0.044 0.000 0.752 642 L CB -1.142 40.889 42.059 -0.046 0.000 0.906 642 L HN 0.011 nan 8.230 nan 0.000 0.436 643 Y N -1.239 119.132 120.300 0.118 0.000 2.181 643 Y HA -0.272 4.293 4.550 0.026 0.000 0.288 643 Y C 2.988 178.962 175.900 0.123 0.000 1.146 643 Y CA 0.943 59.107 58.100 0.106 0.000 1.164 643 Y CB -0.491 38.018 38.460 0.081 0.000 0.982 643 Y HN 0.327 nan 8.280 nan 0.000 0.515 644 S N 0.092 115.963 115.700 0.285 0.000 2.382 644 S HA -0.209 4.276 4.470 0.026 0.000 0.228 644 S C 2.185 176.894 174.600 0.181 0.000 1.027 644 S CA 0.987 59.308 58.200 0.202 0.000 0.991 644 S CB -0.444 62.850 63.200 0.157 0.000 0.823 644 S HN 0.452 nan 8.310 nan 0.000 0.469 645 A N 1.863 124.792 122.820 0.183 0.000 1.877 645 A HA -0.093 4.243 4.320 0.026 0.000 0.216 645 A C 2.211 179.949 177.584 0.258 0.000 1.186 645 A CA 1.680 53.831 52.037 0.189 0.000 0.620 645 A CB -0.829 18.270 19.000 0.164 0.000 0.822 645 A HN 0.610 nan 8.150 nan 0.000 0.443 646 R N -0.652 120.011 120.500 0.272 0.000 2.083 646 R HA -0.141 4.214 4.340 0.026 0.000 0.237 646 R C 2.292 178.797 176.300 0.341 0.000 1.137 646 R CA 1.725 58.013 56.100 0.313 0.000 0.951 646 R CB -0.773 29.698 30.300 0.285 0.000 0.851 646 R HN 0.480 nan 8.270 nan 0.000 0.434 647 G N 0.541 109.499 108.800 0.263 0.000 2.446 647 G HA2 -0.287 3.689 3.960 0.026 0.000 0.217 647 G HA3 -0.287 3.689 3.960 0.026 0.000 0.217 647 G C 0.866 175.938 174.900 0.287 0.000 1.168 647 G CA 1.199 46.442 45.100 0.238 0.000 0.771 647 G HN 0.355 nan 8.290 nan 0.000 0.551 648 D N -0.357 120.187 120.400 0.240 0.000 2.144 648 D HA -0.081 4.575 4.640 0.026 0.000 0.199 648 D C 1.902 178.334 176.300 0.221 0.000 0.984 648 D CA 0.386 54.501 54.000 0.192 0.000 0.834 648 D CB -0.318 40.566 40.800 0.140 0.000 0.955 648 D HN 0.313 nan 8.370 nan 0.000 0.465 649 F N -0.011 120.046 119.950 0.177 0.000 2.146 649 F HA -0.122 4.424 4.527 0.030 0.000 0.298 649 F C 2.035 177.960 175.800 0.208 0.000 1.096 649 F CA 0.860 58.970 58.000 0.182 0.000 1.275 649 F CB -0.305 38.841 39.000 0.243 0.000 1.008 649 F HN -0.102 nan 8.300 nan 0.000 0.480 650 F N 1.133 121.246 119.950 0.272 0.000 2.095 650 F HA -0.214 4.331 4.527 0.030 0.000 0.298 650 F C 2.595 178.427 175.800 0.054 0.000 1.104 650 F CA 1.969 60.073 58.000 0.173 0.000 1.232 650 F CB -0.546 38.563 39.000 0.181 0.000 0.987 650 F HN -0.200 nan 8.300 nan 0.000 0.475 651 R N -0.033 120.595 120.500 0.213 0.000 2.103 651 R HA -0.203 4.153 4.340 0.026 0.000 0.242 651 R C 2.441 178.682 176.300 -0.099 0.000 1.142 651 R CA 1.409 57.550 56.100 0.068 0.000 0.960 651 R CB -0.836 29.530 30.300 0.110 0.000 0.858 651 R HN 0.438 nan 8.270 nan 0.000 0.439 652 A N 0.287 123.017 122.820 -0.151 0.000 1.902 652 A HA -0.190 4.146 4.320 0.026 0.000 0.217 652 A C 2.256 179.651 177.584 -0.315 0.000 1.181 652 A CA 2.113 54.002 52.037 -0.247 0.000 0.623 652 A CB -0.982 17.831 19.000 -0.311 0.000 0.818 652 A HN 0.563 nan 8.150 nan 0.000 0.443 653 T N -3.182 111.139 114.554 -0.388 0.000 2.777 653 T HA -0.113 4.252 4.350 0.026 0.000 0.266 653 T C 2.039 176.671 174.700 -0.114 0.000 1.040 653 T CA 1.932 63.901 62.100 -0.218 0.000 1.141 653 T CB -0.639 68.189 68.868 -0.067 0.000 0.868 653 T HN 0.236 nan 8.240 nan 0.000 0.444 654 S N 1.159 116.703 115.700 -0.260 0.000 2.370 654 S HA -0.086 4.400 4.470 0.026 0.000 0.226 654 S C 2.168 176.720 174.600 -0.081 0.000 1.033 654 S CA 1.395 59.478 58.200 -0.195 0.000 1.011 654 S CB -0.472 62.578 63.200 -0.249 0.000 0.852 654 S HN 0.655 nan 8.310 nan 0.000 0.457 655 R N 0.582 121.022 120.500 -0.099 0.000 2.096 655 R HA -0.075 4.281 4.340 0.026 0.000 0.235 655 R C 2.275 178.524 176.300 -0.084 0.000 1.127 655 R CA 1.286 57.337 56.100 -0.082 0.000 0.968 655 R CB -0.434 29.803 30.300 -0.104 0.000 0.861 655 R HN 0.359 nan 8.270 nan 0.000 0.440 656 L N 0.973 122.128 121.223 -0.114 0.000 2.093 656 L HA -0.068 4.287 4.340 0.026 0.000 0.208 656 L C 1.907 178.845 176.870 0.113 0.000 1.085 656 L CA 1.993 56.755 54.840 -0.129 0.000 0.755 656 L CB -0.602 41.255 42.059 -0.338 0.000 0.904 656 L HN 0.136 nan 8.230 nan 0.000 0.435 657 T N -1.131 113.552 114.554 0.216 0.000 2.777 657 T HA -0.152 4.213 4.350 0.026 0.000 0.266 657 T C 1.730 176.540 174.700 0.184 0.000 1.040 657 T CA 1.849 64.128 62.100 0.298 0.000 1.141 657 T CB -0.400 68.578 68.868 0.183 0.000 0.868 657 T HN 0.415 nan 8.240 nan 0.000 0.444 658 T N 2.061 116.666 114.554 0.084 0.000 2.684 658 T HA -0.145 4.220 4.350 0.026 0.000 0.267 658 T C 1.712 176.435 174.700 0.037 0.000 1.036 658 T CA 1.505 63.635 62.100 0.049 0.000 1.148 658 T CB -0.558 68.319 68.868 0.015 0.000 0.863 658 T HN 0.330 nan 8.240 nan 0.000 0.436 659 D N 0.341 120.732 120.400 -0.015 0.000 2.123 659 D HA -0.043 4.612 4.640 0.026 0.000 0.196 659 D C 1.790 178.042 176.300 -0.081 0.000 0.992 659 D CA 0.926 54.871 54.000 -0.091 0.000 0.833 659 D CB -0.512 40.164 40.800 -0.207 0.000 0.954 659 D HN 0.387 nan 8.370 nan 0.000 0.455 660 F N 0.983 120.929 119.950 -0.007 0.000 2.095 660 F HA -0.106 4.426 4.527 0.009 0.000 0.298 660 F C 2.616 178.420 175.800 0.007 0.000 1.104 660 F CA 1.366 59.369 58.000 0.005 0.000 1.232 660 F CB -0.499 38.523 39.000 0.035 0.000 0.987 660 F HN 0.035 nan 8.300 nan 0.000 0.475 661 G N -0.388 108.536 108.800 0.207 0.000 2.440 661 G HA2 -0.273 3.703 3.960 0.026 0.000 0.218 661 G HA3 -0.273 3.703 3.960 0.026 0.000 0.218 661 G C 1.362 176.308 174.900 0.076 0.000 1.154 661 G CA 1.064 46.233 45.100 0.116 0.000 0.767 661 G HN 0.247 nan 8.290 nan 0.000 0.552 662 N N 0.972 119.704 118.700 0.055 0.000 2.461 662 N HA 0.201 4.957 4.740 0.026 0.000 0.188 662 N C 0.860 176.384 175.510 0.024 0.000 1.134 662 N CA 0.478 53.546 53.050 0.031 0.000 0.878 662 N CB 0.161 38.657 38.487 0.015 0.000 0.972 662 N HN 0.368 nan 8.380 nan 0.000 0.456 663 A N 0.799 123.638 122.820 0.032 0.000 2.322 663 A HA 0.335 4.671 4.320 0.026 0.000 0.269 663 A C -0.240 177.370 177.584 0.042 0.000 1.094 663 A CA -0.481 51.569 52.037 0.022 0.000 0.807 663 A CB 0.335 19.337 19.000 0.003 0.000 1.047 663 A HN 0.109 nan 8.150 nan 0.000 0.487 664 E N 2.103 122.323 120.200 0.033 0.000 2.070 664 E HA 0.209 4.575 4.350 0.026 0.000 0.282 664 E C 0.249 176.874 176.600 0.041 0.000 1.104 664 E CA -0.487 55.934 56.400 0.035 0.000 0.876 664 E CB 0.484 30.201 29.700 0.027 0.000 1.055 664 E HN 0.428 nan 8.360 nan 0.000 0.401 665 K N 1.419 121.846 120.400 0.046 0.000 2.442 665 K HA -0.122 4.214 4.320 0.026 0.000 0.199 665 K C 1.301 177.919 176.600 0.030 0.000 1.044 665 K CA 1.351 57.665 56.287 0.046 0.000 0.941 665 K CB -0.534 31.988 32.500 0.038 0.000 0.759 665 K HN 0.620 nan 8.250 nan 0.000 0.472 666 T N -1.948 112.622 114.554 0.027 0.000 3.086 666 T HA 0.019 4.385 4.350 0.026 0.000 0.250 666 T C 0.238 174.954 174.700 0.027 0.000 1.074 666 T CA -0.333 61.779 62.100 0.020 0.000 0.988 666 T CB 0.073 68.951 68.868 0.017 0.000 0.988 666 T HN -0.114 nan 8.240 nan 0.000 0.530 667 D N 2.227 122.649 120.400 0.037 0.000 2.479 667 D HA 0.192 4.848 4.640 0.026 0.000 0.218 667 D C 1.541 177.885 176.300 0.075 0.000 1.131 667 D CA -0.887 53.146 54.000 0.054 0.000 0.916 667 D CB 0.800 41.632 40.800 0.054 0.000 1.022 667 D HN 0.433 nan 8.370 nan 0.000 0.515 668 R N 2.343 122.890 120.500 0.079 0.000 2.237 668 R HA -0.101 4.255 4.340 0.026 0.000 0.219 668 R C 1.216 177.568 176.300 0.087 0.000 1.080 668 R CA 0.627 56.765 56.100 0.065 0.000 0.995 668 R CB -0.414 29.914 30.300 0.047 0.000 0.875 668 R HN 0.313 nan 8.270 nan 0.000 0.462 669 F N 1.091 121.024 119.950 -0.029 0.000 2.128 669 F HA -0.099 4.442 4.527 0.024 0.000 0.295 669 F C 2.323 178.097 175.800 -0.043 0.000 1.100 669 F CA 1.350 59.329 58.000 -0.035 0.000 1.260 669 F CB -0.261 38.721 39.000 -0.029 0.000 1.009 669 F HN -0.115 nan 8.300 nan 0.000 0.476 670 V N 0.439 120.431 119.914 0.131 0.000 2.427 670 V HA -0.255 3.881 4.120 0.026 0.000 0.248 670 V C 2.165 178.220 176.094 -0.066 0.000 1.051 670 V CA 1.657 63.965 62.300 0.014 0.000 1.048 670 V CB -0.235 31.600 31.823 0.021 0.000 0.666 670 V HN 0.258 nan 8.190 nan 0.000 0.456 671 M N 0.314 119.902 119.600 -0.020 0.000 2.086 671 M HA -0.116 4.380 4.480 0.026 0.000 0.261 671 M C 2.178 178.454 176.300 -0.040 0.000 1.067 671 M CA 2.438 57.738 55.300 -0.001 0.000 1.116 671 M CB -1.550 31.077 32.600 0.046 0.000 1.348 671 M HN 0.443 nan 8.290 nan 0.000 0.407 672 K N 1.175 121.523 120.400 -0.087 0.000 2.034 672 K HA -0.193 4.143 4.320 0.026 0.000 0.214 672 K C 2.062 178.572 176.600 -0.149 0.000 1.051 672 K CA 1.795 58.001 56.287 -0.134 0.000 0.931 672 K CB -0.481 31.876 32.500 -0.238 0.000 0.715 672 K HN 0.145 nan 8.250 nan 0.000 0.446 673 K N 0.434 120.710 120.400 -0.207 0.000 2.032 673 K HA -0.129 4.207 4.320 0.026 0.000 0.209 673 K C 2.134 178.614 176.600 -0.198 0.000 1.048 673 K CA 1.827 57.991 56.287 -0.204 0.000 0.927 673 K CB -0.254 32.124 32.500 -0.203 0.000 0.712 673 K HN 0.305 nan 8.250 nan 0.000 0.441 674 L N 0.906 121.978 121.223 -0.252 0.000 2.072 674 L HA -0.168 4.188 4.340 0.026 0.000 0.205 674 L C 2.190 178.994 176.870 -0.110 0.000 1.079 674 L CA 0.880 55.474 54.840 -0.411 0.000 0.752 674 L CB -0.569 40.897 42.059 -0.989 0.000 0.906 674 L HN 0.169 nan 8.230 nan 0.000 0.436 675 N N 0.178 118.903 118.700 0.042 0.000 2.166 675 N HA -0.176 4.579 4.740 0.026 0.000 0.186 675 N C 1.421 176.946 175.510 0.025 0.000 1.019 675 N CA 1.312 54.432 53.050 0.116 0.000 0.856 675 N CB -0.314 38.212 38.487 0.065 0.000 0.993 675 N HN 0.275 nan 8.380 nan 0.000 0.426 676 D N 0.690 121.077 120.400 -0.022 0.000 2.144 676 D HA -0.076 4.580 4.640 0.026 0.000 0.199 676 D C 1.995 178.265 176.300 -0.049 0.000 0.984 676 D CA 0.694 54.668 54.000 -0.045 0.000 0.834 676 D CB -0.055 40.708 40.800 -0.062 0.000 0.955 676 D HN 0.263 nan 8.370 nan 0.000 0.465 677 R N 0.287 120.746 120.500 -0.069 0.000 2.081 677 R HA -0.054 4.301 4.340 0.026 0.000 0.235 677 R C 2.302 178.582 176.300 -0.034 0.000 1.131 677 R CA 0.663 56.718 56.100 -0.076 0.000 0.960 677 R CB -0.566 29.638 30.300 -0.159 0.000 0.856 677 R HN 0.161 nan 8.270 nan 0.000 0.436 678 V N 1.319 121.236 119.914 0.005 0.000 2.427 678 V HA -0.202 3.934 4.120 0.026 0.000 0.248 678 V C 2.327 178.487 176.094 0.111 0.000 1.051 678 V CA 1.448 63.792 62.300 0.075 0.000 1.048 678 V CB -0.391 31.539 31.823 0.178 0.000 0.666 678 V HN 0.302 nan 8.190 nan 0.000 0.456 679 M N -0.857 118.780 119.600 0.062 0.000 2.549 679 M HA -0.089 4.407 4.480 0.026 0.000 0.260 679 M C 2.033 178.394 176.300 0.103 0.000 1.076 679 M CA 1.432 56.772 55.300 0.066 0.000 1.090 679 M CB -0.062 32.509 32.600 -0.048 0.000 1.418 679 M HN 0.239 nan 8.290 nan 0.000 0.486 680 R N -1.799 118.753 120.500 0.087 0.000 2.335 680 R HA 0.108 4.463 4.340 0.026 0.000 0.210 680 R C 1.820 178.160 176.300 0.065 0.000 0.892 680 R CA -0.066 56.076 56.100 0.069 0.000 1.048 680 R CB 0.239 30.572 30.300 0.055 0.000 1.067 680 R HN 0.171 nan 8.270 nan 0.000 0.524 681 V N 1.652 121.654 119.914 0.146 0.000 2.220 681 V HA -0.330 3.806 4.120 0.026 0.000 0.250 681 V C 2.227 178.392 176.094 0.118 0.000 1.056 681 V CA 2.369 64.769 62.300 0.167 0.000 1.016 681 V CB -0.401 31.607 31.823 0.309 0.000 0.639 681 V HN 0.269 nan 8.190 nan 0.000 0.446 682 E N -0.607 119.751 120.200 0.264 0.000 2.049 682 E HA -0.297 4.069 4.350 0.026 0.000 0.198 682 E C 2.070 178.771 176.600 0.169 0.000 1.007 682 E CA 2.123 58.736 56.400 0.355 0.000 0.809 682 E CB -0.571 29.376 29.700 0.411 0.000 0.749 682 E HN 0.685 nan 8.360 nan 0.000 0.450 683 Y N 0.010 120.245 120.300 -0.107 0.000 2.274 683 Y HA -0.217 4.348 4.550 0.025 0.000 0.290 683 Y C 1.813 177.470 175.900 -0.406 0.000 1.145 683 Y CA 1.958 59.838 58.100 -0.368 0.000 1.203 683 Y CB -0.066 37.872 38.460 -0.871 0.000 0.984 683 Y HN 0.249 nan 8.280 nan 0.000 0.533 684 H N -1.106 117.841 119.070 -0.204 0.000 2.563 684 H HA -0.011 4.560 4.556 0.025 0.000 0.272 684 H C 0.908 175.911 175.328 -0.541 0.000 1.005 684 H CA 0.758 56.593 56.048 -0.355 0.000 1.171 684 H CB -0.573 29.010 29.762 -0.298 0.000 1.351 684 H HN 0.477 nan 8.280 nan 0.000 0.602 685 F N -0.084 119.691 119.950 -0.291 0.000 2.695 685 F HA 0.144 4.685 4.527 0.024 0.000 0.303 685 F C 0.859 176.299 175.800 -0.600 0.000 1.091 685 F CA -0.260 57.458 58.000 -0.469 0.000 1.300 685 F CB 0.719 39.340 39.000 -0.631 0.000 1.071 685 F HN -0.073 nan 8.300 nan 0.000 0.578 686 L N 1.084 122.044 121.223 -0.438 0.000 2.410 686 L HA 0.061 4.416 4.340 0.026 0.000 0.273 686 L C 0.897 177.558 176.870 -0.348 0.000 1.144 686 L CA -0.102 54.482 54.840 -0.426 0.000 0.863 686 L CB 0.708 42.358 42.059 -0.682 0.000 1.140 686 L HN -0.023 nan 8.230 nan 0.000 0.463 687 S N 5.178 120.740 115.700 -0.230 0.000 2.525 687 S HA 0.141 4.627 4.470 0.026 0.000 0.285 687 S C -1.492 172.922 174.600 -0.309 0.000 1.283 687 S CA -1.026 57.061 58.200 -0.189 0.000 1.072 687 S CB 0.774 63.921 63.200 -0.088 0.000 0.867 687 S HN 0.410 nan 8.310 nan 0.000 0.492 688 P HA 0.116 nan 4.420 nan 0.000 0.241 688 P C -0.331 176.626 177.300 -0.571 0.000 1.191 688 P CA 0.643 63.407 63.100 -0.560 0.000 0.771 688 P CB -0.056 31.197 31.700 -0.745 0.000 0.929 689 Y N -0.596 119.645 120.300 -0.099 0.000 2.571 689 Y HA 0.245 4.810 4.550 0.026 0.000 0.275 689 Y C 0.936 176.781 175.900 -0.092 0.000 1.179 689 Y CA -0.713 57.343 58.100 -0.072 0.000 1.242 689 Y CB 0.360 38.811 38.460 -0.015 0.000 1.126 689 Y HN -0.212 nan 8.280 nan 0.000 0.524 690 V N -2.848 117.021 119.914 -0.074 0.000 2.760 690 V HA 0.581 4.716 4.120 0.026 0.000 0.309 690 V C -0.201 175.813 176.094 -0.134 0.000 1.077 690 V CA -1.202 61.029 62.300 -0.115 0.000 0.910 690 V CB 1.784 33.456 31.823 -0.251 0.000 1.008 690 V HN -0.011 nan 8.190 nan 0.000 0.424 691 S N 4.407 120.055 115.700 -0.086 0.000 2.531 691 S HA 0.447 4.933 4.470 0.026 0.000 0.279 691 S C -1.397 173.152 174.600 -0.085 0.000 1.305 691 S CA -0.592 57.563 58.200 -0.074 0.000 1.058 691 S CB 1.167 64.343 63.200 -0.039 0.000 0.899 691 S HN 0.804 nan 8.310 nan 0.000 0.493 692 P HA -0.013 nan 4.420 nan 0.000 0.225 692 P C 1.116 178.408 177.300 -0.014 0.000 1.148 692 P CA 0.704 63.771 63.100 -0.055 0.000 0.779 692 P CB 0.190 31.857 31.700 -0.054 0.000 0.780 693 K N 0.112 120.499 120.400 -0.021 0.000 2.044 693 K HA -0.061 4.274 4.320 0.026 0.000 0.204 693 K C 1.920 178.499 176.600 -0.035 0.000 1.049 693 K CA 1.344 57.617 56.287 -0.023 0.000 0.945 693 K CB -0.456 32.036 32.500 -0.012 0.000 0.724 693 K HN 0.288 nan 8.250 nan 0.000 0.440 694 E N 0.721 120.905 120.200 -0.028 0.000 2.072 694 E HA -0.058 4.307 4.350 0.026 0.000 0.190 694 E C 0.038 176.627 176.600 -0.017 0.000 0.982 694 E CA 0.864 57.255 56.400 -0.016 0.000 0.803 694 E CB 0.196 29.893 29.700 -0.005 0.000 0.755 694 E HN 0.144 nan 8.360 nan 0.000 0.453 695 S N 0.054 115.731 115.700 -0.038 0.000 2.496 695 S HA 0.257 4.743 4.470 0.026 0.000 0.221 695 S C -2.529 172.016 174.600 -0.091 0.000 1.260 695 S CA -1.287 56.899 58.200 -0.024 0.000 1.181 695 S CB 1.611 64.864 63.200 0.087 0.000 1.136 695 S HN -0.155 nan 8.310 nan 0.000 0.467 696 P HA 0.016 nan 4.420 nan 0.000 0.218 696 P C -0.083 177.145 177.300 -0.120 0.000 1.149 696 P CA 0.800 63.779 63.100 -0.203 0.000 0.817 696 P CB -0.144 31.192 31.700 -0.606 0.000 0.785 697 F N -0.113 119.972 119.950 0.226 0.000 2.541 697 F HA 0.271 4.813 4.527 0.026 0.000 0.351 697 F C 1.577 177.543 175.800 0.278 0.000 1.209 697 F CA -0.555 57.577 58.000 0.221 0.000 1.277 697 F CB -0.019 39.145 39.000 0.273 0.000 1.632 697 F HN -0.246 nan 8.300 nan 0.000 0.619 698 R N -0.864 119.778 120.500 0.236 0.000 2.299 698 R HA -0.040 4.316 4.340 0.026 0.000 0.197 698 R C 0.666 177.083 176.300 0.196 0.000 0.971 698 R CA 0.047 56.174 56.100 0.045 0.000 1.030 698 R CB -0.142 30.032 30.300 -0.209 0.000 0.932 698 R HN 0.441 nan 8.270 nan 0.000 0.477 699 H N 1.875 121.049 119.070 0.173 0.000 3.091 699 H HA -0.022 4.549 4.556 0.025 0.000 0.289 699 H C 1.398 176.769 175.328 0.071 0.000 0.995 699 H CA 0.110 56.235 56.048 0.128 0.000 1.461 699 H CB 1.048 30.930 29.762 0.200 0.000 1.510 699 H HN -0.042 nan 8.280 nan 0.000 0.546 700 V N 3.108 123.004 119.914 -0.030 0.000 2.867 700 V HA -0.162 3.974 4.120 0.026 0.000 0.260 700 V C 1.462 177.276 176.094 -0.468 0.000 1.099 700 V CA 1.254 63.424 62.300 -0.216 0.000 1.122 700 V CB -0.956 30.647 31.823 -0.367 0.000 0.708 700 V HN 0.442 nan 8.190 nan 0.000 0.490 701 F N -0.868 118.934 119.950 -0.246 0.000 2.437 701 F HA 0.291 4.834 4.527 0.028 0.000 0.288 701 F C 1.819 177.198 175.800 -0.702 0.000 1.085 701 F CA 1.005 58.513 58.000 -0.819 0.000 1.430 701 F CB 0.034 38.101 39.000 -1.554 0.000 1.120 701 F HN 0.178 nan 8.300 nan 0.000 0.556 702 W N -0.746 120.720 121.300 0.276 0.000 2.725 702 W HA 0.387 5.061 4.660 0.023 0.000 0.336 702 W C 1.316 177.907 176.519 0.119 0.000 1.012 702 W CA -0.192 57.197 57.345 0.073 0.000 1.566 702 W CB -0.287 29.045 29.460 -0.214 0.000 1.068 702 W HN -0.144 nan 8.180 nan 0.000 0.546 703 G N 0.748 109.756 108.800 0.348 0.000 2.509 703 G HA2 0.467 4.442 3.960 0.026 0.000 0.269 703 G HA3 0.467 4.442 3.960 0.026 0.000 0.269 703 G C -0.445 174.651 174.900 0.326 0.000 1.416 703 G CA -0.280 45.047 45.100 0.377 0.000 1.052 703 G HN -0.117 nan 8.290 nan 0.000 0.542 704 S N -1.353 114.583 115.700 0.393 0.000 2.557 704 S HA 0.803 5.289 4.470 0.026 0.000 0.291 704 S C 0.181 174.856 174.600 0.124 0.000 1.116 704 S CA 0.301 58.648 58.200 0.246 0.000 0.992 704 S CB 1.525 64.949 63.200 0.373 0.000 1.028 704 S HN 1.799 nan 8.310 nan 0.000 0.484 705 G N 1.291 110.050 108.800 -0.068 0.000 2.346 705 G HA2 0.048 4.024 3.960 0.026 0.000 0.294 705 G HA3 0.048 4.024 3.960 0.026 0.000 0.294 705 G C 0.333 175.119 174.900 -0.191 0.000 1.294 705 G CA -0.054 45.013 45.100 -0.056 0.000 0.962 705 G HN 0.992 nan 8.290 nan 0.000 0.508 706 S N -0.490 115.192 115.700 -0.030 0.000 2.603 706 S HA 0.021 4.507 4.470 0.026 0.000 0.220 706 S C 1.448 176.026 174.600 -0.036 0.000 0.967 706 S CA 1.457 59.644 58.200 -0.023 0.000 0.920 706 S CB -0.482 62.739 63.200 0.035 0.000 0.773 706 S HN 1.180 nan 8.310 nan 0.000 0.529 707 H N 0.926 119.995 119.070 -0.003 0.000 2.551 707 H HA 0.176 4.748 4.556 0.025 0.000 0.271 707 H C 0.575 175.855 175.328 -0.079 0.000 0.984 707 H CA 0.546 56.578 56.048 -0.027 0.000 1.164 707 H CB -0.857 28.906 29.762 0.003 0.000 1.437 707 H HN 0.464 nan 8.280 nan 0.000 0.550 708 T N -1.038 113.233 114.554 -0.471 0.000 2.909 708 T HA 0.262 4.627 4.350 0.026 0.000 0.289 708 T C 1.661 176.179 174.700 -0.303 0.000 1.005 708 T CA -0.744 61.142 62.100 -0.356 0.000 1.084 708 T CB 1.632 70.313 68.868 -0.311 0.000 0.975 708 T HN 0.161 nan 8.240 nan 0.000 0.509 709 L N 2.092 123.036 121.223 -0.465 0.000 2.021 709 L HA -0.053 4.303 4.340 0.026 0.000 0.215 709 L C -0.457 176.318 176.870 -0.158 0.000 1.074 709 L CA 1.544 56.071 54.840 -0.522 0.000 0.760 709 L CB -1.839 39.524 42.059 -1.160 0.000 0.889 709 L HN 0.535 nan 8.230 nan 0.000 0.433 710 P HA -0.213 nan 4.420 nan 0.000 0.215 710 P C 1.557 178.864 177.300 0.013 0.000 1.157 710 P CA 1.984 65.083 63.100 -0.002 0.000 0.874 710 P CB -0.049 31.649 31.700 -0.003 0.000 0.790 711 A N -0.599 122.200 122.820 -0.036 0.000 1.908 711 A HA -0.212 4.124 4.320 0.026 0.000 0.218 711 A C 2.252 179.852 177.584 0.026 0.000 1.181 711 A CA 1.689 53.716 52.037 -0.016 0.000 0.627 711 A CB -1.756 17.206 19.000 -0.064 0.000 0.818 711 A HN 0.211 nan 8.150 nan 0.000 0.445 712 L N -0.651 120.591 121.223 0.031 0.000 2.046 712 L HA -0.152 4.203 4.340 0.026 0.000 0.208 712 L C 2.393 179.350 176.870 0.145 0.000 1.077 712 L CA 1.457 56.360 54.840 0.106 0.000 0.747 712 L CB -0.200 41.924 42.059 0.107 0.000 0.896 712 L HN 0.432 nan 8.230 nan 0.000 0.432 713 L N -0.511 120.788 121.223 0.126 0.000 2.056 713 L HA -0.212 4.144 4.340 0.026 0.000 0.207 713 L C 2.520 179.408 176.870 0.030 0.000 1.078 713 L CA 1.512 56.392 54.840 0.068 0.000 0.749 713 L CB -0.521 41.616 42.059 0.129 0.000 0.901 713 L HN 0.319 nan 8.230 nan 0.000 0.433 714 E N -0.132 120.104 120.200 0.060 0.000 2.110 714 E HA -0.240 4.126 4.350 0.026 0.000 0.193 714 E C 1.775 178.416 176.600 0.067 0.000 0.988 714 E CA 1.201 57.638 56.400 0.061 0.000 0.804 714 E CB -0.118 29.617 29.700 0.059 0.000 0.745 714 E HN 0.362 nan 8.360 nan 0.000 0.458 715 N N 0.455 119.206 118.700 0.086 0.000 2.309 715 N HA -0.140 4.616 4.740 0.026 0.000 0.182 715 N C 1.480 177.119 175.510 0.216 0.000 1.018 715 N CA 0.551 53.685 53.050 0.140 0.000 0.876 715 N CB 0.085 38.653 38.487 0.135 0.000 0.972 715 N HN 0.073 nan 8.380 nan 0.000 0.434 716 L N 0.472 121.712 121.223 0.029 0.000 2.298 716 L HA 0.212 4.567 4.340 0.026 0.000 0.209 716 L C 1.960 178.633 176.870 -0.327 0.000 1.084 716 L CA 1.111 55.795 54.840 -0.260 0.000 0.816 716 L CB -0.494 41.217 42.059 -0.580 0.000 0.967 716 L HN 0.054 nan 8.230 nan 0.000 0.460 717 K N -0.335 119.991 120.400 -0.123 0.000 2.283 717 K HA -0.080 4.256 4.320 0.026 0.000 0.202 717 K C 1.391 178.010 176.600 0.030 0.000 1.048 717 K CA 0.933 57.255 56.287 0.058 0.000 0.948 717 K CB -0.070 32.498 32.500 0.113 0.000 0.742 717 K HN 0.358 nan 8.250 nan 0.000 0.458 718 L N 0.866 122.109 121.223 0.034 0.000 2.660 718 L HA 0.074 4.430 4.340 0.026 0.000 0.238 718 L C 1.990 178.858 176.870 -0.004 0.000 1.161 718 L CA 0.076 54.956 54.840 0.066 0.000 0.937 718 L CB -0.131 42.016 42.059 0.146 0.000 1.122 718 L HN 0.139 nan 8.230 nan 0.000 0.435 719 R N 0.748 121.121 120.500 -0.210 0.000 2.365 719 R HA -0.009 4.346 4.340 0.026 0.000 0.223 719 R C 2.151 178.309 176.300 -0.236 0.000 0.899 719 R CA 0.098 55.915 56.100 -0.472 0.000 1.059 719 R CB 0.391 30.054 30.300 -1.061 0.000 1.086 719 R HN 0.349 nan 8.270 nan 0.000 0.522 720 K N 0.750 121.086 120.400 -0.108 0.000 2.103 720 K HA -0.121 4.215 4.320 0.026 0.000 0.204 720 K C 0.498 177.072 176.600 -0.044 0.000 1.052 720 K CA 0.596 56.846 56.287 -0.062 0.000 0.945 720 K CB -0.182 32.304 32.500 -0.024 0.000 0.722 720 K HN 0.150 nan 8.250 nan 0.000 0.443 721 Q N 1.341 121.127 119.800 -0.024 0.000 2.313 721 Q HA 0.105 4.461 4.340 0.026 0.000 0.266 721 Q C -0.521 175.476 176.000 -0.005 0.000 0.989 721 Q CA -0.359 55.442 55.803 -0.004 0.000 0.890 721 Q CB 0.780 29.528 28.738 0.018 0.000 1.200 721 Q HN 0.068 nan 8.270 nan 0.000 0.396 722 N N 2.110 120.809 118.700 -0.001 0.000 2.501 722 N HA -0.033 4.723 4.740 0.026 0.000 0.195 722 N C -0.554 174.973 175.510 0.028 0.000 1.213 722 N CA 0.168 53.222 53.050 0.007 0.000 0.864 722 N CB -0.264 38.224 38.487 0.001 0.000 0.999 722 N HN 0.628 nan 8.380 nan 0.000 0.454 723 N N -0.210 118.511 118.700 0.035 0.000 2.444 723 N HA 0.100 4.856 4.740 0.026 0.000 0.255 723 N C 1.266 176.815 175.510 0.065 0.000 1.255 723 N CA 0.132 53.208 53.050 0.044 0.000 0.933 723 N CB 0.595 39.107 38.487 0.042 0.000 1.143 723 N HN 0.088 nan 8.380 nan 0.000 0.453 724 G N 0.692 109.526 108.800 0.056 0.000 2.990 724 G HA2 0.081 4.057 3.960 0.026 0.000 0.206 724 G HA3 0.081 4.057 3.960 0.026 0.000 0.206 724 G C 1.064 176.002 174.900 0.063 0.000 1.169 724 G CA 0.491 45.627 45.100 0.060 0.000 0.819 724 G HN 0.707 nan 8.290 nan 0.000 0.517 725 A N 0.596 123.464 122.820 0.080 0.000 1.929 725 A HA 0.218 4.554 4.320 0.026 0.000 0.216 725 A C 1.023 178.669 177.584 0.104 0.000 1.176 725 A CA -0.051 52.032 52.037 0.076 0.000 0.628 725 A CB -0.366 18.680 19.000 0.076 0.000 0.816 725 A HN 0.379 nan 8.150 nan 0.000 0.444 726 F N 1.190 121.133 119.950 -0.011 0.000 2.595 726 F HA 0.273 4.815 4.527 0.026 0.000 0.359 726 F C 0.314 176.106 175.800 -0.013 0.000 1.147 726 F CA -0.296 57.689 58.000 -0.024 0.000 1.341 726 F CB 0.359 39.331 39.000 -0.046 0.000 1.104 726 F HN 0.184 nan 8.300 nan 0.000 0.603 727 N N 4.467 122.581 118.700 -0.976 0.000 2.790 727 N HA 0.040 4.795 4.740 0.026 0.000 0.256 727 N C 0.683 175.627 175.510 -0.943 0.000 1.409 727 N CA -0.092 52.536 53.050 -0.702 0.000 0.799 727 N CB 0.292 38.594 38.487 -0.309 0.000 1.170 727 N HN 0.913 nan 8.380 nan 0.000 0.507 728 E N 0.549 120.072 120.200 -1.129 0.000 2.114 728 E HA -0.270 4.095 4.350 0.026 0.000 0.199 728 E C 1.195 177.703 176.600 -0.153 0.000 1.008 728 E CA 2.549 58.619 56.400 -0.551 0.000 0.810 728 E CB 0.228 29.891 29.700 -0.061 0.000 0.739 728 E HN 0.643 nan 8.360 nan 0.000 0.456 729 T N -0.031 114.433 114.554 -0.150 0.000 2.622 729 T HA -0.244 4.121 4.350 0.026 0.000 0.266 729 T C 1.943 176.601 174.700 -0.069 0.000 1.047 729 T CA 1.367 63.423 62.100 -0.074 0.000 1.159 729 T CB -0.773 68.054 68.868 -0.069 0.000 0.863 729 T HN 0.240 nan 8.240 nan 0.000 0.422 730 L N 0.721 121.886 121.223 -0.097 0.000 2.051 730 L HA -0.054 4.302 4.340 0.026 0.000 0.214 730 L C 2.253 179.094 176.870 -0.047 0.000 1.076 730 L CA 1.997 56.793 54.840 -0.073 0.000 0.758 730 L CB -1.172 40.838 42.059 -0.082 0.000 0.890 730 L HN 0.375 nan 8.230 nan 0.000 0.433 731 F N 0.344 120.195 119.950 -0.166 0.000 2.134 731 F HA -0.206 4.337 4.527 0.026 0.000 0.299 731 F C 2.471 178.219 175.800 -0.086 0.000 1.097 731 F CA 1.739 59.681 58.000 -0.097 0.000 1.264 731 F CB -0.284 38.697 39.000 -0.032 0.000 1.001 731 F HN 0.028 nan 8.300 nan 0.000 0.479 732 R N 0.138 120.555 120.500 -0.139 0.000 2.120 732 R HA -0.164 4.192 4.340 0.026 0.000 0.234 732 R C 2.204 178.320 176.300 -0.307 0.000 1.123 732 R CA 1.415 57.363 56.100 -0.254 0.000 0.975 732 R CB -0.737 29.519 30.300 -0.073 0.000 0.866 732 R HN 0.453 nan 8.270 nan 0.000 0.446 733 N N 0.686 119.256 118.700 -0.216 0.000 2.207 733 N HA -0.143 4.612 4.740 0.026 0.000 0.182 733 N C 1.622 176.994 175.510 -0.229 0.000 1.020 733 N CA 0.950 53.893 53.050 -0.179 0.000 0.858 733 N CB 0.202 38.635 38.487 -0.091 0.000 0.991 733 N HN 0.315 nan 8.380 nan 0.000 0.427 734 Q N 0.664 120.318 119.800 -0.244 0.000 2.061 734 Q HA -0.179 4.177 4.340 0.026 0.000 0.204 734 Q C 2.189 177.984 176.000 -0.341 0.000 0.984 734 Q CA 1.206 56.869 55.803 -0.235 0.000 0.846 734 Q CB -0.180 28.447 28.738 -0.186 0.000 0.902 734 Q HN 0.270 nan 8.270 nan 0.000 0.421 735 L N 0.772 121.650 121.223 -0.575 0.000 2.012 735 L HA -0.208 4.148 4.340 0.026 0.000 0.210 735 L C 2.161 178.757 176.870 -0.457 0.000 1.073 735 L CA 2.263 56.764 54.840 -0.566 0.000 0.748 735 L CB -0.893 40.691 42.059 -0.793 0.000 0.891 735 L HN 0.158 nan 8.230 nan 0.000 0.431 736 A N -0.379 122.125 122.820 -0.527 0.000 1.845 736 A HA -0.187 4.148 4.320 0.026 0.000 0.215 736 A C 2.254 179.422 177.584 -0.694 0.000 1.195 736 A CA 2.139 53.694 52.037 -0.803 0.000 0.616 736 A CB -1.082 17.402 19.000 -0.860 0.000 0.832 736 A HN 0.512 nan 8.150 nan 0.000 0.443 737 L N -0.700 120.332 121.223 -0.317 0.000 2.042 737 L HA -0.236 4.119 4.340 0.026 0.000 0.210 737 L C 3.111 179.983 176.870 0.004 0.000 1.076 737 L CA 1.178 55.973 54.840 -0.075 0.000 0.749 737 L CB -0.729 41.310 42.059 -0.033 0.000 0.893 737 L HN 0.462 nan 8.230 nan 0.000 0.432 738 A N 0.025 122.781 122.820 -0.107 0.000 1.865 738 A HA -0.224 4.112 4.320 0.026 0.000 0.217 738 A C 2.397 179.947 177.584 -0.057 0.000 1.191 738 A CA 2.514 54.487 52.037 -0.105 0.000 0.623 738 A CB -1.078 17.826 19.000 -0.160 0.000 0.826 738 A HN 0.426 nan 8.150 nan 0.000 0.444 739 T N -1.193 113.282 114.554 -0.131 0.000 2.684 739 T HA -0.206 4.159 4.350 0.026 0.000 0.267 739 T C 1.648 176.367 174.700 0.031 0.000 1.036 739 T CA 1.366 63.410 62.100 -0.094 0.000 1.148 739 T CB -0.381 68.354 68.868 -0.221 0.000 0.863 739 T HN 0.632 nan 8.240 nan 0.000 0.436 740 W N 1.736 123.055 121.300 0.032 0.000 2.335 740 W HA -0.093 4.582 4.660 0.025 0.000 0.311 740 W C 2.737 179.335 176.519 0.132 0.000 1.213 740 W CA 0.951 58.343 57.345 0.077 0.000 1.274 740 W CB -1.701 27.786 29.460 0.046 0.000 1.148 740 W HN 0.284 nan 8.180 nan 0.000 0.498 741 T N 1.077 115.863 114.554 0.386 0.000 2.684 741 T HA -0.190 4.176 4.350 0.026 0.000 0.267 741 T C 1.926 176.703 174.700 0.127 0.000 1.036 741 T CA 1.875 64.107 62.100 0.220 0.000 1.148 741 T CB -0.504 68.454 68.868 0.150 0.000 0.863 741 T HN 0.021 nan 8.240 nan 0.000 0.436 742 I N 0.675 121.324 120.570 0.131 0.000 2.252 742 I HA -0.166 4.020 4.170 0.026 0.000 0.245 742 I C 2.972 179.180 176.117 0.152 0.000 1.102 742 I CA 1.012 62.400 61.300 0.148 0.000 1.385 742 I CB -0.369 37.705 38.000 0.122 0.000 1.064 742 I HN 0.156 nan 8.210 nan 0.000 0.414 743 Q N 0.785 120.674 119.800 0.149 0.000 2.030 743 Q HA -0.177 4.178 4.340 0.026 0.000 0.204 743 Q C 2.348 178.394 176.000 0.076 0.000 0.986 743 Q CA 2.071 57.951 55.803 0.130 0.000 0.843 743 Q CB -0.905 27.917 28.738 0.140 0.000 0.904 743 Q HN 0.600 nan 8.270 nan 0.000 0.420 744 G N 0.546 109.383 108.800 0.061 0.000 2.469 744 G HA2 -0.255 3.720 3.960 0.026 0.000 0.219 744 G HA3 -0.255 3.720 3.960 0.026 0.000 0.219 744 G C 1.537 176.350 174.900 -0.145 0.000 1.150 744 G CA 1.586 46.658 45.100 -0.047 0.000 0.763 744 G HN 0.487 nan 8.290 nan 0.000 0.561 745 A N 1.042 123.795 122.820 -0.111 0.000 1.898 745 A HA 0.315 4.650 4.320 0.026 0.000 0.216 745 A C 2.838 180.435 177.584 0.023 0.000 1.181 745 A CA 2.205 54.141 52.037 -0.168 0.000 0.620 745 A CB -0.790 17.981 19.000 -0.382 0.000 0.819 745 A HN 0.825 nan 8.150 nan 0.000 0.442 746 A N 0.487 123.418 122.820 0.186 0.000 1.877 746 A HA -0.211 4.125 4.320 0.026 0.000 0.216 746 A C 1.909 179.477 177.584 -0.026 0.000 1.186 746 A CA 1.870 54.008 52.037 0.168 0.000 0.620 746 A CB -0.651 18.490 19.000 0.235 0.000 0.822 746 A HN 0.544 nan 8.150 nan 0.000 0.443 747 N N 0.524 119.194 118.700 -0.050 0.000 2.166 747 N HA -0.080 4.675 4.740 0.026 0.000 0.186 747 N C 1.769 177.179 175.510 -0.167 0.000 1.019 747 N CA 1.497 54.486 53.050 -0.102 0.000 0.856 747 N CB -0.631 37.802 38.487 -0.090 0.000 0.993 747 N HN 0.469 nan 8.380 nan 0.000 0.426 748 A N 0.182 122.859 122.820 -0.238 0.000 2.070 748 A HA -0.049 4.287 4.320 0.026 0.000 0.220 748 A C 2.078 179.541 177.584 -0.203 0.000 1.159 748 A CA 0.848 52.698 52.037 -0.313 0.000 0.656 748 A CB -0.308 18.250 19.000 -0.737 0.000 0.800 748 A HN 0.211 nan 8.150 nan 0.000 0.453 749 L N -0.301 120.811 121.223 -0.186 0.000 2.463 749 L HA 0.068 4.424 4.340 0.026 0.000 0.219 749 L C 2.509 179.245 176.870 -0.224 0.000 1.088 749 L CA 1.628 56.346 54.840 -0.203 0.000 0.849 749 L CB -0.163 41.735 42.059 -0.268 0.000 1.012 749 L HN 0.428 nan 8.230 nan 0.000 0.468 750 S N -1.128 114.453 115.700 -0.199 0.000 2.474 750 S HA 0.207 4.692 4.470 0.026 0.000 0.235 750 S C 1.416 175.882 174.600 -0.223 0.000 0.997 750 S CA 0.630 58.714 58.200 -0.193 0.000 0.949 750 S CB -0.558 62.548 63.200 -0.156 0.000 0.766 750 S HN 0.706 nan 8.310 nan 0.000 0.517 751 G N 1.554 110.212 108.800 -0.236 0.000 2.669 751 G HA2 -0.202 3.773 3.960 0.026 0.000 0.250 751 G HA3 -0.202 3.773 3.960 0.026 0.000 0.250 751 G C -1.092 173.593 174.900 -0.358 0.000 1.247 751 G CA -0.009 44.926 45.100 -0.276 0.000 0.958 751 G HN 0.483 nan 8.290 nan 0.000 0.559 752 D N 1.677 121.760 120.400 -0.528 0.000 2.350 752 D HA 0.359 5.014 4.640 0.026 0.000 0.249 752 D C 2.006 177.834 176.300 -0.786 0.000 1.119 752 D CA 0.430 53.891 54.000 -0.898 0.000 0.886 752 D CB 1.567 41.379 40.800 -1.647 0.000 1.195 752 D HN 0.987 nan 8.370 nan 0.000 0.437 753 V N 1.049 120.621 119.914 -0.570 0.000 2.688 753 V HA -0.184 3.952 4.120 0.026 0.000 0.256 753 V C 1.511 177.551 176.094 -0.090 0.000 1.084 753 V CA 1.027 63.190 62.300 -0.227 0.000 1.103 753 V CB -1.131 30.653 31.823 -0.065 0.000 0.688 753 V HN 0.706 nan 8.190 nan 0.000 0.480 754 W N 0.259 121.540 121.300 -0.031 0.000 3.180 754 W HA 0.424 5.099 4.660 0.025 0.000 0.254 754 W C -0.137 176.367 176.519 -0.026 0.000 1.318 754 W CA -0.474 56.855 57.345 -0.026 0.000 1.608 754 W CB -0.635 28.811 29.460 -0.023 0.000 1.124 754 W HN 0.096 nan 8.180 nan 0.000 0.694 755 D N 2.277 122.561 120.400 -0.193 0.000 2.467 755 D HA 0.419 5.075 4.640 0.026 0.000 0.220 755 D C -0.001 176.250 176.300 -0.083 0.000 1.103 755 D CA 0.060 53.990 54.000 -0.116 0.000 0.886 755 D CB 0.861 41.528 40.800 -0.222 0.000 1.025 755 D HN 0.142 nan 8.370 nan 0.000 0.514 756 I N 0.000 120.558 120.570 -0.019 0.000 2.984 756 I HA 0.000 4.186 4.170 0.026 0.000 0.288 756 I CA 0.000 61.290 61.300 -0.017 0.000 1.566 756 I CB 0.000 37.989 38.000 -0.019 0.000 1.214 756 I HN 0.000 nan 8.210 nan 0.000 0.494