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 2qlu_1_A DATA FIRST_RESID 188 DATA SEQUENCE GSLQLLEIKA RGRFGCVWKA QLMNDFVAVK IFPLQDKQSW QSEREIFSTP DATA SEQUENCE GMKHENLLQF IAAEKRGSNL EVELWLITAF HDKGSLTDYL KGNIITWNEL DATA SEQUENCE CHVAETMSRG LSYLHEDVPW CRGEGHKPSI AHRDFKSKNV LLKSDLTAVL DATA SEQUENCE ADFGLAVRFE PGKPPGDTHG QVGTRRYMAP EVLEGAINFQ RDAFLRIDMY DATA SEQUENCE AMGLVLWELV SRCKAADGPV DEYMLPFEEE IGQHPSLEEL QEVVVHKKMR DATA SEQUENCE PTIKDHWLKH PGLAQLCVTI EECWDHDAEA RLSAGCVEER VSLIRRS 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 188 G HA2 0.000 nan 3.960 nan 0.000 0.244 188 G HA3 0.000 3.960 3.960 0.001 0.000 0.244 188 G C 0.000 174.904 174.900 0.007 0.000 0.946 188 G CA 0.000 45.100 45.100 0.001 0.000 0.502 189 S N -0.584 115.123 115.700 0.012 0.000 2.557 189 S HA 0.268 4.739 4.470 0.001 0.000 0.223 189 S C 0.692 175.306 174.600 0.022 0.000 0.969 189 S CA -0.143 58.062 58.200 0.008 0.000 0.927 189 S CB 0.099 63.296 63.200 -0.005 0.000 0.806 189 S HN 0.620 nan 8.310 nan 0.000 0.489 190 L N 3.053 124.304 121.223 0.046 0.000 2.562 190 L HA 0.322 4.663 4.340 0.001 0.000 0.271 190 L C 0.103 177.014 176.870 0.068 0.000 1.167 190 L CA 0.853 55.738 54.840 0.076 0.000 0.917 190 L CB 0.234 42.386 42.059 0.156 0.000 1.187 190 L HN 0.470 nan 8.230 nan 0.000 0.482 191 Q N 5.009 124.831 119.800 0.037 0.000 2.339 191 Q HA 0.393 4.733 4.340 0.001 0.000 0.268 191 Q C -1.162 174.826 176.000 -0.019 0.000 1.027 191 Q CA -0.708 55.104 55.803 0.015 0.000 0.759 191 Q CB 1.067 29.817 28.738 0.021 0.000 1.244 191 Q HN 0.617 nan 8.270 nan 0.000 0.464 192 L N 3.973 125.137 121.223 -0.098 0.000 2.456 192 L HA 0.007 4.347 4.340 0.001 0.000 0.272 192 L C 0.277 177.141 176.870 -0.011 0.000 1.189 192 L CA -0.164 54.571 54.840 -0.174 0.000 0.846 192 L CB 0.311 42.008 42.059 -0.604 0.000 1.111 192 L HN 0.677 nan 8.230 nan 0.000 0.475 193 L N 1.246 122.548 121.223 0.130 0.000 2.862 193 L HA 0.306 4.646 4.340 0.001 0.000 0.169 193 L C 0.120 177.119 176.870 0.214 0.000 1.164 193 L CA 0.888 55.795 54.840 0.113 0.000 0.858 193 L CB 0.035 42.084 42.059 -0.018 0.000 1.329 193 L HN 0.750 nan 8.230 nan 0.000 0.514 194 E N -1.117 119.196 120.200 0.190 0.000 2.392 194 E HA 0.428 4.778 4.350 0.001 0.000 0.279 194 E C -1.071 175.347 176.600 -0.303 0.000 0.964 194 E CA -0.704 55.687 56.400 -0.015 0.000 0.777 194 E CB 1.861 31.509 29.700 -0.085 0.000 1.249 194 E HN -0.052 nan 8.360 nan 0.000 0.449 195 I N 2.095 122.244 120.570 -0.702 0.000 2.533 195 I HA 0.029 4.199 4.170 0.001 0.000 0.284 195 I C 0.845 176.743 176.117 -0.365 0.000 1.109 195 I CA 0.047 60.872 61.300 -0.791 0.000 1.412 195 I CB 0.547 38.033 38.000 -0.856 0.000 1.396 195 I HN 0.535 nan 8.210 nan 0.000 0.543 196 K N 4.660 124.909 120.400 -0.251 0.000 2.262 196 K HA 0.415 4.735 4.320 0.001 0.000 0.200 196 K C -0.123 176.418 176.600 -0.098 0.000 1.058 196 K CA 0.413 56.642 56.287 -0.097 0.000 0.974 196 K CB 0.549 33.084 32.500 0.058 0.000 0.910 196 K HN 0.671 nan 8.250 nan 0.000 0.484 197 A N 1.038 123.786 122.820 -0.120 0.000 2.422 197 A HA 0.542 4.862 4.320 0.001 0.000 0.302 197 A C -1.284 176.219 177.584 -0.135 0.000 1.041 197 A CA -0.879 51.097 52.037 -0.102 0.000 0.708 197 A CB 0.993 19.956 19.000 -0.062 0.000 1.257 197 A HN 0.210 nan 8.150 nan 0.000 0.414 198 R N 2.722 123.150 120.500 -0.120 0.000 2.408 198 R HA 0.447 4.788 4.340 0.001 0.000 0.308 198 R C 0.604 176.848 176.300 -0.094 0.000 1.210 198 R CA 0.014 56.043 56.100 -0.117 0.000 1.115 198 R CB 0.440 30.676 30.300 -0.107 0.000 1.127 198 R HN 0.713 nan 8.270 nan 0.000 0.523 199 G N 1.694 110.435 108.800 -0.098 0.000 2.583 199 G HA2 -0.030 3.930 3.960 0.001 0.000 0.275 199 G HA3 -0.030 3.930 3.960 0.001 0.000 0.275 199 G C 0.637 175.461 174.900 -0.128 0.000 1.342 199 G CA -0.605 44.441 45.100 -0.090 0.000 1.030 199 G HN 0.498 nan 8.290 nan 0.000 0.520 200 R N -1.083 119.315 120.500 -0.170 0.000 2.057 200 R HA 0.051 4.392 4.340 0.001 0.000 0.224 200 R C 1.798 177.810 176.300 -0.481 0.000 1.136 200 R CA 1.158 57.009 56.100 -0.415 0.000 0.968 200 R CB -0.267 29.620 30.300 -0.688 0.000 0.863 200 R HN 0.526 nan 8.270 nan 0.000 0.433 201 F N -0.261 119.719 119.950 0.051 0.000 2.661 201 F HA 0.397 4.925 4.527 0.001 0.000 0.306 201 F C 0.934 176.736 175.800 0.005 0.000 1.094 201 F CA -0.349 57.717 58.000 0.110 0.000 1.254 201 F CB 1.367 40.521 39.000 0.256 0.000 1.040 201 F HN 0.057 nan 8.300 nan 0.000 0.562 202 G N -0.915 107.837 108.800 -0.081 0.000 2.600 202 G HA2 0.459 4.420 3.960 0.001 0.000 0.293 202 G HA3 0.459 4.420 3.960 0.001 0.000 0.293 202 G C -2.285 172.476 174.900 -0.232 0.000 1.408 202 G CA -0.805 44.049 45.100 -0.411 0.000 0.782 202 G HN 0.001 nan 8.290 nan 0.000 0.482 203 C N 0.349 119.527 119.300 -0.204 0.000 2.701 203 C HA 0.715 5.175 4.460 0.001 0.000 0.336 203 C C -0.774 174.176 174.990 -0.065 0.000 1.123 203 C CA -0.380 58.567 59.018 -0.119 0.000 1.326 203 C CB 0.547 28.241 27.740 -0.077 0.000 1.833 203 C HN 0.736 nan 8.230 nan 0.000 0.473 204 V N 5.909 125.761 119.914 -0.102 0.000 2.370 204 V HA 0.443 4.563 4.120 0.001 0.000 0.279 204 V C -0.549 175.497 176.094 -0.081 0.000 1.029 204 V CA -0.077 62.211 62.300 -0.020 0.000 0.870 204 V CB 0.973 32.804 31.823 0.013 0.000 0.984 204 V HN 0.892 nan 8.190 nan 0.000 0.451 205 W N 3.616 124.843 121.300 -0.120 0.000 2.433 205 W HA 0.489 5.149 4.660 0.001 0.000 0.315 205 W C 0.480 176.917 176.519 -0.137 0.000 1.087 205 W CA -0.670 56.590 57.345 -0.143 0.000 1.205 205 W CB 1.153 30.478 29.460 -0.225 0.000 1.288 205 W HN 0.394 nan 8.180 nan 0.000 0.504 206 K N 2.515 122.919 120.400 0.006 0.000 2.451 206 K HA 0.436 4.756 4.320 0.001 0.000 0.280 206 K C -0.208 176.291 176.600 -0.168 0.000 1.020 206 K CA 0.326 56.426 56.287 -0.311 0.000 1.008 206 K CB 0.286 32.451 32.500 -0.559 0.000 0.917 206 K HN 0.597 nan 8.250 nan 0.000 0.478 207 A N 3.511 126.208 122.820 -0.205 0.000 2.566 207 A HA 0.364 4.684 4.320 0.001 0.000 0.292 207 A C -1.642 175.981 177.584 0.065 0.000 1.112 207 A CA -0.764 51.240 52.037 -0.055 0.000 0.707 207 A CB 1.717 20.685 19.000 -0.053 0.000 1.302 207 A HN 0.697 nan 8.150 nan 0.000 0.409 208 Q N -0.012 119.853 119.800 0.108 0.000 2.316 208 Q HA 0.674 5.015 4.340 0.001 0.000 0.264 208 Q C -1.929 174.092 176.000 0.035 0.000 0.987 208 Q CA -0.435 55.447 55.803 0.132 0.000 0.852 208 Q CB 1.607 30.412 28.738 0.111 0.000 1.287 208 Q HN 0.766 nan 8.270 nan 0.000 0.448 209 L N 5.744 126.962 121.223 -0.008 0.000 2.441 209 L HA 0.533 4.873 4.340 0.001 0.000 0.270 209 L C -0.521 176.320 176.870 -0.049 0.000 0.973 209 L CA -0.274 54.557 54.840 -0.014 0.000 0.842 209 L CB 1.296 43.356 42.059 0.002 0.000 1.239 209 L HN 1.062 nan 8.230 nan 0.000 0.406 210 M N 3.384 122.958 119.600 -0.044 0.000 7.319 210 M HA -0.343 4.137 4.480 0.001 0.000 0.311 210 M C 0.028 176.270 176.300 -0.098 0.000 0.480 210 M CA 2.015 57.281 55.300 -0.057 0.000 1.311 210 M CB -0.803 31.769 32.600 -0.048 0.000 0.421 210 M HN 0.768 nan 8.290 nan 0.000 0.799 211 N N 1.170 119.803 118.700 -0.112 0.000 2.295 211 N HA 0.208 4.949 4.740 0.001 0.000 0.221 211 N C -0.936 174.420 175.510 -0.256 0.000 1.129 211 N CA 0.357 53.312 53.050 -0.158 0.000 0.836 211 N CB -0.053 38.367 38.487 -0.112 0.000 1.040 211 N HN 0.416 nan 8.380 nan 0.000 0.494 212 D N -0.787 119.446 120.400 -0.278 0.000 2.592 212 D HA 0.346 4.986 4.640 0.001 0.000 0.263 212 D C -0.704 175.386 176.300 -0.350 0.000 1.132 212 D CA -0.421 53.380 54.000 -0.333 0.000 0.996 212 D CB 1.698 42.422 40.800 -0.127 0.000 1.442 212 D HN -0.163 nan 8.370 nan 0.000 0.486 213 F N 0.314 120.248 119.950 -0.025 0.000 2.470 213 F HA 0.572 5.100 4.527 0.000 0.000 0.329 213 F C 0.347 176.134 175.800 -0.021 0.000 1.072 213 F CA -0.766 57.180 58.000 -0.089 0.000 0.989 213 F CB 1.931 40.817 39.000 -0.190 0.000 1.193 213 F HN -0.146 nan 8.300 nan 0.000 0.481 214 V N 1.122 121.130 119.914 0.157 0.000 3.078 214 V HA 0.755 4.875 4.120 0.001 0.000 0.311 214 V C -0.955 175.213 176.094 0.124 0.000 1.138 214 V CA -0.932 61.444 62.300 0.127 0.000 1.007 214 V CB 2.226 34.084 31.823 0.058 0.000 1.045 214 V HN 0.865 nan 8.190 nan 0.000 0.432 215 A N 2.966 125.898 122.820 0.186 0.000 2.301 215 A HA 0.801 5.122 4.320 0.001 0.000 0.312 215 A C -0.955 176.691 177.584 0.102 0.000 1.182 215 A CA -0.404 51.754 52.037 0.201 0.000 0.826 215 A CB 1.209 20.361 19.000 0.252 0.000 1.134 215 A HN 0.731 nan 8.150 nan 0.000 0.501 216 V N 3.321 123.273 119.914 0.063 0.000 2.407 216 V HA 0.332 4.452 4.120 0.001 0.000 0.291 216 V C 0.082 176.178 176.094 0.003 0.000 1.018 216 V CA -0.571 61.716 62.300 -0.022 0.000 0.842 216 V CB 1.407 33.074 31.823 -0.259 0.000 0.996 216 V HN 0.920 nan 8.190 nan 0.000 0.426 217 K N 5.526 125.974 120.400 0.080 0.000 2.211 217 K HA 0.650 4.971 4.320 0.001 0.000 0.275 217 K C -1.004 175.616 176.600 0.033 0.000 1.024 217 K CA -0.497 55.815 56.287 0.043 0.000 0.887 217 K CB 0.974 33.525 32.500 0.085 0.000 1.084 217 K HN 0.626 nan 8.250 nan 0.000 0.463 218 I N 5.143 125.655 120.570 -0.097 0.000 2.362 218 I HA 0.285 4.456 4.170 0.001 0.000 0.289 218 I C -0.820 175.291 176.117 -0.011 0.000 0.994 218 I CA -0.862 60.434 61.300 -0.007 0.000 1.158 218 I CB 0.850 38.778 38.000 -0.120 0.000 1.315 218 I HN 0.438 nan 8.210 nan 0.000 0.451 219 F N 7.099 127.156 119.950 0.177 0.000 2.420 219 F HA 0.471 4.998 4.527 0.001 0.000 0.342 219 F C -1.959 173.911 175.800 0.116 0.000 1.113 219 F CA -2.576 55.527 58.000 0.171 0.000 1.059 219 F CB 0.778 39.898 39.000 0.201 0.000 1.128 219 F HN 0.236 nan 8.300 nan 0.000 0.475 220 P HA -0.010 nan 4.420 nan 0.000 0.270 220 P C 0.945 178.339 177.300 0.157 0.000 1.223 220 P CA -0.292 62.914 63.100 0.177 0.000 0.785 220 P CB 0.914 32.700 31.700 0.143 0.000 0.923 221 L N 1.374 122.649 121.223 0.086 0.000 2.187 221 L HA -0.229 4.112 4.340 0.001 0.000 0.213 221 L C 2.126 179.032 176.870 0.060 0.000 1.100 221 L CA 1.730 56.595 54.840 0.040 0.000 0.765 221 L CB -1.048 41.016 42.059 0.008 0.000 0.904 221 L HN 0.342 nan 8.230 nan 0.000 0.437 222 Q N -1.167 118.685 119.800 0.085 0.000 2.364 222 Q HA -0.172 4.168 4.340 0.001 0.000 0.207 222 Q C 0.368 176.437 176.000 0.114 0.000 0.970 222 Q CA 1.537 57.393 55.803 0.088 0.000 0.888 222 Q CB -0.532 28.257 28.738 0.086 0.000 0.951 222 Q HN 0.628 nan 8.270 nan 0.000 0.469 223 D N 1.007 121.509 120.400 0.170 0.000 2.427 223 D HA 0.079 4.719 4.640 0.001 0.000 0.224 223 D C 1.031 177.434 176.300 0.172 0.000 1.157 223 D CA -0.153 53.980 54.000 0.222 0.000 0.828 223 D CB 0.344 41.399 40.800 0.426 0.000 0.974 223 D HN 0.303 nan 8.370 nan 0.000 0.498 224 K N 0.649 121.112 120.400 0.105 0.000 2.113 224 K HA -0.180 4.140 4.320 0.001 0.000 0.208 224 K C 1.648 178.333 176.600 0.142 0.000 1.047 224 K CA 1.123 57.474 56.287 0.107 0.000 0.928 224 K CB 0.342 32.887 32.500 0.076 0.000 0.716 224 K HN -0.026 nan 8.250 nan 0.000 0.446 225 Q N -0.255 119.579 119.800 0.057 0.000 2.389 225 Q HA 0.030 4.371 4.340 0.001 0.000 0.204 225 Q C 1.914 177.878 176.000 -0.060 0.000 0.944 225 Q CA 0.734 56.541 55.803 0.007 0.000 0.908 225 Q CB 0.414 29.145 28.738 -0.012 0.000 1.002 225 Q HN 0.208 nan 8.270 nan 0.000 0.493 226 S N -0.165 115.486 115.700 -0.080 0.000 2.406 226 S HA -0.107 4.363 4.470 0.001 0.000 0.228 226 S C 1.301 175.814 174.600 -0.145 0.000 1.020 226 S CA 0.549 58.689 58.200 -0.099 0.000 0.965 226 S CB -0.187 63.005 63.200 -0.014 0.000 0.798 226 S HN 0.592 nan 8.310 nan 0.000 0.488 227 W N 2.272 123.207 121.300 -0.609 0.000 2.453 227 W HA -0.037 4.624 4.660 0.000 0.000 0.289 227 W C 2.217 178.541 176.519 -0.326 0.000 1.215 227 W CA 1.165 57.969 57.345 -0.901 0.000 1.297 227 W CB -0.375 28.472 29.460 -1.021 0.000 1.113 227 W HN 0.188 nan 8.180 nan 0.000 0.551 228 Q N 0.563 120.252 119.800 -0.185 0.000 2.083 228 Q HA -0.108 4.233 4.340 0.001 0.000 0.198 228 Q C 2.295 178.132 176.000 -0.271 0.000 0.969 228 Q CA 2.593 58.201 55.803 -0.325 0.000 0.838 228 Q CB -0.634 28.053 28.738 -0.085 0.000 0.900 228 Q HN 0.190 nan 8.270 nan 0.000 0.436 229 S N 0.643 116.238 115.700 -0.175 0.000 2.369 229 S HA -0.285 4.185 4.470 0.001 0.000 0.225 229 S C 1.807 176.307 174.600 -0.168 0.000 1.043 229 S CA 1.686 59.795 58.200 -0.152 0.000 1.074 229 S CB -0.534 62.599 63.200 -0.110 0.000 0.962 229 S HN 0.598 nan 8.310 nan 0.000 0.433 230 E N 1.253 121.377 120.200 -0.127 0.000 2.085 230 E HA -0.238 4.113 4.350 0.001 0.000 0.194 230 E C 2.279 178.815 176.600 -0.107 0.000 0.994 230 E CA 1.310 57.678 56.400 -0.054 0.000 0.801 230 E CB -0.099 29.700 29.700 0.165 0.000 0.743 230 E HN 0.594 nan 8.360 nan 0.000 0.453 231 R N 0.285 120.629 120.500 -0.261 0.000 2.092 231 R HA -0.105 4.236 4.340 0.001 0.000 0.231 231 R C 1.912 177.977 176.300 -0.392 0.000 1.119 231 R CA 1.547 57.408 56.100 -0.398 0.000 0.970 231 R CB -0.408 29.537 30.300 -0.591 0.000 0.864 231 R HN 0.195 nan 8.270 nan 0.000 0.440 232 E N 1.133 121.144 120.200 -0.316 0.000 2.051 232 E HA -0.147 4.204 4.350 0.001 0.000 0.192 232 E C 2.121 178.565 176.600 -0.259 0.000 0.991 232 E CA 1.263 57.511 56.400 -0.254 0.000 0.799 232 E CB -0.084 29.494 29.700 -0.204 0.000 0.748 232 E HN 0.240 nan 8.360 nan 0.000 0.449 233 I N 0.720 121.119 120.570 -0.285 0.000 2.118 233 I HA -0.284 3.886 4.170 0.001 0.000 0.241 233 I C 2.291 178.170 176.117 -0.397 0.000 1.070 233 I CA 1.663 62.745 61.300 -0.364 0.000 1.327 233 I CB -1.196 36.545 38.000 -0.431 0.000 1.034 233 I HN 0.111 nan 8.210 nan 0.000 0.405 234 F N 1.185 120.923 119.950 -0.352 0.000 2.250 234 F HA -0.183 4.344 4.527 0.000 0.000 0.301 234 F C 2.511 178.079 175.800 -0.387 0.000 1.077 234 F CA 1.185 58.946 58.000 -0.398 0.000 1.348 234 F CB -0.314 38.249 39.000 -0.727 0.000 1.040 234 F HN 0.028 nan 8.300 nan 0.000 0.509 235 S N -1.378 114.180 115.700 -0.236 0.000 2.593 235 S HA 0.002 4.472 4.470 0.001 0.000 0.217 235 S C 0.744 175.265 174.600 -0.131 0.000 0.966 235 S CA 0.101 58.197 58.200 -0.173 0.000 0.914 235 S CB -0.370 62.714 63.200 -0.195 0.000 0.776 235 S HN 0.092 nan 8.310 nan 0.000 0.523 236 T N 4.639 119.097 114.554 -0.160 0.000 2.930 236 T HA 0.166 4.517 4.350 0.001 0.000 0.306 236 T C -2.428 172.189 174.700 -0.139 0.000 1.045 236 T CA -0.840 61.160 62.100 -0.166 0.000 1.134 236 T CB 0.317 69.058 68.868 -0.211 0.000 0.961 236 T HN 0.033 nan 8.240 nan 0.000 0.545 237 P HA 0.144 nan 4.420 nan 0.000 0.265 237 P C 0.951 178.177 177.300 -0.124 0.000 1.187 237 P CA 0.807 63.806 63.100 -0.167 0.000 0.766 237 P CB 0.172 31.716 31.700 -0.260 0.000 0.820 238 G N 2.420 111.186 108.800 -0.057 0.000 2.179 238 G HA2 -0.289 3.671 3.960 0.001 0.000 0.257 238 G HA3 -0.289 3.671 3.960 0.001 0.000 0.257 238 G C 0.739 175.737 174.900 0.163 0.000 1.010 238 G CA 0.046 45.179 45.100 0.056 0.000 0.736 238 G HN 0.442 nan 8.290 nan 0.000 0.513 239 M N -0.653 119.008 119.600 0.101 0.000 2.502 239 M HA 0.148 4.629 4.480 0.001 0.000 0.243 239 M C 1.261 177.690 176.300 0.216 0.000 1.130 239 M CA 0.415 55.802 55.300 0.144 0.000 1.055 239 M CB -0.122 32.500 32.600 0.036 0.000 1.457 239 M HN 0.215 nan 8.290 nan 0.000 0.488 240 K N 2.128 122.633 120.400 0.175 0.000 2.163 240 K HA -0.050 4.270 4.320 0.001 0.000 0.267 240 K C -0.271 176.423 176.600 0.157 0.000 1.098 240 K CA 0.421 56.802 56.287 0.157 0.000 1.062 240 K CB -0.274 32.286 32.500 0.099 0.000 1.033 240 K HN 0.123 nan 8.250 nan 0.000 0.396 241 H N 1.002 120.090 119.070 0.030 0.000 2.996 241 H HA 0.051 4.607 4.556 0.001 0.000 0.368 241 H C -0.047 175.266 175.328 -0.025 0.000 1.185 241 H CA -0.486 55.505 56.048 -0.094 0.000 1.160 241 H CB 1.819 31.390 29.762 -0.317 0.000 1.820 241 H HN 0.539 nan 8.280 nan 0.000 0.547 242 E N 2.345 122.335 120.200 -0.349 0.000 2.204 242 E HA -0.107 4.244 4.350 0.001 0.000 0.194 242 E C -0.190 176.430 176.600 0.035 0.000 0.989 242 E CA 0.886 57.191 56.400 -0.158 0.000 0.824 242 E CB 0.277 29.794 29.700 -0.306 0.000 0.756 242 E HN 0.590 nan 8.360 nan 0.000 0.477 243 N N -0.322 118.537 118.700 0.265 0.000 2.234 243 N HA 0.212 4.952 4.740 0.001 0.000 0.227 243 N C -0.885 174.794 175.510 0.281 0.000 1.151 243 N CA -0.186 53.006 53.050 0.236 0.000 0.865 243 N CB 0.883 39.513 38.487 0.239 0.000 1.066 243 N HN -0.045 nan 8.380 nan 0.000 0.515 244 L N 0.877 122.310 121.223 0.351 0.000 2.362 244 L HA 0.470 4.810 4.340 0.001 0.000 0.271 244 L C -0.367 176.759 176.870 0.427 0.000 1.002 244 L CA -1.295 53.786 54.840 0.402 0.000 0.818 244 L CB 1.651 43.941 42.059 0.385 0.000 1.298 244 L HN 0.013 nan 8.230 nan 0.000 0.420 245 L N 2.681 124.214 121.223 0.517 0.000 2.559 245 L HA 0.015 4.355 4.340 0.001 0.000 0.282 245 L C 0.009 177.198 176.870 0.531 0.000 1.232 245 L CA 0.672 55.810 54.840 0.496 0.000 0.885 245 L CB 0.177 42.534 42.059 0.497 0.000 1.131 245 L HN 0.491 nan 8.230 nan 0.000 0.498 246 Q N 4.009 124.013 119.800 0.340 0.000 2.243 246 Q HA 0.265 4.605 4.340 0.001 0.000 0.252 246 Q C -1.003 175.027 176.000 0.050 0.000 0.909 246 Q CA -0.209 55.731 55.803 0.228 0.000 0.922 246 Q CB 1.352 30.188 28.738 0.162 0.000 1.215 246 Q HN 0.570 nan 8.270 nan 0.000 0.427 247 F N 3.080 122.909 119.950 -0.202 0.000 2.404 247 F HA 0.287 4.814 4.527 0.000 0.000 0.345 247 F C 0.475 176.186 175.800 -0.148 0.000 1.110 247 F CA -0.132 57.627 58.000 -0.401 0.000 1.130 247 F CB 0.532 39.196 39.000 -0.560 0.000 1.129 247 F HN 0.553 nan 8.300 nan 0.000 0.500 248 I N 3.424 123.522 120.570 -0.787 0.000 3.132 248 I HA 0.420 4.590 4.170 0.001 0.000 0.255 248 I C 0.388 176.029 176.117 -0.792 0.000 1.118 248 I CA 0.129 61.087 61.300 -0.570 0.000 1.463 248 I CB -0.023 37.801 38.000 -0.293 0.000 1.356 248 I HN 0.609 nan 8.210 nan 0.000 0.463 249 A N 0.673 122.862 122.820 -1.052 0.000 2.605 249 A HA 0.819 5.139 4.320 0.001 0.000 0.294 249 A C -1.629 175.806 177.584 -0.247 0.000 1.062 249 A CA -0.306 51.399 52.037 -0.553 0.000 0.682 249 A CB 1.194 20.091 19.000 -0.171 0.000 1.278 249 A HN 0.156 nan 8.150 nan 0.000 0.410 250 A N 1.262 124.209 122.820 0.211 0.000 2.330 250 A HA 0.767 5.087 4.320 0.001 0.000 0.313 250 A C -0.864 177.011 177.584 0.485 0.000 1.124 250 A CA -0.412 51.920 52.037 0.491 0.000 0.774 250 A CB 0.866 20.102 19.000 0.393 0.000 1.198 250 A HN 0.611 nan 8.150 nan 0.000 0.465 251 E N 1.863 122.380 120.200 0.530 0.000 2.218 251 E HA 0.214 4.564 4.350 0.001 0.000 0.263 251 E C -1.115 175.546 176.600 0.101 0.000 0.879 251 E CA -0.605 55.951 56.400 0.260 0.000 0.762 251 E CB 2.139 31.893 29.700 0.091 0.000 1.166 251 E HN 0.588 nan 8.360 nan 0.000 0.415 252 K N 2.741 123.157 120.400 0.027 0.000 2.278 252 K HA 0.102 4.422 4.320 0.001 0.000 0.237 252 K C 0.123 176.592 176.600 -0.219 0.000 1.229 252 K CA -0.226 55.944 56.287 -0.195 0.000 1.155 252 K CB 0.085 32.555 32.500 -0.049 0.000 1.590 252 K HN 0.039 nan 8.250 nan 0.000 0.290 253 R N 2.244 122.537 120.500 -0.345 0.000 3.491 253 R HA 0.003 4.343 4.340 0.001 0.000 0.186 253 R C 0.400 176.539 176.300 -0.269 0.000 1.737 253 R CA 0.640 56.497 56.100 -0.406 0.000 1.218 253 R CB -0.835 29.015 30.300 -0.750 0.000 1.301 253 R HN 0.913 nan 8.270 nan 0.000 0.703 254 G N -0.541 108.148 108.800 -0.186 0.000 2.306 254 G HA2 -0.183 3.777 3.960 0.001 0.000 0.262 254 G HA3 -0.183 3.777 3.960 0.001 0.000 0.262 254 G C -0.865 173.978 174.900 -0.095 0.000 1.263 254 G CA -0.238 44.784 45.100 -0.131 0.000 1.088 254 G HN 0.381 nan 8.290 nan 0.000 0.489 255 S N -1.240 114.416 115.700 -0.073 0.000 2.823 255 S HA 0.633 5.104 4.470 0.001 0.000 0.316 255 S C 0.376 174.949 174.600 -0.044 0.000 1.116 255 S CA 0.043 58.212 58.200 -0.051 0.000 0.911 255 S CB 0.565 63.742 63.200 -0.038 0.000 1.276 255 S HN 0.903 nan 8.310 nan 0.000 0.565 256 N N 1.123 119.805 118.700 -0.031 0.000 2.132 256 N HA 0.004 4.744 4.740 0.001 0.000 0.280 256 N C 0.201 175.698 175.510 -0.022 0.000 1.318 256 N CA 0.581 53.617 53.050 -0.024 0.000 0.822 256 N CB -0.260 38.217 38.487 -0.016 0.000 1.058 256 N HN 0.576 nan 8.380 nan 0.000 0.489 257 L N 0.260 121.472 121.223 -0.018 0.000 5.188 257 L HA -0.363 3.978 4.340 0.001 0.000 0.431 257 L C 1.182 178.044 176.870 -0.014 0.000 1.017 257 L CA 1.489 56.323 54.840 -0.011 0.000 1.195 257 L CB -1.088 40.968 42.059 -0.005 0.000 1.860 257 L HN 0.694 nan 8.230 nan 0.000 0.691 258 E N -0.739 119.444 120.200 -0.028 0.000 2.244 258 E HA 0.158 4.509 4.350 0.001 0.000 0.196 258 E C 0.596 177.163 176.600 -0.055 0.000 0.939 258 E CA 0.336 56.714 56.400 -0.037 0.000 0.884 258 E CB 0.409 30.082 29.700 -0.045 0.000 0.850 258 E HN 0.223 nan 8.360 nan 0.000 0.481 259 V N 3.415 123.285 119.914 -0.073 0.000 2.982 259 V HA -0.218 3.903 4.120 0.001 0.000 0.290 259 V C 0.181 176.223 176.094 -0.086 0.000 1.233 259 V CA 1.224 63.460 62.300 -0.106 0.000 1.336 259 V CB -0.735 31.025 31.823 -0.105 0.000 0.813 259 V HN 0.174 nan 8.190 nan 0.000 0.460 260 E N 4.168 124.298 120.200 -0.118 0.000 2.263 260 E HA 0.737 5.088 4.350 0.001 0.000 0.264 260 E C -0.980 175.540 176.600 -0.133 0.000 0.923 260 E CA -1.084 55.307 56.400 -0.016 0.000 0.802 260 E CB 2.244 32.067 29.700 0.206 0.000 1.228 260 E HN 0.557 nan 8.360 nan 0.000 0.417 261 L N 2.016 123.221 121.223 -0.030 0.000 2.316 261 L HA 0.422 4.762 4.340 0.001 0.000 0.280 261 L C -1.269 175.761 176.870 0.266 0.000 1.006 261 L CA -0.664 53.912 54.840 -0.441 0.000 0.836 261 L CB 0.648 42.069 42.059 -1.064 0.000 1.221 261 L HN 0.328 nan 8.230 nan 0.000 0.418 262 W N 4.593 125.889 121.300 -0.006 0.000 2.520 262 W HA 0.644 5.305 4.660 0.001 0.000 0.323 262 W C -0.677 176.187 176.519 0.574 0.000 1.062 262 W CA -1.030 56.482 57.345 0.279 0.000 1.215 262 W CB 1.508 31.049 29.460 0.135 0.000 1.340 262 W HN 0.194 nan 8.180 nan 0.000 0.516 263 L N 4.629 126.309 121.223 0.761 0.000 2.372 263 L HA 0.547 4.888 4.340 0.001 0.000 0.273 263 L C -1.060 176.013 176.870 0.337 0.000 0.989 263 L CA -0.469 54.757 54.840 0.642 0.000 0.841 263 L CB 0.745 43.292 42.059 0.812 0.000 1.225 263 L HN 0.248 nan 8.230 nan 0.000 0.414 264 I N 4.519 125.163 120.570 0.123 0.000 2.321 264 I HA 0.494 4.664 4.170 0.001 0.000 0.291 264 I C 0.538 176.556 176.117 -0.165 0.000 0.998 264 I CA 0.100 61.398 61.300 -0.003 0.000 1.227 264 I CB 1.682 39.683 38.000 0.002 0.000 1.368 264 I HN 0.669 nan 8.210 nan 0.000 0.466 265 T N 2.546 117.063 114.554 -0.060 0.000 2.773 265 T HA 0.864 5.215 4.350 0.001 0.000 0.278 265 T C -0.040 174.647 174.700 -0.023 0.000 1.011 265 T CA -0.968 61.077 62.100 -0.092 0.000 1.014 265 T CB 1.245 70.099 68.868 -0.025 0.000 1.293 265 T HN 0.528 nan 8.240 nan 0.000 0.554 266 A N 0.308 123.111 122.820 -0.029 0.000 2.366 266 A HA 0.605 4.925 4.320 0.001 0.000 0.249 266 A C -0.661 176.855 177.584 -0.113 0.000 1.084 266 A CA -0.551 51.436 52.037 -0.083 0.000 0.794 266 A CB -0.332 18.577 19.000 -0.153 0.000 1.034 266 A HN 0.806 nan 8.150 nan 0.000 0.491 267 F N 1.484 121.272 119.950 -0.269 0.000 2.469 267 F HA 0.531 5.058 4.527 0.001 0.000 0.332 267 F C -0.383 175.209 175.800 -0.346 0.000 1.103 267 F CA -0.543 57.342 58.000 -0.191 0.000 0.979 267 F CB 1.392 40.370 39.000 -0.037 0.000 1.137 267 F HN 0.560 nan 8.300 nan 0.000 0.463 268 H N 5.201 123.794 119.070 -0.796 0.000 2.786 268 H HA 0.138 4.694 4.556 0.001 0.000 0.284 268 H C 0.311 175.151 175.328 -0.814 0.000 1.104 268 H CA -0.303 55.417 56.048 -0.546 0.000 1.339 268 H CB 1.258 30.855 29.762 -0.275 0.000 1.427 268 H HN 0.785 nan 8.280 nan 0.000 0.497 269 D N 2.815 122.891 120.400 -0.539 0.000 2.149 269 D HA -0.175 4.465 4.640 0.001 0.000 0.198 269 D C 1.971 178.182 176.300 -0.147 0.000 0.990 269 D CA 1.302 55.115 54.000 -0.312 0.000 0.839 269 D CB 0.457 41.307 40.800 0.084 0.000 0.948 269 D HN 0.393 nan 8.370 nan 0.000 0.460 270 K N -0.756 119.590 120.400 -0.090 0.000 2.283 270 K HA 0.076 4.397 4.320 0.001 0.000 0.202 270 K C 0.988 177.570 176.600 -0.030 0.000 1.048 270 K CA 0.859 57.134 56.287 -0.020 0.000 0.948 270 K CB -0.093 32.390 32.500 -0.029 0.000 0.742 270 K HN 0.284 nan 8.250 nan 0.000 0.458 271 G N -0.135 108.599 108.800 -0.111 0.000 2.545 271 G HA2 -0.267 3.693 3.960 0.001 0.000 0.216 271 G HA3 -0.267 3.693 3.960 0.001 0.000 0.216 271 G C -0.493 174.357 174.900 -0.084 0.000 1.314 271 G CA -0.206 44.836 45.100 -0.096 0.000 0.906 271 G HN 0.521 nan 8.290 nan 0.000 0.563 272 S N -0.767 114.895 115.700 -0.063 0.000 2.672 272 S HA 0.631 5.101 4.470 0.001 0.000 0.276 272 S C 1.364 175.930 174.600 -0.058 0.000 1.207 272 S CA 0.310 58.464 58.200 -0.078 0.000 1.002 272 S CB 1.815 64.971 63.200 -0.073 0.000 0.998 272 S HN 1.875 nan 8.310 nan 0.000 0.542 273 L N 1.581 122.750 121.223 -0.090 0.000 2.046 273 L HA 0.005 4.345 4.340 0.001 0.000 0.208 273 L C 2.756 179.584 176.870 -0.069 0.000 1.077 273 L CA 2.623 57.416 54.840 -0.077 0.000 0.747 273 L CB -1.383 40.614 42.059 -0.103 0.000 0.896 273 L HN 1.070 nan 8.230 nan 0.000 0.432 274 T N -1.273 113.241 114.554 -0.066 0.000 2.652 274 T HA -0.204 4.146 4.350 0.001 0.000 0.267 274 T C 1.619 176.168 174.700 -0.250 0.000 1.039 274 T CA 1.939 63.979 62.100 -0.100 0.000 1.153 274 T CB -0.333 68.575 68.868 0.067 0.000 0.863 274 T HN 0.464 nan 8.240 nan 0.000 0.428 275 D N -0.645 119.682 120.400 -0.121 0.000 2.144 275 D HA -0.043 4.598 4.640 0.001 0.000 0.200 275 D C 1.660 177.874 176.300 -0.143 0.000 0.978 275 D CA 0.886 54.813 54.000 -0.122 0.000 0.833 275 D CB -0.505 40.260 40.800 -0.059 0.000 0.961 275 D HN 0.545 nan 8.370 nan 0.000 0.470 276 Y N 1.529 121.707 120.300 -0.203 0.000 2.097 276 Y HA -0.172 4.378 4.550 0.001 0.000 0.282 276 Y C 2.288 178.046 175.900 -0.237 0.000 1.152 276 Y CA 1.368 59.359 58.100 -0.182 0.000 1.136 276 Y CB -0.349 38.021 38.460 -0.150 0.000 0.975 276 Y HN -0.112 nan 8.280 nan 0.000 0.498 277 L N 0.462 121.590 121.223 -0.158 0.000 2.187 277 L HA -0.274 4.066 4.340 0.001 0.000 0.213 277 L C 2.564 179.111 176.870 -0.538 0.000 1.100 277 L CA 1.805 56.427 54.840 -0.363 0.000 0.765 277 L CB -0.575 41.192 42.059 -0.487 0.000 0.904 277 L HN 0.245 nan 8.230 nan 0.000 0.437 278 K N 0.345 120.386 120.400 -0.598 0.000 2.097 278 K HA -0.119 4.201 4.320 0.001 0.000 0.205 278 K C 1.703 178.190 176.600 -0.187 0.000 1.050 278 K CA 1.479 57.549 56.287 -0.361 0.000 0.938 278 K CB -0.072 32.302 32.500 -0.211 0.000 0.718 278 K HN 0.335 nan 8.250 nan 0.000 0.442 279 G N 0.207 108.858 108.800 -0.249 0.000 3.159 279 G HA2 0.116 4.077 3.960 0.001 0.000 0.232 279 G HA3 0.116 4.077 3.960 0.001 0.000 0.232 279 G C -0.228 174.489 174.900 -0.304 0.000 1.116 279 G CA -0.404 44.558 45.100 -0.231 0.000 0.767 279 G HN 0.172 nan 8.290 nan 0.000 0.547 280 N N -0.072 118.394 118.700 -0.390 0.000 2.242 280 N HA 0.413 5.154 4.740 0.001 0.000 0.292 280 N C -1.540 173.849 175.510 -0.202 0.000 1.125 280 N CA -0.505 52.323 53.050 -0.369 0.000 0.783 280 N CB 2.600 40.652 38.487 -0.725 0.000 1.558 280 N HN -0.119 nan 8.380 nan 0.000 0.472 281 I N 2.428 122.928 120.570 -0.116 0.000 2.359 281 I HA 0.374 4.544 4.170 0.001 0.000 0.294 281 I C 0.447 176.552 176.117 -0.020 0.000 0.987 281 I CA -0.754 60.512 61.300 -0.057 0.000 1.225 281 I CB 1.060 39.035 38.000 -0.042 0.000 1.366 281 I HN 0.384 nan 8.210 nan 0.000 0.466 282 I N 2.777 123.346 120.570 -0.001 0.000 2.577 282 I HA 0.538 4.709 4.170 0.001 0.000 0.305 282 I C 0.469 176.589 176.117 0.005 0.000 0.986 282 I CA -0.460 60.859 61.300 0.032 0.000 1.189 282 I CB 1.799 39.825 38.000 0.044 0.000 1.355 282 I HN 0.538 nan 8.210 nan 0.000 0.476 283 T N 1.198 115.766 114.554 0.023 0.000 2.828 283 T HA 0.014 4.365 4.350 0.001 0.000 0.290 283 T C 0.878 175.611 174.700 0.056 0.000 1.019 283 T CA -0.429 61.700 62.100 0.049 0.000 1.031 283 T CB 1.167 70.069 68.868 0.056 0.000 1.001 283 T HN 0.971 nan 8.240 nan 0.000 0.531 284 W N 2.327 123.588 121.300 -0.066 0.000 2.355 284 W HA -0.203 4.457 4.660 0.001 0.000 0.309 284 W C 1.324 177.828 176.519 -0.025 0.000 1.206 284 W CA 1.475 58.780 57.345 -0.067 0.000 1.284 284 W CB -0.672 28.767 29.460 -0.035 0.000 1.145 284 W HN 0.665 nan 8.180 nan 0.000 0.502 285 N N 0.994 119.650 118.700 -0.073 0.000 2.205 285 N HA -0.191 4.549 4.740 0.001 0.000 0.186 285 N C 1.521 176.918 175.510 -0.189 0.000 1.015 285 N CA 1.995 54.930 53.050 -0.191 0.000 0.862 285 N CB -0.648 37.821 38.487 -0.030 0.000 0.986 285 N HN 0.478 nan 8.380 nan 0.000 0.429 286 E N 0.742 120.870 120.200 -0.119 0.000 2.046 286 E HA -0.057 4.294 4.350 0.001 0.000 0.190 286 E C 2.062 178.583 176.600 -0.132 0.000 0.982 286 E CA 0.238 56.592 56.400 -0.077 0.000 0.800 286 E CB -0.120 29.557 29.700 -0.038 0.000 0.756 286 E HN 0.216 nan 8.360 nan 0.000 0.449 287 L N 0.783 121.884 121.223 -0.204 0.000 1.990 287 L HA -0.280 4.060 4.340 0.001 0.000 0.213 287 L C 2.347 179.012 176.870 -0.341 0.000 1.072 287 L CA 1.512 56.195 54.840 -0.262 0.000 0.755 287 L CB -0.276 41.599 42.059 -0.305 0.000 0.889 287 L HN 0.293 nan 8.230 nan 0.000 0.432 288 C N -0.747 118.239 119.300 -0.524 0.000 2.413 288 C HA -0.207 4.253 4.460 0.001 0.000 0.277 288 C C 2.638 177.485 174.990 -0.239 0.000 1.265 288 C CA 1.171 59.897 59.018 -0.487 0.000 1.752 288 C CB -1.291 26.043 27.740 -0.676 0.000 1.998 288 C HN 0.730 nan 8.230 nan 0.000 0.489 289 H N 0.112 119.024 119.070 -0.263 0.000 2.357 289 H HA -0.067 4.489 4.556 0.001 0.000 0.301 289 H C 1.932 177.165 175.328 -0.158 0.000 1.082 289 H CA 2.098 58.038 56.048 -0.181 0.000 1.342 289 H CB -0.194 29.472 29.762 -0.161 0.000 1.389 289 H HN 0.194 nan 8.280 nan 0.000 0.511 290 V N 0.634 120.374 119.914 -0.289 0.000 2.427 290 V HA -0.180 3.941 4.120 0.001 0.000 0.248 290 V C 2.692 178.652 176.094 -0.223 0.000 1.051 290 V CA 1.479 63.603 62.300 -0.292 0.000 1.048 290 V CB -1.144 30.556 31.823 -0.205 0.000 0.666 290 V HN 0.665 nan 8.190 nan 0.000 0.456 291 A N -0.171 122.532 122.820 -0.195 0.000 1.873 291 A HA -0.252 4.068 4.320 0.001 0.000 0.215 291 A C 2.282 179.784 177.584 -0.135 0.000 1.186 291 A CA 1.943 53.893 52.037 -0.145 0.000 0.616 291 A CB -0.473 18.432 19.000 -0.158 0.000 0.823 291 A HN 0.595 nan 8.150 nan 0.000 0.442 292 E N -0.360 119.745 120.200 -0.159 0.000 2.106 292 E HA -0.156 4.195 4.350 0.001 0.000 0.192 292 E C 2.047 178.575 176.600 -0.120 0.000 0.984 292 E CA 1.757 58.084 56.400 -0.120 0.000 0.806 292 E CB -0.132 29.505 29.700 -0.105 0.000 0.750 292 E HN 0.736 nan 8.360 nan 0.000 0.458 293 T N -0.958 113.474 114.554 -0.204 0.000 2.904 293 T HA -0.104 4.246 4.350 0.001 0.000 0.267 293 T C 1.927 176.572 174.700 -0.090 0.000 1.059 293 T CA 0.971 62.966 62.100 -0.176 0.000 1.137 293 T CB -0.160 68.515 68.868 -0.321 0.000 0.879 293 T HN 0.127 nan 8.240 nan 0.000 0.467 294 M N 2.241 121.786 119.600 -0.092 0.000 2.156 294 M HA -0.077 4.403 4.480 0.001 0.000 0.264 294 M C 2.469 178.777 176.300 0.014 0.000 1.067 294 M CA 1.910 57.208 55.300 -0.004 0.000 1.131 294 M CB -0.213 32.402 32.600 0.025 0.000 1.368 294 M HN 0.494 nan 8.290 nan 0.000 0.416 295 S N -0.199 115.480 115.700 -0.035 0.000 2.428 295 S HA -0.134 4.336 4.470 0.001 0.000 0.230 295 S C 1.958 176.537 174.600 -0.034 0.000 1.014 295 S CA 0.892 59.054 58.200 -0.063 0.000 0.957 295 S CB -0.625 62.532 63.200 -0.072 0.000 0.784 295 S HN 0.578 nan 8.310 nan 0.000 0.499 296 R N 1.592 122.089 120.500 -0.004 0.000 2.080 296 R HA -0.057 4.284 4.340 0.001 0.000 0.236 296 R C 2.468 178.821 176.300 0.088 0.000 1.137 296 R CA 1.748 57.878 56.100 0.051 0.000 0.943 296 R CB -1.178 29.156 30.300 0.057 0.000 0.846 296 R HN 0.512 nan 8.270 nan 0.000 0.431 297 G N 1.123 109.978 108.800 0.091 0.000 2.402 297 G HA2 -0.246 3.714 3.960 0.001 0.000 0.216 297 G HA3 -0.246 3.714 3.960 0.001 0.000 0.216 297 G C 1.311 176.245 174.900 0.056 0.000 1.162 297 G CA 0.554 45.712 45.100 0.097 0.000 0.777 297 G HN 0.274 nan 8.290 nan 0.000 0.539 298 L N 1.155 122.380 121.223 0.003 0.000 1.994 298 L HA -0.020 4.321 4.340 0.001 0.000 0.208 298 L C 3.023 179.718 176.870 -0.291 0.000 1.071 298 L CA 2.389 57.115 54.840 -0.190 0.000 0.745 298 L CB -0.906 40.918 42.059 -0.392 0.000 0.892 298 L HN 0.261 nan 8.230 nan 0.000 0.431 299 S N -1.839 113.766 115.700 -0.158 0.000 2.387 299 S HA -0.324 4.146 4.470 0.001 0.000 0.230 299 S C 2.151 176.758 174.600 0.010 0.000 1.035 299 S CA 1.773 59.944 58.200 -0.048 0.000 1.014 299 S CB -0.649 62.559 63.200 0.012 0.000 0.836 299 S HN 0.599 nan 8.310 nan 0.000 0.466 300 Y N 1.263 121.495 120.300 -0.114 0.000 2.263 300 Y HA 0.121 4.672 4.550 0.001 0.000 0.292 300 Y C 2.075 177.893 175.900 -0.137 0.000 1.130 300 Y CA 1.205 59.209 58.100 -0.160 0.000 1.179 300 Y CB -0.367 37.853 38.460 -0.399 0.000 0.998 300 Y HN 0.250 nan 8.280 nan 0.000 0.532 301 L N -0.246 120.876 121.223 -0.168 0.000 1.989 301 L HA -0.331 4.010 4.340 0.001 0.000 0.211 301 L C 2.235 179.069 176.870 -0.061 0.000 1.071 301 L CA 2.235 56.990 54.840 -0.141 0.000 0.749 301 L CB -0.819 41.268 42.059 0.047 0.000 0.890 301 L HN 0.417 nan 8.230 nan 0.000 0.431 302 H N -0.929 118.075 119.070 -0.110 0.000 2.492 302 H HA -0.169 4.388 4.556 0.001 0.000 0.296 302 H C 0.688 175.932 175.328 -0.140 0.000 1.095 302 H CA 0.256 56.252 56.048 -0.087 0.000 1.281 302 H CB 0.121 29.852 29.762 -0.052 0.000 1.374 302 H HN 0.428 nan 8.280 nan 0.000 0.545 303 E N 1.685 121.812 120.200 -0.122 0.000 2.259 303 E HA -0.018 4.332 4.350 0.001 0.000 0.281 303 E C -0.618 175.863 176.600 -0.198 0.000 1.027 303 E CA -0.520 55.788 56.400 -0.153 0.000 0.838 303 E CB 0.732 30.317 29.700 -0.191 0.000 1.066 303 E HN 0.160 nan 8.360 nan 0.000 0.401 304 D N 3.960 124.300 120.400 -0.099 0.000 2.277 304 D HA 0.145 4.785 4.640 0.001 0.000 0.249 304 D C -1.134 175.159 176.300 -0.011 0.000 1.134 304 D CA -0.325 53.641 54.000 -0.057 0.000 0.863 304 D CB 1.142 41.965 40.800 0.038 0.000 1.143 304 D HN 0.119 nan 8.370 nan 0.000 0.458 305 V N 7.193 127.094 119.914 -0.023 0.000 2.326 305 V HA 0.158 4.278 4.120 0.001 0.000 0.281 305 V C -1.457 174.770 176.094 0.221 0.000 1.015 305 V CA -1.470 60.872 62.300 0.070 0.000 0.823 305 V CB 1.568 33.418 31.823 0.045 0.000 1.009 305 V HN 0.468 nan 8.190 nan 0.000 0.436 306 P HA -0.172 nan 4.420 nan 0.000 0.217 306 P C 0.118 177.711 177.300 0.487 0.000 1.158 306 P CA 1.736 65.029 63.100 0.322 0.000 0.887 306 P CB 0.327 32.128 31.700 0.169 0.000 0.792 307 W N -1.860 119.510 121.300 0.118 0.000 3.372 307 W HA 0.335 4.995 4.660 0.000 0.000 0.315 307 W C -1.717 174.852 176.519 0.083 0.000 1.223 307 W CA -0.637 56.766 57.345 0.097 0.000 1.202 307 W CB 1.770 31.268 29.460 0.064 0.000 1.367 307 W HN -0.334 nan 8.180 nan 0.000 0.531 308 C N 5.051 124.252 119.300 -0.165 0.000 2.281 308 C HA 0.439 4.899 4.460 0.001 0.000 0.323 308 C C 0.509 175.365 174.990 -0.223 0.000 1.270 308 C CA -0.698 58.241 59.018 -0.132 0.000 1.559 308 C CB 0.135 27.778 27.740 -0.162 0.000 2.239 308 C HN 0.579 nan 8.230 nan 0.000 0.488 309 R N 2.001 122.519 120.500 0.029 0.000 2.698 309 R HA 0.423 4.763 4.340 0.001 0.000 0.266 309 R C 1.270 177.578 176.300 0.013 0.000 1.026 309 R CA 0.584 56.747 56.100 0.105 0.000 1.102 309 R CB -0.131 30.267 30.300 0.163 0.000 0.978 309 R HN 1.119 nan 8.270 nan 0.000 0.436 310 G N 0.420 109.267 108.800 0.079 0.000 2.216 310 G HA2 -0.375 3.585 3.960 0.001 0.000 0.269 310 G HA3 -0.375 3.585 3.960 0.001 0.000 0.269 310 G C 0.579 175.444 174.900 -0.059 0.000 0.981 310 G CA 1.112 46.235 45.100 0.038 0.000 0.658 310 G HN 0.784 nan 8.290 nan 0.000 0.539 311 E N -1.580 118.485 120.200 -0.225 0.000 2.629 311 E HA 0.457 4.807 4.350 0.001 0.000 0.197 311 E C 1.363 177.625 176.600 -0.564 0.000 0.955 311 E CA 0.365 56.591 56.400 -0.289 0.000 1.191 311 E CB 0.816 30.380 29.700 -0.226 0.000 1.175 311 E HN 1.306 nan 8.360 nan 0.000 0.501 312 G N 0.871 109.007 108.800 -1.106 0.000 2.265 312 G HA2 -0.167 3.794 3.960 0.001 0.000 0.246 312 G HA3 -0.167 3.794 3.960 0.001 0.000 0.246 312 G C -1.277 173.051 174.900 -0.953 0.000 1.299 312 G CA -0.410 43.601 45.100 -1.814 0.000 1.117 312 G HN 0.315 nan 8.290 nan 0.000 0.485 313 H N 1.645 120.410 119.070 -0.508 0.000 2.819 313 H HA 0.436 4.992 4.556 0.000 0.000 0.303 313 H C -0.142 175.101 175.328 -0.142 0.000 1.058 313 H CA 0.220 56.195 56.048 -0.122 0.000 1.471 313 H CB 0.691 30.494 29.762 0.069 0.000 1.480 313 H HN 0.505 nan 8.280 nan 0.000 0.517 314 K N 8.381 128.513 120.400 -0.446 0.000 2.281 314 K HA 0.278 4.598 4.320 0.001 0.000 0.272 314 K C -2.697 173.474 176.600 -0.715 0.000 1.048 314 K CA -1.966 54.018 56.287 -0.505 0.000 0.898 314 K CB 1.225 33.546 32.500 -0.298 0.000 1.128 314 K HN 0.492 nan 8.250 nan 0.000 0.460 315 P HA 0.077 nan 4.420 nan 0.000 0.276 315 P C -0.689 176.489 177.300 -0.202 0.000 1.252 315 P CA -0.424 62.433 63.100 -0.405 0.000 0.802 315 P CB 0.922 32.485 31.700 -0.228 0.000 1.035 316 S N 0.432 116.087 115.700 -0.074 0.000 2.563 316 S HA 0.182 4.652 4.470 0.001 0.000 0.284 316 S C 0.575 175.210 174.600 0.059 0.000 1.331 316 S CA 0.045 58.223 58.200 -0.037 0.000 1.047 316 S CB -0.440 62.740 63.200 -0.033 0.000 0.859 316 S HN 0.269 nan 8.310 nan 0.000 0.514 317 I N 1.563 122.162 120.570 0.049 0.000 2.436 317 I HA 0.467 4.637 4.170 0.001 0.000 0.289 317 I C 0.046 176.309 176.117 0.242 0.000 1.010 317 I CA -0.735 60.620 61.300 0.092 0.000 1.098 317 I CB 1.660 39.611 38.000 -0.082 0.000 1.266 317 I HN 0.643 nan 8.210 nan 0.000 0.434 318 A N 4.698 127.730 122.820 0.354 0.000 2.328 318 A HA 0.258 4.578 4.320 0.001 0.000 0.284 318 A C 0.930 178.748 177.584 0.390 0.000 1.160 318 A CA -0.252 52.037 52.037 0.420 0.000 0.818 318 A CB 0.244 19.617 19.000 0.622 0.000 1.087 318 A HN 0.907 nan 8.150 nan 0.000 0.504 319 H N 2.065 121.362 119.070 0.378 0.000 2.270 319 H HA -0.116 4.440 4.556 0.001 0.000 0.299 319 H C 0.774 176.283 175.328 0.302 0.000 1.077 319 H CA 2.468 58.732 56.048 0.361 0.000 1.294 319 H CB 0.122 30.138 29.762 0.423 0.000 1.371 319 H HN 0.924 nan 8.280 nan 0.000 0.491 320 R N -0.964 119.809 120.500 0.455 0.000 3.603 320 R HA -0.170 4.170 4.340 0.001 0.000 0.479 320 R C -0.481 176.020 176.300 0.336 0.000 0.745 320 R CA 1.217 57.508 56.100 0.317 0.000 1.476 320 R CB -1.548 28.894 30.300 0.236 0.000 2.147 320 R HN 0.346 nan 8.270 nan 0.000 0.447 321 D N -0.076 120.653 120.400 0.549 0.000 2.849 321 D HA 0.201 4.842 4.640 0.001 0.000 0.314 321 D C -1.306 175.134 176.300 0.233 0.000 1.210 321 D CA -0.365 53.857 54.000 0.370 0.000 0.756 321 D CB 0.045 41.014 40.800 0.282 0.000 1.222 321 D HN 0.058 nan 8.370 nan 0.000 0.521 322 F N 2.574 122.499 119.950 -0.041 0.000 2.427 322 F HA 0.471 4.998 4.527 0.000 0.000 0.352 322 F C 0.237 175.759 175.800 -0.463 0.000 1.100 322 F CA 0.173 57.933 58.000 -0.399 0.000 1.191 322 F CB 0.360 39.216 39.000 -0.239 0.000 1.128 322 F HN 0.091 nan 8.300 nan 0.000 0.533 323 K N 1.370 121.173 120.400 -0.994 0.000 2.772 323 K HA 0.234 4.554 4.320 0.001 0.000 0.292 323 K C -0.340 175.886 176.600 -0.623 0.000 1.049 323 K CA -0.268 55.483 56.287 -0.892 0.000 0.846 323 K CB 0.737 32.645 32.500 -0.986 0.000 1.514 323 K HN 0.363 nan 8.250 nan 0.000 0.373 324 S N -0.253 115.288 115.700 -0.265 0.000 2.453 324 S HA -0.120 4.350 4.470 0.001 0.000 0.231 324 S C 1.658 176.177 174.600 -0.134 0.000 1.005 324 S CA 0.998 59.118 58.200 -0.133 0.000 0.949 324 S CB -0.230 63.023 63.200 0.088 0.000 0.774 324 S HN 0.630 nan 8.310 nan 0.000 0.510 325 K N 1.706 122.040 120.400 -0.109 0.000 2.152 325 K HA 0.018 4.338 4.320 0.001 0.000 0.206 325 K C 0.652 177.159 176.600 -0.155 0.000 1.048 325 K CA 1.255 57.484 56.287 -0.096 0.000 0.933 325 K CB -0.109 32.361 32.500 -0.049 0.000 0.721 325 K HN 0.244 nan 8.250 nan 0.000 0.447 326 N N 0.072 118.614 118.700 -0.264 0.000 2.276 326 N HA 0.059 4.800 4.740 0.001 0.000 0.212 326 N C -1.396 173.900 175.510 -0.358 0.000 1.127 326 N CA 0.138 53.013 53.050 -0.292 0.000 0.834 326 N CB 1.146 39.437 38.487 -0.326 0.000 1.014 326 N HN -0.136 nan 8.380 nan 0.000 0.491 327 V N 2.032 121.755 119.914 -0.317 0.000 2.349 327 V HA 0.373 4.493 4.120 0.001 0.000 0.284 327 V C 0.226 176.208 176.094 -0.187 0.000 1.014 327 V CA -0.676 61.468 62.300 -0.260 0.000 0.826 327 V CB 1.551 33.209 31.823 -0.275 0.000 1.009 327 V HN 0.025 nan 8.190 nan 0.000 0.431 328 L N 4.915 126.040 121.223 -0.163 0.000 2.431 328 L HA 0.636 4.976 4.340 0.001 0.000 0.260 328 L C -0.516 176.212 176.870 -0.236 0.000 1.098 328 L CA -0.691 54.051 54.840 -0.164 0.000 0.800 328 L CB 1.217 43.211 42.059 -0.108 0.000 1.210 328 L HN 0.380 nan 8.230 nan 0.000 0.465 329 L N 1.167 122.238 121.223 -0.252 0.000 2.406 329 L HA 0.411 4.751 4.340 0.001 0.000 0.272 329 L C -0.255 176.456 176.870 -0.264 0.000 0.980 329 L CA -0.744 53.927 54.840 -0.282 0.000 0.831 329 L CB 1.874 43.739 42.059 -0.324 0.000 1.253 329 L HN 0.557 nan 8.230 nan 0.000 0.406 330 K N 0.544 120.786 120.400 -0.264 0.000 2.156 330 K HA 0.069 4.390 4.320 0.001 0.000 0.242 330 K C 1.298 177.859 176.600 -0.066 0.000 1.033 330 K CA 0.358 56.570 56.287 -0.125 0.000 0.878 330 K CB 0.636 33.081 32.500 -0.092 0.000 1.057 330 K HN 0.743 nan 8.250 nan 0.000 0.505 331 S N 0.753 116.451 115.700 -0.002 0.000 2.380 331 S HA -0.216 4.255 4.470 0.001 0.000 0.229 331 S C 1.188 175.772 174.600 -0.026 0.000 1.043 331 S CA 2.053 60.252 58.200 -0.000 0.000 1.038 331 S CB -0.515 62.700 63.200 0.025 0.000 0.872 331 S HN 0.770 nan 8.310 nan 0.000 0.456 332 D N 0.597 120.979 120.400 -0.029 0.000 2.319 332 D HA 0.223 4.863 4.640 0.001 0.000 0.230 332 D C 0.714 176.999 176.300 -0.025 0.000 1.094 332 D CA -0.197 53.774 54.000 -0.049 0.000 0.856 332 D CB -0.109 40.652 40.800 -0.065 0.000 0.915 332 D HN 0.270 nan 8.370 nan 0.000 0.517 333 L N -0.596 120.587 121.223 -0.066 0.000 4.937 333 L HA -0.179 4.161 4.340 0.001 0.000 0.422 333 L C -0.146 176.687 176.870 -0.061 0.000 1.059 333 L CA 0.768 55.541 54.840 -0.111 0.000 1.111 333 L CB -2.765 39.228 42.059 -0.109 0.000 2.033 333 L HN 0.138 nan 8.230 nan 0.000 0.708 334 T N 0.582 115.156 114.554 0.033 0.000 2.831 334 T HA 0.402 4.753 4.350 0.001 0.000 0.291 334 T C 0.983 175.554 174.700 -0.216 0.000 0.981 334 T CA 0.438 62.463 62.100 -0.124 0.000 1.174 334 T CB 0.556 69.421 68.868 -0.006 0.000 0.929 334 T HN 0.597 nan 8.240 nan 0.000 0.532 335 A N 3.769 126.441 122.820 -0.247 0.000 2.462 335 A HA 0.500 4.821 4.320 0.001 0.000 0.243 335 A C 0.014 177.518 177.584 -0.133 0.000 1.076 335 A CA -0.504 51.420 52.037 -0.188 0.000 0.773 335 A CB 0.313 19.224 19.000 -0.149 0.000 1.010 335 A HN 0.705 nan 8.150 nan 0.000 0.493 336 V N 4.474 124.306 119.914 -0.137 0.000 2.447 336 V HA 0.230 4.351 4.120 0.001 0.000 0.292 336 V C -0.076 176.010 176.094 -0.013 0.000 1.021 336 V CA -0.416 61.845 62.300 -0.065 0.000 0.850 336 V CB 1.211 32.910 31.823 -0.207 0.000 1.005 336 V HN 0.781 nan 8.190 nan 0.000 0.426 337 L N 4.149 125.430 121.223 0.097 0.000 2.453 337 L HA 0.656 4.997 4.340 0.001 0.000 0.272 337 L C 0.562 177.457 176.870 0.042 0.000 1.182 337 L CA 0.425 55.328 54.840 0.104 0.000 0.858 337 L CB 0.632 42.885 42.059 0.323 0.000 1.120 337 L HN 0.796 nan 8.230 nan 0.000 0.474 338 A N 2.151 124.839 122.820 -0.221 0.000 2.569 338 A HA 0.542 4.862 4.320 0.001 0.000 0.290 338 A C -0.731 176.525 177.584 -0.548 0.000 1.136 338 A CA -0.430 51.375 52.037 -0.388 0.000 0.710 338 A CB 1.533 20.479 19.000 -0.090 0.000 1.303 338 A HN 0.799 nan 8.150 nan 0.000 0.413 339 D N -0.593 119.501 120.400 -0.510 0.000 3.585 339 D HA -0.124 4.517 4.640 0.001 0.000 0.251 339 D C -0.763 175.290 176.300 -0.410 0.000 1.065 339 D CA 0.767 54.623 54.000 -0.241 0.000 1.048 339 D CB -0.855 39.917 40.800 -0.047 0.000 0.952 339 D HN 0.522 nan 8.370 nan 0.000 0.421 340 F N -0.442 119.451 119.950 -0.095 0.000 2.730 340 F HA 0.270 4.798 4.527 0.000 0.000 0.295 340 F C 2.211 177.906 175.800 -0.176 0.000 1.143 340 F CA -0.106 57.720 58.000 -0.291 0.000 1.367 340 F CB 0.818 39.510 39.000 -0.514 0.000 0.970 340 F HN 0.299 nan 8.300 nan 0.000 0.514 341 G N 0.104 108.963 108.800 0.098 0.000 2.534 341 G HA2 -0.073 3.887 3.960 0.001 0.000 0.217 341 G HA3 -0.073 3.887 3.960 0.001 0.000 0.217 341 G C 1.257 176.194 174.900 0.063 0.000 1.128 341 G CA 0.516 45.697 45.100 0.135 0.000 0.784 341 G HN 0.416 nan 8.290 nan 0.000 0.542 342 L N 0.136 121.401 121.223 0.070 0.000 2.766 342 L HA 0.419 4.759 4.340 0.001 0.000 0.242 342 L C 1.401 178.299 176.870 0.046 0.000 1.136 342 L CA -0.468 54.417 54.840 0.074 0.000 0.933 342 L CB 0.456 42.611 42.059 0.161 0.000 1.241 342 L HN 0.147 nan 8.230 nan 0.000 0.522 343 A N 0.606 123.424 122.820 -0.002 0.000 2.407 343 A HA 0.445 4.765 4.320 0.001 0.000 0.248 343 A C -0.451 177.123 177.584 -0.016 0.000 1.082 343 A CA 0.067 52.106 52.037 0.005 0.000 0.785 343 A CB 0.989 19.970 19.000 -0.031 0.000 1.020 343 A HN -0.031 nan 8.150 nan 0.000 0.489 344 V N 3.658 123.575 119.914 0.005 0.000 2.577 344 V HA 0.440 4.561 4.120 0.001 0.000 0.303 344 V C -0.106 175.846 176.094 -0.236 0.000 1.042 344 V CA -0.784 61.447 62.300 -0.114 0.000 0.872 344 V CB 1.583 33.357 31.823 -0.082 0.000 0.998 344 V HN 1.030 nan 8.190 nan 0.000 0.423 345 R N 4.890 125.220 120.500 -0.284 0.000 2.490 345 R HA 0.375 4.715 4.340 0.001 0.000 0.280 345 R C -1.234 174.736 176.300 -0.550 0.000 1.077 345 R CA -0.054 55.877 56.100 -0.281 0.000 1.065 345 R CB 0.791 30.967 30.300 -0.207 0.000 1.003 345 R HN 0.601 nan 8.270 nan 0.000 0.470 346 F N 1.432 121.293 119.950 -0.149 0.000 2.300 346 F HA 0.194 4.721 4.527 0.001 0.000 0.364 346 F C 0.377 176.099 175.800 -0.131 0.000 1.090 346 F CA -0.245 57.635 58.000 -0.200 0.000 1.200 346 F CB 0.792 39.648 39.000 -0.240 0.000 1.493 346 F HN 0.450 nan 8.300 nan 0.000 0.518 347 E N 4.424 124.595 120.200 -0.047 0.000 2.518 347 E HA 0.345 4.696 4.350 0.001 0.000 0.240 347 E C -2.601 173.993 176.600 -0.010 0.000 0.996 347 E CA -2.426 53.985 56.400 0.019 0.000 0.768 347 E CB 1.018 30.715 29.700 -0.004 0.000 1.329 347 E HN 0.136 nan 8.360 nan 0.000 0.408 348 P HA -0.002 nan 4.420 nan 0.000 0.257 348 P C 0.648 177.937 177.300 -0.018 0.000 1.162 348 P CA 1.532 64.615 63.100 -0.029 0.000 0.762 348 P CB 0.695 32.378 31.700 -0.029 0.000 0.753 349 G N 3.003 111.787 108.800 -0.026 0.000 2.279 349 G HA2 -0.231 3.729 3.960 0.001 0.000 0.223 349 G HA3 -0.231 3.729 3.960 0.001 0.000 0.223 349 G C 0.177 175.067 174.900 -0.017 0.000 1.015 349 G CA -0.344 44.745 45.100 -0.017 0.000 0.621 349 G HN 0.541 nan 8.290 nan 0.000 0.506 350 K N 2.170 122.557 120.400 -0.021 0.000 2.356 350 K HA 0.418 4.739 4.320 0.001 0.000 0.243 350 K C -2.486 174.086 176.600 -0.047 0.000 1.072 350 K CA -1.462 54.807 56.287 -0.030 0.000 1.014 350 K CB 1.750 34.233 32.500 -0.029 0.000 1.523 350 K HN 0.228 nan 8.250 nan 0.000 0.455 351 P HA 0.247 nan 4.420 nan 0.000 0.276 351 P C -2.333 174.940 177.300 -0.044 0.000 1.252 351 P CA -1.081 62.001 63.100 -0.031 0.000 0.802 351 P CB -0.011 31.683 31.700 -0.009 0.000 1.035 352 P HA 0.289 nan 4.420 nan 0.000 0.287 352 P C 0.298 177.555 177.300 -0.071 0.000 1.296 352 P CA -0.391 62.667 63.100 -0.070 0.000 0.811 352 P CB 0.411 32.057 31.700 -0.091 0.000 1.211 353 G N -0.437 108.314 108.800 -0.082 0.000 2.479 353 G HA2 0.042 4.002 3.960 0.001 0.000 0.275 353 G HA3 0.042 4.002 3.960 0.001 0.000 0.275 353 G C -0.473 174.360 174.900 -0.112 0.000 1.421 353 G CA -0.422 44.631 45.100 -0.078 0.000 1.059 353 G HN 0.496 nan 8.290 nan 0.000 0.535 354 D N 0.573 120.913 120.400 -0.100 0.000 2.451 354 D HA 0.171 4.811 4.640 0.001 0.000 0.254 354 D C 0.001 176.169 176.300 -0.220 0.000 1.204 354 D CA 0.913 54.810 54.000 -0.173 0.000 0.896 354 D CB 0.505 41.271 40.800 -0.056 0.000 1.136 354 D HN 0.044 nan 8.370 nan 0.000 0.499 355 T N 3.743 118.074 114.554 -0.372 0.000 2.788 355 T HA 0.202 4.552 4.350 0.001 0.000 0.296 355 T C 0.106 174.560 174.700 -0.410 0.000 1.009 355 T CA -0.630 61.268 62.100 -0.336 0.000 0.949 355 T CB 1.002 69.589 68.868 -0.468 0.000 0.946 355 T HN 0.262 nan 8.240 nan 0.000 0.453 356 H N 1.288 120.318 119.070 -0.068 0.000 2.508 356 H HA 0.388 4.944 4.556 0.000 0.000 0.344 356 H C 1.405 176.718 175.328 -0.024 0.000 1.192 356 H CA -0.351 55.674 56.048 -0.039 0.000 1.290 356 H CB 1.653 31.405 29.762 -0.016 0.000 1.571 356 H HN 0.741 nan 8.280 nan 0.000 0.555 357 G N 0.339 109.203 108.800 0.106 0.000 2.424 357 G HA2 -0.127 3.834 3.960 0.001 0.000 0.214 357 G HA3 -0.127 3.834 3.960 0.001 0.000 0.214 357 G C 0.170 175.075 174.900 0.007 0.000 1.202 357 G CA 0.239 45.357 45.100 0.029 0.000 0.793 357 G HN 0.531 nan 8.290 nan 0.000 0.534 358 Q N 0.617 120.440 119.800 0.037 0.000 2.509 358 Q HA 0.398 4.738 4.340 0.001 0.000 0.236 358 Q C 0.496 176.532 176.000 0.059 0.000 1.073 358 Q CA -0.466 55.352 55.803 0.026 0.000 0.867 358 Q CB 1.807 30.553 28.738 0.014 0.000 1.181 358 Q HN 0.323 nan 8.270 nan 0.000 0.526 359 V N -1.459 118.501 119.914 0.077 0.000 3.612 359 V HA 0.394 4.514 4.120 0.001 0.000 0.268 359 V C 0.788 176.968 176.094 0.143 0.000 1.365 359 V CA 0.300 62.676 62.300 0.126 0.000 1.044 359 V CB 0.418 32.331 31.823 0.149 0.000 0.820 359 V HN 0.470 nan 8.190 nan 0.000 0.444 360 G N 0.789 109.662 108.800 0.123 0.000 2.562 360 G HA2 0.428 4.388 3.960 0.001 0.000 0.275 360 G HA3 0.428 4.388 3.960 0.001 0.000 0.275 360 G C -0.098 174.892 174.900 0.151 0.000 1.196 360 G CA -0.015 45.176 45.100 0.152 0.000 0.908 360 G HN 0.242 nan 8.290 nan 0.000 0.524 361 T N 1.000 115.662 114.554 0.181 0.000 2.866 361 T HA -0.008 4.342 4.350 0.001 0.000 0.293 361 T C 1.839 176.674 174.700 0.225 0.000 1.005 361 T CA 0.260 62.488 62.100 0.214 0.000 1.162 361 T CB 0.623 69.674 68.868 0.306 0.000 0.968 361 T HN 0.544 nan 8.240 nan 0.000 0.530 362 R N 2.509 123.098 120.500 0.149 0.000 2.083 362 R HA -0.165 4.175 4.340 0.001 0.000 0.237 362 R C 2.654 178.996 176.300 0.070 0.000 1.137 362 R CA 1.717 57.868 56.100 0.086 0.000 0.951 362 R CB -0.253 30.070 30.300 0.040 0.000 0.851 362 R HN 0.680 nan 8.270 nan 0.000 0.434 363 R N -0.010 120.526 120.500 0.060 0.000 2.211 363 R HA -0.180 4.161 4.340 0.001 0.000 0.240 363 R C 0.667 176.974 176.300 0.011 0.000 1.144 363 R CA 1.688 57.764 56.100 -0.041 0.000 0.992 363 R CB -0.298 29.927 30.300 -0.124 0.000 0.869 363 R HN 0.347 nan 8.270 nan 0.000 0.462 364 Y N 0.244 120.684 120.300 0.234 0.000 2.555 364 Y HA 0.358 4.908 4.550 0.001 0.000 0.259 364 Y C 0.461 176.584 175.900 0.372 0.000 1.179 364 Y CA -0.646 57.660 58.100 0.343 0.000 1.230 364 Y CB 0.519 39.146 38.460 0.279 0.000 1.146 364 Y HN -0.073 nan 8.280 nan 0.000 0.526 365 M N 1.342 121.128 119.600 0.311 0.000 2.184 365 M HA 0.315 4.795 4.480 0.001 0.000 0.351 365 M C 0.570 176.729 176.300 -0.234 0.000 1.395 365 M CA -0.412 54.933 55.300 0.076 0.000 1.117 365 M CB 0.572 33.170 32.600 -0.004 0.000 1.708 365 M HN 0.259 nan 8.290 nan 0.000 0.468 366 A N 6.244 128.767 122.820 -0.496 0.000 2.507 366 A HA 0.161 4.482 4.320 0.001 0.000 0.235 366 A C -1.732 175.516 177.584 -0.560 0.000 1.070 366 A CA -0.991 50.433 52.037 -1.022 0.000 0.768 366 A CB -0.488 18.193 19.000 -0.531 0.000 1.011 366 A HN 0.627 nan 8.150 nan 0.000 0.502 367 P HA -0.129 nan 4.420 nan 0.000 0.216 367 P C 0.927 178.113 177.300 -0.189 0.000 1.153 367 P CA 1.500 64.452 63.100 -0.247 0.000 0.848 367 P CB 0.019 31.643 31.700 -0.127 0.000 0.787 368 E N -0.660 119.414 120.200 -0.211 0.000 2.197 368 E HA -0.187 4.163 4.350 0.001 0.000 0.205 368 E C 1.883 178.413 176.600 -0.117 0.000 1.029 368 E CA 1.515 57.829 56.400 -0.143 0.000 0.828 368 E CB -1.092 28.527 29.700 -0.135 0.000 0.737 368 E HN 0.109 nan 8.360 nan 0.000 0.464 369 V N -0.101 119.726 119.914 -0.146 0.000 2.374 369 V HA -0.124 3.996 4.120 0.001 0.000 0.241 369 V C 2.135 178.174 176.094 -0.092 0.000 1.034 369 V CA 1.002 63.233 62.300 -0.116 0.000 1.037 369 V CB -0.491 31.262 31.823 -0.116 0.000 0.682 369 V HN 0.194 nan 8.190 nan 0.000 0.463 370 L N 0.173 121.326 121.223 -0.116 0.000 1.997 370 L HA -0.289 4.051 4.340 0.001 0.000 0.227 370 L C 2.544 179.367 176.870 -0.079 0.000 1.087 370 L CA 1.939 56.715 54.840 -0.108 0.000 0.797 370 L CB -0.872 41.097 42.059 -0.150 0.000 0.902 370 L HN 0.353 nan 8.230 nan 0.000 0.441 371 E N 0.243 120.401 120.200 -0.069 0.000 2.510 371 E HA -0.083 4.267 4.350 0.001 0.000 0.202 371 E C 1.422 178.011 176.600 -0.019 0.000 1.072 371 E CA 0.885 57.268 56.400 -0.029 0.000 0.883 371 E CB -0.350 29.349 29.700 -0.003 0.000 0.818 371 E HN 0.646 nan 8.360 nan 0.000 0.548 372 G N 0.988 109.771 108.800 -0.029 0.000 2.225 372 G HA2 -0.250 3.710 3.960 0.001 0.000 0.264 372 G HA3 -0.250 3.710 3.960 0.001 0.000 0.264 372 G C 0.409 175.307 174.900 -0.003 0.000 1.060 372 G CA 0.303 45.394 45.100 -0.014 0.000 0.833 372 G HN 0.450 nan 8.290 nan 0.000 0.498 373 A N 0.273 123.086 122.820 -0.012 0.000 3.201 373 A HA 0.673 4.993 4.320 0.001 0.000 0.312 373 A C 0.342 177.934 177.584 0.013 0.000 1.011 373 A CA 0.112 52.151 52.037 0.003 0.000 0.987 373 A CB -0.030 18.968 19.000 -0.002 0.000 1.060 373 A HN 1.642 nan 8.150 nan 0.000 0.505 374 I N -1.553 119.035 120.570 0.031 0.000 2.390 374 I HA 0.472 4.643 4.170 0.001 0.000 0.283 374 I C -1.037 175.191 176.117 0.184 0.000 1.016 374 I CA -0.709 60.627 61.300 0.059 0.000 1.151 374 I CB 1.048 39.021 38.000 -0.045 0.000 1.293 374 I HN 0.054 nan 8.210 nan 0.000 0.458 375 N N 5.344 124.163 118.700 0.199 0.000 2.447 375 N HA 0.022 4.763 4.740 0.001 0.000 0.263 375 N C -0.358 175.443 175.510 0.485 0.000 1.226 375 N CA 0.060 53.268 53.050 0.263 0.000 0.906 375 N CB 0.328 38.910 38.487 0.159 0.000 1.060 375 N HN 0.582 nan 8.380 nan 0.000 0.468 376 F N 3.359 123.444 119.950 0.224 0.000 2.651 376 F HA 0.155 4.682 4.527 0.001 0.000 0.367 376 F C -0.062 175.768 175.800 0.049 0.000 1.225 376 F CA -0.224 57.855 58.000 0.132 0.000 1.310 376 F CB -1.076 37.942 39.000 0.030 0.000 1.724 376 F HN 0.400 nan 8.300 nan 0.000 0.662 377 Q N 1.877 121.752 119.800 0.126 0.000 2.397 377 Q HA 0.295 4.635 4.340 0.001 0.000 0.275 377 Q C 1.188 176.964 176.000 -0.373 0.000 1.090 377 Q CA -0.911 54.812 55.803 -0.134 0.000 0.809 377 Q CB 2.347 31.047 28.738 -0.063 0.000 1.362 377 Q HN 0.303 nan 8.270 nan 0.000 0.431 378 R N 1.549 121.537 120.500 -0.853 0.000 2.080 378 R HA -0.203 4.137 4.340 0.001 0.000 0.236 378 R C 0.343 176.270 176.300 -0.622 0.000 1.137 378 R CA 2.319 57.554 56.100 -1.441 0.000 0.943 378 R CB -0.068 29.504 30.300 -1.213 0.000 0.846 378 R HN 0.763 nan 8.270 nan 0.000 0.431 379 D N 0.308 120.498 120.400 -0.351 0.000 2.149 379 D HA -0.124 4.516 4.640 0.001 0.000 0.198 379 D C 1.739 177.982 176.300 -0.095 0.000 0.990 379 D CA 1.635 55.518 54.000 -0.195 0.000 0.839 379 D CB -0.278 40.446 40.800 -0.127 0.000 0.948 379 D HN 0.416 nan 8.370 nan 0.000 0.460 380 A N -0.383 122.424 122.820 -0.021 0.000 1.933 380 A HA -0.136 4.184 4.320 0.001 0.000 0.218 380 A C 2.120 179.820 177.584 0.193 0.000 1.175 380 A CA 0.962 53.062 52.037 0.106 0.000 0.628 380 A CB -0.907 18.207 19.000 0.190 0.000 0.814 380 A HN 0.247 nan 8.150 nan 0.000 0.444 381 F N -0.340 119.583 119.950 -0.045 0.000 2.234 381 F HA 0.002 4.529 4.527 0.000 0.000 0.296 381 F C 2.132 177.922 175.800 -0.015 0.000 1.089 381 F CA 0.418 58.454 58.000 0.060 0.000 1.343 381 F CB -0.088 39.069 39.000 0.262 0.000 1.040 381 F HN 0.095 nan 8.300 nan 0.000 0.498 382 L N -0.084 121.127 121.223 -0.021 0.000 2.042 382 L HA -0.246 4.095 4.340 0.001 0.000 0.210 382 L C 2.366 179.238 176.870 0.005 0.000 1.076 382 L CA 1.563 56.257 54.840 -0.243 0.000 0.749 382 L CB -0.645 41.160 42.059 -0.424 0.000 0.893 382 L HN 0.115 nan 8.230 nan 0.000 0.432 383 R N -0.326 120.188 120.500 0.023 0.000 2.189 383 R HA -0.068 4.272 4.340 0.001 0.000 0.223 383 R C 2.169 178.536 176.300 0.111 0.000 1.092 383 R CA 0.870 57.011 56.100 0.069 0.000 0.989 383 R CB -0.134 30.192 30.300 0.043 0.000 0.876 383 R HN 0.362 nan 8.270 nan 0.000 0.457 384 I N 0.508 121.131 120.570 0.088 0.000 2.333 384 I HA -0.209 3.962 4.170 0.001 0.000 0.246 384 I C 1.435 177.665 176.117 0.188 0.000 1.106 384 I CA 1.082 62.437 61.300 0.091 0.000 1.411 384 I CB -0.114 37.873 38.000 -0.023 0.000 1.082 384 I HN 0.023 nan 8.210 nan 0.000 0.420 385 D N 0.482 121.002 120.400 0.201 0.000 2.149 385 D HA -0.180 4.461 4.640 0.001 0.000 0.198 385 D C 2.142 178.499 176.300 0.096 0.000 0.990 385 D CA 1.293 55.418 54.000 0.209 0.000 0.839 385 D CB -0.072 40.938 40.800 0.349 0.000 0.948 385 D HN 0.158 nan 8.370 nan 0.000 0.460 386 M N -0.815 118.867 119.600 0.137 0.000 2.236 386 M HA -0.086 4.395 4.480 0.001 0.000 0.266 386 M C 2.014 178.397 176.300 0.139 0.000 1.070 386 M CA 0.736 56.080 55.300 0.072 0.000 1.137 386 M CB -1.125 31.532 32.600 0.096 0.000 1.378 386 M HN 0.115 nan 8.290 nan 0.000 0.426 387 Y N 1.308 121.680 120.300 0.119 0.000 2.097 387 Y HA -0.222 4.328 4.550 0.001 0.000 0.282 387 Y C 2.331 178.394 175.900 0.272 0.000 1.152 387 Y CA 2.421 60.647 58.100 0.210 0.000 1.136 387 Y CB -0.451 38.122 38.460 0.188 0.000 0.975 387 Y HN 0.196 nan 8.280 nan 0.000 0.498 388 A N 0.532 123.615 122.820 0.439 0.000 1.940 388 A HA -0.259 4.061 4.320 0.001 0.000 0.219 388 A C 2.471 180.245 177.584 0.316 0.000 1.176 388 A CA 1.976 54.269 52.037 0.425 0.000 0.631 388 A CB -0.948 18.328 19.000 0.459 0.000 0.814 388 A HN 0.697 nan 8.150 nan 0.000 0.446 389 M N -0.466 119.153 119.600 0.032 0.000 2.213 389 M HA -0.101 4.379 4.480 0.001 0.000 0.263 389 M C 2.103 178.457 176.300 0.091 0.000 1.062 389 M CA 1.483 56.752 55.300 -0.052 0.000 1.105 389 M CB -0.443 31.913 32.600 -0.407 0.000 1.385 389 M HN 0.483 nan 8.290 nan 0.000 0.417 390 G N 0.778 109.611 108.800 0.055 0.000 2.476 390 G HA2 -0.258 3.702 3.960 0.001 0.000 0.218 390 G HA3 -0.258 3.702 3.960 0.001 0.000 0.218 390 G C 1.336 176.357 174.900 0.202 0.000 1.164 390 G CA 1.093 46.207 45.100 0.024 0.000 0.768 390 G HN 0.470 nan 8.290 nan 0.000 0.560 391 L N 0.148 121.568 121.223 0.328 0.000 2.093 391 L HA -0.036 4.304 4.340 0.001 0.000 0.208 391 L C 2.973 180.153 176.870 0.516 0.000 1.085 391 L CA 0.237 55.339 54.840 0.437 0.000 0.755 391 L CB -0.464 41.768 42.059 0.288 0.000 0.904 391 L HN 0.085 nan 8.230 nan 0.000 0.435 392 V N 0.175 120.367 119.914 0.463 0.000 2.407 392 V HA -0.282 3.839 4.120 0.001 0.000 0.248 392 V C 2.411 178.658 176.094 0.256 0.000 1.055 392 V CA 1.564 64.090 62.300 0.378 0.000 1.049 392 V CB -0.441 31.602 31.823 0.367 0.000 0.662 392 V HN 0.340 nan 8.190 nan 0.000 0.455 393 L N -1.523 119.822 121.223 0.203 0.000 1.994 393 L HA -0.212 4.129 4.340 0.001 0.000 0.208 393 L C 2.334 179.277 176.870 0.122 0.000 1.071 393 L CA 2.340 57.241 54.840 0.102 0.000 0.745 393 L CB -0.656 41.418 42.059 0.025 0.000 0.892 393 L HN 0.515 nan 8.230 nan 0.000 0.431 394 W N 1.559 122.893 121.300 0.057 0.000 2.290 394 W HA -0.301 4.360 4.660 0.000 0.000 0.323 394 W C 2.452 179.038 176.519 0.112 0.000 1.260 394 W CA 2.315 59.738 57.345 0.131 0.000 1.266 394 W CB -0.228 29.406 29.460 0.290 0.000 1.149 394 W HN 0.126 nan 8.180 nan 0.000 0.482 395 E N -0.028 120.257 120.200 0.142 0.000 2.049 395 E HA -0.299 4.051 4.350 0.001 0.000 0.198 395 E C 2.215 178.733 176.600 -0.137 0.000 1.007 395 E CA 2.083 58.440 56.400 -0.071 0.000 0.809 395 E CB -0.858 29.023 29.700 0.301 0.000 0.749 395 E HN 0.368 nan 8.360 nan 0.000 0.450 396 L N 0.565 121.751 121.223 -0.062 0.000 1.997 396 L HA -0.259 4.082 4.340 0.001 0.000 0.216 396 L C 2.567 179.278 176.870 -0.264 0.000 1.074 396 L CA 1.093 55.858 54.840 -0.125 0.000 0.763 396 L CB -0.625 41.373 42.059 -0.101 0.000 0.890 396 L HN 0.068 nan 8.230 nan 0.000 0.434 397 V N -0.102 119.593 119.914 -0.365 0.000 2.392 397 V HA -0.283 3.837 4.120 0.001 0.000 0.249 397 V C 2.625 178.164 176.094 -0.924 0.000 1.059 397 V CA 2.055 63.989 62.300 -0.610 0.000 1.051 397 V CB -0.575 30.893 31.823 -0.592 0.000 0.658 397 V HN 0.681 nan 8.190 nan 0.000 0.455 398 S N 0.094 115.295 115.700 -0.832 0.000 2.481 398 S HA -0.070 4.400 4.470 0.001 0.000 0.231 398 S C 1.543 175.971 174.600 -0.287 0.000 0.996 398 S CA 0.633 58.463 58.200 -0.616 0.000 0.942 398 S CB -0.208 62.550 63.200 -0.737 0.000 0.768 398 S HN 0.626 nan 8.310 nan 0.000 0.520 399 R N 0.119 120.474 120.500 -0.241 0.000 2.652 399 R HA 0.331 4.672 4.340 0.001 0.000 0.372 399 R C -0.547 175.671 176.300 -0.136 0.000 1.104 399 R CA -0.197 55.834 56.100 -0.116 0.000 1.072 399 R CB -0.005 30.274 30.300 -0.035 0.000 1.367 399 R HN 0.417 nan 8.270 nan 0.000 0.577 400 C N 1.891 121.056 119.300 -0.224 0.000 2.350 400 C HA 0.240 4.700 4.460 0.001 0.000 0.348 400 C C 0.884 175.785 174.990 -0.147 0.000 1.260 400 C CA -0.835 58.078 59.018 -0.176 0.000 1.966 400 C CB 0.551 28.163 27.740 -0.213 0.000 2.380 400 C HN 0.370 nan 8.230 nan 0.000 0.535 401 K N 4.602 124.956 120.400 -0.076 0.000 2.250 401 K HA 0.178 4.498 4.320 0.001 0.000 0.277 401 K C 0.299 176.834 176.600 -0.109 0.000 1.091 401 K CA 0.207 56.461 56.287 -0.055 0.000 1.046 401 K CB 0.001 32.493 32.500 -0.014 0.000 0.982 401 K HN 0.828 nan 8.250 nan 0.000 0.429 402 A N 4.325 127.062 122.820 -0.138 0.000 3.126 402 A HA 0.302 4.623 4.320 0.001 0.000 0.268 402 A C 1.074 178.599 177.584 -0.097 0.000 1.605 402 A CA 0.301 52.190 52.037 -0.246 0.000 1.305 402 A CB -0.379 18.497 19.000 -0.207 0.000 1.160 402 A HN 0.870 nan 8.150 nan 0.000 0.609 403 A N 0.270 123.046 122.820 -0.073 0.000 2.474 403 A HA -0.289 4.031 4.320 0.001 0.000 0.349 403 A C 1.181 178.809 177.584 0.073 0.000 1.515 403 A CA 2.289 54.362 52.037 0.060 0.000 1.223 403 A CB -0.847 18.244 19.000 0.153 0.000 0.828 403 A HN 0.856 nan 8.150 nan 0.000 0.391 404 D N -3.254 117.196 120.400 0.084 0.000 2.326 404 D HA 0.182 4.822 4.640 0.001 0.000 0.095 404 D C 1.076 177.433 176.300 0.095 0.000 1.442 404 D CA 0.505 54.562 54.000 0.096 0.000 1.342 404 D CB -0.609 40.267 40.800 0.126 0.000 2.455 404 D HN 0.496 nan 8.370 nan 0.000 0.200 405 G N 1.523 110.422 108.800 0.165 0.000 2.684 405 G HA2 0.444 4.405 3.960 0.001 0.000 0.255 405 G HA3 0.444 4.405 3.960 0.001 0.000 0.255 405 G C -2.132 172.819 174.900 0.085 0.000 1.219 405 G CA -0.376 44.760 45.100 0.061 0.000 0.901 405 G HN 0.232 nan 8.290 nan 0.000 0.548 406 P HA 0.295 nan 4.420 nan 0.000 0.276 406 P C -0.482 176.887 177.300 0.115 0.000 1.244 406 P CA -0.385 62.745 63.100 0.050 0.000 0.801 406 P CB 1.568 33.276 31.700 0.015 0.000 1.006 407 V N 1.233 121.200 119.914 0.088 0.000 2.398 407 V HA 0.321 4.441 4.120 0.001 0.000 0.286 407 V C -0.275 175.874 176.094 0.092 0.000 1.026 407 V CA -0.592 61.773 62.300 0.108 0.000 0.868 407 V CB 0.857 32.710 31.823 0.050 0.000 0.982 407 V HN 0.366 nan 8.190 nan 0.000 0.443 408 D N 3.854 124.331 120.400 0.128 0.000 2.360 408 D HA 0.226 4.867 4.640 0.001 0.000 0.242 408 D C 0.276 176.625 176.300 0.081 0.000 1.184 408 D CA 0.007 54.068 54.000 0.102 0.000 0.930 408 D CB 0.664 41.540 40.800 0.126 0.000 1.161 408 D HN 0.680 nan 8.370 nan 0.000 0.447 409 E N 0.361 120.604 120.200 0.072 0.000 2.383 409 E HA -0.027 4.323 4.350 0.001 0.000 0.264 409 E C -0.228 176.438 176.600 0.111 0.000 1.050 409 E CA -0.243 56.206 56.400 0.081 0.000 0.896 409 E CB 0.428 30.165 29.700 0.062 0.000 0.982 409 E HN 0.369 nan 8.360 nan 0.000 0.424 410 Y N 2.947 123.245 120.300 -0.002 0.000 2.717 410 Y HA -0.061 4.489 4.550 0.000 0.000 0.330 410 Y C -0.159 175.765 175.900 0.040 0.000 1.217 410 Y CA 0.687 58.787 58.100 -0.001 0.000 1.506 410 Y CB 0.288 38.740 38.460 -0.013 0.000 1.268 410 Y HN 0.306 nan 8.280 nan 0.000 0.561 411 M N 7.185 126.492 119.600 -0.489 0.000 2.591 411 M HA 0.344 4.824 4.480 0.001 0.000 0.306 411 M C -0.880 175.096 176.300 -0.540 0.000 1.190 411 M CA -0.933 54.124 55.300 -0.404 0.000 0.889 411 M CB 1.962 34.519 32.600 -0.072 0.000 1.728 411 M HN 0.542 nan 8.290 nan 0.000 0.458 412 L N 2.214 123.241 121.223 -0.328 0.000 2.473 412 L HA 0.231 4.571 4.340 0.001 0.000 0.268 412 L C -1.968 174.860 176.870 -0.069 0.000 1.215 412 L CA -1.614 53.140 54.840 -0.145 0.000 0.823 412 L CB -0.078 41.929 42.059 -0.087 0.000 1.099 412 L HN 0.302 nan 8.230 nan 0.000 0.483 413 P HA -0.002 nan 4.420 nan 0.000 0.263 413 P C -0.219 176.821 177.300 -0.432 0.000 1.195 413 P CA 0.337 63.117 63.100 -0.533 0.000 0.762 413 P CB 0.081 31.421 31.700 -0.599 0.000 0.799 414 F N 0.040 119.750 119.950 -0.400 0.000 2.778 414 F HA -0.313 4.214 4.527 0.001 0.000 0.399 414 F C 1.839 177.519 175.800 -0.200 0.000 0.604 414 F CA 1.362 59.185 58.000 -0.294 0.000 1.106 414 F CB -1.620 37.214 39.000 -0.276 0.000 1.643 414 F HN 0.350 nan 8.300 nan 0.000 0.290 415 E N 1.295 121.464 120.200 -0.052 0.000 2.171 415 E HA -0.313 4.038 4.350 0.001 0.000 0.197 415 E C 1.884 178.466 176.600 -0.032 0.000 0.997 415 E CA 1.844 58.213 56.400 -0.052 0.000 0.810 415 E CB -0.091 29.565 29.700 -0.073 0.000 0.738 415 E HN 0.633 nan 8.360 nan 0.000 0.467 416 E N 0.033 120.212 120.200 -0.035 0.000 2.216 416 E HA -0.143 4.208 4.350 0.001 0.000 0.192 416 E C 1.458 178.048 176.600 -0.016 0.000 0.988 416 E CA 1.271 57.659 56.400 -0.020 0.000 0.834 416 E CB 0.181 29.872 29.700 -0.014 0.000 0.772 416 E HN 0.280 nan 8.360 nan 0.000 0.479 417 E N -0.229 119.966 120.200 -0.008 0.000 2.052 417 E HA 0.134 4.484 4.350 0.001 0.000 0.192 417 E C 1.081 177.679 176.600 -0.003 0.000 0.958 417 E CA 1.221 57.624 56.400 0.005 0.000 0.835 417 E CB -0.086 29.644 29.700 0.051 0.000 0.811 417 E HN 0.313 nan 8.360 nan 0.000 0.462 418 I N -1.293 119.276 120.570 -0.001 0.000 5.537 418 I HA 0.419 4.589 4.170 0.001 0.000 0.170 418 I C 1.204 177.307 176.117 -0.023 0.000 1.303 418 I CA -0.559 60.724 61.300 -0.027 0.000 1.660 418 I CB -0.701 37.263 38.000 -0.062 0.000 1.514 418 I HN -0.001 nan 8.210 nan 0.000 0.594 419 G N -1.355 107.426 108.800 -0.030 0.000 2.601 419 G HA2 0.328 4.289 3.960 0.001 0.000 0.317 419 G HA3 0.328 4.289 3.960 0.001 0.000 0.317 419 G C 0.031 174.884 174.900 -0.080 0.000 1.246 419 G CA -0.421 44.658 45.100 -0.034 0.000 1.012 419 G HN 0.506 nan 8.290 nan 0.000 0.494 420 Q N -1.128 118.601 119.800 -0.119 0.000 2.156 420 Q HA -0.230 4.110 4.340 0.001 0.000 0.211 420 Q C 1.755 177.420 176.000 -0.558 0.000 0.995 420 Q CA 2.271 57.895 55.803 -0.298 0.000 0.877 420 Q CB -0.005 28.560 28.738 -0.289 0.000 0.920 420 Q HN 0.768 nan 8.270 nan 0.000 0.416 421 H N -1.807 117.261 119.070 -0.002 0.000 2.317 421 H HA 0.155 4.711 4.556 0.001 0.000 0.291 421 H C -1.734 173.579 175.328 -0.024 0.000 0.999 421 H CA -0.637 55.406 56.048 -0.008 0.000 1.336 421 H CB -0.909 28.850 29.762 -0.004 0.000 1.485 421 H HN 0.044 nan 8.280 nan 0.000 0.597 422 P HA -0.167 nan 4.420 nan 0.000 0.274 422 P C -0.286 177.009 177.300 -0.008 0.000 1.159 422 P CA 0.753 63.867 63.100 0.023 0.000 0.759 422 P CB 0.507 32.204 31.700 -0.005 0.000 0.744 423 S N 1.423 117.110 115.700 -0.021 0.000 2.694 423 S HA 0.206 4.677 4.470 0.001 0.000 0.278 423 S C 1.428 175.993 174.600 -0.058 0.000 1.152 423 S CA -0.897 57.288 58.200 -0.026 0.000 1.010 423 S CB 0.198 63.386 63.200 -0.019 0.000 1.104 423 S HN 0.410 nan 8.310 nan 0.000 0.547 424 L N 1.251 122.444 121.223 -0.051 0.000 2.123 424 L HA -0.202 4.139 4.340 0.001 0.000 0.217 424 L C 1.929 178.742 176.870 -0.096 0.000 1.081 424 L CA 2.111 56.909 54.840 -0.069 0.000 0.772 424 L CB -1.398 40.633 42.059 -0.048 0.000 0.890 424 L HN 0.630 nan 8.230 nan 0.000 0.437 425 E N -0.508 119.644 120.200 -0.080 0.000 2.076 425 E HA -0.154 4.196 4.350 0.001 0.000 0.190 425 E C 2.055 178.587 176.600 -0.114 0.000 0.979 425 E CA 0.967 57.315 56.400 -0.087 0.000 0.807 425 E CB 0.006 29.674 29.700 -0.053 0.000 0.761 425 E HN 0.486 nan 8.360 nan 0.000 0.454 426 E N 0.200 120.336 120.200 -0.107 0.000 2.107 426 E HA -0.053 4.297 4.350 0.001 0.000 0.191 426 E C 1.953 178.441 176.600 -0.188 0.000 0.982 426 E CA 0.487 56.813 56.400 -0.123 0.000 0.809 426 E CB -0.110 29.531 29.700 -0.097 0.000 0.756 426 E HN 0.141 nan 8.360 nan 0.000 0.459 427 L N 0.706 121.798 121.223 -0.217 0.000 2.042 427 L HA -0.265 4.076 4.340 0.001 0.000 0.210 427 L C 2.504 179.188 176.870 -0.310 0.000 1.076 427 L CA 1.401 56.051 54.840 -0.316 0.000 0.749 427 L CB -0.306 41.574 42.059 -0.299 0.000 0.893 427 L HN 0.181 nan 8.230 nan 0.000 0.432 428 Q N -0.674 118.961 119.800 -0.274 0.000 2.084 428 Q HA -0.225 4.116 4.340 0.001 0.000 0.202 428 Q C 2.249 177.964 176.000 -0.475 0.000 0.978 428 Q CA 1.344 56.931 55.803 -0.360 0.000 0.844 428 Q CB -0.006 28.536 28.738 -0.326 0.000 0.898 428 Q HN 0.370 nan 8.270 nan 0.000 0.426 429 E N -0.190 119.819 120.200 -0.318 0.000 2.012 429 E HA -0.176 4.174 4.350 0.001 0.000 0.197 429 E C 2.091 178.599 176.600 -0.153 0.000 1.007 429 E CA 1.428 57.712 56.400 -0.193 0.000 0.816 429 E CB -0.129 29.515 29.700 -0.092 0.000 0.762 429 E HN 0.171 nan 8.360 nan 0.000 0.451 430 V N 0.582 120.385 119.914 -0.185 0.000 2.379 430 V HA -0.178 3.943 4.120 0.001 0.000 0.245 430 V C 2.505 178.491 176.094 -0.180 0.000 1.044 430 V CA 1.258 63.458 62.300 -0.167 0.000 1.036 430 V CB -0.345 31.354 31.823 -0.208 0.000 0.664 430 V HN 0.049 nan 8.190 nan 0.000 0.453 431 V N -0.708 119.045 119.914 -0.267 0.000 2.331 431 V HA -0.078 4.042 4.120 0.001 0.000 0.242 431 V C 2.240 178.279 176.094 -0.091 0.000 1.034 431 V CA 1.489 63.659 62.300 -0.217 0.000 1.027 431 V CB 0.098 31.719 31.823 -0.337 0.000 0.667 431 V HN 0.352 nan 8.190 nan 0.000 0.457 432 V N -0.593 119.247 119.914 -0.123 0.000 2.341 432 V HA -0.098 4.023 4.120 0.001 0.000 0.240 432 V C 2.428 178.573 176.094 0.084 0.000 1.035 432 V CA 1.618 63.912 62.300 -0.010 0.000 1.033 432 V CB -0.783 30.999 31.823 -0.069 0.000 0.678 432 V HN 0.512 nan 8.190 nan 0.000 0.464 433 H N 0.578 119.611 119.070 -0.062 0.000 2.333 433 H HA 0.065 4.621 4.556 0.001 0.000 0.302 433 H C 2.129 177.412 175.328 -0.075 0.000 1.075 433 H CA 1.144 57.153 56.048 -0.066 0.000 1.348 433 H CB -0.147 29.583 29.762 -0.054 0.000 1.393 433 H HN 0.298 nan 8.280 nan 0.000 0.509 434 K N 0.303 120.735 120.400 0.054 0.000 2.400 434 K HA -0.013 4.307 4.320 0.001 0.000 0.194 434 K C 0.246 176.832 176.600 -0.023 0.000 1.033 434 K CA 0.166 56.454 56.287 0.002 0.000 1.021 434 K CB 0.482 32.975 32.500 -0.012 0.000 0.808 434 K HN 0.048 nan 8.250 nan 0.000 0.505 435 K N -0.282 120.100 120.400 -0.031 0.000 3.467 435 K HA -0.136 4.185 4.320 0.001 0.000 0.309 435 K C -0.313 176.268 176.600 -0.031 0.000 1.350 435 K CA 0.693 56.961 56.287 -0.032 0.000 0.934 435 K CB -1.319 31.152 32.500 -0.050 0.000 1.312 435 K HN 0.153 nan 8.250 nan 0.000 0.461 436 M N 0.587 120.162 119.600 -0.041 0.000 2.227 436 M HA 0.394 4.875 4.480 0.001 0.000 0.316 436 M C 0.505 176.756 176.300 -0.082 0.000 1.144 436 M CA -0.080 55.187 55.300 -0.054 0.000 1.121 436 M CB 0.850 33.433 32.600 -0.028 0.000 1.440 436 M HN -0.081 nan 8.290 nan 0.000 0.473 437 R N 0.105 120.442 120.500 -0.273 0.000 2.764 437 R HA 0.579 4.920 4.340 0.001 0.000 0.270 437 R C -2.858 172.979 176.300 -0.772 0.000 1.014 437 R CA -2.209 53.437 56.100 -0.757 0.000 0.904 437 R CB -0.004 29.419 30.300 -1.462 0.000 1.236 437 R HN 0.344 nan 8.270 nan 0.000 0.466 438 P HA 0.040 nan 4.420 nan 0.000 0.265 438 P C -0.408 176.582 177.300 -0.516 0.000 1.187 438 P CA 0.320 62.720 63.100 -1.167 0.000 0.766 438 P CB 0.281 30.538 31.700 -2.405 0.000 0.820 439 T N 3.833 118.273 114.554 -0.189 0.000 2.834 439 T HA 0.199 4.549 4.350 0.001 0.000 0.298 439 T C 0.723 175.479 174.700 0.094 0.000 0.966 439 T CA 0.100 62.179 62.100 -0.036 0.000 1.141 439 T CB -0.262 68.568 68.868 -0.062 0.000 0.905 439 T HN 0.210 nan 8.240 nan 0.000 0.535 440 I N 4.616 125.215 120.570 0.048 0.000 2.337 440 I HA 0.135 4.306 4.170 0.001 0.000 0.291 440 I C 0.741 176.593 176.117 -0.442 0.000 1.046 440 I CA -0.486 60.754 61.300 -0.099 0.000 1.324 440 I CB 0.527 38.640 38.000 0.189 0.000 1.409 440 I HN 0.242 nan 8.210 nan 0.000 0.494 441 K N 5.633 125.337 120.400 -1.161 0.000 2.322 441 K HA 0.071 4.392 4.320 0.001 0.000 0.283 441 K C 0.507 176.802 176.600 -0.508 0.000 1.042 441 K CA -0.208 55.520 56.287 -0.930 0.000 0.958 441 K CB 0.795 32.404 32.500 -1.484 0.000 0.984 441 K HN 0.472 nan 8.250 nan 0.000 0.473 442 D N 1.674 121.951 120.400 -0.206 0.000 2.160 442 D HA -0.241 4.399 4.640 0.001 0.000 0.189 442 D C 1.690 177.990 176.300 0.001 0.000 1.003 442 D CA 1.824 55.793 54.000 -0.052 0.000 0.846 442 D CB -0.200 40.608 40.800 0.014 0.000 0.949 442 D HN 0.689 nan 8.370 nan 0.000 0.446 443 H N -1.204 117.868 119.070 0.004 0.000 2.518 443 H HA -0.117 4.440 4.556 0.001 0.000 0.289 443 H C 1.647 177.113 175.328 0.230 0.000 1.051 443 H CA 0.939 57.043 56.048 0.093 0.000 1.280 443 H CB -0.804 29.009 29.762 0.085 0.000 1.380 443 H HN 0.267 nan 8.280 nan 0.000 0.566 444 W N 1.613 122.623 121.300 -0.483 0.000 2.402 444 W HA 0.036 4.696 4.660 0.001 0.000 0.286 444 W C 2.482 178.958 176.519 -0.071 0.000 1.221 444 W CA 0.164 57.341 57.345 -0.280 0.000 1.257 444 W CB -0.773 28.547 29.460 -0.233 0.000 1.120 444 W HN 0.183 nan 8.180 nan 0.000 0.551 445 L N 0.862 122.197 121.223 0.185 0.000 2.456 445 L HA -0.139 4.202 4.340 0.001 0.000 0.224 445 L C 1.848 178.779 176.870 0.101 0.000 1.148 445 L CA 0.985 55.904 54.840 0.133 0.000 0.825 445 L CB -0.658 41.455 42.059 0.090 0.000 0.937 445 L HN -0.093 nan 8.230 nan 0.000 0.450 446 K N -1.175 119.293 120.400 0.114 0.000 2.444 446 K HA 0.066 4.386 4.320 0.001 0.000 0.193 446 K C 0.345 176.989 176.600 0.073 0.000 1.024 446 K CA 0.131 56.468 56.287 0.083 0.000 1.077 446 K CB -0.035 32.524 32.500 0.098 0.000 0.833 446 K HN 0.260 nan 8.250 nan 0.000 0.517 447 H N 3.017 122.078 119.070 -0.016 0.000 2.541 447 H HA 0.119 4.675 4.556 0.001 0.000 0.316 447 H C -1.834 173.421 175.328 -0.121 0.000 1.043 447 H CA -1.854 54.134 56.048 -0.099 0.000 1.232 447 H CB 1.994 31.678 29.762 -0.130 0.000 1.406 447 H HN -0.194 nan 8.280 nan 0.000 0.469 448 P HA -0.127 nan 4.420 nan 0.000 0.216 448 P C 1.440 178.645 177.300 -0.159 0.000 1.150 448 P CA 1.457 64.409 63.100 -0.245 0.000 0.837 448 P CB 0.032 31.572 31.700 -0.267 0.000 0.786 449 G N 0.507 109.123 108.800 -0.305 0.000 2.421 449 G HA2 -0.198 3.762 3.960 0.001 0.000 0.216 449 G HA3 -0.198 3.762 3.960 0.001 0.000 0.216 449 G C 1.702 176.792 174.900 0.316 0.000 1.171 449 G CA 0.575 45.651 45.100 -0.040 0.000 0.775 449 G HN 0.236 nan 8.290 nan 0.000 0.543 450 L N 0.486 121.907 121.223 0.330 0.000 2.131 450 L HA 0.061 4.402 4.340 0.001 0.000 0.206 450 L C 3.418 180.389 176.870 0.169 0.000 1.087 450 L CA 0.726 55.702 54.840 0.226 0.000 0.767 450 L CB -0.487 41.616 42.059 0.074 0.000 0.917 450 L HN 0.305 nan 8.230 nan 0.000 0.441 451 A N 0.023 122.929 122.820 0.144 0.000 1.917 451 A HA -0.293 4.027 4.320 0.001 0.000 0.219 451 A C 2.222 179.860 177.584 0.090 0.000 1.182 451 A CA 1.964 54.066 52.037 0.109 0.000 0.633 451 A CB -0.473 18.568 19.000 0.069 0.000 0.819 451 A HN 0.495 nan 8.150 nan 0.000 0.448 452 Q N -1.519 118.336 119.800 0.091 0.000 2.096 452 Q HA 0.045 4.385 4.340 0.001 0.000 0.197 452 Q C 2.072 178.116 176.000 0.073 0.000 0.964 452 Q CA 0.972 56.820 55.803 0.074 0.000 0.838 452 Q CB -0.194 28.591 28.738 0.079 0.000 0.906 452 Q HN 0.559 nan 8.270 nan 0.000 0.444 453 L N 0.181 121.469 121.223 0.110 0.000 2.127 453 L HA -0.221 4.119 4.340 0.001 0.000 0.211 453 L C 2.036 178.919 176.870 0.021 0.000 1.089 453 L CA 1.435 56.313 54.840 0.064 0.000 0.757 453 L CB -0.211 41.895 42.059 0.078 0.000 0.899 453 L HN 0.326 nan 8.230 nan 0.000 0.434 454 C N -2.555 116.780 119.300 0.058 0.000 2.457 454 C HA -0.065 4.396 4.460 0.001 0.000 0.278 454 C C 2.652 177.624 174.990 -0.030 0.000 1.309 454 C CA 0.446 59.489 59.018 0.042 0.000 1.735 454 C CB -0.699 27.136 27.740 0.160 0.000 1.992 454 C HN 0.421 nan 8.230 nan 0.000 0.493 455 V N 1.265 121.179 119.914 0.001 0.000 2.282 455 V HA -0.293 3.827 4.120 0.001 0.000 0.249 455 V C 2.540 178.592 176.094 -0.070 0.000 1.057 455 V CA 2.737 65.027 62.300 -0.017 0.000 1.032 455 V CB -1.274 30.554 31.823 0.008 0.000 0.645 455 V HN 0.595 nan 8.190 nan 0.000 0.447 456 T N 0.018 114.531 114.554 -0.068 0.000 2.746 456 T HA -0.105 4.246 4.350 0.001 0.000 0.267 456 T C 1.799 176.387 174.700 -0.187 0.000 1.039 456 T CA 1.738 63.783 62.100 -0.091 0.000 1.142 456 T CB -0.286 68.548 68.868 -0.056 0.000 0.866 456 T HN 0.355 nan 8.240 nan 0.000 0.444 457 I N 1.110 121.518 120.570 -0.271 0.000 2.127 457 I HA -0.185 3.985 4.170 0.001 0.000 0.241 457 I C 2.617 178.187 176.117 -0.911 0.000 1.075 457 I CA 1.478 62.450 61.300 -0.547 0.000 1.334 457 I CB -0.417 37.262 38.000 -0.534 0.000 1.040 457 I HN 0.315 nan 8.210 nan 0.000 0.405 458 E N 0.541 120.318 120.200 -0.705 0.000 2.265 458 E HA -0.226 4.124 4.350 0.001 0.000 0.196 458 E C 1.935 178.367 176.600 -0.280 0.000 0.996 458 E CA 1.044 57.081 56.400 -0.605 0.000 0.832 458 E CB -0.097 29.538 29.700 -0.109 0.000 0.756 458 E HN 0.616 nan 8.360 nan 0.000 0.491 459 E N 0.103 120.190 120.200 -0.189 0.000 2.122 459 E HA -0.085 4.266 4.350 0.001 0.000 0.190 459 E C 2.220 178.801 176.600 -0.031 0.000 0.977 459 E CA 0.513 56.882 56.400 -0.051 0.000 0.820 459 E CB -0.089 29.594 29.700 -0.029 0.000 0.770 459 E HN 0.220 nan 8.360 nan 0.000 0.462 460 C N 1.167 120.398 119.300 -0.115 0.000 2.413 460 C HA -0.138 4.322 4.460 0.001 0.000 0.276 460 C C 1.767 176.820 174.990 0.106 0.000 1.248 460 C CA 0.833 59.825 59.018 -0.043 0.000 1.742 460 C CB -1.115 26.552 27.740 -0.121 0.000 2.017 460 C HN 0.678 nan 8.230 nan 0.000 0.481 461 W N 1.201 122.512 121.300 0.019 0.000 2.817 461 W HA 0.460 5.120 4.660 0.000 0.000 0.433 461 W C -0.300 176.344 176.519 0.209 0.000 0.838 461 W CA -2.019 55.333 57.345 0.013 0.000 2.356 461 W CB -1.471 27.802 29.460 -0.312 0.000 1.216 461 W HN 0.101 nan 8.180 nan 0.000 0.793 462 D N 1.193 121.881 120.400 0.480 0.000 2.414 462 D HA -0.130 4.510 4.640 0.001 0.000 0.242 462 D C 1.225 177.740 176.300 0.358 0.000 1.129 462 D CA 0.463 54.695 54.000 0.387 0.000 0.885 462 D CB 0.921 41.859 40.800 0.230 0.000 1.198 462 D HN 0.300 nan 8.370 nan 0.000 0.437 463 H N 2.496 121.699 119.070 0.222 0.000 2.319 463 H HA -0.189 4.367 4.556 0.001 0.000 0.297 463 H C 0.060 175.450 175.328 0.104 0.000 1.097 463 H CA 1.728 57.859 56.048 0.139 0.000 1.285 463 H CB 0.004 29.823 29.762 0.095 0.000 1.368 463 H HN 0.324 nan 8.280 nan 0.000 0.495 464 D N -0.144 120.326 120.400 0.117 0.000 2.342 464 D HA 0.073 4.714 4.640 0.001 0.000 0.260 464 D C 1.155 177.475 176.300 0.033 0.000 1.278 464 D CA 0.630 54.654 54.000 0.039 0.000 0.910 464 D CB 0.461 41.319 40.800 0.096 0.000 1.079 464 D HN 0.522 nan 8.370 nan 0.000 0.496 465 A N 4.415 127.223 122.820 -0.020 0.000 1.917 465 A HA -0.252 4.069 4.320 0.001 0.000 0.219 465 A C 1.949 179.551 177.584 0.030 0.000 1.182 465 A CA 1.630 53.674 52.037 0.011 0.000 0.633 465 A CB -0.507 18.481 19.000 -0.021 0.000 0.819 465 A HN 0.721 nan 8.150 nan 0.000 0.448 466 E N -0.767 119.445 120.200 0.021 0.000 2.209 466 E HA -0.104 4.247 4.350 0.001 0.000 0.196 466 E C 1.936 178.556 176.600 0.034 0.000 0.993 466 E CA 0.804 57.217 56.400 0.022 0.000 0.819 466 E CB -0.202 29.509 29.700 0.018 0.000 0.745 466 E HN 0.650 nan 8.360 nan 0.000 0.477 467 A N 0.730 123.580 122.820 0.050 0.000 2.208 467 A HA 0.023 4.343 4.320 0.001 0.000 0.209 467 A C 0.713 178.332 177.584 0.059 0.000 1.161 467 A CA 0.057 52.128 52.037 0.057 0.000 0.782 467 A CB 0.010 19.055 19.000 0.075 0.000 0.816 467 A HN 0.021 nan 8.150 nan 0.000 0.477 468 R N -0.407 120.132 120.500 0.065 0.000 2.531 468 R HA 0.537 4.877 4.340 0.001 0.000 0.273 468 R C -0.590 175.735 176.300 0.041 0.000 1.070 468 R CA -0.433 55.707 56.100 0.067 0.000 1.112 468 R CB 0.559 30.918 30.300 0.098 0.000 1.049 468 R HN 0.278 nan 8.270 nan 0.000 0.508 469 L N 0.858 122.098 121.223 0.027 0.000 2.421 469 L HA 0.265 4.606 4.340 0.001 0.000 0.263 469 L C 0.833 177.717 176.870 0.023 0.000 1.122 469 L CA -0.582 54.267 54.840 0.015 0.000 0.804 469 L CB 1.280 43.337 42.059 -0.003 0.000 1.150 469 L HN 0.744 nan 8.230 nan 0.000 0.457 470 S N 0.447 116.161 115.700 0.023 0.000 2.645 470 S HA 0.373 4.844 4.470 0.001 0.000 0.266 470 S C 0.978 175.591 174.600 0.022 0.000 1.258 470 S CA -0.166 58.059 58.200 0.042 0.000 0.990 470 S CB 1.543 64.767 63.200 0.039 0.000 0.967 470 S HN 0.692 nan 8.310 nan 0.000 0.556 471 A N 1.447 124.282 122.820 0.026 0.000 1.933 471 A HA 0.124 4.445 4.320 0.001 0.000 0.218 471 A C 2.148 179.715 177.584 -0.029 0.000 1.175 471 A CA 1.683 53.686 52.037 -0.057 0.000 0.628 471 A CB -1.766 17.133 19.000 -0.169 0.000 0.814 471 A HN 1.154 nan 8.150 nan 0.000 0.444 472 G N -1.363 107.440 108.800 0.005 0.000 2.422 472 G HA2 -0.232 3.729 3.960 0.001 0.000 0.218 472 G HA3 -0.232 3.729 3.960 0.001 0.000 0.218 472 G C 1.695 176.601 174.900 0.009 0.000 1.140 472 G CA 1.210 46.319 45.100 0.015 0.000 0.775 472 G HN 0.640 nan 8.290 nan 0.000 0.545 473 C N 0.047 119.351 119.300 0.006 0.000 2.467 473 C HA 0.131 4.592 4.460 0.001 0.000 0.279 473 C C 2.965 177.951 174.990 -0.007 0.000 1.347 473 C CA 0.903 59.922 59.018 0.003 0.000 1.748 473 C CB -0.908 26.835 27.740 0.005 0.000 1.977 473 C HN 0.215 nan 8.230 nan 0.000 0.501 474 V N 1.058 120.961 119.914 -0.019 0.000 2.343 474 V HA -0.207 3.913 4.120 0.001 0.000 0.247 474 V C 2.591 178.666 176.094 -0.031 0.000 1.051 474 V CA 2.428 64.708 62.300 -0.033 0.000 1.036 474 V CB -0.917 30.873 31.823 -0.054 0.000 0.654 474 V HN 0.660 nan 8.190 nan 0.000 0.451 475 E N 0.188 120.372 120.200 -0.026 0.000 2.038 475 E HA -0.299 4.051 4.350 0.001 0.000 0.195 475 E C 2.285 178.877 176.600 -0.012 0.000 1.000 475 E CA 1.870 58.257 56.400 -0.021 0.000 0.803 475 E CB -0.123 29.573 29.700 -0.005 0.000 0.750 475 E HN 0.701 nan 8.360 nan 0.000 0.448 476 E N 0.239 120.438 120.200 -0.002 0.000 2.033 476 E HA -0.249 4.101 4.350 0.001 0.000 0.199 476 E C 2.328 178.930 176.600 0.004 0.000 1.011 476 E CA 1.206 57.609 56.400 0.005 0.000 0.815 476 E CB -0.003 29.703 29.700 0.010 0.000 0.755 476 E HN 0.168 nan 8.360 nan 0.000 0.451 477 R N -0.071 120.430 120.500 0.002 0.000 2.136 477 R HA -0.229 4.112 4.340 0.001 0.000 0.242 477 R C 2.450 178.754 176.300 0.008 0.000 1.131 477 R CA 1.979 58.082 56.100 0.006 0.000 0.937 477 R CB -0.802 29.497 30.300 -0.001 0.000 0.863 477 R HN 0.179 nan 8.270 nan 0.000 0.435 478 V N 0.232 120.138 119.914 -0.013 0.000 2.287 478 V HA -0.279 3.841 4.120 0.001 0.000 0.248 478 V C 2.476 178.559 176.094 -0.019 0.000 1.053 478 V CA 2.125 64.407 62.300 -0.031 0.000 1.027 478 V CB -0.585 31.195 31.823 -0.071 0.000 0.646 478 V HN 0.418 nan 8.190 nan 0.000 0.447 479 S N -0.542 115.150 115.700 -0.012 0.000 2.374 479 S HA -0.178 4.293 4.470 0.001 0.000 0.227 479 S C 1.770 176.386 174.600 0.027 0.000 1.037 479 S CA 1.819 60.020 58.200 0.002 0.000 1.024 479 S CB -0.305 62.897 63.200 0.004 0.000 0.861 479 S HN 0.522 nan 8.310 nan 0.000 0.456 480 L N 0.287 121.529 121.223 0.033 0.000 2.492 480 L HA 0.250 4.590 4.340 0.001 0.000 0.223 480 L C 1.774 178.686 176.870 0.070 0.000 1.132 480 L CA 0.292 55.159 54.840 0.044 0.000 0.850 480 L CB -0.104 41.975 42.059 0.033 0.000 0.966 480 L HN 0.345 nan 8.230 nan 0.000 0.454 481 I N -1.472 119.154 120.570 0.093 0.000 2.731 481 I HA -0.094 4.076 4.170 0.001 0.000 0.260 481 I C 2.573 178.849 176.117 0.264 0.000 1.138 481 I CA 0.344 61.743 61.300 0.166 0.000 1.461 481 I CB -0.123 37.995 38.000 0.197 0.000 1.128 481 I HN 0.102 nan 8.210 nan 0.000 0.438 482 R N 0.972 121.592 120.500 0.200 0.000 2.117 482 R HA -0.141 4.199 4.340 0.001 0.000 0.243 482 R C 2.240 178.670 176.300 0.215 0.000 1.143 482 R CA 1.403 57.646 56.100 0.238 0.000 0.968 482 R CB -0.212 30.127 30.300 0.066 0.000 0.863 482 R HN 0.351 nan 8.270 nan 0.000 0.444 483 R N 0.058 120.635 120.500 0.129 0.000 2.235 483 R HA 0.047 4.388 4.340 0.001 0.000 0.213 483 R C 1.050 177.393 176.300 0.073 0.000 1.059 483 R CA 0.067 56.219 56.100 0.086 0.000 0.997 483 R CB 0.033 30.367 30.300 0.057 0.000 0.884 483 R HN 0.053 nan 8.270 nan 0.000 0.462 484 S N 0.000 115.749 115.700 0.082 0.000 2.498 484 S HA 0.000 4.470 4.470 0.001 0.000 0.327 484 S CA 0.000 58.224 58.200 0.039 0.000 1.107 484 S CB 0.000 63.219 63.200 0.031 0.000 0.593 484 S HN 0.000 nan 8.310 nan 0.000 0.517