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 2vwd_1_B DATA FIRST_RESID 187 DATA SEQUENCE NIcLQKTSNQ ILKPKLISYT LPXXXXXXTc ITDPLLAMDE GYFAYSHLER DATA SEQUENCE IGScSRGVSK QRIIGVGEVL DRGDEVPSLF MTNVWTPPNP NTVYHcSAVY DATA SEQUENCE NNEFYYVLcA VSTVGDPILN STYWSGSLMM TRLAVKPKSN GGGYNQHQLA DATA SEQUENCE LRSIEKGRYD KVMPYGPSGI KQGDTLYFPA VGFLVRTEFK YNDSNcPITK DATA SEQUENCE cQYSKPENcR LSMGIRPNSH YILRSGLLKY NLSDGENPKV VFIEISDQRL DATA SEQUENCE SIGSPSKIYD SLGQPVFYQA SFSWDTMIKF GDVLTVNPLV VNWRNNTVIS DATA SEQUENCE RPGQSQcPRF NTcPEIcWEG VYNDAFLIDR INWISAGVFL DSNQTAENPV DATA SEQUENCE FTVFKDNEIL YRAQLASEDT NAQKTITNcF LLKNKIWcIS LVEIYDTGDN DATA SEQUENCE VIRPKLFAVK IPEQcT 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 187 N HA 0.000 nan 4.740 nan 0.000 0.220 187 N C 0.000 175.502 175.510 -0.013 0.000 1.280 187 N CA 0.000 53.047 53.050 -0.005 0.000 0.885 187 N CB 0.000 38.485 38.487 -0.004 0.000 1.341 188 I N -2.694 117.878 120.570 0.003 0.000 3.067 188 I HA 0.657 4.827 4.170 0.000 0.000 0.312 188 I C 0.160 176.299 176.117 0.037 0.000 1.073 188 I CA -0.983 60.325 61.300 0.015 0.000 1.016 188 I CB 1.978 40.008 38.000 0.049 0.000 1.227 188 I HN 0.562 nan 8.210 nan 0.000 0.456 189 c N 3.997 122.621 118.600 0.040 0.000 2.651 189 c HA 0.346 4.916 4.570 0.000 0.000 0.410 189 c C 1.252 175.466 174.090 0.207 0.000 1.372 189 c CA -0.172 56.184 56.329 0.044 0.000 1.707 189 c CB -1.246 41.160 42.510 -0.173 0.000 2.501 189 c HN 0.787 nan 8.230 nan 0.000 0.598 190 L N 4.610 125.915 121.223 0.136 0.000 2.640 190 L HA 0.226 4.566 4.340 0.000 0.000 0.230 190 L C 1.065 178.018 176.870 0.138 0.000 1.123 190 L CA 0.262 55.181 54.840 0.130 0.000 0.900 190 L CB -0.537 41.567 42.059 0.075 0.000 1.146 190 L HN 0.734 nan 8.230 nan 0.000 0.484 191 Q N 0.485 120.382 119.800 0.162 0.000 2.297 191 Q HA 0.334 4.674 4.340 0.000 0.000 0.268 191 Q C -0.480 175.637 176.000 0.195 0.000 1.045 191 Q CA -0.694 55.189 55.803 0.133 0.000 0.861 191 Q CB 2.541 31.328 28.738 0.082 0.000 1.344 191 Q HN -0.041 nan 8.270 nan 0.000 0.452 192 K N 0.989 121.476 120.400 0.146 0.000 2.350 192 K HA 0.250 4.570 4.320 0.000 0.000 0.279 192 K C -0.939 175.744 176.600 0.138 0.000 1.027 192 K CA 0.366 56.747 56.287 0.156 0.000 0.969 192 K CB 0.746 33.308 32.500 0.103 0.000 0.954 192 K HN 0.581 nan 8.250 nan 0.000 0.474 193 T N 1.089 115.743 114.554 0.167 0.000 3.012 193 T HA 0.118 4.468 4.350 0.000 0.000 0.330 193 T C 0.343 175.106 174.700 0.105 0.000 1.321 193 T CA -0.492 61.669 62.100 0.102 0.000 1.067 193 T CB 1.130 70.028 68.868 0.049 0.000 1.235 193 T HN 0.612 nan 8.240 nan 0.000 0.479 194 S N 3.051 118.791 115.700 0.066 0.000 2.593 194 S HA 0.159 4.629 4.470 0.000 0.000 0.217 194 S C 0.615 175.239 174.600 0.040 0.000 0.966 194 S CA -0.299 57.936 58.200 0.059 0.000 0.914 194 S CB -0.349 62.877 63.200 0.044 0.000 0.776 194 S HN 0.657 nan 8.310 nan 0.000 0.523 195 N N 3.257 121.970 118.700 0.021 0.000 2.412 195 N HA 0.053 4.793 4.740 0.000 0.000 0.258 195 N C -0.298 175.209 175.510 -0.006 0.000 1.236 195 N CA 0.388 53.435 53.050 -0.005 0.000 0.882 195 N CB 0.204 38.670 38.487 -0.034 0.000 1.066 195 N HN 0.543 nan 8.380 nan 0.000 0.465 196 Q N 2.056 121.851 119.800 -0.008 0.000 3.026 196 Q HA 0.117 4.457 4.340 0.000 0.000 0.258 196 Q C 1.283 177.260 176.000 -0.039 0.000 1.388 196 Q CA -0.090 55.709 55.803 -0.006 0.000 1.000 196 Q CB -0.280 28.457 28.738 -0.002 0.000 1.634 196 Q HN 0.665 nan 8.270 nan 0.000 0.571 197 I N -2.786 117.742 120.570 -0.071 0.000 3.226 197 I HA 0.072 4.242 4.170 0.000 0.000 0.277 197 I C 0.158 176.198 176.117 -0.129 0.000 1.243 197 I CA 0.071 61.291 61.300 -0.134 0.000 1.459 197 I CB 0.285 38.138 38.000 -0.245 0.000 1.093 197 I HN 0.190 nan 8.210 nan 0.000 0.453 198 L N 3.408 124.592 121.223 -0.065 0.000 2.331 198 L HA 0.335 4.675 4.340 0.000 0.000 0.278 198 L C -0.095 176.718 176.870 -0.096 0.000 1.106 198 L CA -0.100 54.696 54.840 -0.075 0.000 0.824 198 L CB 0.550 42.618 42.059 0.015 0.000 1.142 198 L HN 0.066 nan 8.230 nan 0.000 0.443 199 K N 3.934 124.253 120.400 -0.136 0.000 2.562 199 K HA 0.375 4.695 4.320 0.000 0.000 0.206 199 K C -2.483 174.060 176.600 -0.095 0.000 1.033 199 K CA -1.951 54.279 56.287 -0.094 0.000 1.029 199 K CB 0.885 33.342 32.500 -0.072 0.000 1.393 199 K HN 0.179 nan 8.250 nan 0.000 0.539 200 P HA 0.043 nan 4.420 nan 0.000 0.265 200 P C -0.399 176.946 177.300 0.075 0.000 1.193 200 P CA 0.057 63.121 63.100 -0.060 0.000 0.765 200 P CB 0.629 32.266 31.700 -0.106 0.000 0.823 201 K N 2.894 123.367 120.400 0.122 0.000 2.358 201 K HA 0.349 4.669 4.320 0.000 0.000 0.260 201 K C -0.484 176.134 176.600 0.031 0.000 0.956 201 K CA -1.090 55.252 56.287 0.092 0.000 0.834 201 K CB 1.534 34.092 32.500 0.098 0.000 1.102 201 K HN 0.334 nan 8.250 nan 0.000 0.431 202 L N 4.664 125.843 121.223 -0.073 0.000 2.462 202 L HA 0.147 4.487 4.340 0.000 0.000 0.272 202 L C 0.772 177.433 176.870 -0.347 0.000 1.166 202 L CA 0.555 55.179 54.840 -0.360 0.000 0.880 202 L CB 0.012 41.839 42.059 -0.386 0.000 1.142 202 L HN 0.723 nan 8.230 nan 0.000 0.473 203 I N -0.290 120.024 120.570 -0.428 0.000 4.102 203 I HA 0.271 4.441 4.170 0.000 0.000 0.325 203 I C 1.087 176.937 176.117 -0.445 0.000 1.471 203 I CA -0.021 61.063 61.300 -0.359 0.000 1.133 203 I CB 0.510 38.350 38.000 -0.266 0.000 1.184 203 I HN 0.470 nan 8.210 nan 0.000 0.451 204 S N 1.005 116.341 115.700 -0.607 0.000 2.399 204 S HA -0.116 4.354 4.470 0.000 0.000 0.231 204 S C 1.461 175.832 174.600 -0.383 0.000 1.022 204 S CA 1.586 59.458 58.200 -0.546 0.000 0.983 204 S CB -0.442 62.385 63.200 -0.621 0.000 0.803 204 S HN 0.608 nan 8.310 nan 0.000 0.480 205 Y N 1.891 122.057 120.300 -0.222 0.000 2.583 205 Y HA 0.020 4.570 4.550 0.000 0.000 0.293 205 Y C 2.693 178.471 175.900 -0.204 0.000 1.157 205 Y CA 0.525 58.515 58.100 -0.183 0.000 1.315 205 Y CB -1.559 36.818 38.460 -0.139 0.000 1.021 205 Y HN 0.386 nan 8.280 nan 0.000 0.536 206 T N -3.067 111.381 114.554 -0.176 0.000 3.113 206 T HA 0.043 4.393 4.350 0.000 0.000 0.256 206 T C 0.622 175.114 174.700 -0.346 0.000 1.131 206 T CA 0.226 62.131 62.100 -0.326 0.000 1.074 206 T CB -0.197 68.270 68.868 -0.668 0.000 0.944 206 T HN 0.118 nan 8.240 nan 0.000 0.516 207 L N 3.461 124.514 121.223 -0.283 0.000 2.581 207 L HA 0.493 4.833 4.340 0.000 0.000 0.241 207 L C -2.270 174.509 176.870 -0.152 0.000 1.265 207 L CA -1.994 52.695 54.840 -0.251 0.000 0.954 207 L CB 0.726 42.559 42.059 -0.376 0.000 1.269 207 L HN 0.046 nan 8.230 nan 0.000 0.475 216 c N 2.241 120.826 118.600 -0.024 0.000 2.609 216 c HA 0.768 5.338 4.570 0.000 0.000 0.313 216 c C -1.166 172.886 174.090 -0.064 0.000 1.175 216 c CA -0.815 55.500 56.329 -0.024 0.000 1.434 216 c CB 0.110 42.625 42.510 0.009 0.000 2.005 216 c HN 0.860 nan 8.230 nan 0.000 0.471 217 I N 5.415 125.926 120.570 -0.098 0.000 2.304 217 I HA 0.431 4.601 4.170 0.000 0.000 0.291 217 I C 0.697 176.762 176.117 -0.086 0.000 1.018 217 I CA 0.543 61.730 61.300 -0.187 0.000 1.260 217 I CB 0.746 38.557 38.000 -0.316 0.000 1.390 217 I HN 0.767 nan 8.210 nan 0.000 0.475 218 T N 3.507 118.029 114.554 -0.053 0.000 2.831 218 T HA 0.296 4.646 4.350 0.000 0.000 0.287 218 T C -0.593 174.103 174.700 -0.006 0.000 1.070 218 T CA -0.280 61.813 62.100 -0.013 0.000 1.010 218 T CB 1.105 69.969 68.868 -0.007 0.000 1.264 218 T HN 0.672 nan 8.240 nan 0.000 0.532 219 D N 1.587 121.982 120.400 -0.008 0.000 2.735 219 D HA -0.094 4.546 4.640 0.000 0.000 0.235 219 D C -2.438 173.835 176.300 -0.046 0.000 1.175 219 D CA 0.190 54.175 54.000 -0.025 0.000 0.683 219 D CB -0.169 40.598 40.800 -0.054 0.000 1.008 219 D HN 0.267 nan 8.370 nan 0.000 0.416 220 P HA 0.306 nan 4.420 nan 0.000 0.277 220 P C -0.347 176.891 177.300 -0.104 0.000 1.240 220 P CA -0.654 62.402 63.100 -0.073 0.000 0.798 220 P CB 1.252 32.963 31.700 0.019 0.000 0.979 221 L N 3.043 124.154 121.223 -0.185 0.000 2.408 221 L HA 0.664 5.004 4.340 0.000 0.000 0.268 221 L C -1.787 175.062 176.870 -0.033 0.000 0.986 221 L CA -1.140 53.638 54.840 -0.102 0.000 0.820 221 L CB 1.974 43.976 42.059 -0.095 0.000 1.303 221 L HN 0.210 nan 8.230 nan 0.000 0.411 222 L N 4.800 126.068 121.223 0.075 0.000 2.436 222 L HA 0.932 5.272 4.340 0.000 0.000 0.268 222 L C -1.225 175.736 176.870 0.151 0.000 0.974 222 L CA -0.070 54.869 54.840 0.165 0.000 0.826 222 L CB 1.864 44.034 42.059 0.184 0.000 1.291 222 L HN 0.744 nan 8.230 nan 0.000 0.406 223 A N 5.647 128.568 122.820 0.169 0.000 2.475 223 A HA 0.967 5.287 4.320 0.000 0.000 0.301 223 A C -1.299 176.454 177.584 0.282 0.000 1.059 223 A CA -0.576 51.593 52.037 0.220 0.000 0.710 223 A CB 1.687 20.828 19.000 0.236 0.000 1.288 223 A HN 0.683 nan 8.150 nan 0.000 0.408 224 M N 1.434 121.227 119.600 0.322 0.000 2.433 224 M HA 0.544 5.024 4.480 0.000 0.000 0.290 224 M C -1.907 174.553 176.300 0.267 0.000 1.173 224 M CA -0.472 55.000 55.300 0.285 0.000 0.905 224 M CB 2.773 35.439 32.600 0.110 0.000 1.692 224 M HN 0.752 nan 8.290 nan 0.000 0.462 225 D N 1.378 121.885 120.400 0.179 0.000 2.787 225 D HA 0.183 4.823 4.640 0.000 0.000 0.215 225 D C -0.931 175.303 176.300 -0.111 0.000 1.246 225 D CA 0.195 54.251 54.000 0.093 0.000 0.798 225 D CB 1.398 42.302 40.800 0.173 0.000 1.649 225 D HN 0.787 nan 8.370 nan 0.000 0.507 226 E N 1.513 121.667 120.200 -0.077 0.000 2.586 226 E HA -0.227 4.123 4.350 0.000 0.000 0.259 226 E C 0.725 177.098 176.600 -0.378 0.000 1.107 226 E CA 0.859 57.175 56.400 -0.141 0.000 0.754 226 E CB -1.478 28.188 29.700 -0.056 0.000 1.335 226 E HN 0.977 nan 8.360 nan 0.000 0.411 227 G N -1.378 107.184 108.800 -0.397 0.000 2.157 227 G HA2 -0.340 3.620 3.960 0.000 0.000 0.248 227 G HA3 -0.340 3.620 3.960 0.000 0.000 0.248 227 G C -0.185 174.295 174.900 -0.701 0.000 0.979 227 G CA 0.679 45.437 45.100 -0.571 0.000 0.650 227 G HN 0.288 nan 8.290 nan 0.000 0.529 228 Y N -0.503 119.697 120.300 -0.166 0.000 2.630 228 Y HA 0.785 5.335 4.550 -0.000 0.000 0.337 228 Y C 0.270 176.279 175.900 0.181 0.000 1.051 228 Y CA -1.451 56.618 58.100 -0.052 0.000 1.121 228 Y CB 1.370 39.691 38.460 -0.232 0.000 1.299 228 Y HN 0.439 nan 8.280 nan 0.000 0.498 229 F N -0.602 119.515 119.950 0.277 0.000 2.643 229 F HA 0.995 5.522 4.527 -0.000 0.000 0.314 229 F C -1.408 174.284 175.800 -0.179 0.000 1.096 229 F CA -1.635 56.427 58.000 0.103 0.000 0.953 229 F CB 1.268 40.274 39.000 0.010 0.000 1.345 229 F HN 0.550 nan 8.300 nan 0.000 0.468 230 A N 1.738 124.355 122.820 -0.337 0.000 2.386 230 A HA 0.769 5.089 4.320 0.000 0.000 0.311 230 A C -2.425 175.229 177.584 0.115 0.000 1.068 230 A CA -0.739 51.017 52.037 -0.469 0.000 0.743 230 A CB 1.294 19.684 19.000 -1.016 0.000 1.258 230 A HN 1.129 nan 8.150 nan 0.000 0.429 231 Y N 0.982 121.291 120.300 0.015 0.000 2.504 231 Y HA 0.680 5.231 4.550 0.000 0.000 0.344 231 Y C -0.468 175.431 175.900 -0.001 0.000 1.023 231 Y CA -0.342 57.811 58.100 0.089 0.000 1.020 231 Y CB 2.118 40.712 38.460 0.224 0.000 1.282 231 Y HN 0.838 nan 8.280 nan 0.000 0.454 232 S N 5.093 120.298 115.700 -0.825 0.000 2.546 232 S HA 0.644 5.114 4.470 0.000 0.000 0.274 232 S C -1.815 172.313 174.600 -0.788 0.000 1.121 232 S CA -0.495 57.303 58.200 -0.669 0.000 0.887 232 S CB 0.879 63.903 63.200 -0.294 0.000 1.094 232 S HN 0.979 nan 8.310 nan 0.000 0.474 233 H N 1.611 120.411 119.070 -0.450 0.000 3.017 233 H HA 0.712 5.268 4.556 -0.000 0.000 0.346 233 H C -2.021 173.214 175.328 -0.156 0.000 1.286 233 H CA -1.011 54.881 56.048 -0.260 0.000 1.120 233 H CB 1.114 30.793 29.762 -0.139 0.000 1.860 233 H HN 0.487 nan 8.280 nan 0.000 0.542 234 L N 1.714 123.022 121.223 0.143 0.000 2.313 234 L HA 0.321 4.661 4.340 0.000 0.000 0.283 234 L C -0.532 176.381 176.870 0.072 0.000 1.013 234 L CA -0.198 54.683 54.840 0.068 0.000 0.816 234 L CB 1.560 43.587 42.059 -0.052 0.000 1.236 234 L HN 0.690 nan 8.230 nan 0.000 0.419 235 E N 5.471 125.720 120.200 0.081 0.000 2.197 235 E HA 0.496 4.846 4.350 0.000 0.000 0.281 235 E C -0.797 175.794 176.600 -0.016 0.000 0.995 235 E CA -0.579 55.824 56.400 0.005 0.000 0.808 235 E CB 1.316 31.038 29.700 0.036 0.000 1.093 235 E HN 0.469 nan 8.360 nan 0.000 0.394 236 R N 2.438 122.923 120.500 -0.025 0.000 2.803 236 R HA 0.435 4.775 4.340 0.000 0.000 0.276 236 R C 0.828 177.119 176.300 -0.015 0.000 0.978 236 R CA -0.654 55.434 56.100 -0.019 0.000 0.939 236 R CB 1.392 31.683 30.300 -0.015 0.000 1.179 236 R HN 0.513 nan 8.270 nan 0.000 0.472 237 I N 0.327 120.890 120.570 -0.012 0.000 2.270 237 I HA -0.052 4.118 4.170 0.000 0.000 0.239 237 I C 1.979 178.094 176.117 -0.003 0.000 1.080 237 I CA 1.337 62.632 61.300 -0.009 0.000 1.383 237 I CB -0.355 37.640 38.000 -0.008 0.000 1.097 237 I HN 0.815 nan 8.210 nan 0.000 0.420 238 G N 0.411 109.211 108.800 0.000 0.000 2.586 238 G HA2 -0.006 3.954 3.960 0.000 0.000 0.199 238 G HA3 -0.006 3.954 3.960 0.000 0.000 0.199 238 G C 0.666 175.574 174.900 0.013 0.000 1.614 238 G CA 0.702 45.805 45.100 0.006 0.000 0.921 238 G HN 0.446 nan 8.290 nan 0.000 0.428 239 S N -2.059 113.650 115.700 0.015 0.000 2.768 239 S HA 0.279 4.749 4.470 0.000 0.000 0.300 239 S C 1.072 175.683 174.600 0.019 0.000 1.122 239 S CA 0.053 58.267 58.200 0.024 0.000 0.995 239 S CB 1.272 64.484 63.200 0.020 0.000 1.195 239 S HN 0.427 nan 8.310 nan 0.000 0.547 240 c N 0.407 119.020 118.600 0.023 0.000 2.533 240 c HA 0.300 4.870 4.570 0.000 0.000 0.272 240 c C 2.603 176.700 174.090 0.012 0.000 1.371 240 c CA 0.197 56.536 56.329 0.017 0.000 1.758 240 c CB -1.309 41.216 42.510 0.025 0.000 1.972 240 c HN 0.846 nan 8.230 nan 0.000 0.522 241 S N 0.300 116.006 115.700 0.011 0.000 2.499 241 S HA 0.036 4.506 4.470 0.000 0.000 0.225 241 S C 1.923 176.536 174.600 0.021 0.000 1.050 241 S CA 0.345 58.555 58.200 0.016 0.000 0.928 241 S CB 0.105 63.310 63.200 0.008 0.000 0.803 241 S HN 0.516 nan 8.310 nan 0.000 0.506 242 R N 2.103 122.612 120.500 0.016 0.000 2.195 242 R HA 0.305 4.645 4.340 0.000 0.000 0.197 242 R C 1.080 177.388 176.300 0.013 0.000 0.990 242 R CA 0.521 56.631 56.100 0.016 0.000 1.048 242 R CB -0.840 29.467 30.300 0.012 0.000 0.997 242 R HN 0.265 nan 8.270 nan 0.000 0.502 243 G N 0.468 109.274 108.800 0.009 0.000 2.630 243 G HA2 0.175 4.135 3.960 0.000 0.000 0.236 243 G HA3 0.175 4.135 3.960 0.000 0.000 0.236 243 G C -0.630 174.269 174.900 -0.001 0.000 1.248 243 G CA -0.383 44.719 45.100 0.004 0.000 0.844 243 G HN 0.090 nan 8.290 nan 0.000 0.588 244 V N 1.185 121.096 119.914 -0.004 0.000 2.529 244 V HA 0.073 4.193 4.120 0.000 0.000 0.292 244 V C 0.802 176.884 176.094 -0.019 0.000 1.028 244 V CA -0.067 62.227 62.300 -0.010 0.000 1.074 244 V CB 1.010 32.827 31.823 -0.009 0.000 0.958 244 V HN 0.710 nan 8.190 nan 0.000 0.481 245 S N 4.908 120.590 115.700 -0.030 0.000 2.488 245 S HA 0.107 4.577 4.470 0.000 0.000 0.278 245 S C 0.977 175.549 174.600 -0.046 0.000 1.259 245 S CA -0.380 57.791 58.200 -0.047 0.000 1.061 245 S CB 0.763 63.917 63.200 -0.078 0.000 0.910 245 S HN 0.868 nan 8.310 nan 0.000 0.491 246 K N 2.790 123.166 120.400 -0.039 0.000 2.214 246 K HA 0.186 4.506 4.320 0.000 0.000 0.201 246 K C 0.484 177.056 176.600 -0.046 0.000 1.049 246 K CA 0.434 56.700 56.287 -0.034 0.000 0.978 246 K CB 0.268 32.755 32.500 -0.021 0.000 0.842 246 K HN 0.640 nan 8.250 nan 0.000 0.474 247 Q N 0.304 120.077 119.800 -0.045 0.000 2.403 247 Q HA 0.218 4.558 4.340 0.000 0.000 0.267 247 Q C -1.978 173.981 176.000 -0.069 0.000 0.991 247 Q CA -0.912 54.852 55.803 -0.064 0.000 0.906 247 Q CB 1.837 30.554 28.738 -0.034 0.000 1.422 247 Q HN 0.105 nan 8.270 nan 0.000 0.400 248 R N 3.442 123.851 120.500 -0.151 0.000 2.295 248 R HA 0.555 4.895 4.340 0.000 0.000 0.324 248 R C -1.260 174.888 176.300 -0.254 0.000 0.968 248 R CA -0.371 55.613 56.100 -0.193 0.000 0.837 248 R CB 0.629 30.782 30.300 -0.245 0.000 1.133 248 R HN 0.593 nan 8.270 nan 0.000 0.450 249 I N 2.130 122.526 120.570 -0.289 0.000 2.441 249 I HA 0.590 4.760 4.170 0.000 0.000 0.295 249 I C -0.982 174.987 176.117 -0.246 0.000 0.994 249 I CA -0.575 60.555 61.300 -0.283 0.000 1.144 249 I CB 1.606 39.438 38.000 -0.281 0.000 1.314 249 I HN 0.576 nan 8.210 nan 0.000 0.445 250 I N 5.682 126.177 120.570 -0.125 0.000 2.418 250 I HA 0.769 4.939 4.170 0.000 0.000 0.287 250 I C 0.237 176.378 176.117 0.040 0.000 1.008 250 I CA -0.464 60.818 61.300 -0.031 0.000 1.104 250 I CB 1.667 39.714 38.000 0.078 0.000 1.264 250 I HN 0.916 nan 8.210 nan 0.000 0.438 251 G N 4.897 113.722 108.800 0.042 0.000 2.619 251 G HA2 0.765 4.726 3.960 0.000 0.000 0.296 251 G HA3 0.765 4.726 3.960 0.000 0.000 0.296 251 G C -1.130 173.721 174.900 -0.082 0.000 1.334 251 G CA -0.627 44.497 45.100 0.040 0.000 0.934 251 G HN 0.516 nan 8.290 nan 0.000 0.476 252 V N -1.486 118.305 119.914 -0.205 0.000 3.102 252 V HA 1.091 5.211 4.120 0.000 0.000 0.312 252 V C 0.274 175.968 176.094 -0.668 0.000 1.135 252 V CA 0.045 62.044 62.300 -0.503 0.000 1.022 252 V CB 1.519 33.204 31.823 -0.230 0.000 1.056 252 V HN 1.937 nan 8.190 nan 0.000 0.436 253 G N 0.940 109.104 108.800 -1.060 0.000 2.494 253 G HA2 0.542 4.502 3.960 0.000 0.000 0.308 253 G HA3 0.542 4.502 3.960 0.000 0.000 0.308 253 G C -1.749 173.142 174.900 -0.016 0.000 1.263 253 G CA -0.664 44.143 45.100 -0.487 0.000 0.840 253 G HN 0.860 nan 8.290 nan 0.000 0.479 254 E N -0.693 119.717 120.200 0.350 0.000 2.195 254 E HA 0.522 4.872 4.350 0.000 0.000 0.271 254 E C -0.888 175.925 176.600 0.354 0.000 0.923 254 E CA -0.770 55.809 56.400 0.300 0.000 0.790 254 E CB 2.903 32.692 29.700 0.148 0.000 1.155 254 E HN 0.193 nan 8.360 nan 0.000 0.402 255 V N 4.704 124.680 119.914 0.104 0.000 2.348 255 V HA 0.289 4.409 4.120 0.000 0.000 0.270 255 V C -0.193 175.848 176.094 -0.088 0.000 1.037 255 V CA -0.236 62.038 62.300 -0.043 0.000 0.872 255 V CB -0.102 31.531 31.823 -0.316 0.000 1.002 255 V HN 0.457 nan 8.190 nan 0.000 0.464 256 L N 2.935 124.176 121.223 0.031 0.000 2.370 256 L HA 0.558 4.898 4.340 0.000 0.000 0.266 256 L C -0.103 176.749 176.870 -0.030 0.000 1.002 256 L CA -0.939 53.861 54.840 -0.067 0.000 0.818 256 L CB 2.111 44.025 42.059 -0.241 0.000 1.325 256 L HN 0.431 nan 8.230 nan 0.000 0.418 257 D N 1.797 122.135 120.400 -0.102 0.000 2.520 257 D HA -0.057 4.583 4.640 0.000 0.000 0.243 257 D C 1.118 177.388 176.300 -0.050 0.000 1.160 257 D CA 0.206 54.142 54.000 -0.106 0.000 0.877 257 D CB 0.920 41.656 40.800 -0.107 0.000 1.150 257 D HN 0.549 nan 8.370 nan 0.000 0.494 258 R N 3.001 123.513 120.500 0.019 0.000 2.307 258 R HA 0.135 4.475 4.340 0.000 0.000 0.199 258 R C 1.217 177.551 176.300 0.055 0.000 1.000 258 R CA 0.601 56.788 56.100 0.145 0.000 1.023 258 R CB 0.245 30.637 30.300 0.155 0.000 0.908 258 R HN 0.507 nan 8.270 nan 0.000 0.473 259 G N 1.495 110.292 108.800 -0.006 0.000 3.134 259 G HA2 -0.235 3.725 3.960 0.000 0.000 0.195 259 G HA3 -0.235 3.725 3.960 0.000 0.000 0.195 259 G C 0.036 174.930 174.900 -0.010 0.000 1.054 259 G CA 0.086 45.181 45.100 -0.009 0.000 0.828 259 G HN 0.478 nan 8.290 nan 0.000 0.462 260 D N 0.958 121.351 120.400 -0.010 0.000 2.593 260 D HA 0.315 4.955 4.640 0.000 0.000 0.241 260 D C 0.741 177.043 176.300 0.003 0.000 1.257 260 D CA 0.423 54.424 54.000 0.002 0.000 0.828 260 D CB -0.395 40.412 40.800 0.012 0.000 1.049 260 D HN 0.641 nan 8.370 nan 0.000 0.490 261 E N -1.502 118.682 120.200 -0.027 0.000 3.628 261 E HA -0.133 4.217 4.350 0.000 0.000 0.309 261 E C -0.615 175.876 176.600 -0.181 0.000 0.839 261 E CA 0.476 56.856 56.400 -0.033 0.000 1.123 261 E CB -1.639 28.106 29.700 0.075 0.000 1.568 261 E HN 0.225 nan 8.360 nan 0.000 0.440 262 V N 2.007 121.767 119.914 -0.257 0.000 2.398 262 V HA 0.338 4.458 4.120 0.000 0.000 0.286 262 V C -1.813 173.985 176.094 -0.494 0.000 1.026 262 V CA -1.592 60.380 62.300 -0.546 0.000 0.868 262 V CB 1.323 33.015 31.823 -0.219 0.000 0.982 262 V HN -0.045 nan 8.190 nan 0.000 0.443 263 P HA 0.356 nan 4.420 nan 0.000 0.275 263 P C -0.519 176.669 177.300 -0.187 0.000 1.227 263 P CA -0.008 62.899 63.100 -0.321 0.000 0.781 263 P CB 1.362 32.944 31.700 -0.196 0.000 0.906 264 S N 1.119 116.764 115.700 -0.092 0.000 2.685 264 S HA 0.550 5.020 4.470 0.000 0.000 0.282 264 S C -0.599 173.870 174.600 -0.219 0.000 1.159 264 S CA -0.747 57.336 58.200 -0.196 0.000 0.833 264 S CB 0.947 63.981 63.200 -0.276 0.000 1.151 264 S HN 0.265 nan 8.310 nan 0.000 0.485 265 L N 1.826 122.752 121.223 -0.495 0.000 2.289 265 L HA 0.564 4.904 4.340 0.000 0.000 0.285 265 L C -1.485 175.088 176.870 -0.495 0.000 1.049 265 L CA -0.221 54.285 54.840 -0.556 0.000 0.804 265 L CB 0.334 41.743 42.059 -1.084 0.000 1.195 265 L HN 0.533 nan 8.230 nan 0.000 0.428 266 F N 2.972 122.997 119.950 0.125 0.000 2.500 266 F HA 0.375 4.902 4.527 0.000 0.000 0.349 266 F C 0.383 176.351 175.800 0.279 0.000 1.127 266 F CA -0.666 57.424 58.000 0.149 0.000 0.998 266 F CB 1.804 40.848 39.000 0.074 0.000 1.237 266 F HN 0.407 nan 8.300 nan 0.000 0.439 267 M N 2.519 122.324 119.600 0.341 0.000 2.249 267 M HA 0.141 4.621 4.480 0.000 0.000 0.340 267 M C 1.075 177.461 176.300 0.143 0.000 1.166 267 M CA 0.845 56.288 55.300 0.238 0.000 1.115 267 M CB 0.626 33.324 32.600 0.164 0.000 1.606 267 M HN 0.737 nan 8.290 nan 0.000 0.448 268 T N -0.430 114.156 114.554 0.054 0.000 2.969 268 T HA 0.359 4.709 4.350 0.000 0.000 0.258 268 T C -0.057 174.659 174.700 0.026 0.000 0.962 268 T CA -0.332 61.796 62.100 0.047 0.000 0.903 268 T CB 0.009 68.900 68.868 0.038 0.000 1.177 268 T HN 0.611 nan 8.240 nan 0.000 0.511 269 N N 0.482 119.187 118.700 0.008 0.000 2.777 269 N HA 0.397 5.137 4.740 0.000 0.000 0.260 269 N C -2.076 173.456 175.510 0.036 0.000 1.113 269 N CA -0.267 52.796 53.050 0.022 0.000 0.996 269 N CB 2.025 40.512 38.487 0.001 0.000 1.584 269 N HN 0.106 nan 8.380 nan 0.000 0.573 270 V N 2.720 122.677 119.914 0.072 0.000 2.540 270 V HA 0.617 4.737 4.120 0.000 0.000 0.302 270 V C -0.805 175.395 176.094 0.177 0.000 1.035 270 V CA -0.735 61.622 62.300 0.094 0.000 0.873 270 V CB 1.757 33.617 31.823 0.062 0.000 0.992 270 V HN 0.674 nan 8.190 nan 0.000 0.428 271 W N 3.030 124.313 121.300 -0.028 0.000 2.632 271 W HA 0.705 5.365 4.660 -0.000 0.000 0.328 271 W C -0.353 176.143 176.519 -0.039 0.000 1.044 271 W CA -0.555 56.772 57.345 -0.029 0.000 1.225 271 W CB 2.053 31.495 29.460 -0.030 0.000 1.396 271 W HN 0.494 nan 8.180 nan 0.000 0.499 272 T N 7.844 122.016 114.554 -0.636 0.000 2.963 272 T HA 0.286 4.636 4.350 0.000 0.000 0.343 272 T C -2.478 171.562 174.700 -1.099 0.000 1.146 272 T CA -1.149 60.551 62.100 -0.667 0.000 1.016 272 T CB 0.796 69.484 68.868 -0.300 0.000 1.046 272 T HN 0.079 nan 8.240 nan 0.000 0.496 273 P HA 0.055 nan 4.420 nan 0.000 0.263 273 P C -1.607 175.406 177.300 -0.479 0.000 1.175 273 P CA -1.018 61.405 63.100 -1.129 0.000 0.761 273 P CB 0.346 31.567 31.700 -0.797 0.000 0.794 274 P HA -0.091 nan 4.420 nan 0.000 0.229 274 P C 0.056 177.296 177.300 -0.099 0.000 1.160 274 P CA 1.356 64.387 63.100 -0.115 0.000 0.777 274 P CB 0.394 32.084 31.700 -0.016 0.000 0.814 275 N N 0.264 118.897 118.700 -0.111 0.000 2.617 275 N HA 0.172 4.912 4.740 0.000 0.000 0.263 275 N C -2.051 173.380 175.510 -0.131 0.000 1.074 275 N CA -2.064 50.932 53.050 -0.090 0.000 0.841 275 N CB 1.556 40.018 38.487 -0.041 0.000 1.221 275 N HN -0.121 nan 8.380 nan 0.000 0.529 276 P HA 0.006 nan 4.420 nan 0.000 0.229 276 P C 0.483 177.656 177.300 -0.211 0.000 1.160 276 P CA 0.604 63.590 63.100 -0.191 0.000 0.777 276 P CB 0.610 32.213 31.700 -0.162 0.000 0.814 277 N N 0.062 118.676 118.700 -0.143 0.000 2.381 277 N HA -0.064 4.676 4.740 0.000 0.000 0.182 277 N C 1.526 176.961 175.510 -0.125 0.000 1.025 277 N CA 1.859 54.839 53.050 -0.117 0.000 0.888 277 N CB -0.456 38.010 38.487 -0.034 0.000 0.965 277 N HN 0.363 nan 8.380 nan 0.000 0.438 278 T N -3.188 111.298 114.554 -0.113 0.000 3.001 278 T HA 0.225 4.575 4.350 0.000 0.000 0.251 278 T C 0.600 175.297 174.700 -0.004 0.000 1.040 278 T CA -0.210 61.912 62.100 0.036 0.000 0.985 278 T CB 0.136 69.049 68.868 0.074 0.000 1.011 278 T HN -0.247 nan 8.240 nan 0.000 0.509 279 V N 2.192 121.947 119.914 -0.266 0.000 2.394 279 V HA 0.567 4.687 4.120 0.000 0.000 0.282 279 V C -1.162 174.671 176.094 -0.435 0.000 1.031 279 V CA -0.868 61.317 62.300 -0.191 0.000 0.881 279 V CB 0.328 32.059 31.823 -0.152 0.000 0.982 279 V HN 0.431 nan 8.190 nan 0.000 0.451 280 Y N 2.206 122.467 120.300 -0.065 0.000 2.553 280 Y HA 0.517 5.067 4.550 0.000 0.000 0.347 280 Y C 0.528 176.383 175.900 -0.076 0.000 1.019 280 Y CA -1.035 56.960 58.100 -0.176 0.000 1.032 280 Y CB 1.474 39.798 38.460 -0.227 0.000 1.284 280 Y HN 0.708 nan 8.280 nan 0.000 0.466 281 H N -0.619 118.556 119.070 0.175 0.000 2.677 281 H HA -0.199 4.357 4.556 0.000 0.000 0.321 281 H C -0.409 174.989 175.328 0.117 0.000 1.171 281 H CA 0.194 56.335 56.048 0.155 0.000 1.139 281 H CB -1.602 28.260 29.762 0.166 0.000 1.515 281 H HN 0.577 nan 8.280 nan 0.000 0.423 282 c N 0.798 119.479 118.600 0.135 0.000 2.676 282 c HA 0.404 4.974 4.570 0.000 0.000 0.416 282 c C 1.343 175.523 174.090 0.151 0.000 1.299 282 c CA 0.215 56.611 56.329 0.111 0.000 2.048 282 c CB 1.157 43.699 42.510 0.053 0.000 2.713 282 c HN 0.687 nan 8.230 nan 0.000 0.624 283 S N 0.848 116.662 115.700 0.189 0.000 2.540 283 S HA 0.776 5.246 4.470 0.000 0.000 0.275 283 S C -0.909 173.981 174.600 0.485 0.000 1.123 283 S CA -0.296 58.093 58.200 0.316 0.000 0.907 283 S CB 1.301 64.737 63.200 0.394 0.000 1.081 283 S HN 1.112 nan 8.310 nan 0.000 0.476 284 A N 3.147 126.257 122.820 0.484 0.000 2.355 284 A HA 0.856 5.176 4.320 0.000 0.000 0.317 284 A C -1.277 176.607 177.584 0.500 0.000 1.094 284 A CA -0.560 51.795 52.037 0.531 0.000 0.764 284 A CB 1.463 20.649 19.000 0.311 0.000 1.230 284 A HN 0.813 nan 8.150 nan 0.000 0.448 285 V N 2.203 122.396 119.914 0.464 0.000 2.686 285 V HA 0.338 4.458 4.120 0.000 0.000 0.306 285 V C -1.171 175.021 176.094 0.164 0.000 1.065 285 V CA -0.548 61.849 62.300 0.162 0.000 0.894 285 V CB 1.741 33.319 31.823 -0.408 0.000 1.004 285 V HN 0.871 nan 8.190 nan 0.000 0.424 286 Y N 4.567 124.714 120.300 -0.255 0.000 2.308 286 Y HA 0.695 5.245 4.550 -0.000 0.000 0.329 286 Y C -0.040 175.791 175.900 -0.115 0.000 1.111 286 Y CA -0.166 57.602 58.100 -0.552 0.000 1.179 286 Y CB 1.231 39.170 38.460 -0.868 0.000 1.201 286 Y HN 0.696 nan 8.280 nan 0.000 0.483 287 N N 4.626 122.790 118.700 -0.895 0.000 2.578 287 N HA 0.108 4.848 4.740 0.000 0.000 0.282 287 N C -1.788 173.393 175.510 -0.548 0.000 1.119 287 N CA -0.496 52.220 53.050 -0.557 0.000 0.948 287 N CB 0.687 39.080 38.487 -0.157 0.000 1.546 287 N HN 0.799 nan 8.380 nan 0.000 0.525 288 N N 2.818 121.221 118.700 -0.495 0.000 2.642 288 N HA -0.242 4.498 4.740 0.000 0.000 0.269 288 N C -0.451 174.923 175.510 -0.228 0.000 1.073 288 N CA 1.787 54.732 53.050 -0.175 0.000 0.748 288 N CB -0.594 37.888 38.487 -0.008 0.000 0.894 288 N HN 0.807 nan 8.380 nan 0.000 0.548 289 E N -2.303 117.686 120.200 -0.351 0.000 4.155 289 E HA -0.212 4.138 4.350 0.000 0.000 0.367 289 E C -0.834 175.235 176.600 -0.886 0.000 0.631 289 E CA 1.815 57.880 56.400 -0.558 0.000 1.351 289 E CB -1.352 27.941 29.700 -0.677 0.000 1.759 289 E HN 0.549 nan 8.360 nan 0.000 0.401 290 F N -0.809 118.916 119.950 -0.375 0.000 2.565 290 F HA 0.537 5.064 4.527 0.000 0.000 0.313 290 F C -0.174 175.418 175.800 -0.346 0.000 1.091 290 F CA -0.841 56.919 58.000 -0.400 0.000 0.915 290 F CB 1.198 39.823 39.000 -0.625 0.000 1.208 290 F HN -0.201 nan 8.300 nan 0.000 0.453 291 Y N 1.658 121.970 120.300 0.020 0.000 2.313 291 Y HA 0.395 4.945 4.550 -0.000 0.000 0.332 291 Y C -0.849 175.032 175.900 -0.031 0.000 1.071 291 Y CA -0.423 57.750 58.100 0.122 0.000 1.169 291 Y CB 0.854 39.401 38.460 0.146 0.000 1.192 291 Y HN 0.440 nan 8.280 nan 0.000 0.487 292 Y N 2.841 123.337 120.300 0.328 0.000 2.331 292 Y HA 0.520 5.070 4.550 0.000 0.000 0.338 292 Y C -0.604 175.537 175.900 0.402 0.000 0.992 292 Y CA -0.977 57.288 58.100 0.275 0.000 1.121 292 Y CB 1.233 39.846 38.460 0.255 0.000 1.184 292 Y HN 0.162 nan 8.280 nan 0.000 0.469 293 V N 5.641 125.762 119.914 0.345 0.000 2.407 293 V HA 0.288 4.408 4.120 0.000 0.000 0.291 293 V C -0.803 175.332 176.094 0.068 0.000 1.018 293 V CA -0.741 61.718 62.300 0.264 0.000 0.842 293 V CB 1.493 33.431 31.823 0.192 0.000 0.996 293 V HN 0.518 nan 8.190 nan 0.000 0.426 294 L N 6.269 127.422 121.223 -0.117 0.000 2.282 294 L HA 0.764 5.104 4.340 0.000 0.000 0.288 294 L C -0.355 176.462 176.870 -0.088 0.000 1.033 294 L CA 0.490 55.146 54.840 -0.306 0.000 0.807 294 L CB 0.870 42.385 42.059 -0.906 0.000 1.209 294 L HN 0.804 nan 8.230 nan 0.000 0.423 295 c N 3.151 121.750 118.600 -0.001 0.000 2.889 295 c HA 0.891 5.461 4.570 0.000 0.000 0.307 295 c C 0.327 174.501 174.090 0.139 0.000 1.251 295 c CA -1.080 55.301 56.329 0.087 0.000 1.593 295 c CB 1.348 43.915 42.510 0.095 0.000 2.104 295 c HN 0.988 nan 8.230 nan 0.000 0.476 296 A N 0.950 123.890 122.820 0.200 0.000 2.340 296 A HA 0.671 4.991 4.320 0.000 0.000 0.268 296 A C -0.589 177.180 177.584 0.308 0.000 1.100 296 A CA -0.137 52.072 52.037 0.286 0.000 0.803 296 A CB 0.253 19.327 19.000 0.124 0.000 1.043 296 A HN 0.794 nan 8.150 nan 0.000 0.488 297 V N 1.816 121.961 119.914 0.386 0.000 2.448 297 V HA 0.658 4.778 4.120 0.000 0.000 0.295 297 V C 0.151 176.520 176.094 0.458 0.000 1.025 297 V CA -0.195 62.307 62.300 0.336 0.000 0.859 297 V CB 1.348 33.304 31.823 0.221 0.000 0.988 297 V HN 0.948 nan 8.190 nan 0.000 0.431 298 S N 2.476 118.416 115.700 0.400 0.000 2.572 298 S HA 0.489 4.959 4.470 0.000 0.000 0.274 298 S C 0.399 175.165 174.600 0.276 0.000 1.150 298 S CA 0.147 58.554 58.200 0.345 0.000 0.944 298 S CB 1.972 65.190 63.200 0.030 0.000 1.071 298 S HN 0.960 nan 8.310 nan 0.000 0.479 299 T N 0.808 115.483 114.554 0.201 0.000 3.134 299 T HA 0.201 4.551 4.350 0.000 0.000 0.260 299 T C 0.961 175.718 174.700 0.096 0.000 1.027 299 T CA 0.485 62.667 62.100 0.138 0.000 0.913 299 T CB -0.224 68.703 68.868 0.098 0.000 1.046 299 T HN 0.956 nan 8.240 nan 0.000 0.553 300 V N -2.468 117.501 119.914 0.092 0.000 3.276 300 V HA 0.760 4.881 4.120 0.000 0.000 0.319 300 V C 0.895 176.982 176.094 -0.013 0.000 1.427 300 V CA -0.056 62.266 62.300 0.037 0.000 1.102 300 V CB -0.751 31.122 31.823 0.083 0.000 1.020 300 V HN 0.815 nan 8.190 nan 0.000 0.456 301 G N 0.720 109.505 108.800 -0.025 0.000 2.582 301 G HA2 -0.173 3.787 3.960 0.000 0.000 0.222 301 G HA3 -0.173 3.787 3.960 0.000 0.000 0.222 301 G C -0.729 173.845 174.900 -0.544 0.000 1.311 301 G CA -0.112 44.927 45.100 -0.101 0.000 0.915 301 G HN 0.623 nan 8.290 nan 0.000 0.528 302 D N 0.964 121.060 120.400 -0.507 0.000 2.472 302 D HA 0.282 4.922 4.640 0.000 0.000 0.248 302 D C -0.529 175.509 176.300 -0.437 0.000 1.174 302 D CA -1.128 52.492 54.000 -0.633 0.000 0.883 302 D CB 1.112 41.849 40.800 -0.105 0.000 1.149 302 D HN 0.024 nan 8.370 nan 0.000 0.488 303 P HA -0.149 nan 4.420 nan 0.000 0.217 303 P C 1.621 178.791 177.300 -0.217 0.000 1.148 303 P CA 0.590 63.309 63.100 -0.634 0.000 0.828 303 P CB 0.276 31.123 31.700 -1.422 0.000 0.783 304 I N -1.468 119.052 120.570 -0.084 0.000 2.286 304 I HA -0.164 4.006 4.170 0.000 0.000 0.248 304 I C 2.050 178.203 176.117 0.061 0.000 1.115 304 I CA 1.621 62.953 61.300 0.052 0.000 1.392 304 I CB -1.178 36.876 38.000 0.090 0.000 1.065 304 I HN 0.040 nan 8.210 nan 0.000 0.418 305 L N -0.345 120.911 121.223 0.056 0.000 2.529 305 L HA 0.059 4.399 4.340 0.000 0.000 0.223 305 L C 0.666 177.569 176.870 0.056 0.000 1.113 305 L CA 0.378 55.257 54.840 0.066 0.000 0.861 305 L CB -0.184 41.933 42.059 0.096 0.000 1.012 305 L HN 0.193 nan 8.230 nan 0.000 0.461 306 N N -0.707 118.018 118.700 0.042 0.000 2.646 306 N HA 0.027 4.767 4.740 0.000 0.000 0.303 306 N C 1.072 176.670 175.510 0.146 0.000 1.921 306 N CA 0.162 53.271 53.050 0.099 0.000 0.872 306 N CB 0.479 39.006 38.487 0.066 0.000 1.327 306 N HN 0.016 nan 8.380 nan 0.000 0.492 307 S N -1.907 113.890 115.700 0.161 0.000 2.402 307 S HA -0.161 4.309 4.470 0.000 0.000 0.229 307 S C 1.843 176.595 174.600 0.254 0.000 1.021 307 S CA 1.716 60.014 58.200 0.163 0.000 0.974 307 S CB -0.656 62.760 63.200 0.361 0.000 0.800 307 S HN 0.433 nan 8.310 nan 0.000 0.484 308 T N -2.099 112.589 114.554 0.223 0.000 2.995 308 T HA 0.062 4.412 4.350 0.000 0.000 0.269 308 T C 1.343 175.954 174.700 -0.148 0.000 1.091 308 T CA 0.552 62.662 62.100 0.018 0.000 1.128 308 T CB -0.631 68.078 68.868 -0.265 0.000 0.891 308 T HN 0.517 nan 8.240 nan 0.000 0.492 309 Y N -0.897 119.435 120.300 0.053 0.000 2.478 309 Y HA 0.377 4.927 4.550 0.000 0.000 0.261 309 Y C 0.756 176.700 175.900 0.072 0.000 1.127 309 Y CA -1.891 56.230 58.100 0.036 0.000 1.288 309 Y CB 0.049 38.526 38.460 0.028 0.000 1.084 309 Y HN 0.276 nan 8.280 nan 0.000 0.530 310 W N 2.361 123.660 121.300 -0.002 0.000 2.264 310 W HA 0.094 4.753 4.660 -0.000 0.000 0.331 310 W C 1.701 178.157 176.519 -0.105 0.000 1.364 310 W CA -0.037 57.253 57.345 -0.092 0.000 1.253 310 W CB 0.980 30.308 29.460 -0.220 0.000 1.215 310 W HN 0.098 nan 8.180 nan 0.000 0.561 311 S N 3.569 118.967 115.700 -0.504 0.000 2.447 311 S HA 0.016 4.486 4.470 0.000 0.000 0.233 311 S C 1.684 175.715 174.600 -0.949 0.000 1.006 311 S CA 0.908 58.778 58.200 -0.550 0.000 0.957 311 S CB -0.592 62.430 63.200 -0.296 0.000 0.773 311 S HN 1.725 nan 8.310 nan 0.000 0.507 312 G N 0.557 108.090 108.800 -2.112 0.000 2.159 312 G HA2 -0.253 3.707 3.960 0.000 0.000 0.256 312 G HA3 -0.253 3.707 3.960 0.000 0.000 0.256 312 G C 0.089 174.398 174.900 -0.984 0.000 0.977 312 G CA 0.130 44.006 45.100 -2.039 0.000 0.652 312 G HN 0.702 nan 8.290 nan 0.000 0.531 313 S N 0.253 115.604 115.700 -0.583 0.000 2.549 313 S HA 0.593 5.063 4.470 0.000 0.000 0.283 313 S C 0.395 175.080 174.600 0.142 0.000 1.320 313 S CA 0.100 58.237 58.200 -0.105 0.000 1.058 313 S CB 1.159 64.358 63.200 -0.002 0.000 0.882 313 S HN 0.484 nan 8.310 nan 0.000 0.498 314 L N 3.362 124.639 121.223 0.090 0.000 2.370 314 L HA 0.691 5.031 4.340 0.000 0.000 0.266 314 L C -0.391 176.520 176.870 0.068 0.000 1.002 314 L CA -0.778 54.134 54.840 0.120 0.000 0.818 314 L CB 1.784 43.890 42.059 0.077 0.000 1.325 314 L HN 0.675 nan 8.230 nan 0.000 0.418 315 M N 2.013 121.651 119.600 0.062 0.000 2.457 315 M HA 0.718 5.198 4.480 0.000 0.000 0.300 315 M C -1.186 175.104 176.300 -0.017 0.000 1.141 315 M CA -0.663 54.656 55.300 0.031 0.000 0.901 315 M CB 2.543 35.185 32.600 0.070 0.000 1.687 315 M HN 0.516 nan 8.290 nan 0.000 0.449 316 M N 2.651 122.220 119.600 -0.052 0.000 2.167 316 M HA 0.570 5.050 4.480 0.000 0.000 0.333 316 M C -1.596 174.671 176.300 -0.054 0.000 1.030 316 M CA 0.330 55.573 55.300 -0.094 0.000 0.963 316 M CB 1.959 34.448 32.600 -0.185 0.000 1.589 316 M HN 0.850 nan 8.290 nan 0.000 0.431 317 T N 5.152 119.686 114.554 -0.034 0.000 2.807 317 T HA 0.532 4.882 4.350 0.000 0.000 0.279 317 T C -0.824 173.820 174.700 -0.094 0.000 0.993 317 T CA -0.700 61.338 62.100 -0.104 0.000 0.970 317 T CB 1.289 70.095 68.868 -0.104 0.000 0.950 317 T HN 0.658 nan 8.240 nan 0.000 0.441 318 R N 3.252 123.634 120.500 -0.198 0.000 2.387 318 R HA 0.631 4.971 4.340 0.000 0.000 0.314 318 R C -1.388 174.761 176.300 -0.253 0.000 0.958 318 R CA -0.646 55.237 56.100 -0.361 0.000 0.846 318 R CB 0.549 30.507 30.300 -0.570 0.000 1.147 318 R HN 0.562 nan 8.270 nan 0.000 0.447 319 L N 3.506 124.645 121.223 -0.140 0.000 2.356 319 L HA 0.525 4.865 4.340 0.000 0.000 0.277 319 L C -0.059 176.822 176.870 0.017 0.000 0.996 319 L CA -0.934 53.878 54.840 -0.045 0.000 0.822 319 L CB 2.010 44.071 42.059 0.003 0.000 1.256 319 L HN 0.700 nan 8.230 nan 0.000 0.413 320 A N 2.316 125.100 122.820 -0.060 0.000 2.450 320 A HA 0.335 4.655 4.320 0.000 0.000 0.255 320 A C 1.125 178.592 177.584 -0.195 0.000 1.096 320 A CA -0.169 51.702 52.037 -0.277 0.000 0.778 320 A CB 0.663 19.359 19.000 -0.507 0.000 1.031 320 A HN 0.760 nan 8.150 nan 0.000 0.494 321 V N -0.194 119.554 119.914 -0.276 0.000 2.719 321 V HA 0.083 4.203 4.120 0.000 0.000 0.252 321 V C 0.513 176.506 176.094 -0.168 0.000 1.065 321 V CA 1.180 63.324 62.300 -0.259 0.000 1.086 321 V CB -0.580 30.876 31.823 -0.611 0.000 0.700 321 V HN 0.596 nan 8.190 nan 0.000 0.467 322 K N 2.429 122.743 120.400 -0.144 0.000 2.562 322 K HA 0.480 4.800 4.320 0.000 0.000 0.206 322 K C -2.825 173.828 176.600 0.089 0.000 1.033 322 K CA -1.623 54.657 56.287 -0.012 0.000 1.029 322 K CB 1.206 33.706 32.500 0.001 0.000 1.393 322 K HN 0.381 nan 8.250 nan 0.000 0.539 323 P HA 0.201 nan 4.420 nan 0.000 0.274 323 P C -0.599 176.795 177.300 0.156 0.000 1.246 323 P CA -0.394 62.812 63.100 0.177 0.000 0.795 323 P CB 1.118 32.876 31.700 0.097 0.000 1.006 324 K N -0.158 120.348 120.400 0.176 0.000 2.207 324 K HA 0.259 4.579 4.320 0.000 0.000 0.255 324 K C 1.208 177.843 176.600 0.059 0.000 0.941 324 K CA -0.446 55.877 56.287 0.061 0.000 0.825 324 K CB 1.138 33.615 32.500 -0.037 0.000 1.119 324 K HN 0.338 nan 8.250 nan 0.000 0.430 325 S N 0.990 116.708 115.700 0.030 0.000 2.555 325 S HA -0.103 4.368 4.470 0.000 0.000 0.230 325 S C 0.931 175.546 174.600 0.025 0.000 0.978 325 S CA 0.627 58.845 58.200 0.029 0.000 0.934 325 S CB -0.305 62.907 63.200 0.019 0.000 0.766 325 S HN 0.513 nan 8.310 nan 0.000 0.533 326 N N 2.350 121.060 118.700 0.017 0.000 2.171 326 N HA 0.172 4.912 4.740 0.000 0.000 0.184 326 N C 1.495 177.029 175.510 0.040 0.000 1.021 326 N CA 1.075 54.134 53.050 0.015 0.000 0.854 326 N CB -1.200 37.281 38.487 -0.011 0.000 0.994 326 N HN 0.633 nan 8.380 nan 0.000 0.426 327 G N -0.004 108.837 108.800 0.070 0.000 2.498 327 G HA2 0.081 4.041 3.960 0.000 0.000 0.251 327 G HA3 0.081 4.041 3.960 0.000 0.000 0.251 327 G C 0.397 175.364 174.900 0.112 0.000 1.170 327 G CA 0.215 45.371 45.100 0.093 0.000 0.944 327 G HN 0.987 nan 8.290 nan 0.000 0.567 328 G N -1.438 107.412 108.800 0.082 0.000 2.569 328 G HA2 0.238 4.198 3.960 0.000 0.000 0.259 328 G HA3 0.238 4.198 3.960 0.000 0.000 0.259 328 G C 1.809 176.771 174.900 0.103 0.000 1.263 328 G CA 1.824 46.971 45.100 0.080 0.000 0.928 328 G HN 2.469 nan 8.290 nan 0.000 0.572 329 G N -1.170 107.709 108.800 0.132 0.000 2.509 329 G HA2 0.073 4.033 3.960 0.000 0.000 0.218 329 G HA3 0.073 4.033 3.960 0.000 0.000 0.218 329 G C 1.412 176.380 174.900 0.113 0.000 1.124 329 G CA 1.859 47.082 45.100 0.205 0.000 0.776 329 G HN 0.894 nan 8.290 nan 0.000 0.547 330 Y N 1.857 122.178 120.300 0.035 0.000 2.163 330 Y HA -0.102 4.448 4.550 0.000 0.000 0.288 330 Y C 2.559 178.547 175.900 0.147 0.000 1.136 330 Y CA 1.900 60.053 58.100 0.089 0.000 1.147 330 Y CB -0.110 38.409 38.460 0.099 0.000 0.987 330 Y HN 0.132 nan 8.280 nan 0.000 0.509 331 N N 0.084 118.851 118.700 0.112 0.000 2.080 331 N HA -0.088 4.652 4.740 0.000 0.000 0.189 331 N C -0.325 175.145 175.510 -0.065 0.000 1.036 331 N CA 1.402 54.460 53.050 0.013 0.000 0.846 331 N CB -0.135 38.408 38.487 0.095 0.000 1.015 331 N HN 0.496 nan 8.380 nan 0.000 0.423 332 Q N -0.702 119.055 119.800 -0.071 0.000 2.289 332 Q HA 0.350 4.690 4.340 0.000 0.000 0.270 332 Q C -1.363 174.532 176.000 -0.175 0.000 1.038 332 Q CA -0.442 55.254 55.803 -0.179 0.000 0.812 332 Q CB 3.021 31.606 28.738 -0.255 0.000 1.300 332 Q HN 0.246 nan 8.270 nan 0.000 0.427 333 H N 1.694 120.549 119.070 -0.359 0.000 3.026 333 H HA 0.159 4.715 4.556 0.000 0.000 0.352 333 H C -1.283 173.853 175.328 -0.320 0.000 1.090 333 H CA -0.469 55.396 56.048 -0.306 0.000 1.268 333 H CB 1.802 31.407 29.762 -0.261 0.000 1.816 333 H HN 0.582 nan 8.280 nan 0.000 0.518 334 Q N 4.044 123.525 119.800 -0.531 0.000 2.295 334 Q HA 0.179 4.519 4.340 0.000 0.000 0.259 334 Q C -0.345 175.554 176.000 -0.167 0.000 0.976 334 Q CA -0.884 54.723 55.803 -0.327 0.000 0.923 334 Q CB 1.741 30.298 28.738 -0.301 0.000 1.185 334 Q HN 0.302 nan 8.270 nan 0.000 0.410 335 L N 1.621 122.850 121.223 0.010 0.000 2.312 335 L HA 0.368 4.708 4.340 0.000 0.000 0.281 335 L C 0.217 177.124 176.870 0.062 0.000 1.070 335 L CA -0.384 54.523 54.840 0.113 0.000 0.805 335 L CB 1.075 43.231 42.059 0.163 0.000 1.174 335 L HN 0.630 nan 8.230 nan 0.000 0.434 336 A N 5.088 127.956 122.820 0.080 0.000 2.310 336 A HA 0.493 4.813 4.320 0.000 0.000 0.300 336 A C -0.136 177.500 177.584 0.088 0.000 1.269 336 A CA -0.437 51.635 52.037 0.057 0.000 0.909 336 A CB -0.457 18.568 19.000 0.043 0.000 1.144 336 A HN 0.669 nan 8.150 nan 0.000 0.540 337 L N 4.029 125.299 121.223 0.079 0.000 2.433 337 L HA 0.176 4.516 4.340 0.000 0.000 0.284 337 L C 1.950 178.862 176.870 0.070 0.000 1.120 337 L CA -0.294 54.609 54.840 0.106 0.000 0.879 337 L CB 0.294 42.402 42.059 0.082 0.000 1.232 337 L HN 1.024 nan 8.230 nan 0.000 0.454 338 R N 2.111 122.653 120.500 0.069 0.000 2.152 338 R HA -0.068 4.272 4.340 0.000 0.000 0.232 338 R C 0.487 176.807 176.300 0.032 0.000 1.117 338 R CA 1.108 57.232 56.100 0.039 0.000 0.981 338 R CB 0.257 30.574 30.300 0.028 0.000 0.870 338 R HN 0.557 nan 8.270 nan 0.000 0.451 339 S N -1.140 114.586 115.700 0.044 0.000 2.558 339 S HA 0.402 4.872 4.470 0.000 0.000 0.277 339 S C -1.423 173.209 174.600 0.053 0.000 1.143 339 S CA -0.913 57.309 58.200 0.037 0.000 0.865 339 S CB 1.185 64.403 63.200 0.030 0.000 1.102 339 S HN 0.214 nan 8.310 nan 0.000 0.454 340 I N 3.151 123.746 120.570 0.042 0.000 2.390 340 I HA 0.364 4.534 4.170 0.000 0.000 0.283 340 I C 0.024 176.181 176.117 0.067 0.000 1.016 340 I CA -0.401 60.933 61.300 0.056 0.000 1.151 340 I CB 1.556 39.571 38.000 0.025 0.000 1.293 340 I HN 0.641 nan 8.210 nan 0.000 0.458 341 E N 7.517 127.775 120.200 0.096 0.000 2.105 341 E HA 0.152 4.502 4.350 0.000 0.000 0.285 341 E C 0.382 177.082 176.600 0.166 0.000 1.055 341 E CA -0.176 56.292 56.400 0.113 0.000 0.843 341 E CB 0.651 30.415 29.700 0.106 0.000 1.067 341 E HN 0.644 nan 8.360 nan 0.000 0.398 342 K N 3.373 123.874 120.400 0.167 0.000 2.477 342 K HA 0.258 4.578 4.320 0.000 0.000 0.208 342 K C 1.002 177.797 176.600 0.325 0.000 1.117 342 K CA 0.013 56.441 56.287 0.235 0.000 1.039 342 K CB 0.811 33.393 32.500 0.136 0.000 0.937 342 K HN 0.624 nan 8.250 nan 0.000 0.570 343 G N 3.107 112.049 108.800 0.237 0.000 2.629 343 G HA2 -0.426 3.534 3.960 0.000 0.000 0.313 343 G HA3 -0.426 3.534 3.960 0.000 0.000 0.313 343 G C 0.689 175.689 174.900 0.167 0.000 1.217 343 G CA 0.707 45.937 45.100 0.216 0.000 0.994 343 G HN 0.358 nan 8.290 nan 0.000 0.549 344 R N -0.282 120.298 120.500 0.133 0.000 2.275 344 R HA 0.220 4.560 4.340 0.000 0.000 0.199 344 R C 0.439 176.667 176.300 -0.120 0.000 0.989 344 R CA 0.249 56.327 56.100 -0.037 0.000 1.016 344 R CB -0.022 30.193 30.300 -0.142 0.000 0.918 344 R HN 0.443 nan 8.270 nan 0.000 0.473 345 Y N 0.619 120.974 120.300 0.092 0.000 2.346 345 Y HA -0.058 4.492 4.550 0.001 0.000 0.330 345 Y C 1.448 177.361 175.900 0.021 0.000 1.178 345 Y CA -0.305 57.822 58.100 0.045 0.000 1.331 345 Y CB 0.568 39.000 38.460 -0.046 0.000 1.253 345 Y HN -0.129 nan 8.280 nan 0.000 0.529 346 D N 1.487 121.972 120.400 0.142 0.000 2.123 346 D HA -0.063 4.577 4.640 0.000 0.000 0.200 346 D C -0.262 176.022 176.300 -0.028 0.000 0.976 346 D CA 1.393 55.440 54.000 0.079 0.000 0.831 346 D CB 0.380 41.285 40.800 0.175 0.000 0.974 346 D HN 0.625 nan 8.370 nan 0.000 0.469 347 K N -1.016 119.354 120.400 -0.048 0.000 2.555 347 K HA 0.531 4.851 4.320 0.000 0.000 0.279 347 K C -1.088 175.540 176.600 0.047 0.000 0.986 347 K CA -0.996 55.216 56.287 -0.125 0.000 0.880 347 K CB 2.916 35.183 32.500 -0.388 0.000 1.474 347 K HN -0.148 nan 8.250 nan 0.000 0.433 348 V N -2.126 117.808 119.914 0.033 0.000 3.049 348 V HA 0.797 4.917 4.120 0.000 0.000 0.309 348 V C -0.980 175.240 176.094 0.210 0.000 1.148 348 V CA -0.877 61.408 62.300 -0.025 0.000 0.990 348 V CB 2.064 33.721 31.823 -0.277 0.000 1.039 348 V HN 0.948 nan 8.190 nan 0.000 0.430 349 M N 3.584 123.283 119.600 0.165 0.000 2.414 349 M HA 0.581 5.061 4.480 0.000 0.000 0.287 349 M C -3.108 173.276 176.300 0.141 0.000 1.181 349 M CA -1.529 53.894 55.300 0.204 0.000 0.933 349 M CB 3.118 35.800 32.600 0.138 0.000 1.732 349 M HN 0.633 nan 8.290 nan 0.000 0.486 350 P HA 0.038 nan 4.420 nan 0.000 0.269 350 P C -1.719 175.746 177.300 0.275 0.000 1.209 350 P CA 0.481 63.704 63.100 0.205 0.000 0.776 350 P CB 0.109 31.889 31.700 0.133 0.000 0.876 351 Y N 1.440 121.817 120.300 0.128 0.000 2.532 351 Y HA 0.448 4.998 4.550 0.000 0.000 0.318 351 Y C -0.165 175.802 175.900 0.111 0.000 1.138 351 Y CA -0.339 57.800 58.100 0.064 0.000 1.306 351 Y CB 0.643 39.096 38.460 -0.013 0.000 1.106 351 Y HN 0.809 nan 8.280 nan 0.000 0.588 352 G N 3.068 111.957 108.800 0.148 0.000 2.350 352 G HA2 0.034 3.994 3.960 0.000 0.000 0.305 352 G HA3 0.034 3.994 3.960 0.000 0.000 0.305 352 G C -3.010 171.945 174.900 0.092 0.000 1.479 352 G CA -0.817 44.308 45.100 0.042 0.000 0.949 352 G HN 0.046 nan 8.290 nan 0.000 0.651 353 P HA 0.097 nan 4.420 nan 0.000 0.222 353 P C 0.678 178.089 177.300 0.185 0.000 1.153 353 P CA 1.472 64.611 63.100 0.065 0.000 0.798 353 P CB 0.292 31.988 31.700 -0.007 0.000 0.796 354 S N -2.497 113.344 115.700 0.235 0.000 2.547 354 S HA 0.709 5.179 4.470 0.000 0.000 0.270 354 S C -0.371 174.395 174.600 0.276 0.000 1.150 354 S CA -0.422 57.948 58.200 0.284 0.000 0.850 354 S CB 1.715 65.089 63.200 0.290 0.000 1.118 354 S HN 0.241 nan 8.310 nan 0.000 0.461 355 G N 0.299 109.236 108.800 0.227 0.000 3.222 355 G HA2 0.829 4.789 3.960 0.000 0.000 0.263 355 G HA3 0.829 4.789 3.960 0.000 0.000 0.263 355 G C -0.793 174.196 174.900 0.150 0.000 1.312 355 G CA -0.722 44.477 45.100 0.166 0.000 0.934 355 G HN 1.410 nan 8.290 nan 0.000 0.577 356 I N -2.374 118.272 120.570 0.127 0.000 2.957 356 I HA 0.781 4.951 4.170 0.000 0.000 0.310 356 I C -0.703 175.482 176.117 0.113 0.000 1.063 356 I CA -1.256 60.130 61.300 0.142 0.000 1.033 356 I CB 2.581 40.672 38.000 0.152 0.000 1.230 356 I HN 0.457 nan 8.210 nan 0.000 0.447 357 K N 2.785 123.249 120.400 0.107 0.000 2.203 357 K HA 0.513 4.833 4.320 0.000 0.000 0.251 357 K C -1.418 175.264 176.600 0.136 0.000 0.944 357 K CA -0.479 55.861 56.287 0.088 0.000 0.829 357 K CB 2.023 34.525 32.500 0.003 0.000 1.125 357 K HN 0.889 nan 8.250 nan 0.000 0.430 358 Q N 1.598 121.497 119.800 0.165 0.000 2.464 358 Q HA 0.358 4.698 4.340 0.000 0.000 0.256 358 Q C 0.091 176.142 176.000 0.085 0.000 1.020 358 Q CA -0.239 55.644 55.803 0.133 0.000 0.716 358 Q CB 1.363 30.206 28.738 0.175 0.000 1.230 358 Q HN 1.080 nan 8.270 nan 0.000 0.494 359 G N 3.452 112.283 108.800 0.051 0.000 2.557 359 G HA2 -0.407 3.553 3.960 0.000 0.000 0.292 359 G HA3 -0.407 3.553 3.960 0.000 0.000 0.292 359 G C 0.395 175.293 174.900 -0.004 0.000 1.162 359 G CA 0.598 45.714 45.100 0.026 0.000 0.964 359 G HN 0.741 nan 8.290 nan 0.000 0.541 360 D N 0.589 120.977 120.400 -0.021 0.000 2.340 360 D HA 0.277 4.917 4.640 0.000 0.000 0.220 360 D C 1.025 177.258 176.300 -0.112 0.000 1.039 360 D CA 1.320 55.283 54.000 -0.061 0.000 0.866 360 D CB -0.101 40.663 40.800 -0.059 0.000 0.913 360 D HN 0.535 nan 8.370 nan 0.000 0.523 361 T N 0.924 115.421 114.554 -0.097 0.000 2.797 361 T HA 0.521 4.871 4.350 0.000 0.000 0.279 361 T C 0.012 174.565 174.700 -0.244 0.000 0.991 361 T CA -0.740 61.243 62.100 -0.195 0.000 0.979 361 T CB 1.655 70.406 68.868 -0.195 0.000 0.943 361 T HN 0.008 nan 8.240 nan 0.000 0.444 362 L N 3.076 124.109 121.223 -0.317 0.000 2.322 362 L HA 0.562 4.902 4.340 0.000 0.000 0.279 362 L C -1.065 175.522 176.870 -0.471 0.000 1.036 362 L CA -1.039 53.613 54.840 -0.313 0.000 0.807 362 L CB 0.731 42.622 42.059 -0.279 0.000 1.226 362 L HN 0.647 nan 8.230 nan 0.000 0.433 363 Y N 1.912 122.136 120.300 -0.126 0.000 2.332 363 Y HA 0.453 5.003 4.550 -0.000 0.000 0.326 363 Y C -0.487 175.390 175.900 -0.037 0.000 0.978 363 Y CA -0.454 57.653 58.100 0.011 0.000 1.205 363 Y CB 1.199 39.689 38.460 0.050 0.000 1.131 363 Y HN 0.288 nan 8.280 nan 0.000 0.462 364 F N 5.207 125.321 119.950 0.273 0.000 2.404 364 F HA 0.474 5.001 4.527 0.000 0.000 0.339 364 F C -1.997 173.980 175.800 0.295 0.000 1.105 364 F CA -2.688 55.468 58.000 0.259 0.000 1.087 364 F CB 1.045 40.170 39.000 0.208 0.000 1.143 364 F HN 0.271 nan 8.300 nan 0.000 0.491 365 P HA 0.264 nan 4.420 nan 0.000 0.268 365 P C -1.036 176.517 177.300 0.423 0.000 1.205 365 P CA 0.113 63.463 63.100 0.417 0.000 0.771 365 P CB 1.189 33.066 31.700 0.295 0.000 0.858 366 A N 2.518 125.600 122.820 0.438 0.000 2.588 366 A HA 0.744 5.064 4.320 0.000 0.000 0.290 366 A C -1.478 176.366 177.584 0.434 0.000 1.136 366 A CA -0.668 51.628 52.037 0.431 0.000 0.681 366 A CB 1.817 21.113 19.000 0.493 0.000 1.282 366 A HN 0.422 nan 8.150 nan 0.000 0.421 367 V N -0.696 119.363 119.914 0.243 0.000 2.971 367 V HA 0.822 4.942 4.120 0.000 0.000 0.309 367 V C -0.025 175.811 176.094 -0.430 0.000 1.130 367 V CA 0.385 62.691 62.300 0.009 0.000 0.964 367 V CB 2.242 33.970 31.823 -0.158 0.000 1.029 367 V HN 1.801 nan 8.190 nan 0.000 0.427 368 G N 3.580 112.007 108.800 -0.622 0.000 2.452 368 G HA2 0.669 4.629 3.960 0.000 0.000 0.324 368 G HA3 0.669 4.629 3.960 0.000 0.000 0.324 368 G C -1.402 173.311 174.900 -0.311 0.000 1.214 368 G CA -0.512 44.091 45.100 -0.829 0.000 0.947 368 G HN 0.532 nan 8.290 nan 0.000 0.478 369 F N 1.603 121.455 119.950 -0.163 0.000 2.334 369 F HA 0.401 4.928 4.527 -0.000 0.000 0.367 369 F C 0.117 175.896 175.800 -0.035 0.000 1.115 369 F CA -0.743 57.100 58.000 -0.261 0.000 1.116 369 F CB 1.768 40.311 39.000 -0.763 0.000 1.230 369 F HN 0.219 nan 8.300 nan 0.000 0.484 370 L N 4.742 126.120 121.223 0.257 0.000 2.296 370 L HA 0.567 4.907 4.340 0.000 0.000 0.286 370 L C -0.484 176.546 176.870 0.267 0.000 1.023 370 L CA -0.651 54.290 54.840 0.168 0.000 0.812 370 L CB 1.411 43.459 42.059 -0.020 0.000 1.223 370 L HN 0.291 nan 8.230 nan 0.000 0.421 371 V N 6.278 126.313 119.914 0.203 0.000 2.584 371 V HA -0.046 4.074 4.120 0.000 0.000 0.303 371 V C 1.815 177.859 176.094 -0.084 0.000 1.035 371 V CA 0.489 62.736 62.300 -0.089 0.000 1.172 371 V CB 0.149 31.866 31.823 -0.177 0.000 0.896 371 V HN 0.917 nan 8.190 nan 0.000 0.486 372 R N 3.399 123.800 120.500 -0.165 0.000 2.117 372 R HA -0.175 4.165 4.340 0.000 0.000 0.243 372 R C 2.126 178.444 176.300 0.030 0.000 1.143 372 R CA 2.069 58.137 56.100 -0.053 0.000 0.968 372 R CB -0.264 29.982 30.300 -0.091 0.000 0.863 372 R HN 0.969 nan 8.270 nan 0.000 0.444 373 T N -1.786 112.747 114.554 -0.034 0.000 3.051 373 T HA 0.006 4.356 4.350 0.000 0.000 0.269 373 T C 1.192 175.910 174.700 0.031 0.000 1.127 373 T CA 0.715 62.817 62.100 0.003 0.000 1.107 373 T CB 0.079 68.931 68.868 -0.027 0.000 0.898 373 T HN 0.213 nan 8.240 nan 0.000 0.517 374 E N 0.216 120.441 120.200 0.041 0.000 2.452 374 E HA 0.238 4.588 4.350 0.000 0.000 0.197 374 E C 0.035 176.704 176.600 0.116 0.000 1.022 374 E CA -0.376 56.053 56.400 0.048 0.000 0.890 374 E CB -0.117 29.589 29.700 0.009 0.000 0.918 374 E HN 0.567 nan 8.360 nan 0.000 0.496 375 F N 3.307 123.253 119.950 -0.007 0.000 2.541 375 F HA 0.026 4.553 4.527 -0.000 0.000 0.378 375 F C 0.309 176.151 175.800 0.070 0.000 1.068 375 F CA -0.474 57.546 58.000 0.033 0.000 1.199 375 F CB 0.417 39.441 39.000 0.040 0.000 1.091 375 F HN -0.404 nan 8.300 nan 0.000 0.555 376 K N 7.711 127.926 120.400 -0.309 0.000 2.253 376 K HA 0.269 4.589 4.320 0.000 0.000 0.277 376 K C -1.592 174.691 176.600 -0.527 0.000 1.053 376 K CA -0.362 55.741 56.287 -0.307 0.000 0.892 376 K CB 1.035 33.450 32.500 -0.143 0.000 1.102 376 K HN 0.765 nan 8.250 nan 0.000 0.469 377 Y N 1.740 121.731 120.300 -0.515 0.000 2.424 377 Y HA 0.204 4.754 4.550 -0.000 0.000 0.323 377 Y C -1.306 174.483 175.900 -0.186 0.000 1.174 377 Y CA -0.862 56.983 58.100 -0.425 0.000 1.060 377 Y CB 1.517 39.623 38.460 -0.590 0.000 1.314 377 Y HN 0.475 nan 8.280 nan 0.000 0.439 378 N N 5.033 123.418 118.700 -0.524 0.000 2.422 378 N HA 0.141 4.881 4.740 0.000 0.000 0.266 378 N C 0.077 175.440 175.510 -0.244 0.000 1.007 378 N CA -0.255 52.626 53.050 -0.283 0.000 0.941 378 N CB 1.367 39.701 38.487 -0.254 0.000 1.115 378 N HN 0.712 nan 8.380 nan 0.000 0.492 379 D N 0.230 120.666 120.400 0.061 0.000 2.218 379 D HA -0.140 4.500 4.640 0.000 0.000 0.204 379 D C 1.489 177.827 176.300 0.064 0.000 0.976 379 D CA 1.084 55.188 54.000 0.174 0.000 0.853 379 D CB -0.004 40.873 40.800 0.128 0.000 0.939 379 D HN 0.559 nan 8.370 nan 0.000 0.481 380 S N 0.353 116.043 115.700 -0.016 0.000 2.440 380 S HA -0.137 4.333 4.470 0.000 0.000 0.238 380 S C 1.542 176.117 174.600 -0.043 0.000 1.010 380 S CA 0.711 58.893 58.200 -0.031 0.000 0.972 380 S CB -0.176 62.997 63.200 -0.046 0.000 0.774 380 S HN 0.154 nan 8.310 nan 0.000 0.501 381 N N 0.604 119.246 118.700 -0.096 0.000 2.467 381 N HA 0.083 4.823 4.740 0.000 0.000 0.184 381 N C 0.226 175.767 175.510 0.052 0.000 1.106 381 N CA 0.207 53.207 53.050 -0.084 0.000 0.892 381 N CB -0.450 37.891 38.487 -0.242 0.000 0.969 381 N HN 0.448 nan 8.380 nan 0.000 0.454 382 c N 4.600 123.277 118.600 0.128 0.000 2.657 382 c HA 0.158 4.728 4.570 0.000 0.000 0.404 382 c C -1.923 172.173 174.090 0.009 0.000 1.369 382 c CA -1.394 55.013 56.329 0.129 0.000 1.665 382 c CB -0.313 42.258 42.510 0.102 0.000 2.453 382 c HN 0.232 nan 8.230 nan 0.000 0.599 383 P HA 0.159 nan 4.420 nan 0.000 0.268 383 P C 0.218 177.474 177.300 -0.072 0.000 1.541 383 P CA 0.368 63.461 63.100 -0.011 0.000 1.093 383 P CB -0.160 31.576 31.700 0.059 0.000 1.551 384 I N 0.537 121.068 120.570 -0.066 0.000 4.081 384 I HA 0.100 4.270 4.170 0.000 0.000 0.333 384 I C 1.330 177.413 176.117 -0.056 0.000 1.413 384 I CA -0.237 61.014 61.300 -0.081 0.000 1.110 384 I CB -0.230 37.717 38.000 -0.088 0.000 1.082 384 I HN 0.003 nan 8.210 nan 0.000 0.402 385 T N -0.584 113.947 114.554 -0.038 0.000 2.788 385 T HA -0.080 4.270 4.350 0.000 0.000 0.268 385 T C 1.413 176.090 174.700 -0.038 0.000 1.044 385 T CA 1.216 63.295 62.100 -0.034 0.000 1.139 385 T CB -0.427 68.429 68.868 -0.021 0.000 0.867 385 T HN 0.471 nan 8.240 nan 0.000 0.454 386 K N 0.215 120.596 120.400 -0.031 0.000 2.493 386 K HA 0.339 4.659 4.320 0.000 0.000 0.207 386 K C -0.658 175.917 176.600 -0.042 0.000 1.033 386 K CA -0.391 55.877 56.287 -0.031 0.000 1.161 386 K CB 0.191 32.684 32.500 -0.011 0.000 0.873 386 K HN 0.313 nan 8.250 nan 0.000 0.491 387 c N 2.042 120.606 118.600 -0.061 0.000 3.002 387 c HA 0.111 4.681 4.570 0.000 0.000 0.248 387 c C 1.479 175.499 174.090 -0.117 0.000 1.153 387 c CA -0.958 55.331 56.329 -0.066 0.000 1.502 387 c CB 0.219 42.697 42.510 -0.052 0.000 1.805 387 c HN 0.596 nan 8.230 nan 0.000 0.450 388 Q N 0.165 119.829 119.800 -0.226 0.000 2.291 388 Q HA -0.167 4.173 4.340 0.000 0.000 0.206 388 Q C 0.509 176.295 176.000 -0.356 0.000 0.976 388 Q CA 1.875 57.470 55.803 -0.346 0.000 0.875 388 Q CB -0.164 28.264 28.738 -0.518 0.000 0.927 388 Q HN 0.771 nan 8.270 nan 0.000 0.450 389 Y N 0.765 121.051 120.300 -0.024 0.000 2.457 389 Y HA 0.323 4.873 4.550 -0.000 0.000 0.263 389 Y C 0.430 176.307 175.900 -0.038 0.000 1.164 389 Y CA -0.501 57.584 58.100 -0.024 0.000 1.274 389 Y CB 0.719 39.170 38.460 -0.016 0.000 1.097 389 Y HN -0.054 nan 8.280 nan 0.000 0.523 390 S N 1.618 117.343 115.700 0.042 0.000 2.439 390 S HA 0.190 4.660 4.470 0.000 0.000 0.282 390 S C 0.131 174.708 174.600 -0.037 0.000 1.170 390 S CA -0.736 57.448 58.200 -0.026 0.000 1.054 390 S CB 0.264 63.406 63.200 -0.098 0.000 0.956 390 S HN 0.164 nan 8.310 nan 0.000 0.490 391 K N 3.779 124.162 120.400 -0.029 0.000 2.326 391 K HA 0.142 4.462 4.320 0.000 0.000 0.275 391 K C -1.707 174.868 176.600 -0.042 0.000 1.018 391 K CA -1.783 54.490 56.287 -0.023 0.000 0.962 391 K CB 0.256 32.751 32.500 -0.009 0.000 0.953 391 K HN 0.233 nan 8.250 nan 0.000 0.475 392 P HA -0.243 nan 4.420 nan 0.000 0.219 392 P C 0.665 177.976 177.300 0.017 0.000 1.146 392 P CA 1.247 64.343 63.100 -0.006 0.000 0.808 392 P CB 0.084 31.790 31.700 0.009 0.000 0.779 393 E N -0.922 119.286 120.200 0.012 0.000 2.418 393 E HA -0.145 4.205 4.350 0.000 0.000 0.197 393 E C 1.243 177.835 176.600 -0.012 0.000 1.026 393 E CA 0.553 56.967 56.400 0.022 0.000 0.862 393 E CB -0.823 28.890 29.700 0.021 0.000 0.799 393 E HN 0.146 nan 8.360 nan 0.000 0.518 394 N N 1.012 119.677 118.700 -0.057 0.000 2.166 394 N HA -0.111 4.629 4.740 0.000 0.000 0.186 394 N C 1.555 176.997 175.510 -0.112 0.000 1.019 394 N CA 1.311 54.301 53.050 -0.101 0.000 0.856 394 N CB -0.588 37.790 38.487 -0.182 0.000 0.993 394 N HN 0.296 nan 8.380 nan 0.000 0.426 395 c N 0.263 118.784 118.600 -0.132 0.000 2.453 395 c HA -0.009 4.561 4.570 0.000 0.000 0.277 395 c C 2.712 176.739 174.090 -0.104 0.000 1.262 395 c CA 0.315 56.622 56.329 -0.036 0.000 1.718 395 c CB -0.845 41.685 42.510 0.033 0.000 2.031 395 c HN 0.491 nan 8.230 nan 0.000 0.480 396 R N 0.718 121.079 120.500 -0.233 0.000 2.066 396 R HA -0.063 4.277 4.340 0.000 0.000 0.232 396 R C 2.060 178.342 176.300 -0.030 0.000 1.131 396 R CA 1.449 57.446 56.100 -0.172 0.000 0.955 396 R CB -0.334 29.926 30.300 -0.066 0.000 0.851 396 R HN 0.482 nan 8.270 nan 0.000 0.432 397 L N 0.764 121.980 121.223 -0.010 0.000 2.093 397 L HA -0.095 4.245 4.340 0.000 0.000 0.208 397 L C 2.251 179.128 176.870 0.011 0.000 1.085 397 L CA 1.465 56.307 54.840 0.004 0.000 0.755 397 L CB -0.346 41.720 42.059 0.012 0.000 0.904 397 L HN 0.340 nan 8.230 nan 0.000 0.435 398 S N -1.519 114.214 115.700 0.054 0.000 2.650 398 S HA 0.036 4.506 4.470 0.000 0.000 0.219 398 S C 1.620 176.268 174.600 0.080 0.000 0.960 398 S CA 0.027 58.299 58.200 0.120 0.000 0.925 398 S CB -0.005 63.362 63.200 0.278 0.000 0.775 398 S HN 0.231 nan 8.310 nan 0.000 0.525 399 M N 1.717 121.301 119.600 -0.028 0.000 2.618 399 M HA 0.282 4.762 4.480 0.000 0.000 0.240 399 M C 1.037 177.228 176.300 -0.181 0.000 1.123 399 M CA 0.127 55.345 55.300 -0.136 0.000 1.060 399 M CB -0.799 31.587 32.600 -0.356 0.000 1.535 399 M HN 0.525 nan 8.290 nan 0.000 0.507 400 G N -0.142 108.572 108.800 -0.143 0.000 2.537 400 G HA2 0.537 4.497 3.960 0.000 0.000 0.308 400 G HA3 0.537 4.497 3.960 0.000 0.000 0.308 400 G C 0.757 175.519 174.900 -0.229 0.000 1.237 400 G CA -0.708 44.285 45.100 -0.178 0.000 0.968 400 G HN 0.339 nan 8.290 nan 0.000 0.481 401 I N -2.419 117.896 120.570 -0.424 0.000 2.614 401 I HA 0.233 4.403 4.170 0.000 0.000 0.258 401 I C 0.754 176.730 176.117 -0.234 0.000 1.189 401 I CA 0.580 61.459 61.300 -0.701 0.000 1.462 401 I CB -0.080 37.133 38.000 -1.312 0.000 1.092 401 I HN 0.114 nan 8.210 nan 0.000 0.442 402 R N 0.650 121.069 120.500 -0.134 0.000 2.795 402 R HA 0.384 4.724 4.340 0.000 0.000 0.275 402 R C -1.950 174.334 176.300 -0.025 0.000 0.981 402 R CA -1.684 54.396 56.100 -0.033 0.000 0.917 402 R CB 1.580 31.870 30.300 -0.017 0.000 1.202 402 R HN -0.176 nan 8.270 nan 0.000 0.469 403 P HA -0.064 nan 4.420 nan 0.000 0.223 403 P C -0.194 177.104 177.300 -0.004 0.000 1.151 403 P CA 1.213 64.315 63.100 0.002 0.000 0.787 403 P CB 0.273 31.983 31.700 0.017 0.000 0.788 404 N N -0.569 118.129 118.700 -0.002 0.000 2.279 404 N HA 0.022 4.762 4.740 0.000 0.000 0.226 404 N C 0.030 175.536 175.510 -0.006 0.000 1.126 404 N CA -0.112 52.937 53.050 -0.002 0.000 0.846 404 N CB -0.305 38.186 38.487 0.006 0.000 1.050 404 N HN 0.120 nan 8.380 nan 0.000 0.502 405 S N -0.785 114.904 115.700 -0.018 0.000 2.563 405 S HA -0.071 4.399 4.470 0.000 0.000 0.284 405 S C 1.225 175.816 174.600 -0.014 0.000 1.331 405 S CA -0.228 57.966 58.200 -0.010 0.000 1.047 405 S CB 0.955 64.135 63.200 -0.033 0.000 0.859 405 S HN 0.423 nan 8.310 nan 0.000 0.514 406 H N 2.047 121.036 119.070 -0.135 0.000 2.387 406 H HA 0.092 4.648 4.556 -0.000 0.000 0.299 406 H C -0.477 174.656 175.328 -0.324 0.000 1.090 406 H CA 1.626 57.501 56.048 -0.289 0.000 1.332 406 H CB -0.028 29.454 29.762 -0.466 0.000 1.386 406 H HN 0.694 nan 8.280 nan 0.000 0.516 407 Y N -0.528 119.768 120.300 -0.006 0.000 2.509 407 Y HA 0.304 4.854 4.550 0.001 0.000 0.341 407 Y C -0.027 175.805 175.900 -0.113 0.000 1.038 407 Y CA -1.617 56.457 58.100 -0.043 0.000 1.089 407 Y CB 1.080 39.625 38.460 0.143 0.000 1.241 407 Y HN 0.045 nan 8.280 nan 0.000 0.468 408 I N 0.208 120.779 120.570 0.002 0.000 2.664 408 I HA 0.622 4.792 4.170 0.000 0.000 0.308 408 I C -1.253 174.767 176.117 -0.162 0.000 0.984 408 I CA -0.917 60.270 61.300 -0.189 0.000 1.213 408 I CB 0.961 38.645 38.000 -0.528 0.000 1.379 408 I HN 0.388 nan 8.210 nan 0.000 0.501 409 L N 3.834 124.923 121.223 -0.223 0.000 2.313 409 L HA 0.667 5.007 4.340 0.000 0.000 0.283 409 L C -0.307 176.501 176.870 -0.104 0.000 1.013 409 L CA -0.697 53.994 54.840 -0.249 0.000 0.816 409 L CB 1.491 43.374 42.059 -0.293 0.000 1.236 409 L HN 0.641 nan 8.230 nan 0.000 0.419 410 R N 1.869 122.357 120.500 -0.021 0.000 2.409 410 R HA 0.431 4.771 4.340 0.000 0.000 0.313 410 R C -0.639 175.768 176.300 0.178 0.000 0.953 410 R CA -0.169 56.008 56.100 0.129 0.000 0.849 410 R CB 1.645 32.130 30.300 0.308 0.000 1.171 410 R HN 0.615 nan 8.270 nan 0.000 0.458 411 S N 1.407 117.227 115.700 0.201 0.000 2.596 411 S HA 0.754 5.224 4.470 0.000 0.000 0.260 411 S C 0.192 174.941 174.600 0.249 0.000 1.336 411 S CA 0.607 58.973 58.200 0.276 0.000 0.993 411 S CB 1.198 64.579 63.200 0.302 0.000 0.923 411 S HN 0.852 nan 8.310 nan 0.000 0.567 412 G N -0.221 108.738 108.800 0.265 0.000 2.392 412 G HA2 0.408 4.368 3.960 0.000 0.000 0.260 412 G HA3 0.408 4.368 3.960 0.000 0.000 0.260 412 G C -2.170 172.825 174.900 0.158 0.000 1.226 412 G CA -0.830 44.268 45.100 -0.003 0.000 0.913 412 G HN 0.610 nan 8.290 nan 0.000 0.483 413 L N -0.032 121.189 121.223 -0.004 0.000 2.371 413 L HA 0.682 5.022 4.340 0.000 0.000 0.262 413 L C -0.788 176.235 176.870 0.256 0.000 1.006 413 L CA -0.807 54.167 54.840 0.224 0.000 0.818 413 L CB 2.419 44.627 42.059 0.247 0.000 1.354 413 L HN 0.358 nan 8.230 nan 0.000 0.415 414 L N 2.729 124.191 121.223 0.398 0.000 2.280 414 L HA 0.444 4.784 4.340 0.000 0.000 0.287 414 L C -0.151 176.931 176.870 0.354 0.000 1.023 414 L CA -0.332 54.736 54.840 0.380 0.000 0.819 414 L CB 1.561 43.832 42.059 0.354 0.000 1.212 414 L HN 0.498 nan 8.230 nan 0.000 0.420 415 K N 3.351 123.882 120.400 0.219 0.000 2.172 415 K HA 0.270 4.590 4.320 0.000 0.000 0.276 415 K C -1.711 174.944 176.600 0.091 0.000 1.013 415 K CA -0.412 55.871 56.287 -0.006 0.000 0.913 415 K CB 1.021 33.506 32.500 -0.026 0.000 1.055 415 K HN 0.450 nan 8.250 nan 0.000 0.461 416 Y N 4.195 124.399 120.300 -0.160 0.000 2.373 416 Y HA 0.232 4.782 4.550 -0.000 0.000 0.327 416 Y C -1.214 174.580 175.900 -0.177 0.000 1.036 416 Y CA -1.072 56.981 58.100 -0.079 0.000 1.265 416 Y CB 0.938 39.444 38.460 0.077 0.000 1.108 416 Y HN 0.623 nan 8.280 nan 0.000 0.471 417 N N 6.091 124.538 118.700 -0.422 0.000 2.439 417 N HA 0.202 4.942 4.740 0.000 0.000 0.249 417 N C 0.411 175.665 175.510 -0.426 0.000 1.003 417 N CA -0.041 52.804 53.050 -0.341 0.000 0.942 417 N CB 0.987 39.340 38.487 -0.222 0.000 1.115 417 N HN 0.940 nan 8.380 nan 0.000 0.505 418 L N 1.700 122.724 121.223 -0.331 0.000 2.275 418 L HA -0.061 4.279 4.340 0.000 0.000 0.215 418 L C 1.552 178.313 176.870 -0.180 0.000 1.119 418 L CA 0.745 55.423 54.840 -0.271 0.000 0.790 418 L CB -0.085 41.870 42.059 -0.174 0.000 0.919 418 L HN 0.450 nan 8.230 nan 0.000 0.443 419 S N -1.482 114.129 115.700 -0.148 0.000 2.603 419 S HA -0.054 4.416 4.470 0.000 0.000 0.220 419 S C 0.639 175.177 174.600 -0.105 0.000 0.967 419 S CA 0.072 58.212 58.200 -0.100 0.000 0.920 419 S CB -0.270 62.888 63.200 -0.071 0.000 0.773 419 S HN 0.280 nan 8.310 nan 0.000 0.529 420 D N 2.143 122.453 120.400 -0.151 0.000 2.558 420 D HA 0.434 5.074 4.640 0.000 0.000 0.221 420 D C 0.917 177.149 176.300 -0.113 0.000 1.143 420 D CA 0.571 54.492 54.000 -0.131 0.000 1.010 420 D CB -0.698 40.001 40.800 -0.168 0.000 1.068 420 D HN 0.314 nan 8.370 nan 0.000 0.511 421 G N 2.927 111.680 108.800 -0.077 0.000 2.752 421 G HA2 -0.290 3.670 3.960 0.000 0.000 0.234 421 G HA3 -0.290 3.670 3.960 0.000 0.000 0.234 421 G C 0.835 175.702 174.900 -0.055 0.000 1.367 421 G CA 0.166 45.233 45.100 -0.055 0.000 0.879 421 G HN 0.495 nan 8.290 nan 0.000 0.563 422 E N -0.794 119.386 120.200 -0.034 0.000 2.230 422 E HA -0.000 4.350 4.350 0.000 0.000 0.192 422 E C 0.519 177.113 176.600 -0.011 0.000 0.987 422 E CA 0.918 57.305 56.400 -0.022 0.000 0.841 422 E CB 0.065 29.759 29.700 -0.010 0.000 0.783 422 E HN 0.366 nan 8.360 nan 0.000 0.481 423 N N 2.428 121.121 118.700 -0.012 0.000 2.746 423 N HA 0.281 5.021 4.740 0.000 0.000 0.250 423 N C -2.771 172.727 175.510 -0.021 0.000 1.146 423 N CA -1.503 51.554 53.050 0.011 0.000 0.828 423 N CB 1.708 40.212 38.487 0.029 0.000 1.158 423 N HN 0.048 nan 8.380 nan 0.000 0.519 424 P HA -0.008 nan 4.420 nan 0.000 0.268 424 P C 0.208 177.457 177.300 -0.086 0.000 1.205 424 P CA 0.051 63.011 63.100 -0.233 0.000 0.771 424 P CB 0.767 32.054 31.700 -0.688 0.000 0.858 425 K N 1.637 122.002 120.400 -0.059 0.000 2.138 425 K HA 0.456 4.776 4.320 0.000 0.000 0.251 425 K C -0.650 176.016 176.600 0.110 0.000 1.015 425 K CA -0.828 55.484 56.287 0.042 0.000 0.917 425 K CB 0.657 33.174 32.500 0.027 0.000 1.021 425 K HN 0.173 nan 8.250 nan 0.000 0.485 426 V N 2.095 122.113 119.914 0.173 0.000 2.483 426 V HA 0.380 4.500 4.120 0.000 0.000 0.295 426 V C -1.187 175.005 176.094 0.163 0.000 1.035 426 V CA -0.680 61.749 62.300 0.215 0.000 0.896 426 V CB 1.594 33.539 31.823 0.204 0.000 0.986 426 V HN 0.620 nan 8.190 nan 0.000 0.447 427 V N 7.297 127.315 119.914 0.173 0.000 2.483 427 V HA 0.408 4.528 4.120 0.000 0.000 0.297 427 V C -0.454 175.779 176.094 0.232 0.000 1.027 427 V CA -0.687 61.716 62.300 0.171 0.000 0.855 427 V CB 1.484 33.375 31.823 0.114 0.000 0.995 427 V HN 0.781 nan 8.190 nan 0.000 0.424 428 F N 6.076 126.079 119.950 0.088 0.000 2.427 428 F HA 0.637 5.164 4.527 -0.000 0.000 0.352 428 F C -0.116 175.723 175.800 0.064 0.000 1.100 428 F CA -0.660 57.377 58.000 0.063 0.000 1.191 428 F CB 0.667 39.666 39.000 -0.002 0.000 1.128 428 F HN 0.346 nan 8.300 nan 0.000 0.533 429 I N 6.241 126.399 120.570 -0.686 0.000 2.410 429 I HA 0.204 4.374 4.170 0.000 0.000 0.286 429 I C -0.571 174.973 176.117 -0.955 0.000 1.009 429 I CA -0.699 60.268 61.300 -0.555 0.000 1.111 429 I CB 1.551 39.425 38.000 -0.210 0.000 1.262 429 I HN 0.592 nan 8.210 nan 0.000 0.443 430 E N 6.949 126.728 120.200 -0.703 0.000 2.366 430 E HA 0.366 4.716 4.350 0.000 0.000 0.266 430 E C -0.435 176.035 176.600 -0.216 0.000 1.051 430 E CA -0.644 55.486 56.400 -0.451 0.000 0.884 430 E CB 2.211 31.904 29.700 -0.011 0.000 1.006 430 E HN 0.521 nan 8.360 nan 0.000 0.417 431 I N 2.426 122.924 120.570 -0.121 0.000 2.696 431 I HA -0.034 4.136 4.170 0.000 0.000 0.284 431 I C 0.553 176.678 176.117 0.013 0.000 1.129 431 I CA -0.034 61.208 61.300 -0.095 0.000 1.410 431 I CB 0.871 38.843 38.000 -0.045 0.000 1.399 431 I HN 0.818 nan 8.210 nan 0.000 0.579 432 S N 3.815 119.515 115.700 0.000 0.000 2.596 432 S HA 0.019 4.489 4.470 0.000 0.000 0.260 432 S C 0.519 175.205 174.600 0.143 0.000 1.336 432 S CA -0.089 58.146 58.200 0.059 0.000 0.993 432 S CB 0.879 64.091 63.200 0.020 0.000 0.923 432 S HN 0.718 nan 8.310 nan 0.000 0.567 433 D N -0.714 119.773 120.400 0.144 0.000 2.319 433 D HA 0.012 4.652 4.640 0.000 0.000 0.230 433 D C -0.148 176.261 176.300 0.181 0.000 1.094 433 D CA -0.114 53.997 54.000 0.184 0.000 0.856 433 D CB -0.299 40.602 40.800 0.169 0.000 0.915 433 D HN 0.413 nan 8.370 nan 0.000 0.517 434 Q N 1.369 121.286 119.800 0.195 0.000 2.293 434 Q HA 0.135 4.475 4.340 0.000 0.000 0.263 434 Q C 0.284 176.434 176.000 0.251 0.000 1.002 434 Q CA -0.051 55.884 55.803 0.220 0.000 0.910 434 Q CB 0.914 29.793 28.738 0.235 0.000 1.185 434 Q HN 0.321 nan 8.270 nan 0.000 0.401 435 R N 1.121 121.684 120.500 0.104 0.000 3.205 435 R HA -0.222 4.118 4.340 0.000 0.000 0.249 435 R C -0.809 175.398 176.300 -0.156 0.000 0.937 435 R CA -0.090 55.949 56.100 -0.102 0.000 0.641 435 R CB -1.103 28.955 30.300 -0.405 0.000 1.114 435 R HN 0.527 nan 8.270 nan 0.000 0.451 436 L N 1.406 122.659 121.223 0.050 0.000 2.367 436 L HA 0.345 4.685 4.340 0.000 0.000 0.275 436 L C 0.202 177.070 176.870 -0.004 0.000 1.129 436 L CA 1.013 55.906 54.840 0.089 0.000 0.839 436 L CB 1.452 43.665 42.059 0.258 0.000 1.133 436 L HN 0.408 nan 8.230 nan 0.000 0.453 437 S N 4.470 120.117 115.700 -0.090 0.000 2.651 437 S HA 0.516 4.986 4.470 0.000 0.000 0.279 437 S C -0.149 174.422 174.600 -0.048 0.000 1.148 437 S CA -1.006 57.105 58.200 -0.149 0.000 0.837 437 S CB 0.536 63.490 63.200 -0.411 0.000 1.138 437 S HN 0.772 nan 8.310 nan 0.000 0.478 438 I N 1.992 122.552 120.570 -0.016 0.000 2.845 438 I HA 0.255 4.425 4.170 0.000 0.000 0.296 438 I C 1.129 177.281 176.117 0.058 0.000 1.216 438 I CA 0.454 61.774 61.300 0.034 0.000 1.438 438 I CB -0.058 38.009 38.000 0.111 0.000 1.342 438 I HN 0.990 nan 8.210 nan 0.000 0.577 439 G N 5.925 114.758 108.800 0.054 0.000 2.178 439 G HA2 0.266 4.226 3.960 0.000 0.000 0.244 439 G HA3 0.266 4.226 3.960 0.000 0.000 0.244 439 G C -0.354 174.676 174.900 0.217 0.000 1.213 439 G CA 0.314 45.483 45.100 0.113 0.000 0.912 439 G HN 0.869 nan 8.290 nan 0.000 0.474 440 S N 2.445 118.187 115.700 0.071 0.000 2.607 440 S HA 0.721 5.191 4.470 0.000 0.000 0.273 440 S C -3.260 170.890 174.600 -0.749 0.000 1.148 440 S CA -1.663 56.319 58.200 -0.362 0.000 0.833 440 S CB 2.442 65.287 63.200 -0.592 0.000 1.130 440 S HN 0.328 nan 8.310 nan 0.000 0.470 441 P HA 0.333 nan 4.420 nan 0.000 0.261 441 P C -0.650 176.561 177.300 -0.148 0.000 1.183 441 P CA 0.419 63.059 63.100 -0.767 0.000 0.761 441 P CB 0.468 31.831 31.700 -0.562 0.000 0.785 442 S N 2.178 117.877 115.700 -0.002 0.000 2.732 442 S HA 0.734 5.204 4.470 0.000 0.000 0.293 442 S C -0.802 173.859 174.600 0.101 0.000 1.159 442 S CA -0.733 57.483 58.200 0.027 0.000 0.847 442 S CB 2.006 65.180 63.200 -0.042 0.000 1.169 442 S HN 0.399 nan 8.310 nan 0.000 0.501 443 K N 0.967 121.295 120.400 -0.121 0.000 2.561 443 K HA 0.566 4.886 4.320 0.000 0.000 0.254 443 K C -2.119 174.420 176.600 -0.102 0.000 0.942 443 K CA -0.447 55.887 56.287 0.079 0.000 0.818 443 K CB 1.571 34.288 32.500 0.361 0.000 1.306 443 K HN 0.664 nan 8.250 nan 0.000 0.435 444 I N 5.444 126.080 120.570 0.109 0.000 2.406 444 I HA 0.527 4.697 4.170 0.000 0.000 0.290 444 I C -1.652 174.617 176.117 0.253 0.000 0.999 444 I CA -0.719 60.676 61.300 0.158 0.000 1.124 444 I CB 0.909 39.075 38.000 0.277 0.000 1.289 444 I HN 0.744 nan 8.210 nan 0.000 0.441 445 Y N 4.359 124.717 120.300 0.096 0.000 2.562 445 Y HA 0.592 5.142 4.550 -0.000 0.000 0.345 445 Y C -1.484 174.434 175.900 0.031 0.000 1.045 445 Y CA -1.368 56.787 58.100 0.092 0.000 1.028 445 Y CB 0.815 39.336 38.460 0.101 0.000 1.297 445 Y HN 0.329 nan 8.280 nan 0.000 0.463 446 D N 1.821 122.367 120.400 0.245 0.000 2.277 446 D HA 0.367 5.007 4.640 0.000 0.000 0.249 446 D C -0.951 175.487 176.300 0.230 0.000 1.134 446 D CA 0.107 54.198 54.000 0.150 0.000 0.863 446 D CB 1.872 42.776 40.800 0.173 0.000 1.143 446 D HN 0.533 nan 8.370 nan 0.000 0.458 447 S N 2.177 117.919 115.700 0.071 0.000 2.619 447 S HA 0.329 4.799 4.470 0.000 0.000 0.280 447 S C 0.072 174.693 174.600 0.035 0.000 1.150 447 S CA -0.672 57.590 58.200 0.104 0.000 0.978 447 S CB 0.249 63.432 63.200 -0.028 0.000 1.041 447 S HN 0.506 nan 8.310 nan 0.000 0.485 448 L N 3.919 125.189 121.223 0.078 0.000 3.660 448 L HA -0.263 4.077 4.340 0.000 0.000 0.440 448 L C 1.256 178.138 176.870 0.021 0.000 1.262 448 L CA 0.652 55.514 54.840 0.038 0.000 0.837 448 L CB -1.925 40.131 42.059 -0.005 0.000 1.689 448 L HN 1.237 nan 8.230 nan 0.000 0.890 449 G N -1.533 107.289 108.800 0.037 0.000 2.175 449 G HA2 -0.245 3.715 3.960 0.000 0.000 0.244 449 G HA3 -0.245 3.715 3.960 0.000 0.000 0.244 449 G C 0.095 175.000 174.900 0.008 0.000 0.982 449 G CA 0.517 45.634 45.100 0.027 0.000 0.641 449 G HN 0.547 nan 8.290 nan 0.000 0.527 450 Q N 0.241 120.034 119.800 -0.011 0.000 2.389 450 Q HA 0.528 4.868 4.340 0.000 0.000 0.277 450 Q C -2.899 173.057 176.000 -0.074 0.000 1.082 450 Q CA -2.167 53.614 55.803 -0.037 0.000 0.810 450 Q CB 3.224 31.939 28.738 -0.038 0.000 1.374 450 Q HN 0.197 nan 8.270 nan 0.000 0.422 451 P HA 0.178 nan 4.420 nan 0.000 0.275 451 P C -0.913 176.256 177.300 -0.218 0.000 1.228 451 P CA -0.210 62.806 63.100 -0.139 0.000 0.786 451 P CB 0.944 32.583 31.700 -0.102 0.000 0.927 452 V N 3.213 122.879 119.914 -0.415 0.000 2.735 452 V HA 0.467 4.587 4.120 0.000 0.000 0.310 452 V C -0.592 175.293 176.094 -0.349 0.000 1.061 452 V CA -0.564 61.448 62.300 -0.479 0.000 0.913 452 V CB 1.919 33.211 31.823 -0.884 0.000 1.005 452 V HN 0.442 nan 8.190 nan 0.000 0.428 453 F N 4.035 123.864 119.950 -0.202 0.000 2.507 453 F HA 0.692 5.219 4.527 0.000 0.000 0.325 453 F C -1.025 174.944 175.800 0.283 0.000 1.116 453 F CA -0.729 57.269 58.000 -0.003 0.000 0.930 453 F CB 1.547 40.469 39.000 -0.130 0.000 1.146 453 F HN 0.567 nan 8.300 nan 0.000 0.447 454 Y N 5.708 125.937 120.300 -0.119 0.000 2.393 454 Y HA 0.475 5.025 4.550 0.000 0.000 0.341 454 Y C -1.251 174.598 175.900 -0.085 0.000 0.988 454 Y CA -0.628 57.554 58.100 0.137 0.000 1.078 454 Y CB 1.357 39.911 38.460 0.158 0.000 1.203 454 Y HN 0.669 nan 8.280 nan 0.000 0.453 455 Q N 5.220 124.661 119.800 -0.597 0.000 2.321 455 Q HA 0.737 5.077 4.340 0.000 0.000 0.270 455 Q C -1.219 174.192 176.000 -0.983 0.000 1.032 455 Q CA -1.018 54.472 55.803 -0.522 0.000 0.784 455 Q CB 1.728 30.510 28.738 0.073 0.000 1.264 455 Q HN 0.990 nan 8.270 nan 0.000 0.448 456 A N 2.681 125.042 122.820 -0.766 0.000 2.498 456 A HA 0.238 4.558 4.320 0.000 0.000 0.239 456 A C -0.189 177.177 177.584 -0.363 0.000 1.068 456 A CA -0.010 51.712 52.037 -0.524 0.000 0.766 456 A CB 0.402 19.121 19.000 -0.468 0.000 1.003 456 A HN 0.722 nan 8.150 nan 0.000 0.497 457 S N 1.933 117.546 115.700 -0.144 0.000 2.642 457 S HA 0.333 4.803 4.470 0.000 0.000 0.309 457 S C -0.418 174.301 174.600 0.198 0.000 1.125 457 S CA -0.151 58.005 58.200 -0.073 0.000 1.055 457 S CB -0.453 62.671 63.200 -0.128 0.000 1.157 457 S HN 0.517 nan 8.310 nan 0.000 0.513 458 F N 2.196 122.081 119.950 -0.110 0.000 2.639 458 F HA 0.241 4.768 4.527 -0.000 0.000 0.300 458 F C 1.586 177.394 175.800 0.012 0.000 1.109 458 F CA -0.756 57.204 58.000 -0.068 0.000 1.335 458 F CB -0.687 38.330 39.000 0.028 0.000 1.014 458 F HN 0.542 nan 8.300 nan 0.000 0.537 459 S N -1.382 114.375 115.700 0.095 0.000 4.294 459 S HA 0.164 4.634 4.470 0.000 0.000 0.254 459 S C 0.961 175.557 174.600 -0.006 0.000 1.087 459 S CA -0.276 57.970 58.200 0.076 0.000 1.452 459 S CB 0.017 63.282 63.200 0.110 0.000 1.502 459 S HN 0.289 nan 8.310 nan 0.000 0.698 460 W N 1.373 122.700 121.300 0.045 0.000 2.658 460 W HA 0.286 4.946 4.660 0.000 0.000 0.263 460 W C -0.037 176.486 176.519 0.007 0.000 1.274 460 W CA 0.844 58.204 57.345 0.025 0.000 1.343 460 W CB -0.777 28.702 29.460 0.032 0.000 1.106 460 W HN 0.491 nan 8.180 nan 0.000 0.615 461 D N 2.863 122.816 120.400 -0.744 0.000 2.483 461 D HA 0.028 4.668 4.640 0.000 0.000 0.220 461 D C 1.357 177.467 176.300 -0.317 0.000 1.173 461 D CA 0.547 54.166 54.000 -0.635 0.000 0.964 461 D CB 0.661 40.794 40.800 -1.112 0.000 1.046 461 D HN 0.070 nan 8.370 nan 0.000 0.517 462 T N -0.007 114.464 114.554 -0.137 0.000 3.081 462 T HA 0.116 4.466 4.350 0.000 0.000 0.250 462 T C 1.075 175.692 174.700 -0.138 0.000 1.100 462 T CA -0.384 61.642 62.100 -0.124 0.000 1.038 462 T CB -0.047 68.768 68.868 -0.088 0.000 0.962 462 T HN 0.102 nan 8.240 nan 0.000 0.516 463 M N 1.636 121.174 119.600 -0.104 0.000 2.242 463 M HA 0.406 4.886 4.480 0.000 0.000 0.344 463 M C 0.477 176.710 176.300 -0.112 0.000 1.140 463 M CA -1.963 53.285 55.300 -0.087 0.000 1.160 463 M CB 0.410 33.001 32.600 -0.016 0.000 1.491 463 M HN 0.232 nan 8.290 nan 0.000 0.459 464 I N 2.987 123.493 120.570 -0.108 0.000 2.775 464 I HA -0.114 4.056 4.170 0.000 0.000 0.290 464 I C 0.089 176.255 176.117 0.082 0.000 1.203 464 I CA 0.692 61.957 61.300 -0.058 0.000 1.433 464 I CB 0.204 38.115 38.000 -0.149 0.000 1.354 464 I HN 0.536 nan 8.210 nan 0.000 0.579 465 K N 9.366 129.792 120.400 0.044 0.000 2.404 465 K HA 0.419 4.739 4.320 0.000 0.000 0.257 465 K C -1.116 175.851 176.600 0.611 0.000 1.026 465 K CA -0.316 56.032 56.287 0.102 0.000 0.951 465 K CB 0.925 33.172 32.500 -0.421 0.000 1.203 465 K HN 0.538 nan 8.250 nan 0.000 0.446 466 F N -1.366 118.926 119.950 0.569 0.000 2.713 466 F HA 0.802 5.329 4.527 -0.000 0.000 0.311 466 F C -0.563 175.468 175.800 0.385 0.000 1.141 466 F CA -1.020 57.322 58.000 0.571 0.000 0.939 466 F CB 1.739 41.089 39.000 0.583 0.000 1.325 466 F HN 0.497 nan 8.300 nan 0.000 0.453 467 G N 0.586 109.390 108.800 0.006 0.000 2.316 467 G HA2 0.292 4.252 3.960 0.000 0.000 0.296 467 G HA3 0.292 4.252 3.960 0.000 0.000 0.296 467 G C -2.453 172.372 174.900 -0.125 0.000 1.399 467 G CA -1.051 43.882 45.100 -0.279 0.000 0.833 467 G HN 0.710 nan 8.290 nan 0.000 0.565 468 D N 0.067 120.423 120.400 -0.074 0.000 2.455 468 D HA 0.271 4.911 4.640 0.000 0.000 0.241 468 D C 0.866 177.056 176.300 -0.183 0.000 1.138 468 D CA 0.236 54.206 54.000 -0.051 0.000 0.877 468 D CB 1.724 42.533 40.800 0.016 0.000 1.187 468 D HN 0.200 nan 8.370 nan 0.000 0.451 469 V N 4.041 123.851 119.914 -0.173 0.000 2.521 469 V HA -0.021 4.099 4.120 0.000 0.000 0.286 469 V C 1.686 177.669 176.094 -0.185 0.000 1.034 469 V CA -0.028 62.142 62.300 -0.217 0.000 1.045 469 V CB 0.801 32.513 31.823 -0.185 0.000 0.974 469 V HN 0.448 nan 8.190 nan 0.000 0.480 470 L N 3.711 124.810 121.223 -0.206 0.000 2.049 470 L HA 0.087 4.427 4.340 0.000 0.000 0.203 470 L C 1.113 177.898 176.870 -0.141 0.000 1.074 470 L CA 1.188 55.934 54.840 -0.157 0.000 0.749 470 L CB -0.169 41.797 42.059 -0.155 0.000 0.907 470 L HN 0.873 nan 8.230 nan 0.000 0.439 471 T N -5.035 109.421 114.554 -0.164 0.000 2.909 471 T HA 0.427 4.777 4.350 0.000 0.000 0.299 471 T C 0.451 175.032 174.700 -0.199 0.000 1.073 471 T CA -0.709 61.298 62.100 -0.154 0.000 0.999 471 T CB 2.291 71.085 68.868 -0.123 0.000 1.098 471 T HN -0.247 nan 8.240 nan 0.000 0.477 472 V N 0.870 120.653 119.914 -0.219 0.000 2.535 472 V HA 0.201 4.321 4.120 0.000 0.000 0.246 472 V C 0.824 176.772 176.094 -0.244 0.000 1.045 472 V CA 0.985 63.103 62.300 -0.302 0.000 1.058 472 V CB -0.553 30.978 31.823 -0.486 0.000 0.689 472 V HN 0.957 nan 8.190 nan 0.000 0.461 473 N N 0.917 119.519 118.700 -0.163 0.000 2.581 473 N HA 0.350 5.090 4.740 0.000 0.000 0.279 473 N C -2.805 172.666 175.510 -0.066 0.000 1.124 473 N CA -1.323 51.675 53.050 -0.086 0.000 0.833 473 N CB 1.568 40.051 38.487 -0.006 0.000 1.338 473 N HN 0.129 nan 8.380 nan 0.000 0.533 474 P HA 0.194 nan 4.420 nan 0.000 0.274 474 P C -0.491 176.727 177.300 -0.137 0.000 1.231 474 P CA -0.647 62.400 63.100 -0.088 0.000 0.790 474 P CB 0.857 32.521 31.700 -0.060 0.000 0.951 475 L N 3.411 124.528 121.223 -0.176 0.000 2.385 475 L HA 0.226 4.566 4.340 0.000 0.000 0.281 475 L C -0.791 175.927 176.870 -0.255 0.000 1.106 475 L CA 0.034 54.722 54.840 -0.254 0.000 0.856 475 L CB -0.021 41.843 42.059 -0.325 0.000 1.186 475 L HN 0.091 nan 8.230 nan 0.000 0.453 476 V N 5.943 125.695 119.914 -0.270 0.000 2.483 476 V HA 0.495 4.615 4.120 0.000 0.000 0.297 476 V C -0.440 175.424 176.094 -0.383 0.000 1.027 476 V CA -0.745 61.396 62.300 -0.265 0.000 0.855 476 V CB 1.890 33.608 31.823 -0.175 0.000 0.995 476 V HN 0.436 nan 8.190 nan 0.000 0.424 477 V N 3.325 122.897 119.914 -0.569 0.000 2.417 477 V HA 0.413 4.533 4.120 0.000 0.000 0.291 477 V C 0.255 175.883 176.094 -0.777 0.000 1.024 477 V CA -0.716 61.091 62.300 -0.822 0.000 0.861 477 V CB 1.911 32.840 31.823 -1.489 0.000 0.985 477 V HN 0.843 nan 8.190 nan 0.000 0.436 478 N N 4.518 122.916 118.700 -0.504 0.000 2.895 478 N HA 0.113 4.853 4.740 0.000 0.000 0.277 478 N C -0.407 174.914 175.510 -0.314 0.000 1.185 478 N CA -0.401 52.446 53.050 -0.339 0.000 1.106 478 N CB -0.070 38.268 38.487 -0.249 0.000 1.422 478 N HN 0.615 nan 8.380 nan 0.000 0.521 479 W N 2.759 123.984 121.300 -0.125 0.000 2.257 479 W HA 0.086 4.746 4.660 0.000 0.000 0.337 479 W C 1.087 177.488 176.519 -0.197 0.000 1.321 479 W CA -0.657 56.620 57.345 -0.114 0.000 1.267 479 W CB 0.437 29.872 29.460 -0.041 0.000 1.187 479 W HN 0.007 nan 8.180 nan 0.000 0.565 480 R N 2.758 123.243 120.500 -0.024 0.000 2.643 480 R HA 0.019 4.359 4.340 0.000 0.000 0.270 480 R C -0.011 176.302 176.300 0.021 0.000 1.061 480 R CA -0.236 55.761 56.100 -0.171 0.000 1.107 480 R CB 0.053 30.188 30.300 -0.274 0.000 0.999 480 R HN 0.448 nan 8.270 nan 0.000 0.460 481 N N 2.569 121.258 118.700 -0.017 0.000 3.083 481 N HA -0.000 4.740 4.740 0.000 0.000 0.260 481 N C -0.423 175.119 175.510 0.054 0.000 1.163 481 N CA -0.046 53.020 53.050 0.027 0.000 1.060 481 N CB 0.325 38.817 38.487 0.008 0.000 1.345 481 N HN 0.354 nan 8.380 nan 0.000 0.515 482 N N 0.810 119.571 118.700 0.103 0.000 2.434 482 N HA 0.097 4.837 4.740 0.000 0.000 0.272 482 N C 0.583 176.143 175.510 0.083 0.000 1.040 482 N CA 0.030 53.164 53.050 0.139 0.000 0.956 482 N CB 1.061 39.699 38.487 0.251 0.000 1.108 482 N HN 0.251 nan 8.380 nan 0.000 0.481 483 T N -0.486 114.109 114.554 0.069 0.000 3.085 483 T HA 0.120 4.470 4.350 0.000 0.000 0.264 483 T C 1.260 175.983 174.700 0.037 0.000 1.019 483 T CA 0.089 62.216 62.100 0.046 0.000 0.910 483 T CB -0.338 68.546 68.868 0.027 0.000 1.059 483 T HN 0.295 nan 8.240 nan 0.000 0.542 484 V N -2.519 117.411 119.914 0.027 0.000 3.497 484 V HA 0.551 4.671 4.120 0.000 0.000 0.272 484 V C -0.022 176.034 176.094 -0.064 0.000 1.474 484 V CA -0.539 61.766 62.300 0.008 0.000 1.025 484 V CB 0.060 31.880 31.823 -0.005 0.000 0.820 484 V HN 0.263 nan 8.190 nan 0.000 0.437 485 I N 1.689 122.107 120.570 -0.253 0.000 2.354 485 I HA 0.775 4.945 4.170 0.000 0.000 0.292 485 I C 0.075 175.935 176.117 -0.429 0.000 0.989 485 I CA 0.353 61.300 61.300 -0.589 0.000 1.188 485 I CB 1.009 38.282 38.000 -1.211 0.000 1.342 485 I HN 0.336 nan 8.210 nan 0.000 0.457 486 S N 6.331 121.741 115.700 -0.483 0.000 3.144 486 S HA 0.825 5.295 4.470 0.000 0.000 0.325 486 S C -1.110 173.250 174.600 -0.400 0.000 1.161 486 S CA -0.525 57.414 58.200 -0.435 0.000 0.920 486 S CB 1.974 64.817 63.200 -0.594 0.000 1.340 486 S HN 0.731 nan 8.310 nan 0.000 0.681 487 R N 0.732 121.030 120.500 -0.337 0.000 2.710 487 R HA 0.540 4.880 4.340 0.000 0.000 0.270 487 R C -3.503 172.669 176.300 -0.213 0.000 1.021 487 R CA -1.907 54.069 56.100 -0.207 0.000 0.889 487 R CB 0.469 30.713 30.300 -0.094 0.000 1.243 487 R HN 0.462 nan 8.270 nan 0.000 0.464 488 P HA 0.250 nan 4.420 nan 0.000 0.271 488 P C -0.289 176.939 177.300 -0.121 0.000 1.216 488 P CA 0.178 63.199 63.100 -0.133 0.000 0.776 488 P CB 1.111 32.754 31.700 -0.095 0.000 0.881 489 G N 1.897 110.632 108.800 -0.109 0.000 3.257 489 G HA2 0.453 4.413 3.960 0.000 0.000 0.205 489 G HA3 0.453 4.413 3.960 0.000 0.000 0.205 489 G C -0.696 174.153 174.900 -0.085 0.000 1.234 489 G CA -0.423 44.615 45.100 -0.103 0.000 0.918 489 G HN 0.486 nan 8.290 nan 0.000 0.602 490 Q N -1.274 118.484 119.800 -0.070 0.000 3.067 490 Q HA 0.412 4.752 4.340 0.000 0.000 0.200 490 Q C 1.779 177.764 176.000 -0.026 0.000 1.068 490 Q CA -0.254 55.518 55.803 -0.051 0.000 0.800 490 Q CB 0.712 29.417 28.738 -0.056 0.000 2.832 490 Q HN 0.457 nan 8.270 nan 0.000 0.405 491 S N -0.345 115.345 115.700 -0.015 0.000 2.368 491 S HA -0.162 4.308 4.470 0.000 0.000 0.225 491 S C 1.553 176.157 174.600 0.007 0.000 1.030 491 S CA 1.606 59.803 58.200 -0.005 0.000 0.999 491 S CB 0.033 63.229 63.200 -0.006 0.000 0.844 491 S HN 0.357 nan 8.310 nan 0.000 0.459 492 Q N -0.659 119.151 119.800 0.017 0.000 2.339 492 Q HA 0.244 4.584 4.340 0.000 0.000 0.205 492 Q C 0.491 176.526 176.000 0.059 0.000 0.925 492 Q CA 0.446 56.270 55.803 0.036 0.000 0.898 492 Q CB 0.004 28.768 28.738 0.043 0.000 1.013 492 Q HN 0.538 nan 8.270 nan 0.000 0.504 493 c N 3.150 121.780 118.600 0.050 0.000 3.276 493 c HA 0.380 4.950 4.570 0.000 0.000 0.226 493 c C -2.101 171.997 174.090 0.012 0.000 1.502 493 c CA -1.438 54.928 56.329 0.063 0.000 1.488 493 c CB 0.184 42.748 42.510 0.091 0.000 2.014 493 c HN 0.230 nan 8.230 nan 0.000 0.492 494 P HA 0.164 nan 4.420 nan 0.000 0.279 494 P C -0.155 177.107 177.300 -0.062 0.000 1.282 494 P CA -0.325 62.759 63.100 -0.027 0.000 0.788 494 P CB 0.730 32.430 31.700 0.000 0.000 1.139 495 R N -0.245 120.167 120.500 -0.147 0.000 2.638 495 R HA -0.016 4.324 4.340 0.000 0.000 0.268 495 R C 0.024 176.177 176.300 -0.245 0.000 1.006 495 R CA 0.448 56.326 56.100 -0.371 0.000 1.088 495 R CB -0.788 29.157 30.300 -0.591 0.000 0.950 495 R HN 0.443 nan 8.270 nan 0.000 0.419 496 F N -0.923 119.008 119.950 -0.031 0.000 2.748 496 F HA -0.335 4.192 4.527 -0.000 0.000 0.370 496 F C 0.375 176.181 175.800 0.010 0.000 0.620 496 F CA 1.073 59.060 58.000 -0.021 0.000 1.233 496 F CB -2.164 36.823 39.000 -0.022 0.000 1.708 496 F HN 0.657 nan 8.300 nan 0.000 0.298 497 N N 0.971 119.755 118.700 0.140 0.000 2.458 497 N HA 0.335 5.075 4.740 0.000 0.000 0.258 497 N C 1.029 176.639 175.510 0.167 0.000 1.219 497 N CA 1.164 54.301 53.050 0.144 0.000 0.902 497 N CB 0.743 39.305 38.487 0.125 0.000 1.076 497 N HN 0.296 nan 8.380 nan 0.000 0.455 498 T N -1.322 113.348 114.554 0.194 0.000 2.986 498 T HA 0.210 4.560 4.350 0.000 0.000 0.264 498 T C 0.353 175.243 174.700 0.317 0.000 0.964 498 T CA -0.232 62.016 62.100 0.247 0.000 0.895 498 T CB -0.513 68.456 68.868 0.169 0.000 1.163 498 T HN 0.367 nan 8.240 nan 0.000 0.517 499 c N 3.988 122.706 118.600 0.197 0.000 2.435 499 c HA 0.509 5.079 4.570 0.000 0.000 0.375 499 c C -2.293 171.741 174.090 -0.095 0.000 1.281 499 c CA -1.472 54.883 56.329 0.042 0.000 1.963 499 c CB 0.517 43.046 42.510 0.032 0.000 2.490 499 c HN 0.339 nan 8.230 nan 0.000 0.557 500 P HA 0.095 nan 4.420 nan 0.000 0.261 500 P C -0.259 176.777 177.300 -0.440 0.000 1.183 500 P CA 0.938 63.368 63.100 -1.116 0.000 0.761 500 P CB 0.401 31.453 31.700 -1.080 0.000 0.785 501 E N 2.472 122.512 120.200 -0.266 0.000 2.413 501 E HA 0.393 4.743 4.350 0.000 0.000 0.277 501 E C -0.366 176.278 176.600 0.074 0.000 0.958 501 E CA -0.804 55.585 56.400 -0.018 0.000 0.779 501 E CB 1.875 31.629 29.700 0.090 0.000 1.278 501 E HN 0.279 nan 8.360 nan 0.000 0.456 502 I N 1.967 122.580 120.570 0.071 0.000 2.301 502 I HA 0.250 4.420 4.170 0.000 0.000 0.292 502 I C 0.062 176.259 176.117 0.134 0.000 1.046 502 I CA -0.291 61.072 61.300 0.105 0.000 1.282 502 I CB 0.075 38.112 38.000 0.062 0.000 1.409 502 I HN 0.467 nan 8.210 nan 0.000 0.484 503 c N 3.550 122.265 118.600 0.193 0.000 3.284 503 c HA 0.565 5.135 4.570 0.000 0.000 0.338 503 c C -1.540 172.722 174.090 0.286 0.000 1.237 503 c CA -0.986 55.459 56.329 0.193 0.000 1.276 503 c CB 0.957 43.558 42.510 0.151 0.000 1.601 503 c HN 0.889 nan 8.230 nan 0.000 0.494 504 W N 3.619 124.937 121.300 0.030 0.000 2.517 504 W HA 0.656 5.317 4.660 0.001 0.000 0.301 504 W C -0.562 175.915 176.519 -0.071 0.000 1.002 504 W CA -0.130 57.221 57.345 0.011 0.000 1.415 504 W CB 0.709 30.187 29.460 0.030 0.000 1.275 504 W HN 1.040 nan 8.180 nan 0.000 0.413 505 E N 4.287 124.282 120.200 -0.342 0.000 2.416 505 E HA 0.745 5.095 4.350 0.000 0.000 0.280 505 E C -0.266 176.059 176.600 -0.457 0.000 1.055 505 E CA -0.810 55.304 56.400 -0.476 0.000 0.825 505 E CB 1.551 31.114 29.700 -0.228 0.000 1.312 505 E HN 0.636 nan 8.360 nan 0.000 0.452 506 G N -0.503 108.003 108.800 -0.491 0.000 2.346 506 G HA2 0.343 4.303 3.960 0.000 0.000 0.294 506 G HA3 0.343 4.303 3.960 0.000 0.000 0.294 506 G C -1.632 173.081 174.900 -0.311 0.000 1.294 506 G CA -0.286 44.636 45.100 -0.296 0.000 0.962 506 G HN 0.812 nan 8.290 nan 0.000 0.508 507 V N -0.296 119.628 119.914 0.016 0.000 2.888 507 V HA 0.530 4.650 4.120 0.000 0.000 0.309 507 V C -0.918 175.405 176.094 0.381 0.000 1.114 507 V CA -0.820 61.573 62.300 0.154 0.000 0.940 507 V CB 2.020 33.877 31.823 0.056 0.000 1.021 507 V HN 1.067 nan 8.190 nan 0.000 0.426 508 Y N 4.171 124.664 120.300 0.322 0.000 2.531 508 Y HA 0.392 4.942 4.550 -0.000 0.000 0.347 508 Y C 0.161 176.144 175.900 0.139 0.000 1.024 508 Y CA 0.389 58.633 58.100 0.239 0.000 1.306 508 Y CB 0.359 38.918 38.460 0.164 0.000 1.149 508 Y HN 0.676 nan 8.280 nan 0.000 0.527 509 N N 5.819 124.455 118.700 -0.107 0.000 2.648 509 N HA 0.098 4.838 4.740 0.000 0.000 0.261 509 N C -1.479 173.747 175.510 -0.473 0.000 1.138 509 N CA -0.664 52.290 53.050 -0.160 0.000 0.804 509 N CB 0.767 39.292 38.487 0.062 0.000 1.237 509 N HN 0.716 nan 8.380 nan 0.000 0.532 510 D N 0.540 120.416 120.400 -0.873 0.000 2.383 510 D HA 0.611 5.252 4.640 0.000 0.000 0.248 510 D C -0.273 175.661 176.300 -0.609 0.000 1.170 510 D CA -0.647 52.537 54.000 -1.360 0.000 0.977 510 D CB 0.981 41.029 40.800 -1.253 0.000 1.120 510 D HN 0.297 nan 8.370 nan 0.000 0.481 511 A N -0.149 122.386 122.820 -0.475 0.000 2.414 511 A HA 0.594 4.914 4.320 0.000 0.000 0.306 511 A C -1.682 175.946 177.584 0.074 0.000 1.054 511 A CA -0.885 51.102 52.037 -0.083 0.000 0.724 511 A CB 0.901 19.892 19.000 -0.016 0.000 1.267 511 A HN 0.509 nan 8.150 nan 0.000 0.418 512 F N 2.213 122.130 119.950 -0.055 0.000 2.449 512 F HA 0.532 5.059 4.527 0.000 0.000 0.342 512 F C -0.267 175.561 175.800 0.047 0.000 1.127 512 F CA -0.881 57.050 58.000 -0.114 0.000 0.975 512 F CB 1.500 40.337 39.000 -0.271 0.000 1.146 512 F HN 0.564 nan 8.300 nan 0.000 0.444 513 L N 8.033 129.262 121.223 0.010 0.000 2.462 513 L HA 0.191 4.531 4.340 0.000 0.000 0.272 513 L C 0.607 177.473 176.870 -0.007 0.000 1.166 513 L CA 0.632 55.362 54.840 -0.183 0.000 0.880 513 L CB 0.289 42.021 42.059 -0.545 0.000 1.142 513 L HN 0.722 nan 8.230 nan 0.000 0.473 514 I N -0.205 120.334 120.570 -0.053 0.000 4.139 514 I HA 0.465 4.635 4.170 0.000 0.000 0.335 514 I C -0.405 175.677 176.117 -0.060 0.000 1.327 514 I CA -0.002 61.314 61.300 0.025 0.000 1.112 514 I CB 0.508 38.531 38.000 0.038 0.000 1.058 514 I HN 0.532 nan 8.210 nan 0.000 0.396 515 D N 1.677 121.974 120.400 -0.171 0.000 2.354 515 D HA 0.174 4.814 4.640 0.000 0.000 0.230 515 D C 0.466 176.604 176.300 -0.270 0.000 1.361 515 D CA -0.381 53.528 54.000 -0.151 0.000 0.992 515 D CB 1.639 42.389 40.800 -0.083 0.000 1.409 515 D HN 0.128 nan 8.370 nan 0.000 0.573 516 R N 3.448 123.791 120.500 -0.263 0.000 2.090 516 R HA 0.114 4.454 4.340 0.000 0.000 0.228 516 R C 1.751 178.015 176.300 -0.061 0.000 1.110 516 R CA 0.741 56.650 56.100 -0.318 0.000 0.973 516 R CB 0.075 30.263 30.300 -0.187 0.000 0.869 516 R HN 0.516 nan 8.270 nan 0.000 0.440 517 I N 1.235 121.792 120.570 -0.021 0.000 2.264 517 I HA -0.284 3.886 4.170 0.000 0.000 0.248 517 I C 1.180 177.338 176.117 0.068 0.000 1.111 517 I CA 1.280 62.601 61.300 0.035 0.000 1.382 517 I CB -0.214 37.797 38.000 0.019 0.000 1.060 517 I HN 0.277 nan 8.210 nan 0.000 0.418 518 N N -1.332 117.398 118.700 0.049 0.000 2.205 518 N HA -0.018 4.722 4.740 0.000 0.000 0.201 518 N C -0.428 175.176 175.510 0.157 0.000 1.128 518 N CA -0.063 53.037 53.050 0.083 0.000 0.867 518 N CB 0.378 38.893 38.487 0.047 0.000 0.996 518 N HN 0.260 nan 8.380 nan 0.000 0.503 519 W N 1.706 122.985 121.300 -0.034 0.000 6.544 519 W HA -0.204 4.456 4.660 0.000 0.000 0.423 519 W C -0.760 175.713 176.519 -0.078 0.000 1.688 519 W CA 0.143 57.453 57.345 -0.059 0.000 1.082 519 W CB -1.557 27.863 29.460 -0.067 0.000 2.917 519 W HN -0.027 nan 8.180 nan 0.000 1.481 520 I N 1.963 122.468 120.570 -0.108 0.000 2.404 520 I HA 0.442 4.612 4.170 0.000 0.000 0.293 520 I C 0.734 176.676 176.117 -0.292 0.000 0.992 520 I CA -0.508 60.693 61.300 -0.164 0.000 1.149 520 I CB 1.547 39.479 38.000 -0.112 0.000 1.315 520 I HN -0.126 nan 8.210 nan 0.000 0.446 521 S N 3.489 118.901 115.700 -0.479 0.000 2.704 521 S HA 0.909 5.379 4.470 0.000 0.000 0.296 521 S C -0.852 173.481 174.600 -0.444 0.000 1.138 521 S CA -0.778 57.173 58.200 -0.416 0.000 0.875 521 S CB 2.211 65.261 63.200 -0.251 0.000 1.151 521 S HN 0.721 nan 8.310 nan 0.000 0.500 522 A N 0.000 122.734 122.820 -0.145 0.000 2.475 522 A HA 0.982 5.302 4.320 0.000 0.000 0.301 522 A C -0.213 177.247 177.584 -0.206 0.000 1.059 522 A CA -0.401 51.528 52.037 -0.181 0.000 0.710 522 A CB 1.617 20.522 19.000 -0.158 0.000 1.288 522 A HN 1.302 nan 8.150 nan 0.000 0.408 523 G N -0.868 107.593 108.800 -0.565 0.000 2.506 523 G HA2 0.565 4.525 3.960 0.000 0.000 0.292 523 G HA3 0.565 4.525 3.960 0.000 0.000 0.292 523 G C -1.907 172.183 174.900 -1.349 0.000 1.425 523 G CA -0.369 44.209 45.100 -0.869 0.000 0.788 523 G HN 1.169 nan 8.290 nan 0.000 0.490 524 V N 0.801 120.008 119.914 -1.178 0.000 2.357 524 V HA 0.659 4.779 4.120 0.000 0.000 0.284 524 V C -0.963 174.589 176.094 -0.903 0.000 1.018 524 V CA -0.457 61.352 62.300 -0.818 0.000 0.841 524 V CB 0.457 32.078 31.823 -0.337 0.000 0.991 524 V HN 0.490 nan 8.190 nan 0.000 0.437 525 F N 4.005 123.861 119.950 -0.156 0.000 2.538 525 F HA 0.626 5.153 4.527 0.000 0.000 0.325 525 F C 0.041 175.775 175.800 -0.110 0.000 1.066 525 F CA -1.217 56.690 58.000 -0.155 0.000 0.946 525 F CB 1.539 40.412 39.000 -0.211 0.000 1.199 525 F HN 0.178 nan 8.300 nan 0.000 0.473 526 L N 2.106 123.379 121.223 0.083 0.000 2.261 526 L HA 0.251 4.591 4.340 0.000 0.000 0.289 526 L C -0.217 176.654 176.870 0.002 0.000 1.059 526 L CA -0.388 54.464 54.840 0.019 0.000 0.816 526 L CB 0.325 42.383 42.059 -0.002 0.000 1.191 526 L HN 0.509 nan 8.230 nan 0.000 0.431 527 D N 2.736 123.142 120.400 0.011 0.000 2.551 527 D HA 0.202 4.842 4.640 0.000 0.000 0.223 527 D C -0.405 175.896 176.300 0.002 0.000 1.144 527 D CA 0.475 54.482 54.000 0.011 0.000 1.025 527 D CB 0.368 41.187 40.800 0.031 0.000 1.085 527 D HN 0.412 nan 8.370 nan 0.000 0.506 528 S N 2.009 117.693 115.700 -0.026 0.000 2.558 528 S HA 0.223 4.693 4.470 0.000 0.000 0.277 528 S C 0.491 175.055 174.600 -0.059 0.000 1.143 528 S CA -0.766 57.420 58.200 -0.024 0.000 0.865 528 S CB 0.863 64.051 63.200 -0.020 0.000 1.102 528 S HN 0.175 nan 8.310 nan 0.000 0.454 529 N N 1.779 120.458 118.700 -0.034 0.000 2.173 529 N HA 0.113 4.853 4.740 0.000 0.000 0.184 529 N C 0.824 176.297 175.510 -0.062 0.000 1.025 529 N CA 1.190 54.211 53.050 -0.049 0.000 0.852 529 N CB 0.000 38.493 38.487 0.011 0.000 0.998 529 N HN 0.694 nan 8.380 nan 0.000 0.427 530 Q N -0.771 119.003 119.800 -0.044 0.000 2.073 530 Q HA 0.161 4.501 4.340 0.000 0.000 0.215 530 Q C -0.698 175.271 176.000 -0.051 0.000 0.776 530 Q CA -0.034 55.740 55.803 -0.048 0.000 1.008 530 Q CB 1.429 30.148 28.738 -0.032 0.000 1.196 530 Q HN 0.220 nan 8.270 nan 0.000 0.458 531 T N -2.333 112.193 114.554 -0.047 0.000 2.876 531 T HA 0.692 5.042 4.350 0.000 0.000 0.289 531 T C -0.152 174.519 174.700 -0.048 0.000 1.014 531 T CA -0.902 61.170 62.100 -0.048 0.000 0.986 531 T CB 2.042 70.889 68.868 -0.034 0.000 1.021 531 T HN 0.070 nan 8.240 nan 0.000 0.458 532 A N 2.598 125.386 122.820 -0.053 0.000 2.915 532 A HA 0.514 4.834 4.320 0.000 0.000 0.292 532 A C 0.242 177.813 177.584 -0.022 0.000 1.632 532 A CA -0.309 51.703 52.037 -0.043 0.000 1.337 532 A CB -0.730 18.238 19.000 -0.052 0.000 1.111 532 A HN 0.835 nan 8.150 nan 0.000 0.569 533 E N 0.482 120.674 120.200 -0.013 0.000 2.433 533 E HA 0.381 4.731 4.350 0.000 0.000 0.273 533 E C -0.709 175.894 176.600 0.005 0.000 0.950 533 E CA -1.302 55.099 56.400 0.002 0.000 0.796 533 E CB 1.108 30.810 29.700 0.003 0.000 1.330 533 E HN 0.416 nan 8.360 nan 0.000 0.455 534 N N 1.433 120.140 118.700 0.012 0.000 2.663 534 N HA -0.091 4.649 4.740 0.000 0.000 0.263 534 N C -2.716 172.793 175.510 -0.000 0.000 1.109 534 N CA 0.031 53.086 53.050 0.009 0.000 0.701 534 N CB -0.487 38.007 38.487 0.012 0.000 0.879 534 N HN 0.174 nan 8.380 nan 0.000 0.550 535 P HA 0.149 nan 4.420 nan 0.000 0.271 535 P C -0.591 176.671 177.300 -0.062 0.000 1.233 535 P CA -0.028 63.046 63.100 -0.043 0.000 0.764 535 P CB 0.903 32.571 31.700 -0.054 0.000 0.825 536 V N 5.768 125.653 119.914 -0.048 0.000 2.443 536 V HA 0.244 4.364 4.120 0.000 0.000 0.293 536 V C -0.037 176.035 176.094 -0.036 0.000 1.021 536 V CA -0.792 61.498 62.300 -0.016 0.000 0.848 536 V CB 1.304 33.148 31.823 0.034 0.000 0.998 536 V HN 0.418 nan 8.190 nan 0.000 0.424 537 F N 4.156 124.011 119.950 -0.157 0.000 2.541 537 F HA 0.421 4.948 4.527 0.000 0.000 0.378 537 F C 0.585 176.366 175.800 -0.032 0.000 1.068 537 F CA 0.843 58.753 58.000 -0.150 0.000 1.199 537 F CB 0.578 39.482 39.000 -0.160 0.000 1.091 537 F HN 0.509 nan 8.300 nan 0.000 0.555 538 T N 5.966 120.331 114.554 -0.316 0.000 2.879 538 T HA 0.461 4.811 4.350 0.000 0.000 0.290 538 T C -0.883 173.830 174.700 0.022 0.000 0.993 538 T CA -0.639 61.472 62.100 0.019 0.000 0.975 538 T CB 1.517 70.533 68.868 0.246 0.000 0.981 538 T HN 0.270 nan 8.240 nan 0.000 0.439 539 V N 5.274 125.181 119.914 -0.011 0.000 2.398 539 V HA 0.797 4.917 4.120 0.000 0.000 0.286 539 V C -0.607 175.445 176.094 -0.069 0.000 1.026 539 V CA -0.709 61.490 62.300 -0.168 0.000 0.868 539 V CB 0.330 31.807 31.823 -0.577 0.000 0.982 539 V HN 0.882 nan 8.190 nan 0.000 0.443 540 F N 2.726 122.614 119.950 -0.104 0.000 2.654 540 F HA 0.804 5.331 4.527 0.000 0.000 0.308 540 F C -0.739 175.107 175.800 0.077 0.000 1.108 540 F CA -1.238 56.752 58.000 -0.018 0.000 0.957 540 F CB 1.491 40.501 39.000 0.018 0.000 1.309 540 F HN 0.258 nan 8.300 nan 0.000 0.446 541 K N 0.668 121.195 120.400 0.213 0.000 2.288 541 K HA 0.299 4.619 4.320 0.000 0.000 0.234 541 K C -0.090 176.722 176.600 0.354 0.000 1.037 541 K CA -0.774 55.641 56.287 0.212 0.000 0.914 541 K CB 0.855 33.441 32.500 0.143 0.000 1.197 541 K HN 0.600 nan 8.250 nan 0.000 0.471 542 D N 0.820 121.380 120.400 0.268 0.000 2.133 542 D HA -0.140 4.500 4.640 0.000 0.000 0.195 542 D C 0.549 176.952 176.300 0.172 0.000 0.997 542 D CA 1.561 55.698 54.000 0.228 0.000 0.840 542 D CB 0.047 40.912 40.800 0.110 0.000 0.947 542 D HN 0.358 nan 8.370 nan 0.000 0.452 543 N N 0.063 118.842 118.700 0.132 0.000 2.238 543 N HA 0.080 4.820 4.740 0.000 0.000 0.235 543 N C -0.659 174.898 175.510 0.079 0.000 1.209 543 N CA 0.016 53.117 53.050 0.084 0.000 0.879 543 N CB 1.905 40.426 38.487 0.057 0.000 1.136 543 N HN 0.249 nan 8.380 nan 0.000 0.517 544 E N 0.804 121.072 120.200 0.114 0.000 2.406 544 E HA 0.254 4.604 4.350 0.000 0.000 0.297 544 E C -1.191 175.491 176.600 0.138 0.000 0.917 544 E CA -0.365 56.095 56.400 0.100 0.000 0.795 544 E CB 1.714 31.466 29.700 0.087 0.000 1.285 544 E HN 0.009 nan 8.360 nan 0.000 0.400 545 I N 6.038 126.673 120.570 0.108 0.000 2.416 545 I HA 0.065 4.235 4.170 0.000 0.000 0.288 545 I C 1.203 177.369 176.117 0.081 0.000 1.051 545 I CA 0.007 61.377 61.300 0.117 0.000 1.375 545 I CB 0.746 38.793 38.000 0.078 0.000 1.407 545 I HN 0.631 nan 8.210 nan 0.000 0.516 546 L N 6.810 128.044 121.223 0.018 0.000 2.116 546 L HA 0.086 4.426 4.340 0.000 0.000 0.200 546 L C -0.175 176.776 176.870 0.136 0.000 1.084 546 L CA 0.635 55.485 54.840 0.017 0.000 0.766 546 L CB -0.167 41.803 42.059 -0.148 0.000 0.930 546 L HN 0.585 nan 8.230 nan 0.000 0.453 547 Y N -1.214 119.151 120.300 0.109 0.000 2.638 547 Y HA 0.680 5.230 4.550 0.000 0.000 0.335 547 Y C -0.641 175.335 175.900 0.127 0.000 1.155 547 Y CA -1.799 56.359 58.100 0.095 0.000 1.046 547 Y CB 1.017 39.518 38.460 0.068 0.000 1.303 547 Y HN -0.003 nan 8.280 nan 0.000 0.460 548 R N 1.292 121.958 120.500 0.278 0.000 2.734 548 R HA 0.987 5.327 4.340 0.000 0.000 0.271 548 R C -2.087 174.322 176.300 0.181 0.000 1.021 548 R CA -1.238 54.989 56.100 0.212 0.000 0.893 548 R CB 2.076 32.461 30.300 0.142 0.000 1.244 548 R HN 1.294 nan 8.270 nan 0.000 0.464 549 A N 1.653 124.569 122.820 0.161 0.000 2.442 549 A HA 0.269 4.589 4.320 0.000 0.000 0.284 549 A C -1.096 176.509 177.584 0.035 0.000 1.058 549 A CA -0.653 51.432 52.037 0.079 0.000 0.738 549 A CB 1.863 20.885 19.000 0.037 0.000 1.242 549 A HN 0.730 nan 8.150 nan 0.000 0.421 550 Q N 2.203 122.011 119.800 0.013 0.000 2.271 550 Q HA 0.302 4.642 4.340 0.000 0.000 0.273 550 Q C 0.035 175.997 176.000 -0.064 0.000 1.051 550 Q CA 0.023 55.817 55.803 -0.014 0.000 0.901 550 Q CB 0.458 29.198 28.738 0.003 0.000 1.174 550 Q HN 0.806 nan 8.270 nan 0.000 0.385 551 L N 2.750 123.896 121.223 -0.127 0.000 2.477 551 L HA 0.218 4.558 4.340 0.000 0.000 0.220 551 L C 0.682 177.494 176.870 -0.098 0.000 1.106 551 L CA 0.415 55.105 54.840 -0.250 0.000 0.851 551 L CB 0.031 41.746 42.059 -0.573 0.000 0.994 551 L HN 0.715 nan 8.230 nan 0.000 0.462 552 A N -1.410 121.389 122.820 -0.035 0.000 3.972 552 A HA 0.679 4.999 4.320 0.000 0.000 0.166 552 A C -0.461 177.133 177.584 0.017 0.000 0.722 552 A CA -0.242 51.806 52.037 0.019 0.000 1.045 552 A CB 0.550 19.575 19.000 0.041 0.000 1.949 552 A HN -0.043 nan 8.150 nan 0.000 0.853 553 S N -0.705 115.010 115.700 0.025 0.000 2.739 553 S HA 0.398 4.868 4.470 0.000 0.000 0.306 553 S C 0.774 175.387 174.600 0.021 0.000 1.115 553 S CA -0.170 58.043 58.200 0.023 0.000 0.985 553 S CB 1.571 64.787 63.200 0.026 0.000 1.133 553 S HN 0.650 nan 8.310 nan 0.000 0.541 554 E N 0.773 120.985 120.200 0.020 0.000 2.153 554 E HA -0.206 4.144 4.350 0.000 0.000 0.194 554 E C 0.442 177.055 176.600 0.021 0.000 0.988 554 E CA 1.427 57.838 56.400 0.019 0.000 0.811 554 E CB -0.019 29.692 29.700 0.019 0.000 0.746 554 E HN 0.651 nan 8.360 nan 0.000 0.466 555 D N -0.733 119.682 120.400 0.025 0.000 2.349 555 D HA -0.025 4.615 4.640 0.000 0.000 0.214 555 D C 0.072 176.398 176.300 0.043 0.000 1.063 555 D CA 0.032 54.050 54.000 0.029 0.000 0.847 555 D CB -0.194 40.624 40.800 0.029 0.000 0.933 555 D HN -0.170 nan 8.370 nan 0.000 0.513 556 T N 2.297 116.878 114.554 0.045 0.000 2.769 556 T HA 0.066 4.416 4.350 0.000 0.000 0.293 556 T C 0.380 175.122 174.700 0.069 0.000 0.931 556 T CA -0.427 61.711 62.100 0.064 0.000 1.139 556 T CB 0.230 69.132 68.868 0.057 0.000 0.881 556 T HN 0.056 nan 8.240 nan 0.000 0.532 557 N N 2.489 121.251 118.700 0.104 0.000 2.483 557 N HA 0.438 5.178 4.740 0.000 0.000 0.264 557 N C -0.193 175.374 175.510 0.095 0.000 1.197 557 N CA 0.019 53.119 53.050 0.084 0.000 0.927 557 N CB 1.065 39.599 38.487 0.078 0.000 1.065 557 N HN 0.768 nan 8.380 nan 0.000 0.461 558 A N 1.374 124.225 122.820 0.052 0.000 2.593 558 A HA 0.540 4.860 4.320 0.000 0.000 0.290 558 A C -0.158 177.446 177.584 0.032 0.000 1.126 558 A CA -0.442 51.629 52.037 0.057 0.000 0.695 558 A CB 2.194 21.223 19.000 0.048 0.000 1.290 558 A HN 0.660 nan 8.150 nan 0.000 0.414 559 Q N -0.151 119.675 119.800 0.044 0.000 2.012 559 Q HA 0.345 4.685 4.340 0.000 0.000 0.206 559 Q C -0.378 175.663 176.000 0.069 0.000 0.627 559 Q CA -0.459 55.366 55.803 0.038 0.000 0.597 559 Q CB 0.479 29.233 28.738 0.027 0.000 2.100 559 Q HN 0.650 nan 8.270 nan 0.000 0.196 560 K N 1.694 122.151 120.400 0.094 0.000 2.448 560 K HA 0.114 4.434 4.320 0.000 0.000 0.278 560 K C -1.115 175.565 176.600 0.133 0.000 1.009 560 K CA 0.620 56.997 56.287 0.150 0.000 0.995 560 K CB 0.615 33.194 32.500 0.131 0.000 0.917 560 K HN 0.490 nan 8.250 nan 0.000 0.481 561 T N 1.837 116.486 114.554 0.158 0.000 2.861 561 T HA 0.578 4.928 4.350 0.000 0.000 0.287 561 T C -0.318 174.465 174.700 0.138 0.000 1.003 561 T CA -0.930 61.219 62.100 0.083 0.000 0.977 561 T CB 0.630 69.465 68.868 -0.055 0.000 0.996 561 T HN 0.424 nan 8.240 nan 0.000 0.448 562 I N 2.734 123.371 120.570 0.112 0.000 2.468 562 I HA 0.370 4.540 4.170 0.000 0.000 0.284 562 I C -0.372 175.783 176.117 0.063 0.000 1.038 562 I CA -0.717 60.666 61.300 0.139 0.000 1.083 562 I CB 2.246 40.333 38.000 0.146 0.000 1.223 562 I HN 0.674 nan 8.210 nan 0.000 0.443 563 T N 5.071 119.628 114.554 0.006 0.000 2.807 563 T HA 0.468 4.818 4.350 0.000 0.000 0.279 563 T C -0.446 174.233 174.700 -0.036 0.000 0.993 563 T CA -0.781 61.309 62.100 -0.017 0.000 0.970 563 T CB 1.295 70.108 68.868 -0.090 0.000 0.950 563 T HN 0.427 nan 8.240 nan 0.000 0.441 564 N N 1.299 119.917 118.700 -0.137 0.000 2.260 564 N HA 0.500 5.240 4.740 0.000 0.000 0.293 564 N C -1.280 173.861 175.510 -0.616 0.000 1.058 564 N CA -0.382 52.389 53.050 -0.466 0.000 0.824 564 N CB 2.058 40.484 38.487 -0.101 0.000 1.551 564 N HN 0.546 nan 8.380 nan 0.000 0.475 565 c N 1.708 119.432 118.600 -1.458 0.000 2.667 565 c HA 0.878 5.448 4.570 0.000 0.000 0.323 565 c C -0.573 173.312 174.090 -0.341 0.000 1.214 565 c CA -0.793 55.074 56.329 -0.770 0.000 1.721 565 c CB 0.176 42.362 42.510 -0.539 0.000 2.275 565 c HN 0.810 nan 8.230 nan 0.000 0.491 566 F N -1.370 118.508 119.950 -0.121 0.000 2.807 566 F HA 0.715 5.242 4.527 -0.000 0.000 0.316 566 F C -1.785 174.060 175.800 0.075 0.000 1.162 566 F CA -1.450 56.546 58.000 -0.007 0.000 0.910 566 F CB 0.415 39.398 39.000 -0.028 0.000 1.314 566 F HN 0.309 nan 8.300 nan 0.000 0.454 567 L N 2.477 123.881 121.223 0.301 0.000 2.312 567 L HA 0.630 4.971 4.340 0.000 0.000 0.281 567 L C -1.066 175.992 176.870 0.314 0.000 1.070 567 L CA -0.953 54.023 54.840 0.227 0.000 0.805 567 L CB 1.576 43.728 42.059 0.155 0.000 1.174 567 L HN 0.631 nan 8.230 nan 0.000 0.434 568 L N 4.557 125.954 121.223 0.291 0.000 2.406 568 L HA 0.346 4.686 4.340 0.000 0.000 0.270 568 L C -0.155 176.823 176.870 0.179 0.000 0.982 568 L CA -0.311 54.653 54.840 0.207 0.000 0.843 568 L CB 0.917 43.036 42.059 0.100 0.000 1.225 568 L HN 0.524 nan 8.230 nan 0.000 0.412 569 K N 4.438 124.903 120.400 0.109 0.000 3.148 569 K HA -0.247 4.073 4.320 0.000 0.000 0.267 569 K C 0.253 176.908 176.600 0.092 0.000 0.996 569 K CA 0.741 57.080 56.287 0.087 0.000 0.737 569 K CB -1.305 31.244 32.500 0.082 0.000 1.308 569 K HN 0.873 nan 8.250 nan 0.000 0.470 570 N N -0.722 118.033 118.700 0.091 0.000 2.753 570 N HA -0.166 4.574 4.740 0.000 0.000 0.251 570 N C -0.837 174.714 175.510 0.069 0.000 1.097 570 N CA 1.445 54.538 53.050 0.073 0.000 0.786 570 N CB -0.237 38.280 38.487 0.049 0.000 1.137 570 N HN 0.425 nan 8.380 nan 0.000 0.566 571 K N 0.763 121.229 120.400 0.110 0.000 2.206 571 K HA 0.433 4.753 4.320 0.000 0.000 0.264 571 K C 0.540 177.175 176.600 0.059 0.000 0.967 571 K CA -0.595 55.730 56.287 0.063 0.000 0.844 571 K CB 1.622 34.185 32.500 0.104 0.000 1.099 571 K HN 0.090 nan 8.250 nan 0.000 0.441 572 I N 2.574 123.094 120.570 -0.082 0.000 2.452 572 I HA 0.092 4.262 4.170 0.000 0.000 0.287 572 I C -0.462 175.465 176.117 -0.317 0.000 1.079 572 I CA -0.173 61.051 61.300 -0.127 0.000 1.387 572 I CB 0.221 38.162 38.000 -0.099 0.000 1.404 572 I HN 0.299 nan 8.210 nan 0.000 0.522 573 W N 5.500 126.523 121.300 -0.461 0.000 2.761 573 W HA 0.533 5.193 4.660 -0.000 0.000 0.340 573 W C -0.748 175.304 176.519 -0.779 0.000 1.072 573 W CA -0.268 56.725 57.345 -0.586 0.000 1.215 573 W CB 1.692 30.740 29.460 -0.687 0.000 1.420 573 W HN 0.327 nan 8.180 nan 0.000 0.519 574 c N 3.490 121.964 118.600 -0.209 0.000 2.456 574 c HA 0.656 5.226 4.570 0.000 0.000 0.325 574 c C -0.038 174.071 174.090 0.031 0.000 1.217 574 c CA -0.835 55.413 56.329 -0.135 0.000 1.687 574 c CB 0.363 42.941 42.510 0.113 0.000 2.270 574 c HN 0.438 nan 8.230 nan 0.000 0.499 575 I N 2.400 123.039 120.570 0.114 0.000 2.378 575 I HA 0.341 4.511 4.170 0.000 0.000 0.291 575 I C -0.146 176.050 176.117 0.133 0.000 0.992 575 I CA 0.392 61.786 61.300 0.157 0.000 1.154 575 I CB 1.496 39.611 38.000 0.191 0.000 1.315 575 I HN 0.637 nan 8.210 nan 0.000 0.448 576 S N 7.072 122.874 115.700 0.170 0.000 2.478 576 S HA 0.483 4.953 4.470 0.000 0.000 0.312 576 S C -0.519 174.190 174.600 0.182 0.000 1.094 576 S CA -0.529 57.775 58.200 0.173 0.000 1.081 576 S CB 1.672 65.009 63.200 0.228 0.000 1.007 576 S HN 0.462 nan 8.310 nan 0.000 0.475 577 L N 4.808 126.108 121.223 0.129 0.000 2.305 577 L HA 0.671 5.011 4.340 0.000 0.000 0.281 577 L C -1.372 175.584 176.870 0.144 0.000 1.085 577 L CA -0.301 54.615 54.840 0.126 0.000 0.813 577 L CB 0.582 42.713 42.059 0.119 0.000 1.157 577 L HN 0.417 nan 8.230 nan 0.000 0.436 578 V N 4.741 124.760 119.914 0.175 0.000 2.524 578 V HA 0.277 4.397 4.120 0.000 0.000 0.297 578 V C -0.394 175.784 176.094 0.140 0.000 1.035 578 V CA -0.777 61.623 62.300 0.166 0.000 0.867 578 V CB 1.595 33.564 31.823 0.242 0.000 1.004 578 V HN 0.736 nan 8.190 nan 0.000 0.426 579 E N 5.038 125.302 120.200 0.106 0.000 2.366 579 E HA 0.409 4.759 4.350 0.000 0.000 0.266 579 E C -0.828 175.834 176.600 0.103 0.000 1.015 579 E CA 0.212 56.668 56.400 0.093 0.000 0.906 579 E CB 1.035 30.782 29.700 0.079 0.000 0.979 579 E HN 0.494 nan 8.360 nan 0.000 0.443 580 I N 3.258 123.892 120.570 0.106 0.000 2.647 580 I HA 0.285 4.455 4.170 0.000 0.000 0.295 580 I C -1.042 175.159 176.117 0.140 0.000 1.078 580 I CA -1.041 60.332 61.300 0.121 0.000 1.048 580 I CB 1.631 39.701 38.000 0.117 0.000 1.239 580 I HN 0.537 nan 8.210 nan 0.000 0.421 581 Y N 4.526 124.838 120.300 0.020 0.000 2.509 581 Y HA 0.592 5.142 4.550 0.000 0.000 0.341 581 Y C -1.263 174.644 175.900 0.013 0.000 1.038 581 Y CA -0.271 57.835 58.100 0.011 0.000 1.089 581 Y CB 1.865 40.328 38.460 0.005 0.000 1.241 581 Y HN 0.564 nan 8.280 nan 0.000 0.468 582 D N 1.145 121.123 120.400 -0.703 0.000 2.661 582 D HA 0.275 4.915 4.640 0.000 0.000 0.228 582 D C 0.326 176.179 176.300 -0.745 0.000 1.183 582 D CA -0.292 53.423 54.000 -0.474 0.000 0.844 582 D CB 2.427 43.099 40.800 -0.214 0.000 1.555 582 D HN 0.644 nan 8.370 nan 0.000 0.453 583 T N 0.510 114.905 114.554 -0.265 0.000 2.624 583 T HA 0.035 4.385 4.350 0.000 0.000 0.268 583 T C 1.057 175.657 174.700 -0.167 0.000 1.041 583 T CA 1.503 63.531 62.100 -0.121 0.000 1.159 583 T CB -0.436 68.425 68.868 -0.012 0.000 0.863 583 T HN 0.460 nan 8.240 nan 0.000 0.434 584 G N 0.389 109.099 108.800 -0.150 0.000 2.372 584 G HA2 0.455 4.415 3.960 0.000 0.000 0.323 584 G HA3 0.455 4.415 3.960 0.000 0.000 0.323 584 G C -0.870 173.938 174.900 -0.155 0.000 1.152 584 G CA -0.488 44.539 45.100 -0.123 0.000 0.906 584 G HN 0.123 nan 8.290 nan 0.000 0.460 585 D N 1.007 121.322 120.400 -0.142 0.000 2.706 585 D HA 0.062 4.702 4.640 0.000 0.000 0.236 585 D C 0.943 177.175 176.300 -0.113 0.000 1.231 585 D CA -0.221 53.717 54.000 -0.103 0.000 0.828 585 D CB -0.355 40.402 40.800 -0.072 0.000 1.015 585 D HN 0.451 nan 8.370 nan 0.000 0.484 586 N N 0.313 118.901 118.700 -0.188 0.000 2.727 586 N HA -0.185 4.555 4.740 0.000 0.000 0.251 586 N C -1.342 174.114 175.510 -0.090 0.000 1.040 586 N CA 1.027 53.986 53.050 -0.151 0.000 0.712 586 N CB -1.057 37.427 38.487 -0.005 0.000 0.912 586 N HN 0.100 nan 8.380 nan 0.000 0.545 587 V N -1.238 118.541 119.914 -0.225 0.000 2.733 587 V HA 0.647 4.767 4.120 0.000 0.000 0.306 587 V C 0.438 176.512 176.094 -0.034 0.000 1.084 587 V CA -1.134 61.126 62.300 -0.067 0.000 0.905 587 V CB 1.796 33.575 31.823 -0.073 0.000 1.010 587 V HN 0.236 nan 8.190 nan 0.000 0.424 588 I N 4.093 124.752 120.570 0.149 0.000 2.581 588 I HA 0.669 4.839 4.170 0.000 0.000 0.288 588 I C 0.214 176.356 176.117 0.042 0.000 1.047 588 I CA -0.317 61.077 61.300 0.156 0.000 1.374 588 I CB 0.798 38.903 38.000 0.175 0.000 1.423 588 I HN 0.962 nan 8.210 nan 0.000 0.549 589 R N 7.338 127.857 120.500 0.032 0.000 2.563 589 R HA 0.383 4.723 4.340 0.000 0.000 0.262 589 R C -2.886 173.424 176.300 0.016 0.000 1.128 589 R CA -1.378 54.719 56.100 -0.005 0.000 0.969 589 R CB 2.089 32.369 30.300 -0.032 0.000 1.251 589 R HN 0.259 nan 8.270 nan 0.000 0.442 590 P HA 0.157 nan 4.420 nan 0.000 0.276 590 P C -1.229 176.059 177.300 -0.020 0.000 1.230 590 P CA -0.088 63.039 63.100 0.045 0.000 0.776 590 P CB 0.903 32.668 31.700 0.109 0.000 0.888 591 K N 2.635 123.015 120.400 -0.033 0.000 2.156 591 K HA 0.559 4.879 4.320 0.000 0.000 0.254 591 K C -0.298 176.152 176.600 -0.250 0.000 0.950 591 K CA -0.896 55.264 56.287 -0.211 0.000 0.849 591 K CB 1.426 33.777 32.500 -0.249 0.000 1.100 591 K HN 0.431 nan 8.250 nan 0.000 0.434 592 L N 3.150 124.100 121.223 -0.455 0.000 2.322 592 L HA 0.518 4.858 4.340 0.000 0.000 0.281 592 L C -0.890 175.640 176.870 -0.566 0.000 1.014 592 L CA -0.783 53.850 54.840 -0.344 0.000 0.815 592 L CB 0.603 42.479 42.059 -0.304 0.000 1.247 592 L HN 0.445 nan 8.230 nan 0.000 0.421 593 F N 1.390 121.289 119.950 -0.085 0.000 2.520 593 F HA 0.694 5.221 4.527 -0.000 0.000 0.322 593 F C 0.290 176.057 175.800 -0.054 0.000 1.103 593 F CA -0.682 57.270 58.000 -0.080 0.000 0.926 593 F CB 2.022 40.982 39.000 -0.066 0.000 1.154 593 F HN 0.414 nan 8.300 nan 0.000 0.453 594 A N 2.536 125.435 122.820 0.131 0.000 2.318 594 A HA 0.836 5.156 4.320 0.000 0.000 0.324 594 A C -1.348 176.346 177.584 0.183 0.000 1.170 594 A CA -0.645 51.496 52.037 0.174 0.000 0.810 594 A CB 0.966 20.047 19.000 0.136 0.000 1.198 594 A HN 0.558 nan 8.150 nan 0.000 0.484 595 V N 2.943 122.884 119.914 0.046 0.000 2.482 595 V HA 0.318 4.438 4.120 0.000 0.000 0.295 595 V C 0.033 175.842 176.094 -0.475 0.000 1.026 595 V CA -0.793 61.318 62.300 -0.316 0.000 0.856 595 V CB 1.477 32.748 31.823 -0.922 0.000 1.001 595 V HN 0.967 nan 8.190 nan 0.000 0.424 596 K N 4.707 124.538 120.400 -0.948 0.000 2.322 596 K HA 0.381 4.701 4.320 0.000 0.000 0.283 596 K C -0.355 175.860 176.600 -0.641 0.000 1.042 596 K CA -0.562 54.913 56.287 -1.353 0.000 0.958 596 K CB 0.578 32.067 32.500 -1.684 0.000 0.984 596 K HN 0.497 nan 8.250 nan 0.000 0.473 597 I N 7.464 127.754 120.570 -0.468 0.000 2.396 597 I HA 0.151 4.321 4.170 0.000 0.000 0.289 597 I C -1.821 174.176 176.117 -0.201 0.000 1.056 597 I CA -2.785 58.404 61.300 -0.185 0.000 1.365 597 I CB 0.268 38.229 38.000 -0.065 0.000 1.407 597 I HN 0.606 nan 8.210 nan 0.000 0.509 598 P HA 0.199 nan 4.420 nan 0.000 0.274 598 P C 0.134 177.348 177.300 -0.143 0.000 1.231 598 P CA -0.218 62.764 63.100 -0.196 0.000 0.790 598 P CB 1.268 32.814 31.700 -0.256 0.000 0.951 599 E N 0.379 120.504 120.200 -0.126 0.000 2.250 599 E HA -0.035 4.315 4.350 0.000 0.000 0.192 599 E C 0.520 177.071 176.600 -0.081 0.000 0.986 599 E CA 0.607 56.957 56.400 -0.083 0.000 0.849 599 E CB 0.283 29.943 29.700 -0.068 0.000 0.797 599 E HN 0.555 nan 8.360 nan 0.000 0.482 600 Q N -0.648 119.088 119.800 -0.107 0.000 2.297 600 Q HA 0.285 4.625 4.340 0.000 0.000 0.268 600 Q C -0.049 175.862 176.000 -0.149 0.000 1.045 600 Q CA -0.632 55.112 55.803 -0.100 0.000 0.861 600 Q CB 2.102 30.793 28.738 -0.080 0.000 1.344 600 Q HN 0.121 nan 8.270 nan 0.000 0.452 601 c N 0.341 118.868 118.600 -0.122 0.000 2.791 601 c HA 0.151 4.721 4.570 0.000 0.000 0.270 601 c C 0.911 174.932 174.090 -0.115 0.000 1.257 601 c CA -0.031 56.209 56.329 -0.147 0.000 1.699 601 c CB -0.881 41.580 42.510 -0.082 0.000 1.904 601 c HN 0.805 nan 8.230 nan 0.000 0.603 602 T N 0.000 114.499 114.554 -0.092 0.000 3.816 602 T HA 0.000 4.350 4.350 0.000 0.000 0.228 602 T CA 0.000 62.059 62.100 -0.068 0.000 1.349 602 T CB 0.000 68.841 68.868 -0.044 0.000 0.612 602 T HN 0.000 nan 8.240 nan 0.000 0.658