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 2odp_1_A DATA FIRST_RESID 224 DATA SEQUENCE KIQIQRSGHL NLYLLLDASQ SVSENDFLIF KESASLMVDR IFSFEINVSV DATA SEQUENCE AIITFASEPK VLMSVLNDNS RDMTEVISSL ENANYKDHEN GTGTNTYAAL DATA SEQUENCE NSVYLMMNNQ MRLLGMETMA WQEIRHAIIL LTDGKSNMGG SPKTAVDHIR DATA SEQUENCE EILNINQKRN DYLDIYAIGV GKLDVDWREL NELGSKKDGE RHAFILQDTK DATA SEQUENCE ALHQVFEHML DVSKLTDTIc GVGNMSANAS DQERTPWHVT IKPXXXXTcR DATA SEQUENCE GALISDQWVL TAAHcFXXXX XXXXWRVNVG DPKSQWGKEF LIEKAVISPG DATA SEQUENCE FDVFAKKNQG ILEFYGDDIA LLKLAQKVKM STHARPIcLP cTMEANLALR DATA SEQUENCE RPQGSTcRDH ENELLNKQSV PAHFVALNGS KLNINLKMGV EWTScAEVVS DATA SEQUENCE QEKTMFPNLT DVREVVTDQF LcSGTQEDES PcKGESGGAV FLERRFRFFQ DATA SEQUENCE VGLVSWGLYN PcLXXXXXNS RKRAPRSKVP PPRDFHINLF RMQPWLRQHL DATA SEQUENCE GDVLNFL 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 224 K HA 0.000 nan 4.320 nan 0.000 0.191 224 K C 0.000 176.647 176.600 0.078 0.000 0.988 224 K CA 0.000 56.355 56.287 0.113 0.000 0.838 224 K CB 0.000 32.498 32.500 -0.003 0.000 1.064 225 I N 2.915 123.480 120.570 -0.007 0.000 2.363 225 I HA 0.077 4.247 4.170 -0.001 0.000 0.292 225 I C 0.132 176.132 176.117 -0.196 0.000 1.075 225 I CA -0.102 61.145 61.300 -0.089 0.000 1.333 225 I CB 0.664 38.567 38.000 -0.162 0.000 1.415 225 I HN 0.266 nan 8.210 nan 0.000 0.502 226 Q N 6.035 125.726 119.800 -0.183 0.000 2.267 226 Q HA 0.428 4.767 4.340 -0.001 0.000 0.255 226 Q C -0.707 175.127 176.000 -0.276 0.000 0.923 226 Q CA -0.415 55.254 55.803 -0.223 0.000 0.925 226 Q CB 2.028 30.648 28.738 -0.196 0.000 1.195 226 Q HN 0.482 nan 8.270 nan 0.000 0.417 227 I N 4.260 124.629 120.570 -0.334 0.000 2.359 227 I HA 0.213 4.382 4.170 -0.001 0.000 0.284 227 I C -0.145 175.804 176.117 -0.280 0.000 1.018 227 I CA -0.110 60.950 61.300 -0.399 0.000 1.173 227 I CB 0.517 38.076 38.000 -0.734 0.000 1.326 227 I HN 0.745 nan 8.210 nan 0.000 0.462 228 Q N 5.290 124.966 119.800 -0.206 0.000 2.630 228 Q HA 0.590 4.930 4.340 -0.001 0.000 0.295 228 Q C -0.327 175.611 176.000 -0.105 0.000 0.944 228 Q CA -0.955 54.764 55.803 -0.140 0.000 0.766 228 Q CB 1.893 30.552 28.738 -0.131 0.000 1.471 228 Q HN 0.166 nan 8.270 nan 0.000 0.416 229 R N 0.371 120.830 120.500 -0.067 0.000 2.100 229 R HA 0.095 4.435 4.340 -0.001 0.000 0.220 229 R C 0.735 177.013 176.300 -0.036 0.000 1.091 229 R CA 1.131 57.206 56.100 -0.042 0.000 0.986 229 R CB -0.202 30.085 30.300 -0.020 0.000 0.888 229 R HN 0.819 nan 8.270 nan 0.000 0.444 230 S N -0.015 115.661 115.700 -0.039 0.000 2.548 230 S HA 0.531 5.000 4.470 -0.001 0.000 0.277 230 S C 0.787 175.368 174.600 -0.032 0.000 1.315 230 S CA 0.082 58.268 58.200 -0.023 0.000 1.050 230 S CB 1.646 64.837 63.200 -0.015 0.000 0.918 230 S HN 0.588 nan 8.310 nan 0.000 0.497 231 G N 1.639 110.440 108.800 0.001 0.000 2.527 231 G HA2 -0.037 3.922 3.960 -0.001 0.000 0.227 231 G HA3 -0.037 3.922 3.960 -0.001 0.000 0.227 231 G C -0.654 174.275 174.900 0.048 0.000 1.291 231 G CA 0.063 45.175 45.100 0.019 0.000 0.904 231 G HN 1.440 nan 8.290 nan 0.000 0.577 232 H N -1.680 117.330 119.070 -0.100 0.000 2.996 232 H HA 0.670 5.226 4.556 -0.001 0.000 0.368 232 H C -1.213 174.005 175.328 -0.183 0.000 1.185 232 H CA -0.498 55.477 56.048 -0.120 0.000 1.160 232 H CB 1.695 31.400 29.762 -0.094 0.000 1.820 232 H HN 0.978 nan 8.280 nan 0.000 0.547 233 L N 3.605 124.571 121.223 -0.429 0.000 2.325 233 L HA 0.520 4.859 4.340 -0.001 0.000 0.281 233 L C -1.302 175.417 176.870 -0.252 0.000 1.004 233 L CA -0.486 54.171 54.840 -0.306 0.000 0.823 233 L CB 1.150 43.024 42.059 -0.309 0.000 1.236 233 L HN 0.620 nan 8.230 nan 0.000 0.415 234 N N 4.651 123.226 118.700 -0.209 0.000 2.425 234 N HA 0.481 5.221 4.740 -0.001 0.000 0.268 234 N C -1.250 174.074 175.510 -0.311 0.000 0.991 234 N CA -0.250 52.635 53.050 -0.275 0.000 0.931 234 N CB 1.756 40.070 38.487 -0.289 0.000 1.130 234 N HN 0.565 nan 8.380 nan 0.000 0.493 235 L N 3.658 124.683 121.223 -0.331 0.000 2.296 235 L HA 0.502 4.842 4.340 -0.001 0.000 0.286 235 L C -1.596 175.141 176.870 -0.222 0.000 1.023 235 L CA -0.607 54.143 54.840 -0.150 0.000 0.812 235 L CB 0.391 42.417 42.059 -0.055 0.000 1.223 235 L HN 0.392 nan 8.230 nan 0.000 0.421 236 Y N 5.660 126.032 120.300 0.120 0.000 2.328 236 Y HA 0.544 5.094 4.550 -0.001 0.000 0.333 236 Y C -0.537 175.427 175.900 0.107 0.000 0.958 236 Y CA -0.876 57.294 58.100 0.117 0.000 1.167 236 Y CB 1.164 39.695 38.460 0.119 0.000 1.151 236 Y HN 0.369 nan 8.280 nan 0.000 0.470 237 L N 5.540 126.892 121.223 0.215 0.000 2.262 237 L HA 0.412 4.752 4.340 -0.001 0.000 0.288 237 L C -1.090 175.886 176.870 0.177 0.000 1.035 237 L CA -0.720 54.214 54.840 0.157 0.000 0.820 237 L CB 0.791 42.907 42.059 0.095 0.000 1.204 237 L HN 0.451 nan 8.230 nan 0.000 0.424 238 L N 5.599 126.931 121.223 0.181 0.000 2.277 238 L HA 0.436 4.776 4.340 -0.001 0.000 0.284 238 L C -0.228 176.833 176.870 0.318 0.000 1.028 238 L CA 0.086 55.082 54.840 0.260 0.000 0.835 238 L CB 1.233 43.390 42.059 0.164 0.000 1.215 238 L HN 0.412 nan 8.230 nan 0.000 0.425 239 L N 2.830 124.245 121.223 0.320 0.000 2.280 239 L HA 0.370 4.709 4.340 -0.001 0.000 0.287 239 L C -0.091 176.826 176.870 0.079 0.000 1.023 239 L CA -0.705 54.248 54.840 0.188 0.000 0.819 239 L CB 1.592 43.761 42.059 0.184 0.000 1.212 239 L HN 0.465 nan 8.230 nan 0.000 0.420 240 D N 3.300 123.594 120.400 -0.178 0.000 2.358 240 D HA 0.233 4.873 4.640 -0.001 0.000 0.258 240 D C 0.323 176.612 176.300 -0.019 0.000 1.223 240 D CA 0.048 53.625 54.000 -0.706 0.000 0.886 240 D CB 1.732 42.342 40.800 -0.318 0.000 1.120 240 D HN 0.643 nan 8.370 nan 0.000 0.482 241 A N 3.303 125.899 122.820 -0.374 0.000 2.594 241 A HA 0.239 4.558 4.320 -0.001 0.000 0.287 241 A C 0.822 178.074 177.584 -0.553 0.000 1.227 241 A CA -0.316 51.454 52.037 -0.445 0.000 0.952 241 A CB -0.273 18.276 19.000 -0.751 0.000 1.161 241 A HN 0.504 nan 8.150 nan 0.000 0.524 242 S N -1.156 114.341 115.700 -0.338 0.000 2.608 242 S HA 0.163 4.632 4.470 -0.001 0.000 0.261 242 S C 0.997 175.561 174.600 -0.060 0.000 1.314 242 S CA 0.324 58.401 58.200 -0.205 0.000 0.992 242 S CB 0.792 63.920 63.200 -0.121 0.000 0.935 242 S HN 0.361 nan 8.310 nan 0.000 0.564 243 Q N 1.149 120.939 119.800 -0.017 0.000 2.181 243 Q HA -0.116 4.224 4.340 -0.001 0.000 0.205 243 Q C 2.190 178.245 176.000 0.092 0.000 0.980 243 Q CA 2.104 57.948 55.803 0.068 0.000 0.862 243 Q CB -0.660 28.104 28.738 0.043 0.000 0.905 243 Q HN 0.964 nan 8.270 nan 0.000 0.429 244 S N -1.838 113.904 115.700 0.070 0.000 2.500 244 S HA -0.019 4.450 4.470 -0.001 0.000 0.239 244 S C 0.533 175.185 174.600 0.087 0.000 0.989 244 S CA 0.329 58.574 58.200 0.074 0.000 0.951 244 S CB 0.017 63.263 63.200 0.076 0.000 0.759 244 S HN 0.082 nan 8.310 nan 0.000 0.523 245 V N 3.410 123.394 119.914 0.117 0.000 2.347 245 V HA 0.456 4.575 4.120 -0.001 0.000 0.280 245 V C 0.613 176.763 176.094 0.092 0.000 1.021 245 V CA -0.537 61.824 62.300 0.102 0.000 0.847 245 V CB 1.025 32.954 31.823 0.177 0.000 0.990 245 V HN 0.588 nan 8.190 nan 0.000 0.444 246 S N 3.585 119.251 115.700 -0.056 0.000 2.596 246 S HA 0.185 4.655 4.470 -0.001 0.000 0.260 246 S C 1.000 175.328 174.600 -0.453 0.000 1.336 246 S CA -0.264 57.821 58.200 -0.192 0.000 0.993 246 S CB 0.767 63.877 63.200 -0.149 0.000 0.923 246 S HN 0.722 nan 8.310 nan 0.000 0.567 247 E N 0.926 120.682 120.200 -0.739 0.000 2.160 247 E HA -0.189 4.161 4.350 -0.001 0.000 0.195 247 E C 1.460 177.881 176.600 -0.299 0.000 0.991 247 E CA 1.173 57.105 56.400 -0.780 0.000 0.810 247 E CB -0.260 29.092 29.700 -0.581 0.000 0.742 247 E HN 0.597 nan 8.360 nan 0.000 0.466 248 N N 1.002 119.567 118.700 -0.225 0.000 2.171 248 N HA -0.111 4.628 4.740 -0.001 0.000 0.184 248 N C 1.334 176.746 175.510 -0.164 0.000 1.021 248 N CA 0.868 53.832 53.050 -0.143 0.000 0.854 248 N CB -0.275 38.145 38.487 -0.112 0.000 0.994 248 N HN 0.160 nan 8.380 nan 0.000 0.426 249 D N 0.453 120.721 120.400 -0.221 0.000 2.116 249 D HA -0.177 4.463 4.640 -0.001 0.000 0.193 249 D C 1.743 177.684 176.300 -0.598 0.000 0.998 249 D CA 0.710 54.478 54.000 -0.386 0.000 0.836 249 D CB -0.611 39.948 40.800 -0.402 0.000 0.951 249 D HN 0.239 nan 8.370 nan 0.000 0.449 250 F N 1.125 120.763 119.950 -0.519 0.000 2.161 250 F HA -0.147 4.379 4.527 -0.001 0.000 0.300 250 F C 2.263 177.996 175.800 -0.113 0.000 1.089 250 F CA 0.928 58.749 58.000 -0.297 0.000 1.282 250 F CB -0.078 38.935 39.000 0.021 0.000 1.010 250 F HN -0.119 nan 8.300 nan 0.000 0.485 251 L N -0.163 121.033 121.223 -0.045 0.000 2.046 251 L HA -0.282 4.058 4.340 -0.001 0.000 0.208 251 L C 2.388 179.200 176.870 -0.096 0.000 1.077 251 L CA 0.799 55.601 54.840 -0.064 0.000 0.747 251 L CB -0.643 41.400 42.059 -0.026 0.000 0.896 251 L HN 0.186 nan 8.230 nan 0.000 0.432 252 I N -0.613 119.888 120.570 -0.115 0.000 2.226 252 I HA -0.315 3.855 4.170 -0.001 0.000 0.245 252 I C 2.553 178.710 176.117 0.067 0.000 1.100 252 I CA 1.828 63.102 61.300 -0.044 0.000 1.374 252 I CB -1.032 36.936 38.000 -0.053 0.000 1.057 252 I HN 0.234 nan 8.210 nan 0.000 0.413 253 F N 1.453 121.331 119.950 -0.119 0.000 2.091 253 F HA -0.279 4.248 4.527 -0.000 0.000 0.299 253 F C 2.660 178.321 175.800 -0.230 0.000 1.103 253 F CA 1.045 58.941 58.000 -0.173 0.000 1.228 253 F CB -0.379 38.473 39.000 -0.245 0.000 0.984 253 F HN 0.070 nan 8.300 nan 0.000 0.477 254 K N 0.234 120.554 120.400 -0.133 0.000 2.097 254 K HA -0.224 4.096 4.320 -0.001 0.000 0.206 254 K C 1.888 178.453 176.600 -0.059 0.000 1.049 254 K CA 1.491 57.689 56.287 -0.148 0.000 0.933 254 K CB -0.279 32.109 32.500 -0.187 0.000 0.717 254 K HN 0.292 nan 8.250 nan 0.000 0.442 255 E N 0.591 120.769 120.200 -0.038 0.000 2.051 255 E HA -0.170 4.179 4.350 -0.001 0.000 0.192 255 E C 1.818 178.407 176.600 -0.019 0.000 0.991 255 E CA 1.412 57.800 56.400 -0.021 0.000 0.799 255 E CB 0.129 29.821 29.700 -0.014 0.000 0.748 255 E HN 0.110 nan 8.360 nan 0.000 0.449 256 S N 0.445 116.141 115.700 -0.006 0.000 2.356 256 S HA -0.160 4.309 4.470 -0.001 0.000 0.223 256 S C 2.045 176.587 174.600 -0.095 0.000 1.032 256 S CA 1.017 59.197 58.200 -0.034 0.000 1.005 256 S CB -0.314 62.891 63.200 0.007 0.000 0.867 256 S HN 0.493 nan 8.310 nan 0.000 0.449 257 A N 1.522 124.299 122.820 -0.071 0.000 1.883 257 A HA -0.117 4.203 4.320 -0.001 0.000 0.217 257 A C 2.344 179.890 177.584 -0.062 0.000 1.186 257 A CA 2.029 54.019 52.037 -0.079 0.000 0.624 257 A CB -1.034 17.940 19.000 -0.044 0.000 0.822 257 A HN 0.456 nan 8.150 nan 0.000 0.444 258 S N -0.435 115.245 115.700 -0.034 0.000 2.359 258 S HA -0.181 4.288 4.470 -0.001 0.000 0.224 258 S C 1.909 176.515 174.600 0.010 0.000 1.035 258 S CA 1.476 59.673 58.200 -0.005 0.000 1.018 258 S CB -0.570 62.626 63.200 -0.005 0.000 0.876 258 S HN 0.564 nan 8.310 nan 0.000 0.448 259 L N 0.879 122.095 121.223 -0.012 0.000 2.042 259 L HA -0.112 4.228 4.340 -0.001 0.000 0.210 259 L C 2.298 179.126 176.870 -0.071 0.000 1.076 259 L CA 1.510 56.368 54.840 0.029 0.000 0.749 259 L CB -0.263 41.804 42.059 0.014 0.000 0.893 259 L HN 0.329 nan 8.230 nan 0.000 0.432 260 M N -1.608 117.816 119.600 -0.292 0.000 2.175 260 M HA -0.177 4.302 4.480 -0.001 0.000 0.264 260 M C 2.132 178.340 176.300 -0.152 0.000 1.063 260 M CA 1.303 56.226 55.300 -0.629 0.000 1.119 260 M CB -0.264 31.777 32.600 -0.932 0.000 1.377 260 M HN 0.173 nan 8.290 nan 0.000 0.415 261 V N 0.620 120.529 119.914 -0.007 0.000 2.261 261 V HA -0.297 3.822 4.120 -0.001 0.000 0.246 261 V C 2.090 178.370 176.094 0.311 0.000 1.047 261 V CA 2.230 64.644 62.300 0.189 0.000 1.015 261 V CB -0.724 31.205 31.823 0.176 0.000 0.642 261 V HN 0.455 nan 8.190 nan 0.000 0.446 262 D N -0.042 120.497 120.400 0.232 0.000 2.104 262 D HA -0.226 4.413 4.640 -0.001 0.000 0.194 262 D C 2.276 178.794 176.300 0.362 0.000 0.994 262 D CA 1.581 55.770 54.000 0.316 0.000 0.830 262 D CB -0.123 40.893 40.800 0.360 0.000 0.959 262 D HN 0.207 nan 8.370 nan 0.000 0.452 263 R N 0.129 120.737 120.500 0.180 0.000 2.066 263 R HA -0.006 4.333 4.340 -0.001 0.000 0.232 263 R C 2.380 178.781 176.300 0.168 0.000 1.131 263 R CA 0.883 56.914 56.100 -0.115 0.000 0.955 263 R CB -1.181 29.028 30.300 -0.151 0.000 0.851 263 R HN 0.261 nan 8.270 nan 0.000 0.432 264 I N -0.131 120.606 120.570 0.278 0.000 2.208 264 I HA -0.197 3.972 4.170 -0.001 0.000 0.245 264 I C 1.466 177.655 176.117 0.119 0.000 1.097 264 I CA 1.414 62.842 61.300 0.213 0.000 1.363 264 I CB -0.219 37.838 38.000 0.094 0.000 1.051 264 I HN 0.133 nan 8.210 nan 0.000 0.413 265 F N 0.046 120.074 119.950 0.129 0.000 2.699 265 F HA -0.097 4.430 4.527 -0.000 0.000 0.298 265 F C 2.607 178.445 175.800 0.064 0.000 1.154 265 F CA 0.966 59.020 58.000 0.091 0.000 1.457 265 F CB -0.654 38.386 39.000 0.066 0.000 1.106 265 F HN 0.174 nan 8.300 nan 0.000 0.585 266 S N -1.182 114.601 115.700 0.139 0.000 2.522 266 S HA -0.105 4.364 4.470 -0.001 0.000 0.227 266 S C 1.372 175.827 174.600 -0.242 0.000 0.986 266 S CA 0.521 58.676 58.200 -0.074 0.000 0.929 266 S CB -0.864 62.225 63.200 -0.186 0.000 0.769 266 S HN 0.295 nan 8.310 nan 0.000 0.529 267 F N 1.641 121.607 119.950 0.028 0.000 2.727 267 F HA 0.380 4.907 4.527 -0.000 0.000 0.302 267 F C 0.792 176.586 175.800 -0.010 0.000 1.097 267 F CA -0.388 57.605 58.000 -0.012 0.000 1.330 267 F CB -0.518 38.444 39.000 -0.063 0.000 1.084 267 F HN 0.153 nan 8.300 nan 0.000 0.578 268 E N 0.667 120.953 120.200 0.143 0.000 2.586 268 E HA -0.249 4.100 4.350 -0.001 0.000 0.259 268 E C 0.006 176.645 176.600 0.065 0.000 1.107 268 E CA 0.475 56.937 56.400 0.104 0.000 0.754 268 E CB -2.092 27.657 29.700 0.082 0.000 1.335 268 E HN 0.596 nan 8.360 nan 0.000 0.411 269 I N -2.955 117.633 120.570 0.030 0.000 2.918 269 I HA 0.325 4.495 4.170 -0.001 0.000 0.316 269 I C 0.336 176.378 176.117 -0.125 0.000 1.001 269 I CA -0.670 60.597 61.300 -0.055 0.000 1.142 269 I CB 0.868 38.803 38.000 -0.108 0.000 1.356 269 I HN -0.133 nan 8.210 nan 0.000 0.524 270 N N 1.647 120.241 118.700 -0.177 0.000 2.415 270 N HA 0.471 5.210 4.740 -0.001 0.000 0.246 270 N C -1.208 173.914 175.510 -0.646 0.000 1.078 270 N CA -0.294 52.603 53.050 -0.256 0.000 0.942 270 N CB 1.432 39.854 38.487 -0.109 0.000 1.140 270 N HN 0.472 nan 8.380 nan 0.000 0.501 271 V N 1.932 121.512 119.914 -0.558 0.000 2.760 271 V HA 0.509 4.628 4.120 -0.001 0.000 0.309 271 V C -1.008 174.916 176.094 -0.283 0.000 1.077 271 V CA -0.376 61.567 62.300 -0.595 0.000 0.910 271 V CB 2.152 33.609 31.823 -0.609 0.000 1.008 271 V HN 0.527 nan 8.190 nan 0.000 0.424 272 S N 4.572 120.204 115.700 -0.113 0.000 2.503 272 S HA 0.790 5.259 4.470 -0.001 0.000 0.301 272 S C -0.859 173.711 174.600 -0.050 0.000 1.087 272 S CA -0.583 57.653 58.200 0.061 0.000 1.042 272 S CB 1.846 65.154 63.200 0.180 0.000 1.043 272 S HN 0.701 nan 8.310 nan 0.000 0.489 273 V N 2.234 122.169 119.914 0.036 0.000 2.444 273 V HA 0.721 4.840 4.120 -0.001 0.000 0.294 273 V C 0.143 176.246 176.094 0.015 0.000 1.022 273 V CA -0.741 61.565 62.300 0.009 0.000 0.850 273 V CB 1.252 33.153 31.823 0.129 0.000 0.992 273 V HN 1.013 nan 8.190 nan 0.000 0.426 274 A N 6.477 129.269 122.820 -0.047 0.000 2.304 274 A HA 0.877 5.196 4.320 -0.001 0.000 0.301 274 A C -0.592 177.068 177.584 0.127 0.000 1.132 274 A CA -0.461 51.618 52.037 0.070 0.000 0.819 274 A CB 0.564 19.655 19.000 0.151 0.000 1.094 274 A HN 0.640 nan 8.150 nan 0.000 0.492 275 I N 2.654 123.310 120.570 0.143 0.000 2.447 275 I HA 0.439 4.608 4.170 -0.001 0.000 0.287 275 I C -0.730 175.496 176.117 0.181 0.000 1.023 275 I CA -0.076 61.316 61.300 0.154 0.000 1.083 275 I CB 1.062 39.140 38.000 0.130 0.000 1.245 275 I HN 0.494 nan 8.210 nan 0.000 0.434 276 I N 5.168 125.866 120.570 0.212 0.000 2.569 276 I HA 0.324 4.494 4.170 -0.001 0.000 0.290 276 I C 0.114 176.416 176.117 0.308 0.000 1.088 276 I CA -0.482 60.963 61.300 0.241 0.000 1.047 276 I CB 2.695 40.827 38.000 0.220 0.000 1.237 276 I HN 0.580 nan 8.210 nan 0.000 0.421 277 T N 2.749 117.511 114.554 0.346 0.000 2.925 277 T HA 0.807 5.157 4.350 -0.001 0.000 0.285 277 T C -0.694 174.187 174.700 0.301 0.000 1.021 277 T CA -0.622 61.703 62.100 0.374 0.000 1.042 277 T CB 1.756 70.908 68.868 0.474 0.000 1.037 277 T HN 0.432 nan 8.240 nan 0.000 0.481 278 F N -0.328 119.531 119.950 -0.151 0.000 2.608 278 F HA 0.893 5.419 4.527 -0.001 0.000 0.309 278 F C -0.316 175.209 175.800 -0.458 0.000 1.103 278 F CA -0.955 56.886 58.000 -0.266 0.000 0.954 278 F CB 1.023 39.996 39.000 -0.044 0.000 1.267 278 F HN 0.923 nan 8.300 nan 0.000 0.444 279 A N 1.824 124.453 122.820 -0.319 0.000 2.254 279 A HA 0.441 4.761 4.320 -0.001 0.000 0.186 279 A C 1.163 178.800 177.584 0.089 0.000 1.413 279 A CA 0.440 52.363 52.037 -0.191 0.000 1.742 279 A CB -0.317 18.509 19.000 -0.291 0.000 2.016 279 A HN 0.694 nan 8.150 nan 0.000 0.796 280 S N 0.531 116.284 115.700 0.088 0.000 2.399 280 S HA 0.029 4.499 4.470 -0.001 0.000 0.231 280 S C 0.454 175.144 174.600 0.150 0.000 1.022 280 S CA 1.389 59.659 58.200 0.116 0.000 0.983 280 S CB -0.217 63.036 63.200 0.089 0.000 0.803 280 S HN 0.560 nan 8.310 nan 0.000 0.480 281 E N -0.023 120.292 120.200 0.192 0.000 2.367 281 E HA 0.358 4.707 4.350 -0.001 0.000 0.273 281 E C -2.943 173.826 176.600 0.282 0.000 0.903 281 E CA -2.429 54.089 56.400 0.196 0.000 0.764 281 E CB 2.217 32.008 29.700 0.152 0.000 1.252 281 E HN 0.026 nan 8.360 nan 0.000 0.446 282 P HA 0.179 nan 4.420 nan 0.000 0.282 282 P C -1.222 176.240 177.300 0.270 0.000 1.249 282 P CA -0.433 62.833 63.100 0.277 0.000 0.806 282 P CB 1.042 32.834 31.700 0.153 0.000 0.984 283 K N 1.840 122.430 120.400 0.316 0.000 2.463 283 K HA 0.362 4.681 4.320 -0.001 0.000 0.255 283 K C -1.210 175.502 176.600 0.188 0.000 0.942 283 K CA -0.841 55.569 56.287 0.204 0.000 0.814 283 K CB 1.521 34.110 32.500 0.148 0.000 1.122 283 K HN 0.155 nan 8.250 nan 0.000 0.425 284 V N 6.993 126.991 119.914 0.139 0.000 2.389 284 V HA 0.105 4.225 4.120 -0.001 0.000 0.264 284 V C 1.143 177.309 176.094 0.120 0.000 1.049 284 V CA -0.145 62.236 62.300 0.136 0.000 0.932 284 V CB 0.870 32.762 31.823 0.115 0.000 1.011 284 V HN 0.815 nan 8.190 nan 0.000 0.475 285 L N 3.889 125.192 121.223 0.134 0.000 2.354 285 L HA 0.325 4.665 4.340 -0.001 0.000 0.212 285 L C 0.572 177.501 176.870 0.099 0.000 1.091 285 L CA 0.688 55.596 54.840 0.114 0.000 0.828 285 L CB 0.062 42.199 42.059 0.131 0.000 0.973 285 L HN 0.597 nan 8.230 nan 0.000 0.461 286 M N -0.553 119.111 119.600 0.108 0.000 2.322 286 M HA 0.362 4.842 4.480 -0.001 0.000 0.285 286 M C -0.968 175.397 176.300 0.109 0.000 1.119 286 M CA -0.314 55.045 55.300 0.097 0.000 0.953 286 M CB 2.073 34.729 32.600 0.093 0.000 1.701 286 M HN -0.169 nan 8.290 nan 0.000 0.479 287 S N 2.497 118.257 115.700 0.099 0.000 2.578 287 S HA 0.646 5.116 4.470 -0.001 0.000 0.301 287 S C 0.842 175.500 174.600 0.097 0.000 1.091 287 S CA -0.304 57.963 58.200 0.111 0.000 1.032 287 S CB 1.227 64.486 63.200 0.099 0.000 1.064 287 S HN 1.196 nan 8.310 nan 0.000 0.508 288 V N 3.575 123.553 119.914 0.107 0.000 3.141 288 V HA 0.044 4.164 4.120 -0.001 0.000 0.265 288 V C 1.709 177.857 176.094 0.091 0.000 1.126 288 V CA 0.895 63.246 62.300 0.084 0.000 1.141 288 V CB -0.941 30.923 31.823 0.068 0.000 0.743 288 V HN 0.781 nan 8.190 nan 0.000 0.492 289 L N 0.931 122.209 121.223 0.092 0.000 2.201 289 L HA 0.048 4.388 4.340 -0.001 0.000 0.212 289 L C 1.378 178.281 176.870 0.055 0.000 1.105 289 L CA 1.252 56.133 54.840 0.068 0.000 0.775 289 L CB -1.461 40.632 42.059 0.056 0.000 0.913 289 L HN 0.626 nan 8.230 nan 0.000 0.440 290 N N 0.622 119.359 118.700 0.060 0.000 2.488 290 N HA -0.040 4.699 4.740 -0.001 0.000 0.274 290 N C 0.454 175.999 175.510 0.060 0.000 1.111 290 N CA -0.398 52.685 53.050 0.055 0.000 0.974 290 N CB 1.309 39.831 38.487 0.058 0.000 1.089 290 N HN -0.026 nan 8.380 nan 0.000 0.465 291 D N 2.205 122.636 120.400 0.052 0.000 2.219 291 D HA -0.122 4.518 4.640 -0.001 0.000 0.205 291 D C 0.870 177.210 176.300 0.067 0.000 0.970 291 D CA 0.952 54.987 54.000 0.058 0.000 0.851 291 D CB -0.030 40.798 40.800 0.047 0.000 0.943 291 D HN 0.567 nan 8.370 nan 0.000 0.488 292 N N 0.359 119.093 118.700 0.056 0.000 2.519 292 N HA -0.114 4.625 4.740 -0.001 0.000 0.186 292 N C 1.576 177.131 175.510 0.074 0.000 1.062 292 N CA 0.619 53.701 53.050 0.053 0.000 0.910 292 N CB -0.224 38.287 38.487 0.041 0.000 0.958 292 N HN 0.178 nan 8.380 nan 0.000 0.445 293 S N -0.382 115.374 115.700 0.095 0.000 2.555 293 S HA 0.072 4.541 4.470 -0.001 0.000 0.230 293 S C 1.471 176.193 174.600 0.203 0.000 0.978 293 S CA 0.271 58.546 58.200 0.125 0.000 0.934 293 S CB 0.110 63.370 63.200 0.101 0.000 0.766 293 S HN 0.224 nan 8.310 nan 0.000 0.533 294 R N 0.641 121.259 120.500 0.198 0.000 2.397 294 R HA 0.259 4.599 4.340 -0.001 0.000 0.241 294 R C -0.446 176.023 176.300 0.282 0.000 0.914 294 R CA 0.080 56.348 56.100 0.280 0.000 1.071 294 R CB 0.197 30.624 30.300 0.212 0.000 1.116 294 R HN 0.364 nan 8.270 nan 0.000 0.524 295 D N 1.114 121.586 120.400 0.120 0.000 2.414 295 D HA 0.073 4.713 4.640 -0.001 0.000 0.232 295 D C 0.867 177.008 176.300 -0.265 0.000 1.070 295 D CA -0.202 53.772 54.000 -0.044 0.000 0.839 295 D CB 1.191 41.982 40.800 -0.016 0.000 1.079 295 D HN -0.096 nan 8.370 nan 0.000 0.521 296 M N 2.725 121.905 119.600 -0.701 0.000 2.106 296 M HA -0.226 4.254 4.480 -0.001 0.000 0.259 296 M C 1.158 177.210 176.300 -0.414 0.000 1.068 296 M CA 1.739 56.424 55.300 -1.025 0.000 1.100 296 M CB 0.105 32.007 32.600 -1.164 0.000 1.351 296 M HN 0.345 nan 8.290 nan 0.000 0.404 297 T N 0.160 114.561 114.554 -0.256 0.000 2.777 297 T HA -0.113 4.236 4.350 -0.001 0.000 0.266 297 T C 1.569 176.215 174.700 -0.090 0.000 1.040 297 T CA 1.359 63.375 62.100 -0.140 0.000 1.141 297 T CB -0.352 68.459 68.868 -0.096 0.000 0.868 297 T HN 0.459 nan 8.240 nan 0.000 0.444 298 E N 0.987 121.142 120.200 -0.075 0.000 2.077 298 E HA -0.062 4.288 4.350 -0.001 0.000 0.193 298 E C 2.549 179.142 176.600 -0.011 0.000 0.989 298 E CA 0.705 57.089 56.400 -0.027 0.000 0.800 298 E CB -0.628 29.069 29.700 -0.006 0.000 0.746 298 E HN 0.339 nan 8.360 nan 0.000 0.452 299 V N 2.145 122.044 119.914 -0.025 0.000 2.261 299 V HA -0.239 3.881 4.120 -0.001 0.000 0.246 299 V C 2.431 178.534 176.094 0.015 0.000 1.047 299 V CA 1.319 63.632 62.300 0.022 0.000 1.015 299 V CB -0.402 31.465 31.823 0.073 0.000 0.642 299 V HN 0.212 nan 8.190 nan 0.000 0.446 300 I N 0.074 120.629 120.570 -0.025 0.000 2.361 300 I HA -0.187 3.982 4.170 -0.001 0.000 0.251 300 I C 2.663 178.780 176.117 0.001 0.000 1.133 300 I CA 1.896 63.188 61.300 -0.012 0.000 1.413 300 I CB -1.203 36.774 38.000 -0.039 0.000 1.073 300 I HN 0.390 nan 8.210 nan 0.000 0.424 301 S N 0.862 116.560 115.700 -0.004 0.000 2.357 301 S HA -0.144 4.325 4.470 -0.001 0.000 0.221 301 S C 2.363 176.981 174.600 0.030 0.000 1.031 301 S CA 1.846 60.051 58.200 0.008 0.000 0.982 301 S CB -0.213 62.987 63.200 0.001 0.000 0.853 301 S HN 0.621 nan 8.310 nan 0.000 0.458 302 S N 1.636 117.358 115.700 0.037 0.000 2.383 302 S HA -0.091 4.378 4.470 -0.001 0.000 0.229 302 S C 1.941 176.586 174.600 0.075 0.000 1.030 302 S CA 1.353 59.588 58.200 0.059 0.000 1.002 302 S CB -0.970 62.269 63.200 0.065 0.000 0.829 302 S HN 0.533 nan 8.310 nan 0.000 0.467 303 L N 1.221 122.482 121.223 0.063 0.000 1.989 303 L HA -0.138 4.202 4.340 -0.001 0.000 0.211 303 L C 3.022 179.930 176.870 0.064 0.000 1.071 303 L CA 2.082 56.960 54.840 0.063 0.000 0.749 303 L CB -0.513 41.569 42.059 0.038 0.000 0.890 303 L HN 0.439 nan 8.230 nan 0.000 0.431 304 E N -0.323 119.906 120.200 0.048 0.000 2.106 304 E HA -0.179 4.170 4.350 -0.001 0.000 0.192 304 E C 1.381 178.025 176.600 0.073 0.000 0.984 304 E CA 0.846 57.276 56.400 0.049 0.000 0.806 304 E CB -0.088 29.628 29.700 0.027 0.000 0.750 304 E HN 0.447 nan 8.360 nan 0.000 0.458 305 N N 0.754 119.497 118.700 0.071 0.000 2.575 305 N HA -0.006 4.734 4.740 -0.001 0.000 0.192 305 N C -0.443 175.137 175.510 0.116 0.000 1.200 305 N CA 0.285 53.383 53.050 0.080 0.000 0.897 305 N CB 0.108 38.631 38.487 0.060 0.000 0.990 305 N HN 0.034 nan 8.380 nan 0.000 0.449 306 A N 0.869 123.786 122.820 0.163 0.000 2.310 306 A HA 0.227 4.547 4.320 -0.001 0.000 0.300 306 A C 0.193 177.972 177.584 0.325 0.000 1.269 306 A CA -0.448 51.741 52.037 0.253 0.000 0.909 306 A CB 0.059 19.250 19.000 0.318 0.000 1.144 306 A HN 0.038 nan 8.150 nan 0.000 0.540 307 N N 1.821 120.654 118.700 0.221 0.000 2.419 307 N HA 0.147 4.887 4.740 -0.001 0.000 0.277 307 N C 0.515 176.049 175.510 0.041 0.000 1.006 307 N CA -0.505 52.643 53.050 0.163 0.000 0.923 307 N CB 0.602 39.140 38.487 0.084 0.000 1.140 307 N HN 0.620 nan 8.380 nan 0.000 0.488 308 Y N 4.089 124.232 120.300 -0.262 0.000 2.207 308 Y HA -0.142 4.407 4.550 -0.001 0.000 0.287 308 Y C 1.364 177.117 175.900 -0.245 0.000 1.156 308 Y CA 1.782 59.523 58.100 -0.599 0.000 1.182 308 Y CB 0.337 38.429 38.460 -0.615 0.000 0.979 308 Y HN 0.537 nan 8.280 nan 0.000 0.521 309 K N -0.169 120.247 120.400 0.027 0.000 2.504 309 K HA -0.098 4.222 4.320 -0.001 0.000 0.195 309 K C 0.943 177.486 176.600 -0.095 0.000 1.036 309 K CA 0.852 57.134 56.287 -0.008 0.000 0.984 309 K CB -0.028 32.506 32.500 0.056 0.000 0.788 309 K HN 0.342 nan 8.250 nan 0.000 0.488 310 D N 0.524 120.844 120.400 -0.133 0.000 2.351 310 D HA -0.094 4.545 4.640 -0.001 0.000 0.216 310 D C 0.649 176.714 176.300 -0.391 0.000 0.968 310 D CA 1.156 55.025 54.000 -0.219 0.000 0.899 310 D CB -0.019 40.653 40.800 -0.213 0.000 0.907 310 D HN 0.370 nan 8.370 nan 0.000 0.514 311 H N -0.512 118.431 119.070 -0.212 0.000 2.487 311 H HA 0.110 4.666 4.556 -0.000 0.000 0.290 311 H C 1.498 176.704 175.328 -0.204 0.000 1.081 311 H CA -0.099 55.819 56.048 -0.216 0.000 1.116 311 H CB 0.295 29.874 29.762 -0.306 0.000 1.560 311 H HN 0.269 nan 8.280 nan 0.000 0.548 312 E N 0.354 120.497 120.200 -0.095 0.000 2.204 312 E HA -0.155 4.194 4.350 -0.001 0.000 0.195 312 E C 0.576 177.158 176.600 -0.030 0.000 0.990 312 E CA 0.961 57.324 56.400 -0.060 0.000 0.821 312 E CB 0.073 29.754 29.700 -0.032 0.000 0.750 312 E HN 0.302 nan 8.360 nan 0.000 0.477 313 N N 0.595 119.280 118.700 -0.025 0.000 2.230 313 N HA 0.121 4.860 4.740 -0.001 0.000 0.202 313 N C -0.159 175.355 175.510 0.007 0.000 1.119 313 N CA 0.737 53.782 53.050 -0.008 0.000 0.851 313 N CB 1.543 40.024 38.487 -0.010 0.000 0.990 313 N HN 0.244 nan 8.380 nan 0.000 0.497 314 G N 0.229 109.039 108.800 0.016 0.000 3.317 314 G HA2 0.161 4.120 3.960 -0.001 0.000 0.308 314 G HA3 0.161 4.120 3.960 -0.001 0.000 0.308 314 G C 0.344 175.260 174.900 0.026 0.000 1.535 314 G CA -0.444 44.678 45.100 0.036 0.000 0.788 314 G HN 0.082 nan 8.290 nan 0.000 0.478 315 T N -1.145 113.410 114.554 0.001 0.000 3.163 315 T HA 0.403 4.752 4.350 -0.001 0.000 0.252 315 T C 1.295 175.986 174.700 -0.015 0.000 1.056 315 T CA 0.380 62.460 62.100 -0.032 0.000 0.947 315 T CB 0.837 69.688 68.868 -0.028 0.000 1.016 315 T HN 0.536 nan 8.240 nan 0.000 0.554 316 G N 0.784 109.593 108.800 0.015 0.000 2.588 316 G HA2 0.470 4.430 3.960 -0.001 0.000 0.278 316 G HA3 0.470 4.430 3.960 -0.001 0.000 0.278 316 G C -0.680 174.248 174.900 0.048 0.000 1.307 316 G CA -0.544 44.578 45.100 0.036 0.000 1.016 316 G HN 0.317 nan 8.290 nan 0.000 0.503 317 T N 0.988 115.594 114.554 0.087 0.000 3.064 317 T HA 0.215 4.565 4.350 -0.001 0.000 0.367 317 T C -0.097 174.726 174.700 0.205 0.000 1.202 317 T CA -0.543 61.649 62.100 0.153 0.000 1.133 317 T CB 0.528 69.482 68.868 0.144 0.000 1.074 317 T HN 0.417 nan 8.240 nan 0.000 0.519 318 N N 2.100 120.950 118.700 0.250 0.000 3.105 318 N HA 0.146 4.885 4.740 -0.001 0.000 0.256 318 N C 1.149 176.740 175.510 0.136 0.000 1.174 318 N CA -0.246 52.920 53.050 0.193 0.000 1.030 318 N CB 0.604 39.194 38.487 0.170 0.000 1.305 318 N HN 0.351 nan 8.380 nan 0.000 0.509 319 T N 0.857 115.466 114.554 0.093 0.000 2.821 319 T HA -0.164 4.186 4.350 -0.001 0.000 0.267 319 T C 1.473 176.060 174.700 -0.189 0.000 1.046 319 T CA 0.973 62.976 62.100 -0.162 0.000 1.139 319 T CB -0.354 68.493 68.868 -0.036 0.000 0.871 319 T HN 0.623 nan 8.240 nan 0.000 0.454 320 Y N 2.320 122.554 120.300 -0.110 0.000 2.114 320 Y HA -0.186 4.363 4.550 -0.002 0.000 0.282 320 Y C 2.501 178.343 175.900 -0.097 0.000 1.165 320 Y CA 1.326 59.367 58.100 -0.100 0.000 1.148 320 Y CB -0.645 37.777 38.460 -0.064 0.000 0.972 320 Y HN 0.178 nan 8.280 nan 0.000 0.504 321 A N 0.550 123.291 122.820 -0.133 0.000 1.969 321 A HA -0.042 4.277 4.320 -0.001 0.000 0.218 321 A C 2.399 179.840 177.584 -0.240 0.000 1.169 321 A CA 1.563 53.500 52.037 -0.168 0.000 0.635 321 A CB -1.447 17.603 19.000 0.084 0.000 0.810 321 A HN 0.670 nan 8.150 nan 0.000 0.445 322 A N -0.148 122.488 122.820 -0.307 0.000 1.902 322 A HA -0.070 4.250 4.320 -0.001 0.000 0.217 322 A C 2.149 179.537 177.584 -0.327 0.000 1.181 322 A CA 1.578 53.385 52.037 -0.383 0.000 0.623 322 A CB -0.565 17.830 19.000 -1.009 0.000 0.818 322 A HN 0.468 nan 8.150 nan 0.000 0.443 323 L N -0.759 120.229 121.223 -0.391 0.000 2.109 323 L HA -0.133 4.207 4.340 -0.001 0.000 0.207 323 L C 2.421 179.117 176.870 -0.289 0.000 1.086 323 L CA 1.404 56.056 54.840 -0.314 0.000 0.760 323 L CB -0.456 41.426 42.059 -0.295 0.000 0.910 323 L HN 0.531 nan 8.230 nan 0.000 0.437 324 N N -0.704 117.722 118.700 -0.456 0.000 2.309 324 N HA -0.201 4.538 4.740 -0.001 0.000 0.182 324 N C 1.988 177.460 175.510 -0.065 0.000 1.018 324 N CA 1.226 54.100 53.050 -0.293 0.000 0.876 324 N CB 0.036 38.222 38.487 -0.501 0.000 0.972 324 N HN 0.085 nan 8.380 nan 0.000 0.434 325 S N -1.037 114.608 115.700 -0.091 0.000 2.370 325 S HA -0.096 4.373 4.470 -0.001 0.000 0.226 325 S C 1.813 176.407 174.600 -0.011 0.000 1.033 325 S CA 1.314 59.504 58.200 -0.017 0.000 1.011 325 S CB -0.441 62.761 63.200 0.002 0.000 0.852 325 S HN 0.224 nan 8.310 nan 0.000 0.457 326 V N 0.842 120.717 119.914 -0.066 0.000 2.261 326 V HA -0.158 3.961 4.120 -0.001 0.000 0.246 326 V C 2.020 178.039 176.094 -0.126 0.000 1.047 326 V CA 2.212 64.418 62.300 -0.156 0.000 1.015 326 V CB -1.035 30.592 31.823 -0.327 0.000 0.642 326 V HN 0.696 nan 8.190 nan 0.000 0.446 327 Y N 0.668 120.869 120.300 -0.165 0.000 2.102 327 Y HA -0.294 4.255 4.550 -0.001 0.000 0.280 327 Y C 2.201 178.063 175.900 -0.064 0.000 1.178 327 Y CA 1.904 59.941 58.100 -0.106 0.000 1.146 327 Y CB -0.372 38.041 38.460 -0.078 0.000 0.968 327 Y HN 0.160 nan 8.280 nan 0.000 0.504 328 L N -0.588 120.572 121.223 -0.106 0.000 2.056 328 L HA -0.254 4.085 4.340 -0.001 0.000 0.207 328 L C 2.742 179.519 176.870 -0.155 0.000 1.078 328 L CA 1.734 56.485 54.840 -0.148 0.000 0.749 328 L CB -0.549 41.510 42.059 0.000 0.000 0.901 328 L HN 0.371 nan 8.230 nan 0.000 0.433 329 M N -0.492 119.071 119.600 -0.062 0.000 2.108 329 M HA -0.265 4.215 4.480 -0.001 0.000 0.261 329 M C 2.388 178.698 176.300 0.018 0.000 1.066 329 M CA 1.894 57.209 55.300 0.025 0.000 1.107 329 M CB 0.002 32.690 32.600 0.146 0.000 1.356 329 M HN 0.197 nan 8.290 nan 0.000 0.406 330 M N -0.411 119.167 119.600 -0.037 0.000 2.086 330 M HA -0.231 4.248 4.480 -0.001 0.000 0.261 330 M C 1.820 177.964 176.300 -0.260 0.000 1.067 330 M CA 1.928 57.237 55.300 0.015 0.000 1.116 330 M CB -0.811 31.779 32.600 -0.015 0.000 1.348 330 M HN 0.359 nan 8.290 nan 0.000 0.407 331 N N 0.728 119.157 118.700 -0.451 0.000 2.069 331 N HA -0.160 4.580 4.740 -0.001 0.000 0.191 331 N C 1.197 176.510 175.510 -0.329 0.000 1.031 331 N CA 1.838 54.606 53.050 -0.470 0.000 0.852 331 N CB -0.183 37.973 38.487 -0.551 0.000 1.018 331 N HN 0.360 nan 8.380 nan 0.000 0.423 332 N N -0.630 117.938 118.700 -0.220 0.000 2.120 332 N HA -0.191 4.549 4.740 -0.001 0.000 0.188 332 N C 1.682 177.105 175.510 -0.146 0.000 1.024 332 N CA 0.803 53.767 53.050 -0.143 0.000 0.852 332 N CB -0.101 38.344 38.487 -0.071 0.000 1.003 332 N HN 0.409 nan 8.380 nan 0.000 0.424 333 Q N 0.767 120.491 119.800 -0.126 0.000 2.049 333 Q HA -0.103 4.236 4.340 -0.001 0.000 0.198 333 Q C 2.185 178.023 176.000 -0.269 0.000 0.971 333 Q CA 0.970 56.734 55.803 -0.065 0.000 0.833 333 Q CB 0.030 28.877 28.738 0.182 0.000 0.896 333 Q HN 0.354 nan 8.270 nan 0.000 0.434 334 M N 0.135 119.262 119.600 -0.788 0.000 2.106 334 M HA -0.275 4.205 4.480 -0.001 0.000 0.259 334 M C 2.280 178.234 176.300 -0.577 0.000 1.068 334 M CA 1.840 56.391 55.300 -1.249 0.000 1.100 334 M CB -0.107 31.466 32.600 -1.712 0.000 1.351 334 M HN 0.112 nan 8.290 nan 0.000 0.404 335 R N 0.086 120.350 120.500 -0.392 0.000 2.073 335 R HA -0.182 4.158 4.340 -0.001 0.000 0.234 335 R C 2.189 178.395 176.300 -0.157 0.000 1.134 335 R CA 2.037 57.996 56.100 -0.234 0.000 0.952 335 R CB -0.818 29.374 30.300 -0.179 0.000 0.850 335 R HN 0.449 nan 8.270 nan 0.000 0.433 336 L N -0.016 121.128 121.223 -0.131 0.000 2.141 336 L HA 0.061 4.401 4.340 -0.001 0.000 0.209 336 L C 2.294 179.138 176.870 -0.044 0.000 1.094 336 L CA 1.722 56.521 54.840 -0.068 0.000 0.763 336 L CB -0.987 41.048 42.059 -0.040 0.000 0.908 336 L HN 0.290 nan 8.230 nan 0.000 0.437 337 L N -0.763 120.431 121.223 -0.047 0.000 2.316 337 L HA 0.532 4.871 4.340 -0.001 0.000 0.207 337 L C 1.278 178.150 176.870 0.004 0.000 1.070 337 L CA 0.641 55.489 54.840 0.015 0.000 0.820 337 L CB -0.048 42.080 42.059 0.114 0.000 0.992 337 L HN 0.616 nan 8.230 nan 0.000 0.466 338 G N 0.056 108.815 108.800 -0.067 0.000 3.448 338 G HA2 -0.200 3.759 3.960 -0.001 0.000 0.685 338 G HA3 -0.200 3.759 3.960 -0.001 0.000 0.685 338 G C 0.160 175.040 174.900 -0.034 0.000 1.151 338 G CA -0.044 45.022 45.100 -0.057 0.000 1.023 338 G HN 0.043 nan 8.290 nan 0.000 0.499 339 M N 0.768 120.287 119.600 -0.134 0.000 2.153 339 M HA -0.225 4.255 4.480 -0.001 0.000 0.253 339 M C 2.517 178.901 176.300 0.141 0.000 1.081 339 M CA 2.819 58.083 55.300 -0.061 0.000 1.076 339 M CB 0.034 32.590 32.600 -0.072 0.000 1.350 339 M HN 0.799 nan 8.290 nan 0.000 0.401 340 E N -0.281 119.968 120.200 0.082 0.000 2.447 340 E HA -0.002 4.348 4.350 -0.001 0.000 0.195 340 E C 0.452 177.108 176.600 0.095 0.000 1.028 340 E CA 0.775 57.224 56.400 0.081 0.000 0.876 340 E CB -0.620 29.104 29.700 0.040 0.000 0.885 340 E HN 0.513 nan 8.360 nan 0.000 0.500 341 T N -1.222 113.405 114.554 0.121 0.000 2.904 341 T HA 0.275 4.625 4.350 -0.001 0.000 0.290 341 T C 0.984 175.759 174.700 0.125 0.000 1.018 341 T CA -0.500 61.665 62.100 0.109 0.000 1.075 341 T CB 1.273 70.205 68.868 0.106 0.000 0.986 341 T HN -0.052 nan 8.240 nan 0.000 0.523 342 M N 2.317 121.965 119.600 0.081 0.000 2.296 342 M HA 0.158 4.637 4.480 -0.001 0.000 0.265 342 M C 2.233 178.576 176.300 0.070 0.000 1.064 342 M CA 1.501 56.839 55.300 0.063 0.000 1.109 342 M CB -1.421 31.206 32.600 0.045 0.000 1.396 342 M HN 0.916 nan 8.290 nan 0.000 0.430 343 A N -0.317 122.556 122.820 0.088 0.000 1.940 343 A HA -0.228 4.091 4.320 -0.001 0.000 0.219 343 A C 2.226 179.895 177.584 0.141 0.000 1.176 343 A CA 1.816 53.904 52.037 0.086 0.000 0.631 343 A CB -1.413 17.636 19.000 0.081 0.000 0.814 343 A HN 0.865 nan 8.150 nan 0.000 0.446 344 W N 0.256 121.568 121.300 0.021 0.000 2.480 344 W HA -0.082 4.578 4.660 -0.001 0.000 0.299 344 W C 1.701 178.266 176.519 0.078 0.000 1.187 344 W CA 1.286 58.660 57.345 0.047 0.000 1.347 344 W CB -0.222 29.258 29.460 0.033 0.000 1.121 344 W HN 0.398 nan 8.180 nan 0.000 0.533 345 Q N 0.985 120.733 119.800 -0.086 0.000 2.291 345 Q HA -0.213 4.127 4.340 -0.001 0.000 0.206 345 Q C 1.732 177.642 176.000 -0.149 0.000 0.976 345 Q CA 1.849 57.518 55.803 -0.225 0.000 0.875 345 Q CB -0.494 28.204 28.738 -0.067 0.000 0.927 345 Q HN 0.685 nan 8.270 nan 0.000 0.450 346 E N 0.375 120.550 120.200 -0.042 0.000 2.478 346 E HA 0.041 4.390 4.350 -0.001 0.000 0.194 346 E C 0.347 176.986 176.600 0.064 0.000 1.045 346 E CA -0.109 56.334 56.400 0.072 0.000 0.868 346 E CB 0.029 29.761 29.700 0.053 0.000 0.885 346 E HN 0.218 nan 8.360 nan 0.000 0.505 347 I N 2.520 123.044 120.570 -0.077 0.000 2.471 347 I HA 0.155 4.325 4.170 -0.001 0.000 0.286 347 I C 0.394 176.395 176.117 -0.194 0.000 1.079 347 I CA -0.263 60.921 61.300 -0.194 0.000 1.398 347 I CB 0.699 38.474 38.000 -0.375 0.000 1.403 347 I HN 0.001 nan 8.210 nan 0.000 0.530 348 R N 4.676 125.015 120.500 -0.268 0.000 2.474 348 R HA 0.539 4.878 4.340 -0.001 0.000 0.295 348 R C -1.102 175.016 176.300 -0.303 0.000 0.980 348 R CA -0.825 55.130 56.100 -0.241 0.000 0.934 348 R CB 1.284 31.387 30.300 -0.328 0.000 1.101 348 R HN 0.527 nan 8.270 nan 0.000 0.469 349 H N -0.062 119.058 119.070 0.084 0.000 2.529 349 H HA 0.550 5.106 4.556 -0.001 0.000 0.348 349 H C -0.958 174.498 175.328 0.214 0.000 1.079 349 H CA -0.542 55.642 56.048 0.226 0.000 1.198 349 H CB 2.154 32.073 29.762 0.260 0.000 1.521 349 H HN 0.691 nan 8.280 nan 0.000 0.514 350 A N 4.072 127.116 122.820 0.373 0.000 2.353 350 A HA 0.580 4.900 4.320 -0.001 0.000 0.299 350 A C -0.883 176.957 177.584 0.427 0.000 1.089 350 A CA -0.559 51.677 52.037 0.332 0.000 0.736 350 A CB 0.458 19.599 19.000 0.236 0.000 1.195 350 A HN 0.677 nan 8.150 nan 0.000 0.447 351 I N 2.949 123.737 120.570 0.364 0.000 2.404 351 I HA 0.465 4.635 4.170 -0.001 0.000 0.293 351 I C -0.691 175.612 176.117 0.312 0.000 0.992 351 I CA -0.428 61.061 61.300 0.316 0.000 1.149 351 I CB 1.771 39.851 38.000 0.133 0.000 1.315 351 I HN 0.496 nan 8.210 nan 0.000 0.446 352 I N 7.030 127.760 120.570 0.267 0.000 2.439 352 I HA 0.333 4.503 4.170 -0.001 0.000 0.285 352 I C -0.988 175.223 176.117 0.158 0.000 1.021 352 I CA -0.612 60.833 61.300 0.243 0.000 1.091 352 I CB 1.702 39.815 38.000 0.188 0.000 1.242 352 I HN 0.294 nan 8.210 nan 0.000 0.439 353 L N 7.090 128.396 121.223 0.139 0.000 2.275 353 L HA 0.454 4.794 4.340 -0.001 0.000 0.288 353 L C -0.365 176.521 176.870 0.026 0.000 1.046 353 L CA -0.164 54.739 54.840 0.106 0.000 0.805 353 L CB 1.062 43.178 42.059 0.095 0.000 1.193 353 L HN 0.418 nan 8.230 nan 0.000 0.426 354 L N 3.593 124.746 121.223 -0.118 0.000 2.255 354 L HA 0.671 5.011 4.340 -0.001 0.000 0.289 354 L C 0.191 176.643 176.870 -0.697 0.000 1.046 354 L CA 0.008 54.531 54.840 -0.529 0.000 0.816 354 L CB 1.223 42.792 42.059 -0.818 0.000 1.197 354 L HN 0.685 nan 8.230 nan 0.000 0.427 355 T N -0.700 113.635 114.554 -0.364 0.000 2.786 355 T HA 0.179 4.528 4.350 -0.001 0.000 0.316 355 T C -0.363 174.447 174.700 0.183 0.000 1.503 355 T CA -0.532 61.577 62.100 0.015 0.000 1.019 355 T CB 1.523 70.517 68.868 0.211 0.000 1.415 355 T HN 0.670 nan 8.240 nan 0.000 0.496 356 D N 0.244 120.798 120.400 0.257 0.000 2.340 356 D HA 0.269 4.909 4.640 -0.001 0.000 0.220 356 D C 1.443 177.846 176.300 0.171 0.000 1.039 356 D CA 0.833 54.969 54.000 0.227 0.000 0.866 356 D CB -0.410 40.519 40.800 0.214 0.000 0.913 356 D HN 1.257 nan 8.370 nan 0.000 0.523 357 G N 0.730 109.626 108.800 0.161 0.000 2.176 357 G HA2 -0.328 3.632 3.960 -0.001 0.000 0.252 357 G HA3 -0.328 3.632 3.960 -0.001 0.000 0.252 357 G C 0.201 175.166 174.900 0.108 0.000 1.024 357 G CA 0.114 45.288 45.100 0.122 0.000 0.755 357 G HN 0.434 nan 8.290 nan 0.000 0.507 358 K N 1.297 121.772 120.400 0.125 0.000 3.016 358 K HA 0.334 4.653 4.320 -0.001 0.000 0.226 358 K C 1.057 177.720 176.600 0.106 0.000 1.245 358 K CA 0.334 56.682 56.287 0.102 0.000 1.174 358 K CB 0.444 33.002 32.500 0.096 0.000 1.572 358 K HN 0.559 nan 8.250 nan 0.000 0.462 359 S N 1.195 116.961 115.700 0.110 0.000 2.558 359 S HA 0.012 4.482 4.470 -0.001 0.000 0.288 359 S C 0.567 175.214 174.600 0.078 0.000 1.318 359 S CA -0.088 58.179 58.200 0.112 0.000 1.056 359 S CB 0.430 63.686 63.200 0.094 0.000 0.853 359 S HN 0.639 nan 8.310 nan 0.000 0.505 360 N N 0.870 119.616 118.700 0.077 0.000 2.073 360 N HA 0.185 4.924 4.740 -0.001 0.000 0.227 360 N C -0.438 175.101 175.510 0.048 0.000 1.367 360 N CA -0.177 52.906 53.050 0.055 0.000 0.775 360 N CB -0.116 38.402 38.487 0.053 0.000 1.234 360 N HN 0.881 nan 8.380 nan 0.000 0.512 361 M N -4.056 115.579 119.600 0.059 0.000 2.643 361 M HA 0.691 5.170 4.480 -0.001 0.000 0.276 361 M C -0.047 176.289 176.300 0.060 0.000 1.200 361 M CA -0.086 55.244 55.300 0.050 0.000 0.863 361 M CB 1.913 34.548 32.600 0.057 0.000 1.711 361 M HN 0.125 nan 8.290 nan 0.000 0.492 362 G N -0.099 108.722 108.800 0.034 0.000 2.175 362 G HA2 0.298 4.258 3.960 -0.001 0.000 0.244 362 G HA3 0.298 4.258 3.960 -0.001 0.000 0.244 362 G C 0.831 175.679 174.900 -0.086 0.000 0.982 362 G CA 0.271 45.391 45.100 0.034 0.000 0.641 362 G HN 2.712 nan 8.290 nan 0.000 0.527 363 G N -1.191 107.561 108.800 -0.079 0.000 2.712 363 G HA2 0.322 4.282 3.960 -0.001 0.000 0.683 363 G HA3 0.322 4.282 3.960 -0.001 0.000 0.683 363 G C 0.085 174.933 174.900 -0.086 0.000 1.320 363 G CA 0.727 45.739 45.100 -0.146 0.000 0.847 363 G HN 1.940 nan 8.290 nan 0.000 0.553 364 S N 0.532 116.173 115.700 -0.098 0.000 2.525 364 S HA 0.413 4.882 4.470 -0.001 0.000 0.285 364 S C -0.283 174.337 174.600 0.034 0.000 1.283 364 S CA 0.034 58.209 58.200 -0.042 0.000 1.072 364 S CB 0.788 63.949 63.200 -0.065 0.000 0.867 364 S HN 0.445 nan 8.310 nan 0.000 0.492 365 P HA -0.067 nan 4.420 nan 0.000 0.222 365 P C 1.197 178.515 177.300 0.029 0.000 1.147 365 P CA 0.718 63.874 63.100 0.093 0.000 0.790 365 P CB 0.120 31.818 31.700 -0.003 0.000 0.780 366 K N -0.346 120.041 120.400 -0.022 0.000 2.152 366 K HA -0.134 4.185 4.320 -0.001 0.000 0.206 366 K C 1.501 178.040 176.600 -0.102 0.000 1.048 366 K CA 1.633 57.879 56.287 -0.068 0.000 0.933 366 K CB -0.494 31.959 32.500 -0.078 0.000 0.721 366 K HN 0.050 nan 8.250 nan 0.000 0.447 367 T N 0.632 115.133 114.554 -0.088 0.000 2.708 367 T HA -0.140 4.210 4.350 -0.001 0.000 0.266 367 T C 1.869 176.389 174.700 -0.300 0.000 1.037 367 T CA 1.458 63.425 62.100 -0.221 0.000 1.146 367 T CB -0.280 68.484 68.868 -0.174 0.000 0.865 367 T HN 0.441 nan 8.240 nan 0.000 0.435 368 A N 0.893 123.702 122.820 -0.020 0.000 1.898 368 A HA 0.004 4.323 4.320 -0.001 0.000 0.216 368 A C 2.589 180.093 177.584 -0.134 0.000 1.181 368 A CA 1.112 53.069 52.037 -0.134 0.000 0.620 368 A CB -0.961 17.837 19.000 -0.338 0.000 0.819 368 A HN 0.340 nan 8.150 nan 0.000 0.442 369 V N 0.788 120.632 119.914 -0.116 0.000 2.287 369 V HA -0.283 3.837 4.120 -0.001 0.000 0.248 369 V C 2.182 178.225 176.094 -0.085 0.000 1.053 369 V CA 2.440 64.683 62.300 -0.096 0.000 1.027 369 V CB -0.810 30.956 31.823 -0.096 0.000 0.646 369 V HN 0.491 nan 8.190 nan 0.000 0.447 370 D N -1.206 119.117 120.400 -0.129 0.000 2.144 370 D HA -0.129 4.510 4.640 -0.001 0.000 0.200 370 D C 2.066 178.338 176.300 -0.046 0.000 0.978 370 D CA 1.344 55.278 54.000 -0.110 0.000 0.833 370 D CB -0.330 40.379 40.800 -0.152 0.000 0.961 370 D HN 0.630 nan 8.370 nan 0.000 0.470 371 H N -0.083 118.911 119.070 -0.127 0.000 2.353 371 H HA -0.021 4.535 4.556 -0.000 0.000 0.300 371 H C 2.248 177.572 175.328 -0.007 0.000 1.090 371 H CA 0.499 56.419 56.048 -0.213 0.000 1.327 371 H CB 0.196 29.581 29.762 -0.629 0.000 1.383 371 H HN 0.107 nan 8.280 nan 0.000 0.508 372 I N 0.500 121.165 120.570 0.159 0.000 2.202 372 I HA -0.243 3.927 4.170 -0.001 0.000 0.242 372 I C 2.371 178.546 176.117 0.097 0.000 1.091 372 I CA 1.120 62.526 61.300 0.176 0.000 1.368 372 I CB -0.172 37.861 38.000 0.055 0.000 1.058 372 I HN 0.187 nan 8.210 nan 0.000 0.410 373 R N 0.322 120.851 120.500 0.049 0.000 2.127 373 R HA -0.221 4.118 4.340 -0.001 0.000 0.238 373 R C 2.187 178.522 176.300 0.058 0.000 1.134 373 R CA 1.511 57.631 56.100 0.033 0.000 0.975 373 R CB -0.249 30.052 30.300 0.002 0.000 0.865 373 R HN 0.451 nan 8.270 nan 0.000 0.447 374 E N 0.934 121.186 120.200 0.087 0.000 2.028 374 E HA -0.158 4.192 4.350 -0.001 0.000 0.190 374 E C 1.949 178.624 176.600 0.125 0.000 0.984 374 E CA 0.806 57.264 56.400 0.097 0.000 0.800 374 E CB -0.032 29.735 29.700 0.111 0.000 0.758 374 E HN 0.268 nan 8.360 nan 0.000 0.448 375 I N 0.764 121.446 120.570 0.186 0.000 2.361 375 I HA -0.212 3.957 4.170 -0.001 0.000 0.251 375 I C 1.711 177.969 176.117 0.234 0.000 1.133 375 I CA 0.882 62.300 61.300 0.197 0.000 1.413 375 I CB 0.176 38.300 38.000 0.206 0.000 1.073 375 I HN 0.220 nan 8.210 nan 0.000 0.424 376 L N 0.084 121.402 121.223 0.159 0.000 2.591 376 L HA 0.018 4.357 4.340 -0.001 0.000 0.228 376 L C 0.828 177.724 176.870 0.044 0.000 1.133 376 L CA 0.230 55.125 54.840 0.093 0.000 0.880 376 L CB -0.771 41.285 42.059 -0.005 0.000 1.033 376 L HN 0.404 nan 8.230 nan 0.000 0.450 377 N N 1.906 120.642 118.700 0.060 0.000 2.688 377 N HA -0.196 4.543 4.740 -0.001 0.000 0.258 377 N C -0.199 175.305 175.510 -0.010 0.000 1.016 377 N CA -0.307 52.755 53.050 0.021 0.000 0.747 377 N CB -0.234 38.260 38.487 0.010 0.000 0.895 377 N HN 0.127 nan 8.380 nan 0.000 0.543 378 I N 2.885 123.463 120.570 0.014 0.000 2.389 378 I HA 0.035 4.205 4.170 -0.001 0.000 0.295 378 I C 1.057 177.180 176.117 0.010 0.000 1.117 378 I CA 0.243 61.555 61.300 0.020 0.000 1.317 378 I CB -0.817 37.202 38.000 0.031 0.000 1.431 378 I HN 0.372 nan 8.210 nan 0.000 0.521 379 N N 5.107 123.810 118.700 0.005 0.000 2.879 379 N HA 0.274 5.013 4.740 -0.001 0.000 0.329 379 N C 0.412 175.929 175.510 0.013 0.000 1.337 379 N CA -0.812 52.240 53.050 0.003 0.000 0.844 379 N CB 1.019 39.503 38.487 -0.005 0.000 1.236 379 N HN 0.356 nan 8.380 nan 0.000 0.601 380 Q N -0.059 119.747 119.800 0.010 0.000 2.119 380 Q HA -0.083 4.256 4.340 -0.001 0.000 0.201 380 Q C 1.322 177.340 176.000 0.029 0.000 0.972 380 Q CA 1.651 57.463 55.803 0.015 0.000 0.847 380 Q CB -0.029 28.715 28.738 0.009 0.000 0.903 380 Q HN 0.459 nan 8.270 nan 0.000 0.433 381 K N 0.049 120.465 120.400 0.026 0.000 2.217 381 K HA -0.052 4.268 4.320 -0.001 0.000 0.202 381 K C 1.158 177.806 176.600 0.081 0.000 1.051 381 K CA 0.869 57.179 56.287 0.039 0.000 0.952 381 K CB 0.180 32.690 32.500 0.016 0.000 0.736 381 K HN -0.014 nan 8.250 nan 0.000 0.453 382 R N 0.170 120.712 120.500 0.070 0.000 2.552 382 R HA 0.148 4.488 4.340 -0.001 0.000 0.314 382 R C 0.745 177.189 176.300 0.240 0.000 1.041 382 R CA -0.150 56.045 56.100 0.158 0.000 1.076 382 R CB 0.088 30.331 30.300 -0.095 0.000 1.290 382 R HN 0.099 nan 8.270 nan 0.000 0.563 383 N N 1.230 120.015 118.700 0.141 0.000 2.364 383 N HA -0.151 4.588 4.740 -0.001 0.000 0.183 383 N C 0.677 176.241 175.510 0.091 0.000 1.022 383 N CA 1.289 54.392 53.050 0.089 0.000 0.883 383 N CB 0.147 38.659 38.487 0.042 0.000 0.965 383 N HN 0.113 nan 8.380 nan 0.000 0.438 384 D N -1.383 119.077 120.400 0.100 0.000 2.363 384 D HA -0.047 4.592 4.640 -0.001 0.000 0.220 384 D C 0.593 176.804 176.300 -0.149 0.000 0.994 384 D CA 0.476 54.449 54.000 -0.044 0.000 0.890 384 D CB -0.128 40.587 40.800 -0.142 0.000 0.906 384 D HN 0.438 nan 8.370 nan 0.000 0.530 385 Y N -0.213 120.097 120.300 0.016 0.000 2.490 385 Y HA 0.244 4.793 4.550 -0.002 0.000 0.281 385 Y C 0.445 176.406 175.900 0.101 0.000 1.174 385 Y CA -0.077 58.047 58.100 0.040 0.000 1.295 385 Y CB 0.461 38.935 38.460 0.024 0.000 1.062 385 Y HN -0.119 nan 8.280 nan 0.000 0.522 386 L N 0.095 121.413 121.223 0.159 0.000 2.493 386 L HA 0.486 4.826 4.340 -0.001 0.000 0.265 386 L C -1.966 174.943 176.870 0.065 0.000 0.954 386 L CA -0.603 54.314 54.840 0.129 0.000 0.844 386 L CB 2.062 44.172 42.059 0.086 0.000 1.302 386 L HN -0.133 nan 8.230 nan 0.000 0.405 387 D N 4.968 125.428 120.400 0.100 0.000 2.896 387 D HA 0.639 5.279 4.640 -0.001 0.000 0.241 387 D C -1.012 175.326 176.300 0.063 0.000 1.188 387 D CA -0.033 54.002 54.000 0.059 0.000 0.879 387 D CB 2.336 43.296 40.800 0.267 0.000 1.553 387 D HN 0.412 nan 8.370 nan 0.000 0.515 388 I N 2.488 122.990 120.570 -0.113 0.000 2.418 388 I HA 0.350 4.519 4.170 -0.001 0.000 0.287 388 I C -1.098 174.962 176.117 -0.095 0.000 1.008 388 I CA -0.822 60.459 61.300 -0.032 0.000 1.104 388 I CB 0.996 38.948 38.000 -0.080 0.000 1.264 388 I HN 0.272 nan 8.210 nan 0.000 0.438 389 Y N 4.250 124.673 120.300 0.205 0.000 2.377 389 Y HA 0.709 5.259 4.550 0.000 0.000 0.339 389 Y C 0.248 176.237 175.900 0.148 0.000 1.011 389 Y CA -0.792 57.445 58.100 0.228 0.000 1.093 389 Y CB 2.167 40.785 38.460 0.263 0.000 1.201 389 Y HN 0.584 nan 8.280 nan 0.000 0.455 390 A N 4.808 127.792 122.820 0.273 0.000 2.335 390 A HA 0.821 5.140 4.320 -0.001 0.000 0.304 390 A C -1.199 176.525 177.584 0.233 0.000 1.118 390 A CA -0.541 51.602 52.037 0.177 0.000 0.757 390 A CB 0.323 19.360 19.000 0.062 0.000 1.188 390 A HN 0.743 nan 8.150 nan 0.000 0.460 391 I N 2.351 123.045 120.570 0.206 0.000 2.478 391 I HA 0.449 4.618 4.170 -0.001 0.000 0.287 391 I C 0.572 176.777 176.117 0.147 0.000 1.042 391 I CA -0.593 60.853 61.300 0.243 0.000 1.067 391 I CB 2.440 40.578 38.000 0.232 0.000 1.233 391 I HN 0.722 nan 8.210 nan 0.000 0.431 392 G N 5.795 114.726 108.800 0.218 0.000 2.475 392 G HA2 0.466 4.425 3.960 -0.001 0.000 0.322 392 G HA3 0.466 4.425 3.960 -0.001 0.000 0.322 392 G C -0.859 174.193 174.900 0.254 0.000 1.044 392 G CA -0.324 44.915 45.100 0.231 0.000 1.047 392 G HN 0.387 nan 8.290 nan 0.000 0.436 393 V N 3.576 123.669 119.914 0.299 0.000 2.459 393 V HA 0.964 5.083 4.120 -0.001 0.000 0.295 393 V C 0.510 176.777 176.094 0.290 0.000 1.029 393 V CA 1.078 63.535 62.300 0.262 0.000 0.874 393 V CB 0.937 32.883 31.823 0.204 0.000 0.985 393 V HN 1.786 nan 8.190 nan 0.000 0.438 394 G N 3.770 112.671 108.800 0.168 0.000 2.343 394 G HA2 0.306 4.265 3.960 -0.001 0.000 0.562 394 G HA3 0.306 4.265 3.960 -0.001 0.000 0.562 394 G C 0.119 175.067 174.900 0.079 0.000 1.269 394 G CA 0.215 45.374 45.100 0.098 0.000 1.011 394 G HN 1.467 nan 8.290 nan 0.000 0.498 395 K N -0.446 119.979 120.400 0.041 0.000 2.459 395 K HA 0.620 4.939 4.320 -0.001 0.000 0.193 395 K C 1.670 178.297 176.600 0.045 0.000 1.030 395 K CA 1.507 57.816 56.287 0.036 0.000 1.026 395 K CB -0.826 nan 32.500 nan 0.000 0.809 395 K HN 1.689 nan 8.250 nan 0.000 0.504 396 L N -1.175 120.083 121.223 0.058 0.000 2.474 396 L HA 0.389 4.729 4.340 -0.001 0.000 0.259 396 L C -0.014 176.908 176.870 0.088 0.000 1.232 396 L CA -0.707 54.172 54.840 0.066 0.000 0.821 396 L CB 0.309 42.412 42.059 0.074 0.000 1.108 396 L HN 0.190 nan 8.230 nan 0.000 0.495 397 D N 0.681 121.131 120.400 0.084 0.000 2.312 397 D HA 0.442 5.081 4.640 -0.001 0.000 0.252 397 D C -0.834 175.537 176.300 0.118 0.000 1.150 397 D CA -0.180 53.873 54.000 0.089 0.000 0.870 397 D CB 1.400 42.243 40.800 0.072 0.000 1.153 397 D HN 0.430 nan 8.370 nan 0.000 0.457 398 V N 3.737 123.732 119.914 0.134 0.000 2.680 398 V HA 0.247 4.367 4.120 -0.001 0.000 0.309 398 V C -0.329 175.867 176.094 0.171 0.000 1.052 398 V CA -0.959 61.442 62.300 0.167 0.000 0.908 398 V CB 1.926 33.873 31.823 0.206 0.000 1.001 398 V HN 0.593 nan 8.190 nan 0.000 0.431 399 D N 3.278 123.772 120.400 0.158 0.000 2.441 399 D HA 0.044 4.683 4.640 -0.001 0.000 0.221 399 D C 0.794 177.194 176.300 0.166 0.000 1.156 399 D CA -0.368 53.719 54.000 0.145 0.000 0.896 399 D CB 0.544 41.400 40.800 0.093 0.000 1.028 399 D HN 0.753 nan 8.370 nan 0.000 0.509 400 W N 5.237 126.563 121.300 0.042 0.000 2.338 400 W HA -0.207 4.451 4.660 -0.004 0.000 0.304 400 W C 1.658 178.188 176.519 0.019 0.000 1.212 400 W CA 0.696 58.059 57.345 0.031 0.000 1.264 400 W CB 0.099 29.574 29.460 0.024 0.000 1.142 400 W HN 0.445 nan 8.180 nan 0.000 0.512 401 R N 0.795 121.230 120.500 -0.109 0.000 2.091 401 R HA -0.270 4.070 4.340 -0.001 0.000 0.238 401 R C 2.322 178.475 176.300 -0.245 0.000 1.136 401 R CA 2.349 58.315 56.100 -0.224 0.000 0.959 401 R CB -0.635 29.634 30.300 -0.051 0.000 0.856 401 R HN 0.248 nan 8.270 nan 0.000 0.437 402 E N 0.287 120.406 120.200 -0.135 0.000 2.072 402 E HA -0.155 4.195 4.350 -0.001 0.000 0.191 402 E C 2.025 178.527 176.600 -0.164 0.000 0.985 402 E CA 1.098 57.432 56.400 -0.111 0.000 0.801 402 E CB -0.131 29.552 29.700 -0.028 0.000 0.750 402 E HN 0.375 nan 8.360 nan 0.000 0.452 403 L N 0.834 121.940 121.223 -0.195 0.000 2.012 403 L HA -0.232 4.107 4.340 -0.001 0.000 0.210 403 L C 2.600 179.238 176.870 -0.386 0.000 1.073 403 L CA 1.680 56.387 54.840 -0.222 0.000 0.748 403 L CB -0.713 41.258 42.059 -0.145 0.000 0.891 403 L HN 0.355 nan 8.230 nan 0.000 0.431 404 N N -0.345 117.937 118.700 -0.697 0.000 2.120 404 N HA -0.251 4.489 4.740 -0.001 0.000 0.188 404 N C 1.898 177.194 175.510 -0.357 0.000 1.024 404 N CA 1.150 53.796 53.050 -0.673 0.000 0.852 404 N CB 0.105 38.052 38.487 -0.899 0.000 1.003 404 N HN 0.367 nan 8.380 nan 0.000 0.424 405 E N 0.754 120.781 120.200 -0.288 0.000 2.106 405 E HA -0.139 4.211 4.350 -0.001 0.000 0.192 405 E C 2.075 178.582 176.600 -0.156 0.000 0.984 405 E CA 0.529 56.817 56.400 -0.187 0.000 0.806 405 E CB 0.106 29.719 29.700 -0.145 0.000 0.750 405 E HN 0.365 nan 8.360 nan 0.000 0.458 406 L N 0.650 121.784 121.223 -0.149 0.000 2.056 406 L HA 0.012 4.351 4.340 -0.001 0.000 0.207 406 L C 1.609 178.402 176.870 -0.128 0.000 1.078 406 L CA 0.567 55.338 54.840 -0.115 0.000 0.749 406 L CB -0.647 41.366 42.059 -0.077 0.000 0.901 406 L HN 0.096 nan 8.230 nan 0.000 0.433 407 G N -0.307 108.405 108.800 -0.145 0.000 2.554 407 G HA2 0.131 4.091 3.960 -0.001 0.000 0.238 407 G HA3 0.131 4.091 3.960 -0.001 0.000 0.238 407 G C 0.041 174.788 174.900 -0.256 0.000 1.259 407 G CA -0.424 44.581 45.100 -0.158 0.000 0.843 407 G HN 0.136 nan 8.290 nan 0.000 0.582 408 S N 0.369 115.794 115.700 -0.459 0.000 2.569 408 S HA 0.164 4.634 4.470 -0.001 0.000 0.274 408 S C 0.255 174.574 174.600 -0.469 0.000 1.353 408 S CA 0.084 57.915 58.200 -0.616 0.000 1.023 408 S CB 0.622 63.150 63.200 -1.119 0.000 0.876 408 S HN 0.435 nan 8.310 nan 0.000 0.540 409 K N 2.937 123.152 120.400 -0.309 0.000 2.478 409 K HA 0.365 4.685 4.320 -0.001 0.000 0.236 409 K C -0.772 175.753 176.600 -0.126 0.000 1.021 409 K CA -0.190 55.997 56.287 -0.167 0.000 1.010 409 K CB 0.959 33.387 32.500 -0.121 0.000 1.331 409 K HN 0.469 nan 8.250 nan 0.000 0.470 410 K N 1.538 121.897 120.400 -0.067 0.000 2.345 410 K HA 0.289 4.608 4.320 -0.001 0.000 0.255 410 K C -0.830 175.791 176.600 0.035 0.000 0.934 410 K CA -0.925 55.358 56.287 -0.007 0.000 0.801 410 K CB 1.943 34.473 32.500 0.049 0.000 1.137 410 K HN 0.311 nan 8.250 nan 0.000 0.424 411 D N 1.019 121.432 120.400 0.021 0.000 2.458 411 D HA 0.061 4.700 4.640 -0.001 0.000 0.243 411 D C 1.269 177.593 176.300 0.039 0.000 1.146 411 D CA 1.141 55.156 54.000 0.025 0.000 0.877 411 D CB 0.905 41.714 40.800 0.015 0.000 1.176 411 D HN 0.855 nan 8.370 nan 0.000 0.461 412 G N 2.012 110.836 108.800 0.040 0.000 2.162 412 G HA2 -0.267 3.693 3.960 -0.001 0.000 0.260 412 G HA3 -0.267 3.693 3.960 -0.001 0.000 0.260 412 G C 0.085 175.022 174.900 0.060 0.000 0.976 412 G CA 0.223 45.349 45.100 0.044 0.000 0.655 412 G HN 0.575 nan 8.290 nan 0.000 0.533 413 E N -0.833 119.415 120.200 0.080 0.000 2.393 413 E HA 0.673 5.022 4.350 -0.001 0.000 0.273 413 E C -0.275 176.387 176.600 0.103 0.000 0.918 413 E CA -1.098 55.361 56.400 0.098 0.000 0.773 413 E CB 1.764 31.541 29.700 0.129 0.000 1.275 413 E HN 0.235 nan 8.360 nan 0.000 0.451 414 R N 0.395 120.944 120.500 0.081 0.000 2.637 414 R HA 0.418 4.757 4.340 -0.001 0.000 0.291 414 R C -0.313 175.918 176.300 -0.114 0.000 0.963 414 R CA -0.530 55.559 56.100 -0.017 0.000 0.901 414 R CB 1.082 31.304 30.300 -0.130 0.000 1.160 414 R HN 0.585 nan 8.270 nan 0.000 0.457 415 H N -0.443 118.504 119.070 -0.205 0.000 3.078 415 H HA 0.372 4.927 4.556 -0.001 0.000 0.263 415 H C -0.730 174.513 175.328 -0.143 0.000 1.177 415 H CA 0.051 55.983 56.048 -0.192 0.000 1.128 415 H CB 1.548 31.050 29.762 -0.434 0.000 1.623 415 H HN 0.586 nan 8.280 nan 0.000 0.592 416 A N 0.631 123.252 122.820 -0.333 0.000 2.374 416 A HA 0.665 4.985 4.320 -0.001 0.000 0.305 416 A C -1.469 175.920 177.584 -0.326 0.000 1.053 416 A CA -0.449 51.461 52.037 -0.213 0.000 0.726 416 A CB 1.065 19.848 19.000 -0.361 0.000 1.229 416 A HN 0.146 nan 8.150 nan 0.000 0.431 417 F N 0.796 120.983 119.950 0.395 0.000 2.601 417 F HA 0.616 5.143 4.527 0.001 0.000 0.309 417 F C -0.275 175.717 175.800 0.320 0.000 1.089 417 F CA -0.485 57.726 58.000 0.352 0.000 0.940 417 F CB 2.241 41.370 39.000 0.215 0.000 1.273 417 F HN 0.362 nan 8.300 nan 0.000 0.450 418 I N 4.111 124.925 120.570 0.406 0.000 2.382 418 I HA 0.476 4.645 4.170 -0.001 0.000 0.286 418 I C -1.186 175.049 176.117 0.196 0.000 1.002 418 I CA -0.379 61.084 61.300 0.270 0.000 1.135 418 I CB 1.351 39.461 38.000 0.183 0.000 1.288 418 I HN 0.351 nan 8.210 nan 0.000 0.448 419 L N 5.976 127.308 121.223 0.181 0.000 2.408 419 L HA 0.417 4.756 4.340 -0.001 0.000 0.268 419 L C 0.792 177.726 176.870 0.108 0.000 0.986 419 L CA -0.552 54.365 54.840 0.129 0.000 0.820 419 L CB 2.161 44.289 42.059 0.116 0.000 1.303 419 L HN 0.567 nan 8.230 nan 0.000 0.411 420 Q N 0.847 120.693 119.800 0.077 0.000 2.119 420 Q HA -0.099 4.241 4.340 -0.001 0.000 0.201 420 Q C -0.573 175.465 176.000 0.063 0.000 0.972 420 Q CA 1.303 57.145 55.803 0.064 0.000 0.847 420 Q CB 0.215 28.980 28.738 0.044 0.000 0.903 420 Q HN 0.784 nan 8.270 nan 0.000 0.433 421 D N -3.918 116.520 120.400 0.063 0.000 2.665 421 D HA 0.096 4.736 4.640 -0.001 0.000 0.287 421 D C -0.012 176.324 176.300 0.060 0.000 1.266 421 D CA -0.558 53.476 54.000 0.056 0.000 0.830 421 D CB 0.276 41.099 40.800 0.039 0.000 1.356 421 D HN -0.322 nan 8.370 nan 0.000 0.437 422 T N -0.702 113.882 114.554 0.050 0.000 2.833 422 T HA -0.131 4.219 4.350 -0.001 0.000 0.269 422 T C 1.480 176.221 174.700 0.069 0.000 1.054 422 T CA 1.479 63.608 62.100 0.048 0.000 1.135 422 T CB -0.184 68.701 68.868 0.027 0.000 0.869 422 T HN 0.377 nan 8.240 nan 0.000 0.466 423 K N 0.904 121.343 120.400 0.065 0.000 2.032 423 K HA -0.094 4.225 4.320 -0.001 0.000 0.209 423 K C 2.511 179.181 176.600 0.118 0.000 1.048 423 K CA 1.382 57.724 56.287 0.091 0.000 0.927 423 K CB -0.287 32.250 32.500 0.063 0.000 0.712 423 K HN 0.309 nan 8.250 nan 0.000 0.441 424 A N 1.518 124.384 122.820 0.077 0.000 1.969 424 A HA -0.125 4.194 4.320 -0.001 0.000 0.218 424 A C 1.999 179.606 177.584 0.039 0.000 1.169 424 A CA 0.930 53.000 52.037 0.055 0.000 0.635 424 A CB -0.492 18.535 19.000 0.045 0.000 0.810 424 A HN 0.398 nan 8.150 nan 0.000 0.445 425 L N -0.614 120.640 121.223 0.051 0.000 2.093 425 L HA -0.182 4.158 4.340 -0.001 0.000 0.208 425 L C 2.314 179.220 176.870 0.060 0.000 1.085 425 L CA 2.590 57.441 54.840 0.018 0.000 0.755 425 L CB -1.108 40.959 42.059 0.013 0.000 0.904 425 L HN 0.703 nan 8.230 nan 0.000 0.435 426 H N -0.227 118.852 119.070 0.015 0.000 2.319 426 H HA -0.204 4.352 4.556 -0.000 0.000 0.299 426 H C 2.054 177.428 175.328 0.076 0.000 1.092 426 H CA 1.907 57.989 56.048 0.057 0.000 1.302 426 H CB 0.388 30.198 29.762 0.080 0.000 1.373 426 H HN 0.433 nan 8.280 nan 0.000 0.497 427 Q N 0.358 120.145 119.800 -0.021 0.000 2.050 427 Q HA -0.100 4.239 4.340 -0.001 0.000 0.202 427 Q C 2.720 178.708 176.000 -0.021 0.000 0.980 427 Q CA 1.125 56.897 55.803 -0.052 0.000 0.840 427 Q CB -0.596 28.148 28.738 0.010 0.000 0.898 427 Q HN 0.365 nan 8.270 nan 0.000 0.424 428 V N 0.745 120.608 119.914 -0.085 0.000 2.407 428 V HA -0.213 3.906 4.120 -0.001 0.000 0.248 428 V C 2.053 178.042 176.094 -0.175 0.000 1.055 428 V CA 1.441 63.604 62.300 -0.227 0.000 1.049 428 V CB -0.649 30.854 31.823 -0.534 0.000 0.662 428 V HN 0.183 nan 8.190 nan 0.000 0.455 429 F N 1.206 120.992 119.950 -0.273 0.000 2.171 429 F HA -0.135 4.392 4.527 -0.001 0.000 0.300 429 F C 2.436 178.092 175.800 -0.240 0.000 1.090 429 F CA 1.546 59.386 58.000 -0.266 0.000 1.293 429 F CB -0.209 38.669 39.000 -0.203 0.000 1.013 429 F HN 0.175 nan 8.300 nan 0.000 0.486 430 E N -0.744 119.330 120.200 -0.210 0.000 2.160 430 E HA -0.220 4.129 4.350 -0.001 0.000 0.195 430 E C 1.989 178.344 176.600 -0.407 0.000 0.991 430 E CA 1.325 57.526 56.400 -0.331 0.000 0.810 430 E CB -0.639 28.872 29.700 -0.314 0.000 0.742 430 E HN 0.611 nan 8.360 nan 0.000 0.466 431 H N -1.064 117.855 119.070 -0.252 0.000 2.563 431 H HA 0.207 4.763 4.556 -0.001 0.000 0.264 431 H C 1.797 176.999 175.328 -0.210 0.000 0.957 431 H CA 0.219 56.153 56.048 -0.191 0.000 1.173 431 H CB 0.287 29.974 29.762 -0.124 0.000 1.420 431 H HN 0.139 nan 8.280 nan 0.000 0.551 432 M N 0.483 119.929 119.600 -0.257 0.000 2.447 432 M HA 0.049 4.529 4.480 -0.001 0.000 0.264 432 M C 0.415 176.478 176.300 -0.396 0.000 1.095 432 M CA 0.656 55.757 55.300 -0.333 0.000 1.125 432 M CB 0.360 32.615 32.600 -0.574 0.000 1.389 432 M HN -0.005 nan 8.290 nan 0.000 0.459 433 L N 1.181 122.092 121.223 -0.520 0.000 2.305 433 L HA 0.173 4.513 4.340 -0.001 0.000 0.281 433 L C -0.202 176.459 176.870 -0.348 0.000 1.085 433 L CA -0.532 54.009 54.840 -0.498 0.000 0.813 433 L CB 0.338 42.034 42.059 -0.606 0.000 1.157 433 L HN -0.047 nan 8.230 nan 0.000 0.436 434 D N 3.074 123.296 120.400 -0.296 0.000 2.412 434 D HA 0.211 4.851 4.640 -0.001 0.000 0.224 434 D C 0.213 176.349 176.300 -0.273 0.000 1.093 434 D CA -0.368 53.496 54.000 -0.227 0.000 0.850 434 D CB 1.743 42.451 40.800 -0.154 0.000 1.046 434 D HN 0.195 nan 8.370 nan 0.000 0.507 435 V N 3.106 122.864 119.914 -0.260 0.000 3.483 435 V HA -0.036 4.083 4.120 -0.001 0.000 0.301 435 V C 2.195 178.197 176.094 -0.153 0.000 1.389 435 V CA 0.685 62.823 62.300 -0.271 0.000 1.101 435 V CB -0.260 31.390 31.823 -0.288 0.000 0.971 435 V HN 0.634 nan 8.190 nan 0.000 0.434 436 S N 0.746 116.372 115.700 -0.122 0.000 2.419 436 S HA -0.164 4.306 4.470 -0.001 0.000 0.235 436 S C 1.543 176.106 174.600 -0.061 0.000 1.019 436 S CA 1.154 59.312 58.200 -0.072 0.000 0.982 436 S CB -0.289 62.875 63.200 -0.059 0.000 0.789 436 S HN 0.666 nan 8.310 nan 0.000 0.490 437 K N 0.221 120.572 120.400 -0.082 0.000 2.397 437 K HA 0.316 4.636 4.320 -0.001 0.000 0.202 437 K C -0.557 176.006 176.600 -0.061 0.000 1.022 437 K CA -0.264 55.984 56.287 -0.065 0.000 1.141 437 K CB 0.148 32.606 32.500 -0.070 0.000 0.857 437 K HN 0.270 nan 8.250 nan 0.000 0.514 438 L N 2.345 123.528 121.223 -0.067 0.000 2.356 438 L HA 0.071 4.411 4.340 -0.001 0.000 0.282 438 L C 0.543 177.406 176.870 -0.011 0.000 1.132 438 L CA 0.618 55.431 54.840 -0.044 0.000 0.923 438 L CB 0.334 42.359 42.059 -0.056 0.000 1.278 438 L HN 0.087 nan 8.230 nan 0.000 0.436 439 T N -1.812 112.739 114.554 -0.005 0.000 3.145 439 T HA 0.264 4.613 4.350 -0.001 0.000 0.281 439 T C 0.241 174.950 174.700 0.014 0.000 1.003 439 T CA -0.216 61.888 62.100 0.007 0.000 0.901 439 T CB -0.568 68.302 68.868 0.004 0.000 1.112 439 T HN 0.583 nan 8.240 nan 0.000 0.535 440 D N 1.350 121.758 120.400 0.015 0.000 2.447 440 D HA 0.270 4.910 4.640 -0.001 0.000 0.265 440 D C 1.151 177.465 176.300 0.024 0.000 1.250 440 D CA -0.202 53.809 54.000 0.019 0.000 1.046 440 D CB 0.341 41.151 40.800 0.018 0.000 1.095 440 D HN 0.105 nan 8.370 nan 0.000 0.555 441 T N -2.464 112.103 114.554 0.022 0.000 3.324 441 T HA 0.080 4.430 4.350 -0.001 0.000 0.250 441 T C 0.925 175.635 174.700 0.018 0.000 1.059 441 T CA -0.627 61.486 62.100 0.021 0.000 0.951 441 T CB -0.957 67.922 68.868 0.018 0.000 1.030 441 T HN 0.457 nan 8.240 nan 0.000 0.576 442 I N 3.195 123.780 120.570 0.025 0.000 2.906 442 I HA 0.010 4.179 4.170 -0.001 0.000 0.301 442 I C 0.866 176.992 176.117 0.013 0.000 1.221 442 I CA -0.498 60.816 61.300 0.024 0.000 1.435 442 I CB -0.047 37.981 38.000 0.048 0.000 1.345 442 I HN 0.623 nan 8.210 nan 0.000 0.558 443 c N 5.257 123.844 118.600 -0.021 0.000 2.398 443 c HA 0.779 5.349 4.570 -0.001 0.000 0.364 443 c C 1.354 175.387 174.090 -0.095 0.000 1.219 443 c CA -0.039 56.258 56.329 -0.054 0.000 2.312 443 c CB 0.220 42.671 42.510 -0.098 0.000 2.428 443 c HN 1.309 nan 8.230 nan 0.000 0.564 444 G N 1.734 110.486 108.800 -0.080 0.000 2.221 444 G HA2 -0.119 3.841 3.960 -0.001 0.000 0.265 444 G HA3 -0.119 3.841 3.960 -0.001 0.000 0.265 444 G C -0.270 174.694 174.900 0.107 0.000 1.041 444 G CA 0.282 45.318 45.100 -0.106 0.000 0.807 444 G HN 1.311 nan 8.290 nan 0.000 0.502 445 V N -0.092 119.923 119.914 0.168 0.000 2.427 445 V HA 0.885 5.004 4.120 -0.001 0.000 0.286 445 V C 0.904 177.173 176.094 0.293 0.000 1.034 445 V CA 0.508 62.914 62.300 0.178 0.000 0.893 445 V CB 1.551 33.452 31.823 0.129 0.000 0.982 445 V HN 0.972 nan 8.190 nan 0.000 0.452 446 G N 3.122 112.137 108.800 0.359 0.000 2.827 446 G HA2 0.332 4.291 3.960 -0.001 0.000 0.296 446 G HA3 0.332 4.291 3.960 -0.001 0.000 0.296 446 G C -1.353 173.653 174.900 0.176 0.000 1.362 446 G CA -0.633 44.600 45.100 0.220 0.000 0.809 446 G HN 0.483 nan 8.290 nan 0.000 0.522 447 N N 0.301 119.021 118.700 0.034 0.000 2.438 447 N HA 0.284 5.024 4.740 -0.001 0.000 0.282 447 N C 0.716 176.247 175.510 0.035 0.000 1.037 447 N CA -0.523 52.517 53.050 -0.018 0.000 0.942 447 N CB 1.423 39.828 38.487 -0.136 0.000 1.136 447 N HN 0.183 nan 8.380 nan 0.000 0.481 448 M N 0.356 119.968 119.600 0.020 0.000 2.371 448 M HA 0.100 4.580 4.480 -0.001 0.000 0.246 448 M C 0.761 177.052 176.300 -0.015 0.000 1.103 448 M CA -0.003 55.343 55.300 0.077 0.000 1.010 448 M CB -1.231 31.448 32.600 0.132 0.000 1.457 448 M HN 0.299 nan 8.290 nan 0.000 0.486 449 S N 1.102 116.755 115.700 -0.079 0.000 2.528 449 S HA 0.463 4.933 4.470 -0.001 0.000 0.277 449 S C 1.364 175.971 174.600 0.010 0.000 1.297 449 S CA 0.144 58.324 58.200 -0.033 0.000 1.052 449 S CB 0.955 64.136 63.200 -0.032 0.000 0.917 449 S HN 0.427 nan 8.310 nan 0.000 0.492 450 A N 5.088 127.929 122.820 0.034 0.000 2.070 450 A HA -0.066 4.253 4.320 -0.001 0.000 0.220 450 A C 1.691 179.287 177.584 0.020 0.000 1.159 450 A CA 1.414 53.464 52.037 0.022 0.000 0.656 450 A CB -0.484 18.532 19.000 0.026 0.000 0.800 450 A HN 0.825 nan 8.150 nan 0.000 0.453 451 N N -0.358 118.382 118.700 0.068 0.000 2.336 451 N HA 0.261 5.000 4.740 -0.001 0.000 0.189 451 N C 0.528 176.083 175.510 0.075 0.000 1.113 451 N CA 0.703 53.797 53.050 0.073 0.000 0.858 451 N CB -0.100 38.428 38.487 0.069 0.000 0.970 451 N HN 0.474 nan 8.380 nan 0.000 0.471 452 A N 0.417 123.253 122.820 0.026 0.000 2.313 452 A HA 0.454 4.774 4.320 -0.001 0.000 0.261 452 A C 0.741 178.274 177.584 -0.085 0.000 1.090 452 A CA -0.471 51.534 52.037 -0.054 0.000 0.807 452 A CB 0.119 19.039 19.000 -0.134 0.000 1.055 452 A HN 0.285 nan 8.150 nan 0.000 0.492 453 S N 0.244 115.873 115.700 -0.118 0.000 2.584 453 S HA 0.079 4.548 4.470 -0.001 0.000 0.270 453 S C 0.359 174.843 174.600 -0.195 0.000 1.346 453 S CA 0.168 58.285 58.200 -0.139 0.000 1.018 453 S CB 0.504 63.631 63.200 -0.122 0.000 0.899 453 S HN 0.595 nan 8.310 nan 0.000 0.542 454 D N 1.013 121.302 120.400 -0.185 0.000 2.133 454 D HA -0.175 4.464 4.640 -0.001 0.000 0.192 454 D C 1.855 177.968 176.300 -0.312 0.000 1.001 454 D CA 1.920 55.784 54.000 -0.227 0.000 0.844 454 D CB -0.403 40.280 40.800 -0.195 0.000 0.944 454 D HN 0.756 nan 8.370 nan 0.000 0.447 455 Q N 0.733 120.356 119.800 -0.295 0.000 2.167 455 Q HA -0.109 4.231 4.340 -0.001 0.000 0.202 455 Q C 1.738 177.437 176.000 -0.500 0.000 0.970 455 Q CA 1.280 56.872 55.803 -0.353 0.000 0.855 455 Q CB -0.062 28.552 28.738 -0.207 0.000 0.911 455 Q HN 0.354 nan 8.270 nan 0.000 0.438 456 E N -0.650 119.224 120.200 -0.543 0.000 2.150 456 E HA -0.149 4.201 4.350 -0.001 0.000 0.193 456 E C 1.981 178.346 176.600 -0.392 0.000 0.985 456 E CA 0.786 56.872 56.400 -0.523 0.000 0.814 456 E CB 0.022 29.460 29.700 -0.436 0.000 0.752 456 E HN 0.282 nan 8.360 nan 0.000 0.466 457 R N 0.059 120.330 120.500 -0.382 0.000 2.153 457 R HA -0.021 4.319 4.340 -0.001 0.000 0.218 457 R C 0.875 176.784 176.300 -0.652 0.000 1.072 457 R CA 1.442 57.324 56.100 -0.363 0.000 0.990 457 R CB 0.262 30.404 30.300 -0.263 0.000 0.889 457 R HN 0.077 nan 8.270 nan 0.000 0.452 458 T N -2.484 111.541 114.554 -0.881 0.000 3.583 458 T HA 0.246 4.595 4.350 -0.001 0.000 0.266 458 T C -2.385 171.392 174.700 -1.538 0.000 1.296 458 T CA -1.503 59.549 62.100 -1.747 0.000 1.668 458 T CB 1.511 69.478 68.868 -1.501 0.000 0.832 458 T HN -0.118 nan 8.240 nan 0.000 0.649 459 P HA 0.042 nan 4.420 nan 0.000 0.237 459 P C 0.991 178.066 177.300 -0.375 0.000 1.178 459 P CA 0.232 63.013 63.100 -0.531 0.000 0.766 459 P CB -0.388 31.147 31.700 -0.275 0.000 0.876 460 W N -1.165 120.029 121.300 -0.176 0.000 2.937 460 W HA 0.116 4.776 4.660 -0.000 0.000 0.245 460 W C 0.884 177.358 176.519 -0.075 0.000 1.306 460 W CA -0.406 56.860 57.345 -0.132 0.000 1.470 460 W CB -1.814 27.544 29.460 -0.170 0.000 1.132 460 W HN -0.037 nan 8.180 nan 0.000 0.675 461 H N 1.896 120.620 119.070 -0.578 0.000 2.722 461 H HA 0.323 4.879 4.556 -0.001 0.000 0.328 461 H C -0.222 175.030 175.328 -0.128 0.000 1.067 461 H CA 0.387 56.253 56.048 -0.302 0.000 1.447 461 H CB 1.407 30.908 29.762 -0.435 0.000 1.469 461 H HN -0.008 nan 8.280 nan 0.000 0.544 462 V N 2.358 122.003 119.914 -0.449 0.000 3.040 462 V HA 0.499 4.618 4.120 -0.001 0.000 0.312 462 V C -0.319 175.573 176.094 -0.336 0.000 1.115 462 V CA -0.824 61.315 62.300 -0.268 0.000 0.998 462 V CB 2.023 33.772 31.823 -0.123 0.000 1.042 462 V HN 0.726 nan 8.190 nan 0.000 0.433 463 T N 4.226 118.688 114.554 -0.153 0.000 2.823 463 T HA 0.720 5.070 4.350 -0.001 0.000 0.279 463 T C -0.334 174.344 174.700 -0.036 0.000 0.998 463 T CA -0.117 61.927 62.100 -0.093 0.000 0.994 463 T CB 1.121 69.980 68.868 -0.015 0.000 0.960 463 T HN 0.657 nan 8.240 nan 0.000 0.448 464 I N 3.046 123.586 120.570 -0.050 0.000 2.404 464 I HA 0.414 4.584 4.170 -0.001 0.000 0.293 464 I C -0.289 175.799 176.117 -0.049 0.000 0.992 464 I CA -0.948 60.334 61.300 -0.031 0.000 1.149 464 I CB 1.551 39.511 38.000 -0.067 0.000 1.315 464 I HN 0.347 nan 8.210 nan 0.000 0.446 465 K N 7.354 127.759 120.400 0.009 0.000 2.473 465 K HA 0.423 4.742 4.320 -0.001 0.000 0.246 465 K C -2.575 174.045 176.600 0.034 0.000 1.011 465 K CA -1.354 54.945 56.287 0.019 0.000 0.984 465 K CB 0.904 33.444 32.500 0.068 0.000 1.250 465 K HN 0.194 nan 8.250 nan 0.000 0.454 472 c N 2.258 120.777 118.600 -0.135 0.000 3.285 472 c HA 0.891 5.460 4.570 -0.001 0.000 0.320 472 c C -0.952 173.077 174.090 -0.101 0.000 1.411 472 c CA -0.883 55.356 56.329 -0.150 0.000 1.429 472 c CB 2.089 44.410 42.510 -0.314 0.000 1.812 472 c HN 0.887 nan 8.230 nan 0.000 0.454 473 R N 0.207 120.662 120.500 -0.075 0.000 2.923 473 R HA 0.861 5.200 4.340 -0.001 0.000 0.252 473 R C -0.071 176.185 176.300 -0.072 0.000 1.130 473 R CA -0.378 55.668 56.100 -0.090 0.000 1.043 473 R CB 1.025 31.336 30.300 0.019 0.000 1.205 473 R HN 1.088 nan 8.270 nan 0.000 0.495 474 G N -1.231 107.514 108.800 -0.091 0.000 2.645 474 G HA2 0.629 4.589 3.960 -0.001 0.000 0.292 474 G HA3 0.629 4.589 3.960 -0.001 0.000 0.292 474 G C -1.863 173.063 174.900 0.044 0.000 1.415 474 G CA -0.248 44.855 45.100 0.004 0.000 0.785 474 G HN 0.574 nan 8.290 nan 0.000 0.483 475 A N -0.118 122.771 122.820 0.115 0.000 2.356 475 A HA 0.741 5.061 4.320 -0.001 0.000 0.310 475 A C -0.326 177.336 177.584 0.131 0.000 1.075 475 A CA -0.556 51.594 52.037 0.188 0.000 0.746 475 A CB 1.107 20.221 19.000 0.189 0.000 1.221 475 A HN 0.729 nan 8.150 nan 0.000 0.443 476 L N 3.093 124.394 121.223 0.130 0.000 2.462 476 L HA 0.153 4.493 4.340 -0.001 0.000 0.272 476 L C 1.059 177.985 176.870 0.093 0.000 1.166 476 L CA 0.223 55.115 54.840 0.087 0.000 0.880 476 L CB 0.599 42.691 42.059 0.055 0.000 1.142 476 L HN 0.863 nan 8.230 nan 0.000 0.473 477 I N -0.780 119.844 120.570 0.091 0.000 4.227 477 I HA 0.250 4.420 4.170 -0.001 0.000 0.334 477 I C 0.628 176.771 176.117 0.042 0.000 1.341 477 I CA -0.133 61.198 61.300 0.051 0.000 1.123 477 I CB 0.624 38.654 38.000 0.050 0.000 1.097 477 I HN 0.572 nan 8.210 nan 0.000 0.399 478 S N 0.553 116.305 115.700 0.088 0.000 2.843 478 S HA 0.271 4.740 4.470 -0.001 0.000 0.301 478 S C -0.251 174.393 174.600 0.075 0.000 1.206 478 S CA 0.062 58.312 58.200 0.084 0.000 0.875 478 S CB 0.993 64.272 63.200 0.132 0.000 1.248 478 S HN 0.243 nan 8.310 nan 0.000 0.555 479 D N -0.830 119.612 120.400 0.069 0.000 2.336 479 D HA 0.142 4.781 4.640 -0.001 0.000 0.229 479 D C 0.820 177.124 176.300 0.006 0.000 1.061 479 D CA 0.435 54.451 54.000 0.026 0.000 0.875 479 D CB 0.026 40.845 40.800 0.032 0.000 0.904 479 D HN 0.582 nan 8.370 nan 0.000 0.525 480 Q N -1.640 118.197 119.800 0.061 0.000 2.043 480 Q HA 0.179 4.519 4.340 -0.001 0.000 0.219 480 Q C -0.995 174.922 176.000 -0.139 0.000 0.762 480 Q CA -0.375 55.396 55.803 -0.054 0.000 0.943 480 Q CB 0.882 29.580 28.738 -0.066 0.000 1.194 480 Q HN 0.134 nan 8.270 nan 0.000 0.447 481 W N 0.197 121.478 121.300 -0.031 0.000 2.736 481 W HA 0.611 5.271 4.660 -0.001 0.000 0.335 481 W C -0.746 175.769 176.519 -0.008 0.000 1.059 481 W CA -0.590 56.749 57.345 -0.010 0.000 1.226 481 W CB 1.652 31.114 29.460 0.003 0.000 1.416 481 W HN -0.304 nan 8.180 nan 0.000 0.505 482 V N 4.459 124.525 119.914 0.254 0.000 2.540 482 V HA 0.402 4.521 4.120 -0.001 0.000 0.302 482 V C -0.930 175.294 176.094 0.216 0.000 1.035 482 V CA -1.066 61.333 62.300 0.166 0.000 0.873 482 V CB 1.581 33.454 31.823 0.082 0.000 0.992 482 V HN 0.339 nan 8.190 nan 0.000 0.428 483 L N 4.856 126.187 121.223 0.180 0.000 2.289 483 L HA 0.856 5.195 4.340 -0.001 0.000 0.285 483 L C 0.024 176.981 176.870 0.145 0.000 1.049 483 L CA 1.111 56.063 54.840 0.186 0.000 0.804 483 L CB 1.659 43.815 42.059 0.162 0.000 1.195 483 L HN 0.850 nan 8.230 nan 0.000 0.428 484 T N 2.921 117.563 114.554 0.147 0.000 2.645 484 T HA 0.807 5.157 4.350 -0.001 0.000 0.300 484 T C -1.407 173.307 174.700 0.024 0.000 1.210 484 T CA -0.058 62.092 62.100 0.083 0.000 1.034 484 T CB 1.103 70.030 68.868 0.099 0.000 1.537 484 T HN 0.864 nan 8.240 nan 0.000 0.492 485 A N 0.588 123.344 122.820 -0.107 0.000 2.309 485 A HA 0.728 5.047 4.320 -0.001 0.000 0.298 485 A C 1.457 178.860 177.584 -0.302 0.000 1.165 485 A CA 0.242 52.135 52.037 -0.240 0.000 0.821 485 A CB 0.389 19.144 19.000 -0.409 0.000 1.102 485 A HN 1.190 nan 8.150 nan 0.000 0.500 486 A N 1.398 124.004 122.820 -0.356 0.000 1.978 486 A HA -0.193 4.127 4.320 -0.001 0.000 0.220 486 A C 1.788 179.047 177.584 -0.542 0.000 1.170 486 A CA 1.888 53.693 52.037 -0.386 0.000 0.636 486 A CB -1.058 17.554 19.000 -0.647 0.000 0.810 486 A HN 1.102 nan 8.150 nan 0.000 0.448 487 H N -1.880 116.750 119.070 -0.734 0.000 2.545 487 H HA -0.068 4.487 4.556 -0.001 0.000 0.282 487 H C 1.696 176.888 175.328 -0.226 0.000 1.020 487 H CA 1.265 57.106 56.048 -0.344 0.000 1.243 487 H CB -0.752 29.040 29.762 0.051 0.000 1.377 487 H HN 0.429 nan 8.280 nan 0.000 0.581 488 c N 0.690 118.818 118.600 -0.787 0.000 2.437 488 c HA 0.097 4.666 4.570 -0.001 0.000 0.283 488 c C 0.888 174.366 174.090 -1.020 0.000 1.424 488 c CA 0.141 55.907 56.329 -0.939 0.000 1.782 488 c CB -1.460 40.249 42.510 -1.336 0.000 1.833 488 c HN 0.342 nan 8.230 nan 0.000 0.532 499 R N 0.894 121.578 120.500 0.306 0.000 2.686 499 R HA 0.769 5.108 4.340 -0.001 0.000 0.283 499 R C -1.233 175.177 176.300 0.184 0.000 0.978 499 R CA -1.128 55.094 56.100 0.203 0.000 0.897 499 R CB 2.363 32.748 30.300 0.142 0.000 1.192 499 R HN 0.216 nan 8.270 nan 0.000 0.457 500 V N 2.663 122.687 119.914 0.183 0.000 2.409 500 V HA 0.335 4.454 4.120 -0.001 0.000 0.291 500 V C 0.205 176.401 176.094 0.169 0.000 1.020 500 V CA -0.965 61.422 62.300 0.145 0.000 0.848 500 V CB 1.766 33.659 31.823 0.116 0.000 0.990 500 V HN 0.580 nan 8.190 nan 0.000 0.430 501 N N 3.893 122.662 118.700 0.114 0.000 2.422 501 N HA 0.445 5.184 4.740 -0.001 0.000 0.266 501 N C -1.085 174.476 175.510 0.086 0.000 1.007 501 N CA -0.088 53.041 53.050 0.131 0.000 0.941 501 N CB 1.830 40.381 38.487 0.108 0.000 1.115 501 N HN 0.425 nan 8.380 nan 0.000 0.492 502 V N 1.595 121.591 119.914 0.136 0.000 2.769 502 V HA 0.482 4.602 4.120 -0.001 0.000 0.312 502 V C 1.194 177.336 176.094 0.080 0.000 1.058 502 V CA -0.953 61.374 62.300 0.045 0.000 0.952 502 V CB 1.582 33.356 31.823 -0.082 0.000 1.019 502 V HN 0.725 nan 8.190 nan 0.000 0.445 503 G N 1.479 110.297 108.800 0.030 0.000 2.474 503 G HA2 0.262 4.221 3.960 -0.001 0.000 0.233 503 G HA3 0.262 4.221 3.960 -0.001 0.000 0.233 503 G C -0.540 174.422 174.900 0.103 0.000 1.278 503 G CA 0.242 45.383 45.100 0.068 0.000 0.861 503 G HN 0.737 nan 8.290 nan 0.000 0.567 504 D N 1.676 122.122 120.400 0.078 0.000 2.990 504 D HA 0.240 4.879 4.640 -0.001 0.000 0.227 504 D C -2.085 174.032 176.300 -0.305 0.000 1.249 504 D CA -1.444 52.545 54.000 -0.018 0.000 0.891 504 D CB 2.683 43.497 40.800 0.023 0.000 1.647 504 D HN 0.037 nan 8.370 nan 0.000 0.530 505 P HA -0.019 nan 4.420 nan 0.000 0.225 505 P C 0.861 177.865 177.300 -0.494 0.000 1.148 505 P CA 0.859 63.428 63.100 -0.884 0.000 0.779 505 P CB 0.402 31.879 31.700 -0.372 0.000 0.780 506 K N -0.736 119.515 120.400 -0.248 0.000 2.361 506 K HA 0.128 4.447 4.320 -0.001 0.000 0.196 506 K C 0.641 177.194 176.600 -0.078 0.000 1.039 506 K CA 0.545 56.755 56.287 -0.128 0.000 1.001 506 K CB 0.163 32.625 32.500 -0.065 0.000 0.795 506 K HN 0.211 nan 8.250 nan 0.000 0.495 507 S N -0.771 114.879 115.700 -0.083 0.000 2.537 507 S HA 0.028 4.497 4.470 -0.001 0.000 0.271 507 S C 0.554 175.073 174.600 -0.135 0.000 1.148 507 S CA -0.936 57.234 58.200 -0.050 0.000 0.868 507 S CB 1.737 65.027 63.200 0.150 0.000 1.115 507 S HN 0.236 nan 8.310 nan 0.000 0.461 508 Q N 0.754 120.363 119.800 -0.318 0.000 2.389 508 Q HA -0.135 4.204 4.340 -0.001 0.000 0.213 508 Q C 0.488 176.201 176.000 -0.478 0.000 0.989 508 Q CA 1.875 57.397 55.803 -0.469 0.000 0.891 508 Q CB -0.658 27.647 28.738 -0.722 0.000 0.923 508 Q HN 0.874 nan 8.270 nan 0.000 0.455 509 W N 1.045 122.353 121.300 0.013 0.000 3.139 509 W HA 0.365 5.024 4.660 -0.001 0.000 0.260 509 W C 1.188 177.721 176.519 0.024 0.000 1.312 509 W CA 0.224 57.579 57.345 0.016 0.000 1.606 509 W CB 0.181 29.646 29.460 0.007 0.000 1.118 509 W HN 0.467 nan 8.180 nan 0.000 0.675 510 G N 1.523 110.420 108.800 0.162 0.000 2.698 510 G HA2 -0.307 3.653 3.960 -0.001 0.000 0.233 510 G HA3 -0.307 3.653 3.960 -0.001 0.000 0.233 510 G C -0.647 174.343 174.900 0.150 0.000 1.352 510 G CA -0.237 44.943 45.100 0.133 0.000 0.879 510 G HN 0.118 nan 8.290 nan 0.000 0.567 511 K N 0.268 120.771 120.400 0.171 0.000 2.443 511 K HA 0.435 4.755 4.320 -0.001 0.000 0.252 511 K C -0.437 176.287 176.600 0.207 0.000 0.933 511 K CA -0.759 55.620 56.287 0.153 0.000 0.792 511 K CB 1.150 33.757 32.500 0.178 0.000 1.185 511 K HN 0.480 nan 8.250 nan 0.000 0.425 512 E N 3.231 123.474 120.200 0.072 0.000 2.316 512 E HA 0.144 4.494 4.350 -0.001 0.000 0.275 512 E C -0.795 175.785 176.600 -0.034 0.000 1.029 512 E CA 0.206 56.654 56.400 0.082 0.000 0.871 512 E CB 0.475 30.189 29.700 0.023 0.000 1.022 512 E HN 0.309 nan 8.360 nan 0.000 0.418 513 F N 1.587 121.551 119.950 0.025 0.000 2.532 513 F HA 0.352 4.878 4.527 -0.001 0.000 0.321 513 F C 0.444 176.257 175.800 0.022 0.000 1.089 513 F CA -0.794 57.214 58.000 0.014 0.000 0.926 513 F CB 1.084 40.087 39.000 0.006 0.000 1.168 513 F HN 0.152 nan 8.300 nan 0.000 0.459 514 L N 3.078 124.387 121.223 0.144 0.000 2.454 514 L HA 0.512 4.852 4.340 -0.001 0.000 0.256 514 L C -0.453 176.475 176.870 0.097 0.000 1.136 514 L CA -0.895 54.005 54.840 0.099 0.000 0.804 514 L CB 0.977 43.053 42.059 0.029 0.000 1.181 514 L HN 0.444 nan 8.230 nan 0.000 0.469 515 I N 0.391 120.993 120.570 0.053 0.000 2.377 515 I HA 0.084 4.254 4.170 -0.001 0.000 0.293 515 I C 1.017 177.091 176.117 -0.072 0.000 0.987 515 I CA 0.014 61.317 61.300 0.005 0.000 1.185 515 I CB 1.926 39.970 38.000 0.073 0.000 1.341 515 I HN 0.745 nan 8.210 nan 0.000 0.455 516 E N 5.961 126.090 120.200 -0.118 0.000 2.086 516 E HA 0.020 4.370 4.350 -0.001 0.000 0.190 516 E C 0.365 176.877 176.600 -0.147 0.000 0.975 516 E CA 0.797 57.118 56.400 -0.133 0.000 0.813 516 E CB 0.561 30.171 29.700 -0.151 0.000 0.768 516 E HN 0.508 nan 8.360 nan 0.000 0.457 517 K N -0.356 119.935 120.400 -0.182 0.000 2.543 517 K HA 0.540 4.859 4.320 -0.001 0.000 0.255 517 K C -2.002 174.522 176.600 -0.127 0.000 0.934 517 K CA -0.501 55.697 56.287 -0.148 0.000 0.810 517 K CB 2.036 34.447 32.500 -0.148 0.000 1.315 517 K HN 0.079 nan 8.250 nan 0.000 0.433 518 A N 2.681 125.461 122.820 -0.068 0.000 2.342 518 A HA 0.655 4.975 4.320 -0.001 0.000 0.323 518 A C -1.179 176.422 177.584 0.027 0.000 1.125 518 A CA -0.665 51.364 52.037 -0.013 0.000 0.785 518 A CB 1.466 20.483 19.000 0.029 0.000 1.221 518 A HN 0.340 nan 8.150 nan 0.000 0.463 519 V N 3.958 123.919 119.914 0.079 0.000 2.326 519 V HA 0.350 4.469 4.120 -0.001 0.000 0.281 519 V C -0.435 175.785 176.094 0.210 0.000 1.015 519 V CA -0.024 62.327 62.300 0.084 0.000 0.823 519 V CB 0.539 32.312 31.823 -0.083 0.000 1.009 519 V HN 0.729 nan 8.190 nan 0.000 0.436 520 I N 2.933 123.615 120.570 0.187 0.000 2.359 520 I HA 0.335 4.504 4.170 -0.001 0.000 0.294 520 I C 0.834 177.082 176.117 0.218 0.000 0.987 520 I CA -0.150 61.257 61.300 0.177 0.000 1.225 520 I CB 1.946 40.026 38.000 0.134 0.000 1.366 520 I HN 0.598 nan 8.210 nan 0.000 0.466 521 S N 7.805 123.517 115.700 0.021 0.000 2.544 521 S HA 0.121 4.590 4.470 -0.001 0.000 0.290 521 S C -1.084 173.580 174.600 0.107 0.000 1.276 521 S CA -0.975 57.171 58.200 -0.090 0.000 1.075 521 S CB 0.577 63.425 63.200 -0.587 0.000 0.849 521 S HN 0.479 nan 8.310 nan 0.000 0.494 522 P HA 0.065 nan 4.420 nan 0.000 0.229 522 P C 1.383 178.760 177.300 0.128 0.000 1.160 522 P CA 0.802 64.001 63.100 0.165 0.000 0.777 522 P CB -0.305 31.502 31.700 0.179 0.000 0.814 523 G N -0.398 108.462 108.800 0.100 0.000 2.471 523 G HA2 -0.175 3.785 3.960 -0.001 0.000 0.219 523 G HA3 -0.175 3.785 3.960 -0.001 0.000 0.219 523 G C 0.266 175.230 174.900 0.106 0.000 1.125 523 G CA -0.307 44.847 45.100 0.089 0.000 0.775 523 G HN 0.285 nan 8.290 nan 0.000 0.548 524 F N 1.626 121.569 119.950 -0.011 0.000 2.504 524 F HA 0.424 4.951 4.527 -0.001 0.000 0.369 524 F C -0.496 175.302 175.800 -0.003 0.000 1.082 524 F CA -0.745 57.245 58.000 -0.017 0.000 1.216 524 F CB 0.976 39.961 39.000 -0.026 0.000 1.108 524 F HN -0.020 nan 8.300 nan 0.000 0.554 525 D N 5.705 125.568 120.400 -0.894 0.000 2.318 525 D HA 0.020 4.659 4.640 -0.001 0.000 0.233 525 D C 0.052 175.854 176.300 -0.830 0.000 1.348 525 D CA -0.332 53.264 54.000 -0.673 0.000 0.983 525 D CB 1.219 41.878 40.800 -0.235 0.000 1.416 525 D HN 0.405 nan 8.370 nan 0.000 0.558 526 V N 3.793 123.013 119.914 -1.158 0.000 2.594 526 V HA -0.011 4.108 4.120 -0.001 0.000 0.253 526 V C 1.173 176.812 176.094 -0.759 0.000 1.069 526 V CA 1.478 63.112 62.300 -1.109 0.000 1.082 526 V CB -0.435 30.728 31.823 -1.099 0.000 0.680 526 V HN 0.527 nan 8.190 nan 0.000 0.469 527 F N -0.343 119.458 119.950 -0.248 0.000 2.645 527 F HA 0.403 4.929 4.527 -0.001 0.000 0.300 527 F C 1.988 177.712 175.800 -0.127 0.000 1.115 527 F CA 0.264 58.174 58.000 -0.150 0.000 1.355 527 F CB -0.384 38.554 39.000 -0.103 0.000 1.026 527 F HN 0.178 nan 8.300 nan 0.000 0.536 528 A N 0.739 123.535 122.820 -0.040 0.000 1.986 528 A HA -0.198 4.122 4.320 -0.001 0.000 0.220 528 A C 2.050 179.583 177.584 -0.086 0.000 1.171 528 A CA 1.577 53.581 52.037 -0.056 0.000 0.640 528 A CB -0.284 18.677 19.000 -0.066 0.000 0.811 528 A HN 0.379 nan 8.150 nan 0.000 0.451 529 K N -1.360 118.985 120.400 -0.091 0.000 2.387 529 K HA 0.138 4.458 4.320 -0.001 0.000 0.203 529 K C 1.452 178.028 176.600 -0.040 0.000 1.030 529 K CA 0.109 56.321 56.287 -0.126 0.000 1.099 529 K CB 0.443 32.791 32.500 -0.253 0.000 0.863 529 K HN 0.450 nan 8.250 nan 0.000 0.529 530 K N 1.510 121.921 120.400 0.018 0.000 2.063 530 K HA -0.130 4.190 4.320 -0.001 0.000 0.208 530 K C 1.373 177.967 176.600 -0.010 0.000 1.048 530 K CA 1.462 57.769 56.287 0.034 0.000 0.928 530 K CB 0.137 32.668 32.500 0.052 0.000 0.713 530 K HN 0.020 nan 8.250 nan 0.000 0.442 531 N N 0.910 119.596 118.700 -0.023 0.000 2.381 531 N HA -0.109 4.630 4.740 -0.001 0.000 0.182 531 N C 0.672 176.165 175.510 -0.029 0.000 1.025 531 N CA 0.940 53.971 53.050 -0.031 0.000 0.888 531 N CB 0.169 38.636 38.487 -0.033 0.000 0.965 531 N HN 0.377 nan 8.380 nan 0.000 0.438 532 Q N -0.663 119.117 119.800 -0.033 0.000 2.204 532 Q HA 0.276 4.616 4.340 -0.001 0.000 0.209 532 Q C 0.167 176.157 176.000 -0.018 0.000 0.861 532 Q CA -0.129 55.654 55.803 -0.033 0.000 0.971 532 Q CB 0.642 29.350 28.738 -0.051 0.000 1.095 532 Q HN 0.323 nan 8.270 nan 0.000 0.486 533 G N 1.489 110.288 108.800 -0.002 0.000 2.132 533 G HA2 -0.241 3.719 3.960 -0.001 0.000 0.228 533 G HA3 -0.241 3.719 3.960 -0.001 0.000 0.228 533 G C -0.047 174.896 174.900 0.071 0.000 1.000 533 G CA -0.287 44.827 45.100 0.024 0.000 0.693 533 G HN 0.359 nan 8.290 nan 0.000 0.515 534 I N 0.705 121.317 120.570 0.070 0.000 2.464 534 I HA 0.267 4.436 4.170 -0.001 0.000 0.277 534 I C 1.114 177.320 176.117 0.148 0.000 1.040 534 I CA -0.997 60.404 61.300 0.168 0.000 1.153 534 I CB 1.254 39.282 38.000 0.046 0.000 1.274 534 I HN -0.062 nan 8.210 nan 0.000 0.469 535 L N 4.508 125.828 121.223 0.162 0.000 2.313 535 L HA 0.159 4.498 4.340 -0.001 0.000 0.214 535 L C 0.626 177.590 176.870 0.157 0.000 1.119 535 L CA 1.254 56.162 54.840 0.112 0.000 0.809 535 L CB -0.616 41.467 42.059 0.041 0.000 0.933 535 L HN 0.502 nan 8.230 nan 0.000 0.449 536 E N -1.529 118.731 120.200 0.101 0.000 2.275 536 E HA 0.375 4.725 4.350 -0.001 0.000 0.270 536 E C -1.610 174.876 176.600 -0.189 0.000 0.882 536 E CA -0.493 55.837 56.400 -0.116 0.000 0.758 536 E CB 2.465 32.109 29.700 -0.093 0.000 1.195 536 E HN -0.138 nan 8.360 nan 0.000 0.419 537 F N 2.549 122.116 119.950 -0.639 0.000 2.557 537 F HA 0.345 4.871 4.527 -0.001 0.000 0.316 537 F C -1.307 174.118 175.800 -0.624 0.000 1.141 537 F CA -0.459 57.218 58.000 -0.538 0.000 0.922 537 F CB 0.876 39.684 39.000 -0.320 0.000 1.194 537 F HN 0.477 nan 8.300 nan 0.000 0.443 538 Y N 4.148 123.893 120.300 -0.925 0.000 2.681 538 Y HA 0.352 4.901 4.550 -0.001 0.000 0.267 538 Y C 1.335 177.161 175.900 -0.123 0.000 1.166 538 Y CA -0.351 57.586 58.100 -0.273 0.000 1.209 538 Y CB 0.408 38.797 38.460 -0.117 0.000 1.161 538 Y HN 0.721 nan 8.280 nan 0.000 0.534 539 G N 0.012 108.328 108.800 -0.806 0.000 2.414 539 G HA2 0.046 4.005 3.960 -0.001 0.000 0.236 539 G HA3 0.046 4.005 3.960 -0.001 0.000 0.236 539 G C 0.174 175.092 174.900 0.030 0.000 1.293 539 G CA 0.117 45.029 45.100 -0.314 0.000 0.869 539 G HN 0.527 nan 8.290 nan 0.000 0.556 540 D N -0.204 120.191 120.400 -0.008 0.000 2.837 540 D HA -0.156 4.484 4.640 -0.001 0.000 0.230 540 D C 0.206 176.514 176.300 0.014 0.000 1.152 540 D CA 1.430 55.411 54.000 -0.032 0.000 0.736 540 D CB -0.519 40.277 40.800 -0.006 0.000 1.084 540 D HN 0.583 nan 8.370 nan 0.000 0.429 541 D N 0.877 121.315 120.400 0.064 0.000 2.600 541 D HA 0.380 5.019 4.640 -0.001 0.000 0.226 541 D C -0.037 176.142 176.300 -0.201 0.000 1.119 541 D CA 0.044 53.994 54.000 -0.083 0.000 1.051 541 D CB -0.317 40.624 40.800 0.235 0.000 1.106 541 D HN 0.437 nan 8.370 nan 0.000 0.491 542 I N 0.887 121.260 120.570 -0.329 0.000 2.775 542 I HA 0.650 4.819 4.170 -0.001 0.000 0.295 542 I C -1.797 174.113 176.117 -0.344 0.000 1.287 542 I CA -0.611 60.487 61.300 -0.338 0.000 1.029 542 I CB 1.764 39.494 38.000 -0.450 0.000 1.282 542 I HN 0.242 nan 8.210 nan 0.000 0.426 543 A N 7.044 129.845 122.820 -0.032 0.000 2.574 543 A HA 0.823 5.142 4.320 -0.001 0.000 0.297 543 A C -2.160 175.642 177.584 0.362 0.000 1.062 543 A CA -0.483 51.676 52.037 0.204 0.000 0.686 543 A CB 1.721 20.833 19.000 0.187 0.000 1.285 543 A HN 0.599 nan 8.150 nan 0.000 0.403 544 L N 1.405 122.876 121.223 0.412 0.000 2.365 544 L HA 0.607 4.947 4.340 -0.001 0.000 0.273 544 L C -1.347 175.689 176.870 0.277 0.000 1.000 544 L CA -0.890 54.181 54.840 0.386 0.000 0.819 544 L CB 1.909 44.221 42.059 0.423 0.000 1.284 544 L HN 0.532 nan 8.230 nan 0.000 0.418 545 L N 3.413 124.769 121.223 0.221 0.000 2.333 545 L HA 0.435 4.774 4.340 -0.001 0.000 0.280 545 L C -0.138 176.596 176.870 -0.226 0.000 1.004 545 L CA -0.374 54.479 54.840 0.022 0.000 0.820 545 L CB 1.486 43.579 42.059 0.057 0.000 1.247 545 L HN 0.434 nan 8.230 nan 0.000 0.416 546 K N 3.931 123.954 120.400 -0.629 0.000 2.234 546 K HA 0.538 4.857 4.320 -0.001 0.000 0.277 546 K C -0.680 175.627 176.600 -0.488 0.000 1.038 546 K CA -0.521 55.125 56.287 -1.068 0.000 0.888 546 K CB 0.694 32.281 32.500 -1.522 0.000 1.091 546 K HN 0.528 nan 8.250 nan 0.000 0.467 547 L N 3.313 124.316 121.223 -0.366 0.000 2.436 547 L HA 0.156 4.495 4.340 -0.001 0.000 0.265 547 L C 1.453 178.269 176.870 -0.089 0.000 1.168 547 L CA -0.287 54.473 54.840 -0.132 0.000 0.815 547 L CB 1.102 43.107 42.059 -0.090 0.000 1.109 547 L HN 0.849 nan 8.230 nan 0.000 0.462 548 A N 1.310 124.140 122.820 0.016 0.000 2.014 548 A HA -0.002 4.318 4.320 -0.001 0.000 0.218 548 A C 0.815 178.421 177.584 0.036 0.000 1.163 548 A CA 0.978 53.016 52.037 0.002 0.000 0.652 548 A CB -0.008 18.994 19.000 0.004 0.000 0.808 548 A HN 0.724 nan 8.150 nan 0.000 0.449 549 Q N -0.509 119.370 119.800 0.133 0.000 2.484 549 Q HA 0.372 4.711 4.340 -0.001 0.000 0.285 549 Q C -1.121 174.995 176.000 0.194 0.000 1.097 549 Q CA -0.601 55.286 55.803 0.140 0.000 0.802 549 Q CB 1.383 30.197 28.738 0.127 0.000 1.444 549 Q HN 0.370 nan 8.270 nan 0.000 0.429 550 K N 0.529 121.008 120.400 0.132 0.000 2.382 550 K HA 0.258 4.577 4.320 -0.001 0.000 0.275 550 K C -0.174 176.527 176.600 0.169 0.000 1.009 550 K CA -0.268 56.077 56.287 0.097 0.000 0.970 550 K CB 0.476 33.017 32.500 0.069 0.000 0.934 550 K HN 0.230 nan 8.250 nan 0.000 0.479 551 V N 3.884 123.808 119.914 0.017 0.000 2.583 551 V HA 0.042 4.162 4.120 -0.001 0.000 0.287 551 V C 0.340 176.475 176.094 0.069 0.000 1.051 551 V CA -0.548 61.752 62.300 0.000 0.000 1.010 551 V CB 0.886 32.559 31.823 -0.252 0.000 0.988 551 V HN 0.576 nan 8.190 nan 0.000 0.478 552 K N 5.091 125.563 120.400 0.120 0.000 2.339 552 K HA 0.367 4.687 4.320 -0.001 0.000 0.286 552 K C -0.154 176.476 176.600 0.051 0.000 1.050 552 K CA -0.204 56.128 56.287 0.076 0.000 0.956 552 K CB 0.643 33.188 32.500 0.076 0.000 0.990 552 K HN 0.499 nan 8.250 nan 0.000 0.475 553 M N 1.650 121.271 119.600 0.036 0.000 2.238 553 M HA 0.112 4.592 4.480 -0.001 0.000 0.347 553 M C 0.668 176.987 176.300 0.032 0.000 1.173 553 M CA 0.259 55.577 55.300 0.029 0.000 1.147 553 M CB 0.259 32.875 32.600 0.027 0.000 1.547 553 M HN 0.792 nan 8.290 nan 0.000 0.455 554 S N 0.134 115.856 115.700 0.037 0.000 2.703 554 S HA 0.366 4.836 4.470 -0.001 0.000 0.273 554 S C 0.691 175.323 174.600 0.052 0.000 1.178 554 S CA -0.119 58.108 58.200 0.044 0.000 0.838 554 S CB 0.717 63.950 63.200 0.054 0.000 1.178 554 S HN 0.726 nan 8.310 nan 0.000 0.494 555 T N -1.266 113.332 114.554 0.073 0.000 2.869 555 T HA -0.144 4.206 4.350 -0.001 0.000 0.270 555 T C 1.057 175.734 174.700 -0.038 0.000 1.082 555 T CA 2.122 64.246 62.100 0.040 0.000 1.123 555 T CB -0.755 68.158 68.868 0.075 0.000 0.856 555 T HN 0.764 nan 8.240 nan 0.000 0.499 556 H N 1.019 120.046 119.070 -0.071 0.000 2.740 556 H HA 0.712 5.268 4.556 -0.001 0.000 0.265 556 H C 0.644 175.917 175.328 -0.093 0.000 0.978 556 H CA 0.133 56.125 56.048 -0.093 0.000 1.198 556 H CB 0.620 30.338 29.762 -0.072 0.000 1.467 556 H HN 0.563 nan 8.280 nan 0.000 0.511 557 A N 1.104 123.946 122.820 0.037 0.000 2.499 557 A HA 0.701 5.021 4.320 -0.001 0.000 0.280 557 A C -0.598 176.990 177.584 0.006 0.000 1.135 557 A CA -0.713 51.324 52.037 -0.001 0.000 0.744 557 A CB 1.088 20.094 19.000 0.010 0.000 1.213 557 A HN 0.227 nan 8.150 nan 0.000 0.434 558 R N 2.058 122.566 120.500 0.013 0.000 2.707 558 R HA 0.573 4.912 4.340 -0.001 0.000 0.272 558 R C -3.186 173.172 176.300 0.096 0.000 1.011 558 R CA -1.984 54.147 56.100 0.051 0.000 0.893 558 R CB 2.223 32.565 30.300 0.070 0.000 1.233 558 R HN 0.363 nan 8.270 nan 0.000 0.464 559 P HA 0.120 nan 4.420 nan 0.000 0.271 559 P C -0.352 176.986 177.300 0.063 0.000 1.218 559 P CA -0.243 62.897 63.100 0.066 0.000 0.780 559 P CB 0.628 32.338 31.700 0.017 0.000 0.901 560 I N 2.078 122.645 120.570 -0.005 0.000 2.823 560 I HA 0.109 4.279 4.170 -0.001 0.000 0.290 560 I C -0.235 175.729 176.117 -0.255 0.000 1.091 560 I CA -0.433 60.688 61.300 -0.299 0.000 1.365 560 I CB 0.586 38.118 38.000 -0.781 0.000 1.427 560 I HN 0.328 nan 8.210 nan 0.000 0.583 561 c N 7.025 125.413 118.600 -0.352 0.000 2.593 561 c HA 0.341 4.910 4.570 -0.001 0.000 0.409 561 c C -0.026 173.994 174.090 -0.116 0.000 1.304 561 c CA -0.700 55.477 56.329 -0.252 0.000 2.007 561 c CB -0.200 42.060 42.510 -0.417 0.000 2.614 561 c HN 0.387 nan 8.230 nan 0.000 0.585 562 L N 6.843 128.033 121.223 -0.056 0.000 2.289 562 L HA 0.496 4.835 4.340 -0.001 0.000 0.285 562 L C -1.628 175.281 176.870 0.064 0.000 1.049 562 L CA -1.931 52.896 54.840 -0.022 0.000 0.804 562 L CB 0.617 42.634 42.059 -0.070 0.000 1.195 562 L HN 0.465 nan 8.230 nan 0.000 0.428 563 P HA 0.051 nan 4.420 nan 0.000 0.270 563 P C 0.049 177.491 177.300 0.237 0.000 1.223 563 P CA -0.195 63.017 63.100 0.188 0.000 0.785 563 P CB 0.523 32.210 31.700 -0.021 0.000 0.923 564 c N -1.481 117.407 118.600 0.480 0.000 4.475 564 c HA -0.102 4.468 4.570 -0.001 0.000 0.280 564 c C 0.917 175.080 174.090 0.122 0.000 1.338 564 c CA 1.055 57.486 56.329 0.170 0.000 1.893 564 c CB -3.387 39.252 42.510 0.215 0.000 1.299 564 c HN 0.890 nan 8.230 nan 0.000 0.767 565 T N -3.877 110.735 114.554 0.097 0.000 2.932 565 T HA 0.690 5.039 4.350 -0.001 0.000 0.289 565 T C 0.512 175.248 174.700 0.060 0.000 1.039 565 T CA -0.294 61.773 62.100 -0.055 0.000 1.024 565 T CB 1.422 70.165 68.868 -0.209 0.000 1.090 565 T HN 0.069 nan 8.240 nan 0.000 0.496 566 M N 0.751 120.355 119.600 0.007 0.000 2.213 566 M HA 0.037 4.517 4.480 -0.001 0.000 0.263 566 M C 1.700 178.038 176.300 0.063 0.000 1.062 566 M CA 1.646 56.975 55.300 0.048 0.000 1.105 566 M CB -1.182 31.430 32.600 0.020 0.000 1.385 566 M HN 0.795 nan 8.290 nan 0.000 0.417 567 E N 0.122 120.337 120.200 0.025 0.000 2.051 567 E HA -0.084 4.265 4.350 -0.001 0.000 0.192 567 E C 2.083 178.731 176.600 0.080 0.000 0.991 567 E CA 1.787 58.205 56.400 0.029 0.000 0.799 567 E CB -0.792 28.898 29.700 -0.017 0.000 0.748 567 E HN 0.598 nan 8.360 nan 0.000 0.449 568 A N 1.044 123.941 122.820 0.128 0.000 1.902 568 A HA -0.256 4.064 4.320 -0.001 0.000 0.217 568 A C 2.099 179.785 177.584 0.170 0.000 1.181 568 A CA 1.706 53.892 52.037 0.250 0.000 0.623 568 A CB -0.790 18.381 19.000 0.286 0.000 0.818 568 A HN 0.303 nan 8.150 nan 0.000 0.443 569 N N -0.462 118.383 118.700 0.241 0.000 2.104 569 N HA -0.190 4.549 4.740 -0.001 0.000 0.190 569 N C 1.774 177.347 175.510 0.106 0.000 1.024 569 N CA 1.749 54.930 53.050 0.218 0.000 0.853 569 N CB -0.167 38.492 38.487 0.286 0.000 1.008 569 N HN 0.373 nan 8.380 nan 0.000 0.424 570 L N 1.418 122.702 121.223 0.102 0.000 2.027 570 L HA -0.001 4.338 4.340 -0.001 0.000 0.206 570 L C 2.403 179.321 176.870 0.081 0.000 1.074 570 L CA 1.754 56.640 54.840 0.077 0.000 0.745 570 L CB -0.973 41.126 42.059 0.067 0.000 0.898 570 L HN 0.146 nan 8.230 nan 0.000 0.433 571 A N -0.529 122.357 122.820 0.111 0.000 1.948 571 A HA -0.204 4.116 4.320 -0.001 0.000 0.220 571 A C 2.196 179.879 177.584 0.165 0.000 1.177 571 A CA 2.199 54.327 52.037 0.151 0.000 0.636 571 A CB -0.964 18.163 19.000 0.212 0.000 0.815 571 A HN 0.507 nan 8.150 nan 0.000 0.449 572 L N -2.091 119.188 121.223 0.093 0.000 2.554 572 L HA 0.087 4.426 4.340 -0.001 0.000 0.226 572 L C 0.674 177.517 176.870 -0.045 0.000 1.137 572 L CA 0.141 54.945 54.840 -0.061 0.000 0.863 572 L CB -0.114 41.772 42.059 -0.288 0.000 0.985 572 L HN 0.374 nan 8.230 nan 0.000 0.451 573 R N 0.360 120.861 120.500 0.002 0.000 3.422 573 R HA -0.137 4.202 4.340 -0.001 0.000 0.267 573 R C -0.210 176.086 176.300 -0.007 0.000 1.074 573 R CA 0.291 56.392 56.100 0.001 0.000 0.718 573 R CB -1.425 28.867 30.300 -0.013 0.000 1.157 573 R HN 0.252 nan 8.270 nan 0.000 0.440 574 R N 0.169 120.674 120.500 0.010 0.000 2.674 574 R HA 0.416 4.756 4.340 -0.001 0.000 0.266 574 R C -2.116 174.209 176.300 0.041 0.000 1.016 574 R CA -2.241 53.872 56.100 0.022 0.000 1.062 574 R CB 0.351 30.680 30.300 0.048 0.000 1.142 574 R HN -0.122 nan 8.270 nan 0.000 0.517 575 P HA -0.018 nan 4.420 nan 0.000 0.266 575 P C 0.560 177.883 177.300 0.038 0.000 1.193 575 P CA -0.030 63.087 63.100 0.028 0.000 0.770 575 P CB 0.617 32.328 31.700 0.018 0.000 0.836 576 Q N 2.060 121.878 119.800 0.030 0.000 2.133 576 Q HA -0.138 4.202 4.340 -0.001 0.000 0.208 576 Q C 1.875 177.888 176.000 0.022 0.000 0.991 576 Q CA 2.301 58.121 55.803 0.029 0.000 0.867 576 Q CB -1.101 27.651 28.738 0.022 0.000 0.911 576 Q HN 0.707 nan 8.270 nan 0.000 0.417 577 G N 0.189 108.997 108.800 0.013 0.000 3.383 577 G HA2 0.136 4.096 3.960 -0.001 0.000 0.251 577 G HA3 0.136 4.096 3.960 -0.001 0.000 0.251 577 G C 0.022 174.918 174.900 -0.007 0.000 1.203 577 G CA -0.212 44.890 45.100 0.002 0.000 0.852 577 G HN 0.073 nan 8.290 nan 0.000 0.531 578 S N 0.519 116.218 115.700 -0.003 0.000 2.573 578 S HA 0.370 4.840 4.470 -0.001 0.000 0.277 578 S C 0.948 175.495 174.600 -0.090 0.000 1.346 578 S CA 0.167 58.355 58.200 -0.021 0.000 1.034 578 S CB 0.988 64.210 63.200 0.036 0.000 0.879 578 S HN 0.596 nan 8.310 nan 0.000 0.528 579 T N -1.697 112.800 114.554 -0.095 0.000 2.937 579 T HA 0.275 4.624 4.350 -0.001 0.000 0.283 579 T C 1.279 175.885 174.700 -0.156 0.000 1.012 579 T CA -0.770 61.270 62.100 -0.101 0.000 0.997 579 T CB 0.659 69.499 68.868 -0.047 0.000 1.136 579 T HN 0.577 nan 8.240 nan 0.000 0.551 580 c N 0.332 118.886 118.600 -0.076 0.000 2.413 580 c HA -0.017 4.553 4.570 -0.001 0.000 0.276 580 c C 2.930 177.063 174.090 0.072 0.000 1.248 580 c CA 1.426 57.773 56.329 0.030 0.000 1.742 580 c CB -1.411 41.165 42.510 0.110 0.000 2.017 580 c HN 1.084 nan 8.230 nan 0.000 0.481 581 R N 1.319 121.824 120.500 0.008 0.000 2.091 581 R HA -0.106 4.234 4.340 -0.001 0.000 0.238 581 R C 1.734 178.007 176.300 -0.045 0.000 1.136 581 R CA 2.413 58.491 56.100 -0.038 0.000 0.959 581 R CB -0.925 29.352 30.300 -0.039 0.000 0.856 581 R HN 0.549 nan 8.270 nan 0.000 0.437 582 D N -0.694 119.698 120.400 -0.013 0.000 2.117 582 D HA -0.154 4.485 4.640 -0.001 0.000 0.197 582 D C 1.732 178.098 176.300 0.110 0.000 0.987 582 D CA 1.274 55.289 54.000 0.024 0.000 0.829 582 D CB -0.359 40.465 40.800 0.039 0.000 0.961 582 D HN 0.381 nan 8.370 nan 0.000 0.460 583 H N 0.677 119.749 119.070 0.003 0.000 2.389 583 H HA -0.017 4.539 4.556 -0.001 0.000 0.299 583 H C 1.977 177.276 175.328 -0.048 0.000 1.081 583 H CA 1.028 57.100 56.048 0.040 0.000 1.345 583 H CB -0.174 29.705 29.762 0.194 0.000 1.393 583 H HN 0.328 nan 8.280 nan 0.000 0.520 584 E N 0.292 120.393 120.200 -0.165 0.000 2.077 584 E HA -0.178 4.171 4.350 -0.001 0.000 0.193 584 E C 1.651 178.010 176.600 -0.402 0.000 0.989 584 E CA 0.968 56.866 56.400 -0.835 0.000 0.800 584 E CB 0.190 29.250 29.700 -1.066 0.000 0.746 584 E HN 0.340 nan 8.360 nan 0.000 0.452 585 N N 0.786 119.350 118.700 -0.226 0.000 2.120 585 N HA -0.198 4.541 4.740 -0.001 0.000 0.188 585 N C 1.706 177.143 175.510 -0.122 0.000 1.024 585 N CA 1.342 54.304 53.050 -0.146 0.000 0.852 585 N CB -0.417 38.013 38.487 -0.095 0.000 1.003 585 N HN 0.212 nan 8.380 nan 0.000 0.424 586 E N 0.888 121.025 120.200 -0.105 0.000 2.058 586 E HA -0.041 4.308 4.350 -0.001 0.000 0.194 586 E C 1.897 178.406 176.600 -0.152 0.000 0.997 586 E CA 1.096 57.422 56.400 -0.124 0.000 0.801 586 E CB -0.281 29.331 29.700 -0.147 0.000 0.746 586 E HN 0.337 nan 8.360 nan 0.000 0.450 587 L N -0.740 120.395 121.223 -0.147 0.000 2.249 587 L HA 0.115 4.455 4.340 -0.001 0.000 0.207 587 L C 1.118 177.942 176.870 -0.076 0.000 1.090 587 L CA 0.411 55.181 54.840 -0.118 0.000 0.802 587 L CB 0.142 42.184 42.059 -0.029 0.000 0.947 587 L HN 0.102 nan 8.230 nan 0.000 0.453 588 L N 0.151 121.310 121.223 -0.107 0.000 3.168 588 L HA 0.180 4.519 4.340 -0.001 0.000 0.277 588 L C 0.779 177.594 176.870 -0.091 0.000 1.308 588 L CA -0.237 54.552 54.840 -0.085 0.000 0.976 588 L CB -0.048 41.949 42.059 -0.104 0.000 1.383 588 L HN 0.214 nan 8.230 nan 0.000 0.572 589 N N -0.493 118.156 118.700 -0.085 0.000 2.300 589 N HA -0.074 4.666 4.740 -0.001 0.000 0.179 589 N C 0.542 176.021 175.510 -0.053 0.000 1.016 589 N CA 0.563 53.568 53.050 -0.075 0.000 0.876 589 N CB 0.106 38.548 38.487 -0.075 0.000 0.979 589 N HN 0.274 nan 8.380 nan 0.000 0.432 590 K N 0.429 120.803 120.400 -0.043 0.000 2.126 590 K HA 0.148 4.468 4.320 -0.001 0.000 0.257 590 K C 0.501 177.094 176.600 -0.012 0.000 1.007 590 K CA -0.313 55.957 56.287 -0.029 0.000 0.928 590 K CB 0.831 33.313 32.500 -0.030 0.000 1.013 590 K HN 0.115 nan 8.250 nan 0.000 0.473 591 Q N 0.009 119.806 119.800 -0.004 0.000 2.369 591 Q HA -0.052 4.287 4.340 -0.001 0.000 0.206 591 Q C 0.153 176.167 176.000 0.024 0.000 0.963 591 Q CA 0.736 56.549 55.803 0.016 0.000 0.894 591 Q CB 0.390 29.139 28.738 0.017 0.000 0.965 591 Q HN 0.327 nan 8.270 nan 0.000 0.475 592 S N -0.012 115.692 115.700 0.007 0.000 2.736 592 S HA 0.403 4.873 4.470 -0.001 0.000 0.285 592 S C -1.215 173.378 174.600 -0.012 0.000 1.163 592 S CA -0.688 57.514 58.200 0.004 0.000 1.025 592 S CB 1.290 64.487 63.200 -0.005 0.000 1.030 592 S HN -0.070 nan 8.310 nan 0.000 0.486 593 V N 7.255 127.164 119.914 -0.010 0.000 2.350 593 V HA 0.443 4.562 4.120 -0.001 0.000 0.285 593 V C -2.385 173.675 176.094 -0.056 0.000 1.014 593 V CA -2.050 60.234 62.300 -0.026 0.000 0.831 593 V CB 1.325 33.143 31.823 -0.008 0.000 1.000 593 V HN 0.671 nan 8.190 nan 0.000 0.433 594 P HA 0.366 nan 4.420 nan 0.000 0.264 594 P C -0.249 176.909 177.300 -0.237 0.000 1.193 594 P CA 0.567 63.577 63.100 -0.150 0.000 0.763 594 P CB 0.827 32.455 31.700 -0.120 0.000 0.810 595 A N 3.125 125.706 122.820 -0.398 0.000 2.529 595 A HA 0.807 5.127 4.320 -0.001 0.000 0.296 595 A C -1.418 175.634 177.584 -0.887 0.000 1.205 595 A CA -0.388 51.345 52.037 -0.507 0.000 0.671 595 A CB 1.288 20.157 19.000 -0.219 0.000 1.301 595 A HN 0.572 nan 8.150 nan 0.000 0.450 596 H N -1.290 117.514 119.070 -0.443 0.000 3.016 596 H HA 0.661 5.217 4.556 -0.001 0.000 0.362 596 H C -1.534 173.535 175.328 -0.431 0.000 1.233 596 H CA -0.079 55.620 56.048 -0.582 0.000 1.124 596 H CB 1.727 30.869 29.762 -1.033 0.000 1.850 596 H HN 0.829 nan 8.280 nan 0.000 0.549 597 F N -1.296 118.580 119.950 -0.125 0.000 2.650 597 F HA 0.686 5.213 4.527 -0.001 0.000 0.320 597 F C -1.410 174.481 175.800 0.152 0.000 1.091 597 F CA -1.103 56.941 58.000 0.073 0.000 0.962 597 F CB 0.698 39.710 39.000 0.020 0.000 1.363 597 F HN 0.148 nan 8.300 nan 0.000 0.482 598 V N 2.361 122.461 119.914 0.311 0.000 2.427 598 V HA 0.711 4.831 4.120 -0.001 0.000 0.286 598 V C 0.510 176.665 176.094 0.100 0.000 1.034 598 V CA -0.439 61.849 62.300 -0.020 0.000 0.893 598 V CB 0.902 32.446 31.823 -0.465 0.000 0.982 598 V HN 1.146 nan 8.190 nan 0.000 0.452 599 A N 4.321 127.125 122.820 -0.026 0.000 2.296 599 A HA 0.523 4.843 4.320 -0.001 0.000 0.264 599 A C 1.232 178.874 177.584 0.097 0.000 1.097 599 A CA -0.333 51.757 52.037 0.089 0.000 0.811 599 A CB 0.195 19.198 19.000 0.006 0.000 1.072 599 A HN 0.881 nan 8.150 nan 0.000 0.495 600 L N 0.121 121.416 121.223 0.119 0.000 2.081 600 L HA -0.229 4.110 4.340 -0.001 0.000 0.212 600 L C 2.036 178.950 176.870 0.075 0.000 1.080 600 L CA 1.892 56.796 54.840 0.106 0.000 0.754 600 L CB -0.596 41.514 42.059 0.084 0.000 0.893 600 L HN 0.959 nan 8.230 nan 0.000 0.433 601 N N -0.147 118.576 118.700 0.038 0.000 2.398 601 N HA 0.019 4.759 4.740 -0.001 0.000 0.188 601 N C 1.199 176.690 175.510 -0.032 0.000 1.122 601 N CA 0.882 53.938 53.050 0.009 0.000 0.866 601 N CB 0.493 38.981 38.487 0.002 0.000 0.970 601 N HN 0.294 nan 8.380 nan 0.000 0.462 602 G N -1.241 107.528 108.800 -0.052 0.000 2.194 602 G HA2 -0.260 3.700 3.960 -0.001 0.000 0.236 602 G HA3 -0.260 3.700 3.960 -0.001 0.000 0.236 602 G C -0.103 174.689 174.900 -0.180 0.000 0.987 602 G CA 0.167 45.186 45.100 -0.135 0.000 0.635 602 G HN 0.430 nan 8.290 nan 0.000 0.520 603 S N 0.569 116.190 115.700 -0.133 0.000 2.564 603 S HA 0.399 4.869 4.470 -0.001 0.000 0.278 603 S C 0.517 175.012 174.600 -0.175 0.000 1.333 603 S CA 0.041 58.159 58.200 -0.138 0.000 1.048 603 S CB 1.240 64.379 63.200 -0.102 0.000 0.900 603 S HN 0.532 nan 8.310 nan 0.000 0.505 604 K N 4.047 124.349 120.400 -0.163 0.000 2.316 604 K HA 0.302 4.622 4.320 -0.001 0.000 0.289 604 K C -0.798 175.683 176.600 -0.198 0.000 1.070 604 K CA -0.153 56.039 56.287 -0.158 0.000 0.928 604 K CB 0.090 32.513 32.500 -0.128 0.000 1.039 604 K HN 0.497 nan 8.250 nan 0.000 0.480 605 L N 3.147 124.152 121.223 -0.363 0.000 2.332 605 L HA 0.438 4.778 4.340 -0.001 0.000 0.269 605 L C -0.181 176.517 176.870 -0.287 0.000 1.016 605 L CA -1.400 53.189 54.840 -0.418 0.000 0.809 605 L CB 1.507 43.109 42.059 -0.763 0.000 1.280 605 L HN 0.633 nan 8.230 nan 0.000 0.447 606 N N 1.827 120.428 118.700 -0.165 0.000 2.361 606 N HA 0.732 5.471 4.740 -0.001 0.000 0.302 606 N C -0.849 174.609 175.510 -0.086 0.000 1.074 606 N CA -0.405 52.576 53.050 -0.114 0.000 0.850 606 N CB 2.351 40.807 38.487 -0.052 0.000 1.228 606 N HN 0.555 nan 8.380 nan 0.000 0.491 607 I N -2.037 118.461 120.570 -0.120 0.000 3.191 607 I HA 0.601 4.771 4.170 -0.001 0.000 0.313 607 I C -1.217 174.850 176.117 -0.083 0.000 1.193 607 I CA -1.087 60.194 61.300 -0.031 0.000 0.968 607 I CB 2.421 40.464 38.000 0.072 0.000 1.262 607 I HN 0.177 nan 8.210 nan 0.000 0.456 608 N N 2.575 121.251 118.700 -0.041 0.000 2.442 608 N HA 0.556 5.295 4.740 -0.001 0.000 0.274 608 N C -1.355 174.152 175.510 -0.005 0.000 1.002 608 N CA -0.565 52.461 53.050 -0.041 0.000 0.910 608 N CB 2.023 40.487 38.487 -0.037 0.000 1.244 608 N HN 0.438 nan 8.380 nan 0.000 0.492 609 L N 2.315 123.547 121.223 0.014 0.000 2.367 609 L HA 0.293 4.632 4.340 -0.001 0.000 0.275 609 L C 0.280 177.197 176.870 0.079 0.000 1.129 609 L CA -0.205 54.679 54.840 0.073 0.000 0.839 609 L CB 0.285 42.404 42.059 0.101 0.000 1.133 609 L HN 0.270 nan 8.230 nan 0.000 0.453 610 K N 5.080 125.547 120.400 0.113 0.000 2.265 610 K HA 0.582 4.901 4.320 -0.001 0.000 0.267 610 K C -0.536 176.211 176.600 0.244 0.000 0.994 610 K CA -0.454 55.906 56.287 0.122 0.000 0.860 610 K CB 1.893 34.431 32.500 0.064 0.000 1.099 610 K HN 0.422 nan 8.250 nan 0.000 0.448 611 M N 0.515 120.222 119.600 0.178 0.000 2.664 611 M HA 0.440 4.919 4.480 -0.001 0.000 0.314 611 M C 1.077 177.462 176.300 0.142 0.000 1.200 611 M CA -0.473 54.924 55.300 0.161 0.000 0.916 611 M CB 0.839 33.474 32.600 0.058 0.000 1.717 611 M HN 0.786 nan 8.290 nan 0.000 0.470 612 G N 1.034 109.892 108.800 0.096 0.000 2.591 612 G HA2 -0.255 3.704 3.960 -0.001 0.000 0.298 612 G HA3 -0.255 3.704 3.960 -0.001 0.000 0.298 612 G C 0.702 175.688 174.900 0.144 0.000 1.195 612 G CA 0.329 45.471 45.100 0.069 0.000 0.989 612 G HN 0.527 nan 8.290 nan 0.000 0.551 613 V N 1.493 121.467 119.914 0.100 0.000 2.490 613 V HA -0.115 4.004 4.120 -0.001 0.000 0.250 613 V C 2.668 178.838 176.094 0.126 0.000 1.061 613 V CA 3.016 65.380 62.300 0.107 0.000 1.064 613 V CB -0.608 31.252 31.823 0.062 0.000 0.670 613 V HN 0.672 nan 8.190 nan 0.000 0.461 614 E N -1.428 118.843 120.200 0.118 0.000 2.208 614 E HA -0.247 4.102 4.350 -0.001 0.000 0.193 614 E C 1.899 178.583 176.600 0.138 0.000 0.988 614 E CA 1.197 57.655 56.400 0.097 0.000 0.828 614 E CB -0.167 29.573 29.700 0.067 0.000 0.763 614 E HN 0.802 nan 8.360 nan 0.000 0.478 615 W N 2.028 123.343 121.300 0.025 0.000 2.355 615 W HA -0.202 4.457 4.660 -0.001 0.000 0.309 615 W C 2.199 178.750 176.519 0.054 0.000 1.206 615 W CA 2.203 59.575 57.345 0.046 0.000 1.284 615 W CB -0.306 29.186 29.460 0.053 0.000 1.145 615 W HN -0.100 nan 8.180 nan 0.000 0.502 616 T N -0.085 114.673 114.554 0.339 0.000 2.684 616 T HA -0.271 4.078 4.350 -0.001 0.000 0.267 616 T C 1.987 176.682 174.700 -0.008 0.000 1.036 616 T CA 2.477 64.684 62.100 0.178 0.000 1.148 616 T CB -0.956 68.046 68.868 0.222 0.000 0.863 616 T HN 0.338 nan 8.240 nan 0.000 0.436 617 S N 0.762 116.469 115.700 0.011 0.000 2.368 617 S HA -0.145 4.325 4.470 -0.001 0.000 0.224 617 S C 2.389 176.947 174.600 -0.071 0.000 1.029 617 S CA 1.003 59.190 58.200 -0.021 0.000 0.988 617 S CB -1.322 61.877 63.200 -0.001 0.000 0.838 617 S HN 0.617 nan 8.310 nan 0.000 0.462 618 c N 2.244 120.779 118.600 -0.108 0.000 2.413 618 c HA 0.101 4.670 4.570 -0.001 0.000 0.276 618 c C 3.146 177.126 174.090 -0.184 0.000 1.236 618 c CA 1.103 57.336 56.329 -0.160 0.000 1.735 618 c CB -1.717 40.678 42.510 -0.193 0.000 2.031 618 c HN 0.698 nan 8.230 nan 0.000 0.474 619 A N -0.318 122.316 122.820 -0.309 0.000 1.968 619 A HA -0.089 4.230 4.320 -0.001 0.000 0.217 619 A C 2.243 179.739 177.584 -0.146 0.000 1.169 619 A CA 1.462 53.334 52.037 -0.275 0.000 0.638 619 A CB -0.763 17.763 19.000 -0.790 0.000 0.812 619 A HN 0.721 nan 8.150 nan 0.000 0.446 620 E N 0.912 121.039 120.200 -0.120 0.000 2.171 620 E HA -0.174 4.176 4.350 -0.001 0.000 0.197 620 E C 1.939 178.532 176.600 -0.011 0.000 0.997 620 E CA 1.895 58.262 56.400 -0.055 0.000 0.810 620 E CB -0.372 29.310 29.700 -0.030 0.000 0.738 620 E HN 0.603 nan 8.360 nan 0.000 0.467 621 V N -0.170 119.747 119.914 0.005 0.000 3.026 621 V HA -0.155 3.965 4.120 -0.001 0.000 0.265 621 V C 2.490 178.642 176.094 0.095 0.000 1.121 621 V CA 1.429 63.751 62.300 0.038 0.000 1.142 621 V CB -1.215 30.620 31.823 0.021 0.000 0.730 621 V HN 0.199 nan 8.190 nan 0.000 0.503 622 V N 0.351 120.334 119.914 0.115 0.000 2.688 622 V HA -0.175 3.945 4.120 -0.001 0.000 0.256 622 V C 2.698 178.917 176.094 0.209 0.000 1.084 622 V CA 2.147 64.572 62.300 0.208 0.000 1.103 622 V CB -1.700 30.174 31.823 0.086 0.000 0.688 622 V HN 0.800 nan 8.190 nan 0.000 0.480 623 S N 0.146 115.910 115.700 0.106 0.000 2.500 623 S HA -0.201 4.268 4.470 -0.001 0.000 0.239 623 S C 1.792 176.453 174.600 0.101 0.000 0.989 623 S CA 1.446 59.703 58.200 0.095 0.000 0.951 623 S CB -0.611 62.618 63.200 0.048 0.000 0.759 623 S HN 0.793 nan 8.310 nan 0.000 0.523 624 Q N 0.284 120.146 119.800 0.104 0.000 2.424 624 Q HA 0.185 4.525 4.340 -0.001 0.000 0.204 624 Q C 0.395 176.450 176.000 0.092 0.000 0.933 624 Q CA 0.477 56.328 55.803 0.080 0.000 0.929 624 Q CB 0.034 28.808 28.738 0.059 0.000 1.037 624 Q HN 0.449 nan 8.270 nan 0.000 0.511 625 E N 1.450 121.741 120.200 0.153 0.000 1.892 625 E HA 0.002 4.351 4.350 -0.001 0.000 0.271 625 E C 0.210 176.841 176.600 0.052 0.000 1.146 625 E CA 0.063 56.520 56.400 0.095 0.000 1.096 625 E CB 0.019 29.802 29.700 0.139 0.000 1.155 625 E HN -0.100 nan 8.360 nan 0.000 0.458 626 K N 1.252 121.669 120.400 0.029 0.000 2.418 626 K HA 0.044 4.363 4.320 -0.001 0.000 0.195 626 K C 1.056 177.640 176.600 -0.027 0.000 1.035 626 K CA 0.535 56.839 56.287 0.027 0.000 1.003 626 K CB 0.312 32.829 32.500 0.029 0.000 0.793 626 K HN 0.302 nan 8.250 nan 0.000 0.494 627 T N 0.983 115.490 114.554 -0.079 0.000 2.894 627 T HA -0.023 4.327 4.350 -0.001 0.000 0.258 627 T C 1.759 176.355 174.700 -0.173 0.000 1.043 627 T CA 0.770 62.813 62.100 -0.095 0.000 1.141 627 T CB 0.008 68.831 68.868 -0.074 0.000 0.873 627 T HN 0.026 nan 8.240 nan 0.000 0.449 628 M N 0.500 119.878 119.600 -0.369 0.000 2.388 628 M HA 0.272 4.751 4.480 -0.001 0.000 0.265 628 M C -0.306 175.681 176.300 -0.523 0.000 1.088 628 M CA 1.212 56.162 55.300 -0.583 0.000 1.134 628 M CB 0.027 32.034 32.600 -0.989 0.000 1.384 628 M HN 0.144 nan 8.290 nan 0.000 0.447 629 F N -0.203 119.756 119.950 0.015 0.000 2.530 629 F HA 0.383 4.910 4.527 -0.001 0.000 0.318 629 F C -1.724 174.077 175.800 0.001 0.000 1.356 629 F CA -1.864 56.137 58.000 0.002 0.000 1.135 629 F CB -0.043 38.962 39.000 0.008 0.000 1.315 629 F HN 0.046 nan 8.300 nan 0.000 0.549 630 P HA -0.176 nan 4.420 nan 0.000 0.220 630 P C 0.389 177.726 177.300 0.061 0.000 1.148 630 P CA 1.328 64.461 63.100 0.056 0.000 0.803 630 P CB 0.297 32.011 31.700 0.022 0.000 0.782 631 N N -0.151 118.592 118.700 0.071 0.000 2.914 631 N HA 0.200 4.940 4.740 -0.001 0.000 0.304 631 N C -1.291 174.244 175.510 0.041 0.000 1.727 631 N CA -0.537 52.539 53.050 0.043 0.000 0.986 631 N CB -0.650 37.850 38.487 0.021 0.000 1.297 631 N HN -0.118 nan 8.380 nan 0.000 0.490 632 L N 1.719 122.976 121.223 0.057 0.000 2.277 632 L HA 0.424 4.763 4.340 -0.001 0.000 0.284 632 L C 1.425 178.301 176.870 0.012 0.000 1.028 632 L CA -0.051 54.806 54.840 0.028 0.000 0.835 632 L CB 0.732 42.823 42.059 0.053 0.000 1.215 632 L HN 0.375 nan 8.230 nan 0.000 0.425 633 T N -0.098 114.453 114.554 -0.006 0.000 3.009 633 T HA 0.127 4.476 4.350 -0.001 0.000 0.258 633 T C 0.428 175.126 174.700 -0.004 0.000 1.063 633 T CA 0.329 62.427 62.100 -0.003 0.000 1.139 633 T CB 0.015 68.878 68.868 -0.009 0.000 0.890 633 T HN 0.491 nan 8.240 nan 0.000 0.471 634 D N -0.186 120.206 120.400 -0.013 0.000 2.964 634 D HA 0.308 4.948 4.640 -0.001 0.000 0.234 634 D C 1.029 177.316 176.300 -0.022 0.000 1.223 634 D CA -0.691 53.306 54.000 -0.005 0.000 0.889 634 D CB 2.362 43.165 40.800 0.004 0.000 1.609 634 D HN -0.139 nan 8.370 nan 0.000 0.523 635 V N 4.070 123.973 119.914 -0.018 0.000 2.370 635 V HA -0.243 3.877 4.120 -0.001 0.000 0.252 635 V C 2.206 178.278 176.094 -0.036 0.000 1.068 635 V CA 1.606 63.876 62.300 -0.051 0.000 1.061 635 V CB -0.335 31.463 31.823 -0.043 0.000 0.656 635 V HN 0.546 nan 8.190 nan 0.000 0.455 636 R N -0.306 120.217 120.500 0.037 0.000 2.307 636 R HA -0.018 4.322 4.340 -0.001 0.000 0.199 636 R C 1.892 178.243 176.300 0.084 0.000 1.000 636 R CA 0.299 56.463 56.100 0.107 0.000 1.023 636 R CB -0.305 30.080 30.300 0.141 0.000 0.908 636 R HN 0.555 nan 8.270 nan 0.000 0.473 637 E N 0.420 120.622 120.200 0.003 0.000 2.274 637 E HA -0.079 4.271 4.350 -0.001 0.000 0.194 637 E C 1.850 178.447 176.600 -0.004 0.000 0.996 637 E CA 1.081 57.455 56.400 -0.044 0.000 0.840 637 E CB 0.344 29.981 29.700 -0.104 0.000 0.772 637 E HN 0.298 nan 8.360 nan 0.000 0.491 638 V N -3.171 116.720 119.914 -0.039 0.000 3.137 638 V HA 0.166 4.285 4.120 -0.001 0.000 0.236 638 V C 1.110 177.175 176.094 -0.049 0.000 1.260 638 V CA -0.188 62.054 62.300 -0.097 0.000 1.244 638 V CB 0.269 31.681 31.823 -0.685 0.000 1.016 638 V HN -0.137 nan 8.190 nan 0.000 0.477 639 V N 4.397 124.240 119.914 -0.118 0.000 2.258 639 V HA 0.412 4.532 4.120 -0.001 0.000 0.258 639 V C 0.882 177.163 176.094 0.313 0.000 1.121 639 V CA 0.491 62.721 62.300 -0.116 0.000 0.942 639 V CB -0.520 31.002 31.823 -0.502 0.000 1.170 639 V HN 0.753 nan 8.190 nan 0.000 0.487 640 T N -0.085 114.792 114.554 0.539 0.000 2.732 640 T HA 0.119 4.469 4.350 -0.001 0.000 0.287 640 T C 1.127 176.147 174.700 0.533 0.000 0.993 640 T CA 0.100 62.499 62.100 0.498 0.000 0.966 640 T CB 0.828 69.963 68.868 0.445 0.000 1.047 640 T HN 0.618 nan 8.240 nan 0.000 0.527 641 D N -0.702 119.852 120.400 0.256 0.000 2.378 641 D HA -0.133 4.506 4.640 -0.001 0.000 0.222 641 D C 1.618 177.956 176.300 0.064 0.000 0.980 641 D CA 0.783 54.814 54.000 0.051 0.000 0.907 641 D CB -0.495 40.263 40.800 -0.070 0.000 0.899 641 D HN 0.712 nan 8.370 nan 0.000 0.527 642 Q N -1.000 118.839 119.800 0.064 0.000 2.436 642 Q HA 0.044 4.384 4.340 -0.001 0.000 0.209 642 Q C -0.286 175.552 176.000 -0.270 0.000 0.965 642 Q CA 0.413 56.113 55.803 -0.171 0.000 0.910 642 Q CB 0.038 28.547 28.738 -0.382 0.000 0.980 642 Q HN 0.346 nan 8.270 nan 0.000 0.491 643 F N 0.153 120.278 119.950 0.292 0.000 2.469 643 F HA 0.345 4.872 4.527 -0.001 0.000 0.332 643 F C 0.055 176.152 175.800 0.495 0.000 1.103 643 F CA -0.960 57.255 58.000 0.357 0.000 0.979 643 F CB 1.036 40.249 39.000 0.355 0.000 1.137 643 F HN -0.190 nan 8.300 nan 0.000 0.463 644 L N 2.359 123.919 121.223 0.561 0.000 2.453 644 L HA 0.410 4.750 4.340 -0.001 0.000 0.261 644 L C -0.217 176.897 176.870 0.407 0.000 1.179 644 L CA -0.443 54.720 54.840 0.538 0.000 0.813 644 L CB 1.040 43.353 42.059 0.424 0.000 1.110 644 L HN 0.668 nan 8.230 nan 0.000 0.466 645 c N 1.371 120.133 118.600 0.270 0.000 2.498 645 c HA 0.839 5.408 4.570 -0.001 0.000 0.316 645 c C 0.016 174.036 174.090 -0.117 0.000 1.209 645 c CA -0.134 56.121 56.329 -0.124 0.000 1.518 645 c CB 0.809 43.143 42.510 -0.294 0.000 2.147 645 c HN 0.955 nan 8.230 nan 0.000 0.483 646 S N 2.714 118.241 115.700 -0.289 0.000 2.752 646 S HA 0.883 5.353 4.470 -0.001 0.000 0.284 646 S C 0.198 174.647 174.600 -0.252 0.000 1.189 646 S CA 0.262 58.379 58.200 -0.138 0.000 0.835 646 S CB 0.994 64.234 63.200 0.068 0.000 1.192 646 S HN 2.489 nan 8.310 nan 0.000 0.506 647 G N 0.257 108.974 108.800 -0.138 0.000 2.192 647 G HA2 -0.082 3.877 3.960 -0.001 0.000 0.193 647 G HA3 -0.082 3.877 3.960 -0.001 0.000 0.193 647 G C 0.284 175.114 174.900 -0.118 0.000 0.999 647 G CA 0.501 45.514 45.100 -0.145 0.000 0.659 647 G HN 1.801 nan 8.290 nan 0.000 0.503 648 T N -1.013 113.476 114.554 -0.107 0.000 2.813 648 T HA 0.549 4.899 4.350 -0.001 0.000 0.297 648 T C 1.095 175.760 174.700 -0.059 0.000 1.036 648 T CA 1.090 63.141 62.100 -0.083 0.000 1.044 648 T CB 1.287 70.112 68.868 -0.072 0.000 0.993 648 T HN 1.050 nan 8.240 nan 0.000 0.535 649 Q N 0.226 119.994 119.800 -0.054 0.000 2.174 649 Q HA -0.248 4.092 4.340 -0.001 0.000 0.427 649 Q C 0.900 176.877 176.000 -0.038 0.000 0.692 649 Q CA 1.744 57.521 55.803 -0.043 0.000 0.909 649 Q CB -1.215 27.503 28.738 -0.034 0.000 3.026 649 Q HN 0.805 nan 8.270 nan 0.000 0.891 650 E N 1.366 121.549 120.200 -0.029 0.000 2.476 650 E HA 0.117 4.467 4.350 -0.001 0.000 0.191 650 E C -0.673 175.921 176.600 -0.011 0.000 1.064 650 E CA 0.216 56.604 56.400 -0.020 0.000 0.866 650 E CB -0.211 29.479 29.700 -0.018 0.000 0.952 650 E HN 0.256 nan 8.360 nan 0.000 0.492 651 D N 2.218 122.611 120.400 -0.011 0.000 2.449 651 D HA -0.033 4.607 4.640 -0.001 0.000 0.236 651 D C 0.547 176.876 176.300 0.049 0.000 1.149 651 D CA 0.543 54.551 54.000 0.013 0.000 0.878 651 D CB 0.705 41.509 40.800 0.007 0.000 1.198 651 D HN -0.110 nan 8.370 nan 0.000 0.446 652 E N 0.391 120.648 120.200 0.096 0.000 2.390 652 E HA 0.264 4.614 4.350 -0.001 0.000 0.261 652 E C -0.416 176.359 176.600 0.292 0.000 1.076 652 E CA 0.007 56.518 56.400 0.186 0.000 0.905 652 E CB 0.870 30.661 29.700 0.152 0.000 0.984 652 E HN 0.141 nan 8.360 nan 0.000 0.427 653 S N 2.113 117.971 115.700 0.265 0.000 2.561 653 S HA 0.425 4.894 4.470 -0.001 0.000 0.303 653 S C -2.483 172.132 174.600 0.025 0.000 1.110 653 S CA -1.383 56.875 58.200 0.097 0.000 1.034 653 S CB 1.735 64.992 63.200 0.095 0.000 1.010 653 S HN 0.207 nan 8.310 nan 0.000 0.482 654 P HA 0.199 nan 4.420 nan 0.000 0.269 654 P C -0.593 176.629 177.300 -0.130 0.000 1.209 654 P CA -0.312 62.514 63.100 -0.457 0.000 0.776 654 P CB 0.262 31.559 31.700 -0.670 0.000 0.876 655 c N 2.595 121.181 118.600 -0.024 0.000 2.403 655 c HA 0.189 4.759 4.570 -0.001 0.000 0.361 655 c C 2.383 176.462 174.090 -0.018 0.000 1.274 655 c CA -0.276 56.042 56.329 -0.018 0.000 2.433 655 c CB 0.128 42.653 42.510 0.025 0.000 2.323 655 c HN 0.711 nan 8.230 nan 0.000 0.614 656 K N 0.822 121.212 120.400 -0.016 0.000 2.063 656 K HA -0.140 4.179 4.320 -0.001 0.000 0.208 656 K C 1.792 178.412 176.600 0.033 0.000 1.048 656 K CA 2.004 58.296 56.287 0.008 0.000 0.928 656 K CB -0.565 31.938 32.500 0.004 0.000 0.713 656 K HN 0.920 nan 8.250 nan 0.000 0.442 657 G N 0.123 108.940 108.800 0.028 0.000 2.848 657 G HA2 -0.135 3.825 3.960 -0.001 0.000 0.208 657 G HA3 -0.135 3.825 3.960 -0.001 0.000 0.208 657 G C 0.709 175.638 174.900 0.049 0.000 1.152 657 G CA 0.134 45.251 45.100 0.028 0.000 0.789 657 G HN 0.435 nan 8.290 nan 0.000 0.531 658 E N 0.318 120.558 120.200 0.066 0.000 2.447 658 E HA 0.115 4.464 4.350 -0.001 0.000 0.195 658 E C 0.859 177.505 176.600 0.077 0.000 1.028 658 E CA -0.345 56.120 56.400 0.110 0.000 0.876 658 E CB 0.323 30.109 29.700 0.142 0.000 0.885 658 E HN 0.171 nan 8.360 nan 0.000 0.500 659 S N -0.063 115.666 115.700 0.049 0.000 2.561 659 S HA 0.138 4.607 4.470 -0.001 0.000 0.294 659 S C 1.261 175.851 174.600 -0.016 0.000 1.294 659 S CA 0.968 59.205 58.200 0.063 0.000 1.055 659 S CB 0.625 63.930 63.200 0.175 0.000 0.819 659 S HN 0.589 nan 8.310 nan 0.000 0.503 660 G N 2.239 111.034 108.800 -0.008 0.000 2.241 660 G HA2 -0.195 3.764 3.960 -0.001 0.000 0.244 660 G HA3 -0.195 3.764 3.960 -0.001 0.000 0.244 660 G C 0.429 175.362 174.900 0.054 0.000 0.998 660 G CA 0.011 45.087 45.100 -0.040 0.000 0.621 660 G HN 1.149 nan 8.290 nan 0.000 0.519 661 G N 0.471 109.340 108.800 0.115 0.000 2.569 661 G HA2 0.659 4.618 3.960 -0.001 0.000 0.249 661 G HA3 0.659 4.618 3.960 -0.001 0.000 0.249 661 G C 0.601 175.656 174.900 0.259 0.000 1.216 661 G CA 0.662 45.901 45.100 0.231 0.000 0.845 661 G HN 1.573 nan 8.290 nan 0.000 0.568 662 A N -0.081 122.951 122.820 0.353 0.000 2.462 662 A HA 0.467 4.786 4.320 -0.001 0.000 0.243 662 A C 0.121 177.946 177.584 0.402 0.000 1.076 662 A CA -0.154 52.074 52.037 0.318 0.000 0.773 662 A CB 0.553 19.693 19.000 0.233 0.000 1.010 662 A HN 0.795 nan 8.150 nan 0.000 0.493 663 V N 3.639 123.692 119.914 0.232 0.000 2.370 663 V HA 0.578 4.697 4.120 -0.001 0.000 0.279 663 V C -0.439 175.774 176.094 0.199 0.000 1.029 663 V CA -0.002 62.370 62.300 0.120 0.000 0.870 663 V CB 0.020 31.761 31.823 -0.138 0.000 0.984 663 V HN 0.795 nan 8.190 nan 0.000 0.451 664 F N 4.808 124.819 119.950 0.102 0.000 2.643 664 F HA 0.934 5.460 4.527 -0.001 0.000 0.314 664 F C -1.197 174.730 175.800 0.211 0.000 1.096 664 F CA -1.435 56.626 58.000 0.103 0.000 0.953 664 F CB 1.548 40.533 39.000 -0.026 0.000 1.345 664 F HN 0.288 nan 8.300 nan 0.000 0.468 665 L N 0.149 121.620 121.223 0.413 0.000 2.327 665 L HA 0.660 5.000 4.340 -0.001 0.000 0.258 665 L C -1.052 176.119 176.870 0.502 0.000 1.024 665 L CA -0.990 54.053 54.840 0.339 0.000 0.825 665 L CB 2.082 44.242 42.059 0.168 0.000 1.386 665 L HN 0.819 nan 8.230 nan 0.000 0.417 666 E N 1.609 122.017 120.200 0.347 0.000 2.171 666 E HA 0.527 4.877 4.350 -0.001 0.000 0.271 666 E C -1.351 175.267 176.600 0.031 0.000 0.916 666 E CA -0.735 55.723 56.400 0.097 0.000 0.774 666 E CB 1.453 31.168 29.700 0.024 0.000 1.128 666 E HN 0.490 nan 8.360 nan 0.000 0.403 667 R N 3.481 124.004 120.500 0.039 0.000 2.535 667 R HA 0.256 4.595 4.340 -0.001 0.000 0.274 667 R C -0.609 175.669 176.300 -0.037 0.000 1.090 667 R CA -0.821 55.255 56.100 -0.040 0.000 0.930 667 R CB 1.481 31.716 30.300 -0.107 0.000 1.223 667 R HN 0.723 nan 8.270 nan 0.000 0.441 668 R N 2.002 122.387 120.500 -0.192 0.000 3.322 668 R HA -0.222 4.118 4.340 -0.001 0.000 0.253 668 R C -0.615 175.622 176.300 -0.105 0.000 0.987 668 R CA 0.772 56.759 56.100 -0.189 0.000 0.666 668 R CB -1.482 28.792 30.300 -0.044 0.000 1.072 668 R HN 0.725 nan 8.270 nan 0.000 0.447 669 F N -2.870 116.990 119.950 -0.149 0.000 3.048 669 F HA -0.383 4.144 4.527 -0.000 0.000 0.287 669 F C 0.788 176.337 175.800 -0.419 0.000 0.796 669 F CA 1.384 59.231 58.000 -0.256 0.000 1.111 669 F CB -0.871 38.021 39.000 -0.181 0.000 1.320 669 F HN 0.232 nan 8.300 nan 0.000 0.430 670 R N -0.571 119.773 120.500 -0.261 0.000 2.854 670 R HA 0.720 5.059 4.340 -0.001 0.000 0.271 670 R C -0.769 175.141 176.300 -0.650 0.000 0.996 670 R CA -0.784 55.067 56.100 -0.415 0.000 0.961 670 R CB 1.225 31.351 30.300 -0.290 0.000 1.182 670 R HN -0.060 nan 8.270 nan 0.000 0.479 671 F N 1.096 120.747 119.950 -0.498 0.000 2.495 671 F HA 0.509 5.036 4.527 -0.001 0.000 0.327 671 F C -0.342 174.936 175.800 -0.870 0.000 1.103 671 F CA -0.592 57.146 58.000 -0.437 0.000 0.949 671 F CB 1.165 39.873 39.000 -0.487 0.000 1.142 671 F HN 0.251 nan 8.300 nan 0.000 0.457 672 F N 1.097 121.063 119.950 0.027 0.000 2.529 672 F HA 0.368 4.894 4.527 -0.001 0.000 0.320 672 F C -0.156 175.631 175.800 -0.022 0.000 1.118 672 F CA -0.956 57.017 58.000 -0.045 0.000 0.915 672 F CB 1.923 40.914 39.000 -0.014 0.000 1.161 672 F HN 0.349 nan 8.300 nan 0.000 0.445 673 Q N 2.346 122.162 119.800 0.027 0.000 2.314 673 Q HA 0.392 4.732 4.340 -0.001 0.000 0.257 673 Q C 0.326 176.350 176.000 0.040 0.000 0.975 673 Q CA -0.354 55.463 55.803 0.023 0.000 0.933 673 Q CB 1.449 30.139 28.738 -0.079 0.000 1.195 673 Q HN 0.796 nan 8.270 nan 0.000 0.426 674 V N 0.871 120.839 119.914 0.090 0.000 3.565 674 V HA 0.559 4.678 4.120 -0.001 0.000 0.260 674 V C 0.549 176.679 176.094 0.061 0.000 1.231 674 V CA 0.781 63.118 62.300 0.061 0.000 1.100 674 V CB 0.349 32.307 31.823 0.226 0.000 0.807 674 V HN 0.659 nan 8.190 nan 0.000 0.454 675 G N 0.633 109.483 108.800 0.083 0.000 2.619 675 G HA2 0.662 4.621 3.960 -0.001 0.000 0.305 675 G HA3 0.662 4.621 3.960 -0.001 0.000 0.305 675 G C -1.903 173.059 174.900 0.103 0.000 1.330 675 G CA -0.284 44.878 45.100 0.104 0.000 0.789 675 G HN 0.813 nan 8.290 nan 0.000 0.487 676 L N -2.223 119.078 121.223 0.131 0.000 2.434 676 L HA 0.843 5.183 4.340 -0.001 0.000 0.260 676 L C -0.327 176.646 176.870 0.171 0.000 0.983 676 L CA -1.284 53.632 54.840 0.127 0.000 0.820 676 L CB 1.665 43.786 42.059 0.104 0.000 1.361 676 L HN 0.408 nan 8.230 nan 0.000 0.410 677 V N 1.757 121.753 119.914 0.137 0.000 2.540 677 V HA 0.208 4.327 4.120 -0.001 0.000 0.297 677 V C 0.962 177.172 176.094 0.193 0.000 1.024 677 V CA 1.068 63.468 62.300 0.166 0.000 1.105 677 V CB 0.489 32.332 31.823 0.034 0.000 0.938 677 V HN 1.064 nan 8.190 nan 0.000 0.482 678 S N 4.870 120.700 115.700 0.216 0.000 3.066 678 S HA 0.332 4.801 4.470 -0.001 0.000 0.235 678 S C -0.049 174.572 174.600 0.034 0.000 0.995 678 S CA 0.008 58.369 58.200 0.269 0.000 0.835 678 S CB 0.512 64.016 63.200 0.507 0.000 0.814 678 S HN 0.875 nan 8.310 nan 0.000 0.594 679 W N -0.008 121.108 121.300 -0.306 0.000 2.923 679 W HA 0.658 5.317 4.660 -0.001 0.000 0.373 679 W C -0.486 175.905 176.519 -0.213 0.000 1.205 679 W CA -0.480 56.593 57.345 -0.454 0.000 1.180 679 W CB 0.311 29.206 29.460 -0.942 0.000 1.477 679 W HN 0.511 nan 8.180 nan 0.000 0.581 680 G N -0.487 108.333 108.800 0.033 0.000 2.548 680 G HA2 0.458 4.418 3.960 -0.001 0.000 0.301 680 G HA3 0.458 4.418 3.960 -0.001 0.000 0.301 680 G C -1.084 173.919 174.900 0.170 0.000 1.349 680 G CA -0.809 44.199 45.100 -0.153 0.000 0.792 680 G HN 0.507 nan 8.290 nan 0.000 0.481 681 L N -0.729 120.553 121.223 0.098 0.000 2.616 681 L HA 0.401 4.740 4.340 -0.001 0.000 0.229 681 L C -0.060 176.926 176.870 0.192 0.000 1.110 681 L CA 0.223 55.181 54.840 0.197 0.000 0.884 681 L CB 0.262 42.438 42.059 0.195 0.000 1.115 681 L HN 0.454 nan 8.230 nan 0.000 0.481 682 Y N 0.306 120.599 120.300 -0.011 0.000 2.358 682 Y HA 0.356 4.905 4.550 -0.001 0.000 0.324 682 Y C -0.936 174.952 175.900 -0.021 0.000 1.123 682 Y CA -1.193 56.898 58.100 -0.015 0.000 1.067 682 Y CB 1.173 39.617 38.460 -0.025 0.000 1.230 682 Y HN -0.149 nan 8.280 nan 0.000 0.429 683 N N 8.239 126.533 118.700 -0.675 0.000 2.589 683 N HA 0.362 5.102 4.740 -0.001 0.000 0.232 683 N C -2.372 172.733 175.510 -0.675 0.000 1.015 683 N CA -2.663 50.099 53.050 -0.479 0.000 0.931 683 N CB 1.555 39.883 38.487 -0.265 0.000 1.150 683 N HN 0.390 nan 8.380 nan 0.000 0.512 684 P HA 0.012 nan 4.420 nan 0.000 0.228 684 P C 0.442 177.696 177.300 -0.077 0.000 1.151 684 P CA 0.768 63.781 63.100 -0.145 0.000 0.770 684 P CB 0.249 32.021 31.700 0.120 0.000 0.786 685 c N -2.360 116.187 118.600 -0.089 0.000 2.799 685 c HA 0.267 4.836 4.570 -0.001 0.000 0.267 685 c C 1.332 175.390 174.090 -0.052 0.000 1.257 685 c CA -0.658 55.649 56.329 -0.037 0.000 1.702 685 c CB -1.581 40.925 42.510 -0.006 0.000 1.934 685 c HN 0.172 nan 8.230 nan 0.000 0.594 693 S N 1.278 116.995 115.700 0.029 0.000 2.478 693 S HA 0.635 5.104 4.470 -0.001 0.000 0.312 693 S C -0.192 174.432 174.600 0.040 0.000 1.094 693 S CA -0.697 57.522 58.200 0.031 0.000 1.081 693 S CB 2.118 65.335 63.200 0.028 0.000 1.007 693 S HN 0.097 nan 8.310 nan 0.000 0.475 694 R N 1.581 122.110 120.500 0.049 0.000 2.628 694 R HA 0.442 4.782 4.340 -0.001 0.000 0.288 694 R C -1.167 175.183 176.300 0.083 0.000 0.980 694 R CA -1.042 55.098 56.100 0.067 0.000 0.891 694 R CB 1.857 32.207 30.300 0.084 0.000 1.188 694 R HN 0.554 nan 8.270 nan 0.000 0.450 695 K N 2.373 122.839 120.400 0.110 0.000 2.143 695 K HA 0.398 4.717 4.320 -0.001 0.000 0.272 695 K C -0.316 176.409 176.600 0.209 0.000 1.001 695 K CA -0.854 55.517 56.287 0.141 0.000 0.915 695 K CB 1.354 33.945 32.500 0.152 0.000 1.047 695 K HN 0.302 nan 8.250 nan 0.000 0.458 696 R N 1.185 121.755 120.500 0.118 0.000 2.410 696 R HA 0.309 4.649 4.340 -0.001 0.000 0.288 696 R C -0.076 176.190 176.300 -0.057 0.000 1.051 696 R CA -0.684 55.442 56.100 0.043 0.000 1.021 696 R CB 1.165 31.463 30.300 -0.004 0.000 1.032 696 R HN 0.790 nan 8.270 nan 0.000 0.481 697 A N 4.479 127.071 122.820 -0.379 0.000 2.462 697 A HA 0.247 4.566 4.320 -0.001 0.000 0.243 697 A C -1.879 175.565 177.584 -0.234 0.000 1.076 697 A CA -1.104 50.605 52.037 -0.547 0.000 0.773 697 A CB -0.364 18.051 19.000 -0.974 0.000 1.010 697 A HN 0.441 nan 8.150 nan 0.000 0.493 698 P HA 0.113 nan 4.420 nan 0.000 0.266 698 P C 0.563 177.802 177.300 -0.102 0.000 1.195 698 P CA -0.054 62.993 63.100 -0.089 0.000 0.768 698 P CB 0.393 32.061 31.700 -0.053 0.000 0.838 699 R N 1.198 121.654 120.500 -0.075 0.000 2.249 699 R HA -0.095 4.245 4.340 -0.001 0.000 0.230 699 R C 1.614 177.879 176.300 -0.059 0.000 1.121 699 R CA 1.648 57.706 56.100 -0.069 0.000 0.997 699 R CB -0.359 29.912 30.300 -0.050 0.000 0.867 699 R HN 0.602 nan 8.270 nan 0.000 0.465 700 S N -0.402 115.268 115.700 -0.051 0.000 2.548 700 S HA 0.037 4.507 4.470 -0.001 0.000 0.215 700 S C 1.559 176.135 174.600 -0.039 0.000 0.976 700 S CA 0.355 58.533 58.200 -0.037 0.000 0.908 700 S CB 0.346 63.531 63.200 -0.025 0.000 0.781 700 S HN 0.239 nan 8.310 nan 0.000 0.519 701 K N 1.830 122.193 120.400 -0.060 0.000 3.077 701 K HA 0.500 4.820 4.320 -0.001 0.000 0.269 701 K C 0.464 177.045 176.600 -0.033 0.000 0.973 701 K CA 0.142 56.397 56.287 -0.053 0.000 1.162 701 K CB -1.819 30.624 32.500 -0.096 0.000 1.079 701 K HN 0.413 nan 8.250 nan 0.000 0.456 702 V N 2.737 122.639 119.914 -0.020 0.000 3.067 702 V HA -0.137 3.983 4.120 -0.001 0.000 0.285 702 V C -1.319 174.787 176.094 0.020 0.000 1.308 702 V CA -0.375 61.925 62.300 -0.000 0.000 1.374 702 V CB -0.558 31.267 31.823 0.004 0.000 0.808 702 V HN 0.728 nan 8.190 nan 0.000 0.448 703 P HA 0.363 nan 4.420 nan 0.000 0.274 703 P C -2.526 174.775 177.300 0.003 0.000 1.256 703 P CA -1.554 61.564 63.100 0.031 0.000 0.795 703 P CB 0.124 31.867 31.700 0.072 0.000 1.038 704 P HA 0.277 nan 4.420 nan 0.000 0.274 704 P C -2.554 174.705 177.300 -0.068 0.000 1.256 704 P CA -1.693 61.361 63.100 -0.077 0.000 0.795 704 P CB -1.243 30.412 31.700 -0.075 0.000 1.038 705 P HA 0.300 nan 4.420 nan 0.000 0.266 705 P C -0.282 176.948 177.300 -0.117 0.000 1.195 705 P CA 0.490 63.560 63.100 -0.050 0.000 0.768 705 P CB 0.279 31.942 31.700 -0.063 0.000 0.838 706 R N 1.716 122.102 120.500 -0.191 0.000 2.604 706 R HA 0.437 4.776 4.340 -0.001 0.000 0.261 706 R C -1.834 173.963 176.300 -0.839 0.000 1.080 706 R CA -0.377 55.447 56.100 -0.459 0.000 0.917 706 R CB 1.304 31.374 30.300 -0.384 0.000 1.252 706 R HN 0.346 nan 8.270 nan 0.000 0.456 707 D N 2.951 122.636 120.400 -1.193 0.000 2.738 707 D HA 0.417 5.056 4.640 -0.001 0.000 0.237 707 D C -0.902 174.294 176.300 -1.839 0.000 1.123 707 D CA -0.158 53.099 54.000 -1.239 0.000 0.856 707 D CB 1.800 42.220 40.800 -0.633 0.000 1.552 707 D HN 0.186 nan 8.370 nan 0.000 0.480 708 F N 0.827 120.066 119.950 -1.184 0.000 2.507 708 F HA 0.318 4.845 4.527 -0.001 0.000 0.328 708 F C 0.017 175.451 175.800 -0.610 0.000 1.136 708 F CA -0.660 56.705 58.000 -1.058 0.000 0.930 708 F CB 1.389 39.380 39.000 -1.682 0.000 1.166 708 F HN 0.160 nan 8.300 nan 0.000 0.436 709 H N 2.994 122.226 119.070 0.269 0.000 2.529 709 H HA 0.442 4.998 4.556 -0.001 0.000 0.348 709 H C -0.283 175.235 175.328 0.317 0.000 1.079 709 H CA -1.112 55.079 56.048 0.240 0.000 1.198 709 H CB 1.576 31.405 29.762 0.111 0.000 1.521 709 H HN 0.356 nan 8.280 nan 0.000 0.514 710 I N 2.419 123.169 120.570 0.300 0.000 2.741 710 I HA -0.152 4.018 4.170 -0.001 0.000 0.288 710 I C 0.675 176.843 176.117 0.084 0.000 1.192 710 I CA 0.747 62.055 61.300 0.013 0.000 1.426 710 I CB -0.428 37.564 38.000 -0.013 0.000 1.367 710 I HN 0.756 nan 8.210 nan 0.000 0.563 711 N N 6.307 125.033 118.700 0.045 0.000 2.406 711 N HA 0.153 4.893 4.740 -0.001 0.000 0.251 711 N C 1.145 176.697 175.510 0.070 0.000 1.069 711 N CA -0.585 52.539 53.050 0.123 0.000 0.947 711 N CB 0.769 39.352 38.487 0.159 0.000 1.111 711 N HN 0.532 nan 8.380 nan 0.000 0.497 712 L N 3.045 124.274 121.223 0.011 0.000 2.191 712 L HA -0.153 4.186 4.340 -0.001 0.000 0.212 712 L C 1.154 177.955 176.870 -0.116 0.000 1.103 712 L CA 0.981 55.772 54.840 -0.083 0.000 0.769 712 L CB -0.363 41.596 42.059 -0.166 0.000 0.908 712 L HN 0.667 nan 8.230 nan 0.000 0.438 713 F N -0.095 119.897 119.950 0.071 0.000 2.365 713 F HA -0.088 4.439 4.527 -0.001 0.000 0.300 713 F C 2.352 178.171 175.800 0.031 0.000 1.090 713 F CA 0.766 58.799 58.000 0.055 0.000 1.408 713 F CB -0.249 38.773 39.000 0.038 0.000 1.060 713 F HN -0.029 nan 8.300 nan 0.000 0.534 714 R N -0.586 120.017 120.500 0.172 0.000 2.317 714 R HA 0.164 4.503 4.340 -0.001 0.000 0.208 714 R C 0.929 177.264 176.300 0.058 0.000 0.914 714 R CA 0.477 56.629 56.100 0.086 0.000 1.060 714 R CB -0.064 30.257 30.300 0.036 0.000 1.015 714 R HN 0.248 nan 8.270 nan 0.000 0.498 715 M N 0.408 120.049 119.600 0.069 0.000 2.576 715 M HA 0.187 4.666 4.480 -0.001 0.000 0.322 715 M C 1.054 177.434 176.300 0.134 0.000 1.184 715 M CA -0.008 55.349 55.300 0.096 0.000 0.967 715 M CB 0.627 33.281 32.600 0.091 0.000 1.372 715 M HN -0.136 nan 8.290 nan 0.000 0.509 716 Q N 0.741 120.587 119.800 0.078 0.000 2.050 716 Q HA -0.074 4.265 4.340 -0.001 0.000 0.202 716 Q C -0.629 175.332 176.000 -0.065 0.000 0.980 716 Q CA 1.661 57.470 55.803 0.010 0.000 0.840 716 Q CB -1.529 27.213 28.738 0.005 0.000 0.898 716 Q HN 0.333 nan 8.270 nan 0.000 0.424 717 P HA -0.184 nan 4.420 nan 0.000 0.215 717 P C 1.053 178.349 177.300 -0.007 0.000 1.153 717 P CA 1.180 64.257 63.100 -0.038 0.000 0.853 717 P CB -0.414 31.297 31.700 0.018 0.000 0.788 718 W N -0.226 121.040 121.300 -0.057 0.000 2.379 718 W HA -0.112 4.547 4.660 -0.001 0.000 0.307 718 W C 1.858 178.393 176.519 0.027 0.000 1.200 718 W CA 0.917 58.271 57.345 0.015 0.000 1.297 718 W CB -0.866 28.639 29.460 0.074 0.000 1.140 718 W HN -0.237 nan 8.180 nan 0.000 0.507 719 L N 0.938 122.257 121.223 0.160 0.000 2.046 719 L HA -0.166 4.174 4.340 -0.001 0.000 0.208 719 L C 2.406 179.104 176.870 -0.287 0.000 1.077 719 L CA 1.886 56.724 54.840 -0.003 0.000 0.747 719 L CB -1.628 40.530 42.059 0.164 0.000 0.896 719 L HN 0.031 nan 8.230 nan 0.000 0.432 720 R N -1.054 119.139 120.500 -0.512 0.000 2.115 720 R HA -0.175 4.164 4.340 -0.001 0.000 0.230 720 R C 2.162 178.180 176.300 -0.470 0.000 1.111 720 R CA 1.038 56.688 56.100 -0.750 0.000 0.976 720 R CB -0.277 29.557 30.300 -0.776 0.000 0.870 720 R HN 0.476 nan 8.270 nan 0.000 0.445 721 Q N -0.035 119.482 119.800 -0.471 0.000 2.135 721 Q HA -0.221 4.119 4.340 -0.001 0.000 0.204 721 Q C 0.923 176.488 176.000 -0.725 0.000 0.981 721 Q CA 1.851 57.304 55.803 -0.583 0.000 0.856 721 Q CB 0.086 28.414 28.738 -0.682 0.000 0.902 721 Q HN 0.582 nan 8.270 nan 0.000 0.425 722 H N -1.527 117.252 119.070 -0.484 0.000 2.639 722 H HA 0.221 4.776 4.556 -0.001 0.000 0.267 722 H C 0.708 175.730 175.328 -0.510 0.000 0.958 722 H CA 0.409 56.147 56.048 -0.516 0.000 1.221 722 H CB 0.744 30.057 29.762 -0.748 0.000 1.446 722 H HN 0.129 nan 8.280 nan 0.000 0.512 723 L N -0.293 120.756 121.223 -0.291 0.000 3.069 723 L HA 0.319 4.659 4.340 -0.001 0.000 0.271 723 L C 2.034 178.926 176.870 0.036 0.000 1.201 723 L CA 0.002 54.706 54.840 -0.227 0.000 1.015 723 L CB 0.784 42.782 42.059 -0.101 0.000 1.371 723 L HN 0.270 nan 8.230 nan 0.000 0.574 724 G N -0.079 108.709 108.800 -0.021 0.000 2.462 724 G HA2 -0.204 3.755 3.960 -0.001 0.000 0.220 724 G HA3 -0.204 3.755 3.960 -0.001 0.000 0.220 724 G C 0.904 175.833 174.900 0.049 0.000 1.121 724 G CA 0.822 45.958 45.100 0.060 0.000 0.758 724 G HN 0.279 nan 8.290 nan 0.000 0.559 725 D N -0.783 119.602 120.400 -0.025 0.000 2.398 725 D HA 0.170 4.810 4.640 -0.001 0.000 0.210 725 D C 2.187 178.465 176.300 -0.037 0.000 1.094 725 D CA -0.047 53.941 54.000 -0.020 0.000 0.839 725 D CB 1.009 41.799 40.800 -0.016 0.000 0.963 725 D HN 0.235 nan 8.370 nan 0.000 0.506 726 V N 0.221 120.079 119.914 -0.095 0.000 2.492 726 V HA 0.122 4.242 4.120 -0.001 0.000 0.241 726 V C 1.113 177.137 176.094 -0.116 0.000 1.041 726 V CA 0.755 62.978 62.300 -0.129 0.000 1.057 726 V CB 0.370 31.980 31.823 -0.356 0.000 0.711 726 V HN 0.043 nan 8.190 nan 0.000 0.468 727 L N 0.206 121.332 121.223 -0.162 0.000 2.313 727 L HA 0.546 4.886 4.340 -0.001 0.000 0.268 727 L C -0.584 176.133 176.870 -0.255 0.000 1.010 727 L CA -0.643 54.028 54.840 -0.282 0.000 0.814 727 L CB 1.084 42.806 42.059 -0.561 0.000 1.304 727 L HN 0.132 nan 8.230 nan 0.000 0.441 728 N N 1.550 120.088 118.700 -0.270 0.000 2.699 728 N HA 0.330 5.069 4.740 -0.001 0.000 0.232 728 N C -0.879 174.527 175.510 -0.173 0.000 1.027 728 N CA -0.142 52.831 53.050 -0.129 0.000 0.920 728 N CB 0.573 39.019 38.487 -0.069 0.000 1.148 728 N HN 0.284 nan 8.380 nan 0.000 0.509 729 F N 0.947 120.879 119.950 -0.031 0.000 2.459 729 F HA 0.205 4.732 4.527 -0.001 0.000 0.346 729 F C 1.662 177.444 175.800 -0.030 0.000 1.128 729 F CA -0.434 57.548 58.000 -0.030 0.000 1.268 729 F CB 0.678 39.652 39.000 -0.043 0.000 1.161 729 F HN 0.086 nan 8.300 nan 0.000 0.583 730 L N 0.000 121.312 121.223 0.148 0.000 2.949 730 L HA 0.000 4.340 4.340 -0.001 0.000 0.249 730 L CA 0.000 54.871 54.840 0.052 0.000 0.813 730 L CB 0.000 42.035 42.059 -0.041 0.000 0.961 730 L HN 0.000 nan 8.230 nan 0.000 0.502