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 3my0_1_D DATA FIRST_RESID 0 DATA SEQUENCE MXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXQRTVA DATA SEQUENCE RQVALVECVG KGRYGEVWRG LWHGESVAVK IFSSRDEQSW FRETEIYNTV DATA SEQUENCE LLRHDNILGF IASDMTSRNS STQLWLITHY HEHGSLYDFL QRQTLEPHLA DATA SEQUENCE LRLAVSAACG LAHLHVEIFG TQGKPAIAHR DFKSRNVLVK SNLQCCIADL DATA SEQUENCE GLAVMHSQGS DYLDIGNNPR VGTKRYMAPE VLDEQIRTDC FESYKWTDIW DATA SEQUENCE AFGLVLWEIA RRTIVNGIVE DYRPPFYDVV PNDPSFEDMK KVVCVDQQTP DATA SEQUENCE TIPNRLAADP VLSGLAQMMR ECWYPNPSAR LTALRIKKTL QK 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 0 M HA 0.000 nan 4.480 nan 0.000 0.227 0 M C 0.000 176.260 176.300 -0.066 0.000 1.140 0 M CA 0.000 55.281 55.300 -0.031 0.000 0.988 0 M CB 0.000 32.585 32.600 -0.025 0.000 1.302 196 R N 1.492 121.945 120.500 -0.079 0.000 2.115 196 R HA -0.113 4.227 4.340 0.000 0.000 0.239 196 R C 1.897 178.144 176.300 -0.089 0.000 1.133 196 R CA 2.268 58.327 56.100 -0.068 0.000 0.935 196 R CB -2.303 27.971 30.300 -0.043 0.000 0.853 196 R HN 0.395 nan 8.270 nan 0.000 0.433 197 T N -2.124 112.380 114.554 -0.083 0.000 3.624 197 T HA 0.443 4.793 4.350 0.000 0.000 0.231 197 T C 0.925 175.546 174.700 -0.131 0.000 0.865 197 T CA 0.392 62.454 62.100 -0.063 0.000 0.926 197 T CB 0.431 69.293 68.868 -0.009 0.000 1.189 197 T HN 0.146 nan 8.240 nan 0.000 0.640 198 V N -0.126 119.638 119.914 -0.249 0.000 3.137 198 V HA 0.301 4.421 4.120 0.000 0.000 0.236 198 V C 2.704 178.678 176.094 -0.199 0.000 1.260 198 V CA 0.715 62.725 62.300 -0.482 0.000 1.244 198 V CB -0.420 30.931 31.823 -0.786 0.000 1.016 198 V HN 0.595 nan 8.190 nan 0.000 0.477 199 A N 0.958 123.720 122.820 -0.097 0.000 1.940 199 A HA -0.241 4.079 4.320 0.000 0.000 0.219 199 A C 2.366 179.955 177.584 0.008 0.000 1.176 199 A CA 2.710 54.774 52.037 0.045 0.000 0.631 199 A CB -0.592 18.395 19.000 -0.021 0.000 0.814 199 A HN 0.513 nan 8.150 nan 0.000 0.446 200 R N -0.615 119.857 120.500 -0.046 0.000 2.093 200 R HA 0.001 4.341 4.340 0.000 0.000 0.224 200 R C 2.023 178.347 176.300 0.039 0.000 1.101 200 R CA 1.615 57.696 56.100 -0.032 0.000 0.979 200 R CB -1.047 29.230 30.300 -0.039 0.000 0.877 200 R HN 0.788 nan 8.270 nan 0.000 0.441 201 Q N -0.080 119.763 119.800 0.070 0.000 2.354 201 Q HA 0.143 4.483 4.340 0.000 0.000 0.203 201 Q C 0.236 176.376 176.000 0.233 0.000 0.933 201 Q CA 0.187 56.093 55.803 0.172 0.000 0.901 201 Q CB 0.444 29.361 28.738 0.299 0.000 1.007 201 Q HN 0.412 nan 8.270 nan 0.000 0.495 202 V N 2.010 122.043 119.914 0.198 0.000 2.540 202 V HA 0.080 4.200 4.120 0.000 0.000 0.297 202 V C 0.180 176.371 176.094 0.161 0.000 1.024 202 V CA -0.153 62.274 62.300 0.212 0.000 1.105 202 V CB 0.428 32.354 31.823 0.172 0.000 0.938 202 V HN 0.154 nan 8.190 nan 0.000 0.482 203 A N 6.574 129.466 122.820 0.119 0.000 2.292 203 A HA 0.748 5.069 4.320 0.000 0.000 0.319 203 A C -0.480 177.115 177.584 0.019 0.000 1.206 203 A CA -0.628 51.446 52.037 0.062 0.000 0.835 203 A CB 0.436 19.467 19.000 0.052 0.000 1.164 203 A HN 0.821 nan 8.150 nan 0.000 0.505 204 L N 3.512 124.714 121.223 -0.034 0.000 2.276 204 L HA 0.318 4.658 4.340 0.000 0.000 0.286 204 L C 0.662 177.569 176.870 0.062 0.000 1.061 204 L CA -0.431 54.370 54.840 -0.064 0.000 0.807 204 L CB 1.379 43.217 42.059 -0.368 0.000 1.177 204 L HN 0.613 nan 8.230 nan 0.000 0.429 205 V N 1.454 121.459 119.914 0.151 0.000 2.854 205 V HA 0.157 4.277 4.120 0.000 0.000 0.236 205 V C 0.306 176.528 176.094 0.213 0.000 1.157 205 V CA 0.329 62.711 62.300 0.137 0.000 1.187 205 V CB 0.482 32.329 31.823 0.040 0.000 0.949 205 V HN 0.807 nan 8.190 nan 0.000 0.488 206 E N -0.827 119.496 120.200 0.206 0.000 2.308 206 E HA 0.331 4.681 4.350 0.000 0.000 0.275 206 E C -1.489 174.995 176.600 -0.193 0.000 0.890 206 E CA -0.528 55.888 56.400 0.026 0.000 0.754 206 E CB 2.092 31.776 29.700 -0.027 0.000 1.207 206 E HN 0.300 nan 8.360 nan 0.000 0.426 207 C N 5.525 124.380 119.300 -0.741 0.000 2.373 207 C HA 0.376 4.836 4.460 0.000 0.000 0.354 207 C C 1.249 175.937 174.990 -0.503 0.000 1.249 207 C CA -0.183 58.131 59.018 -1.173 0.000 1.784 207 C CB -0.862 25.894 27.740 -1.639 0.000 2.408 207 C HN 0.617 nan 8.230 nan 0.000 0.542 208 V N 4.106 123.842 119.914 -0.297 0.000 3.578 208 V HA 0.590 4.710 4.120 0.000 0.000 0.290 208 V C 0.712 176.771 176.094 -0.059 0.000 1.376 208 V CA 0.664 62.907 62.300 -0.095 0.000 1.083 208 V CB -0.452 31.408 31.823 0.063 0.000 0.911 208 V HN 1.092 nan 8.190 nan 0.000 0.433 209 G N -0.708 108.027 108.800 -0.107 0.000 2.702 209 G HA2 0.722 4.682 3.960 0.000 0.000 0.296 209 G HA3 0.722 4.682 3.960 0.000 0.000 0.296 209 G C -1.266 173.610 174.900 -0.040 0.000 1.463 209 G CA 0.061 45.158 45.100 -0.004 0.000 0.890 209 G HN 0.665 nan 8.290 nan 0.000 0.534 210 K N -0.657 119.710 120.400 -0.056 0.000 2.542 210 K HA 1.018 5.338 4.320 0.000 0.000 0.259 210 K C 0.001 176.407 176.600 -0.324 0.000 0.932 210 K CA 0.058 56.225 56.287 -0.199 0.000 0.820 210 K CB 1.808 34.216 32.500 -0.154 0.000 1.345 210 K HN 2.514 nan 8.250 nan 0.000 0.432 211 G N -1.181 107.255 108.800 -0.605 0.000 2.427 211 G HA2 0.553 4.513 3.960 0.000 0.000 0.306 211 G HA3 0.553 4.513 3.960 0.000 0.000 0.306 211 G C 0.667 175.245 174.900 -0.537 0.000 1.280 211 G CA 0.965 45.714 45.100 -0.585 0.000 0.837 211 G HN 1.336 nan 8.290 nan 0.000 0.482 212 R N -1.256 119.065 120.500 -0.299 0.000 2.148 212 R HA 0.077 4.418 4.340 0.000 0.000 0.223 212 R C 2.240 178.500 176.300 -0.068 0.000 1.088 212 R CA 2.531 58.561 56.100 -0.116 0.000 0.985 212 R CB -1.678 28.624 30.300 0.003 0.000 0.880 212 R HN 1.141 nan 8.270 nan 0.000 0.451 213 Y N -2.027 118.287 120.300 0.024 0.000 2.421 213 Y HA 0.336 4.886 4.550 0.000 0.000 0.292 213 Y C 1.279 177.167 175.900 -0.021 0.000 1.136 213 Y CA -0.061 58.049 58.100 0.017 0.000 1.255 213 Y CB -0.220 38.219 38.460 -0.035 0.000 0.991 213 Y HN 0.513 nan 8.280 nan 0.000 0.552 214 G N -0.271 108.343 108.800 -0.310 0.000 2.178 214 G HA2 0.052 4.012 3.960 0.000 0.000 0.147 214 G HA3 0.052 4.012 3.960 0.000 0.000 0.147 214 G C -1.303 173.459 174.900 -0.231 0.000 1.245 214 G CA -0.342 44.681 45.100 -0.129 0.000 1.275 214 G HN 0.316 nan 8.290 nan 0.000 0.491 215 E N -1.330 118.888 120.200 0.031 0.000 2.390 215 E HA 0.581 4.931 4.350 0.000 0.000 0.277 215 E C -1.462 175.264 176.600 0.210 0.000 0.939 215 E CA -0.817 55.642 56.400 0.098 0.000 0.769 215 E CB 3.177 32.980 29.700 0.171 0.000 1.251 215 E HN 0.436 nan 8.360 nan 0.000 0.450 216 V N 1.702 121.710 119.914 0.157 0.000 2.495 216 V HA 0.449 4.569 4.120 0.000 0.000 0.298 216 V C -1.258 174.869 176.094 0.055 0.000 1.031 216 V CA -0.695 61.686 62.300 0.135 0.000 0.871 216 V CB 0.922 32.808 31.823 0.105 0.000 0.988 216 V HN 0.585 nan 8.190 nan 0.000 0.432 217 W N 2.882 124.147 121.300 -0.060 0.000 2.689 217 W HA 0.647 5.307 4.660 0.000 0.000 0.340 217 W C 0.218 176.674 176.519 -0.105 0.000 1.060 217 W CA -0.768 56.526 57.345 -0.086 0.000 1.218 217 W CB 1.362 30.726 29.460 -0.159 0.000 1.410 217 W HN 0.366 nan 8.180 nan 0.000 0.528 218 R N 1.547 122.070 120.500 0.037 0.000 2.340 218 R HA 0.600 4.940 4.340 0.000 0.000 0.300 218 R C 0.136 176.363 176.300 -0.122 0.000 1.069 218 R CA -0.029 55.902 56.100 -0.281 0.000 0.984 218 R CB 0.273 30.241 30.300 -0.552 0.000 1.003 218 R HN 0.745 nan 8.270 nan 0.000 0.459 219 G N 3.479 112.185 108.800 -0.156 0.000 2.533 219 G HA2 0.469 4.429 3.960 0.000 0.000 0.304 219 G HA3 0.469 4.429 3.960 0.000 0.000 0.304 219 G C -1.441 173.435 174.900 -0.039 0.000 1.263 219 G CA -0.754 44.313 45.100 -0.056 0.000 0.964 219 G HN 0.483 nan 8.290 nan 0.000 0.479 220 L N 0.764 121.997 121.223 0.018 0.000 2.296 220 L HA 0.545 4.885 4.340 0.000 0.000 0.286 220 L C -1.398 175.560 176.870 0.147 0.000 1.023 220 L CA -0.850 54.014 54.840 0.040 0.000 0.812 220 L CB 1.729 43.791 42.059 0.004 0.000 1.223 220 L HN 0.672 nan 8.230 nan 0.000 0.421 221 W N 3.732 125.019 121.300 -0.023 0.000 2.647 221 W HA 0.411 5.071 4.660 0.000 0.000 0.328 221 W C 0.519 177.032 176.519 -0.009 0.000 1.018 221 W CA -0.127 57.213 57.345 -0.009 0.000 1.245 221 W CB 0.281 29.740 29.460 -0.002 0.000 1.356 221 W HN 0.790 nan 8.180 nan 0.000 0.443 222 H N 2.752 121.244 119.070 -0.963 0.000 2.506 222 H HA 0.084 4.640 4.556 0.000 0.000 0.323 222 H C 1.716 176.734 175.328 -0.517 0.000 1.076 222 H CA 1.910 57.424 56.048 -0.890 0.000 1.108 222 H CB -1.513 27.353 29.762 -1.494 0.000 1.569 222 H HN 2.394 nan 8.280 nan 0.000 0.399 223 G N -1.377 107.250 108.800 -0.288 0.000 2.458 223 G HA2 -0.253 3.707 3.960 0.000 0.000 0.237 223 G HA3 -0.253 3.707 3.960 0.000 0.000 0.237 223 G C 0.418 175.246 174.900 -0.120 0.000 1.113 223 G CA 0.854 45.849 45.100 -0.174 0.000 0.655 223 G HN 1.288 nan 8.290 nan 0.000 0.513 224 E N 0.811 120.936 120.200 -0.126 0.000 2.345 224 E HA 0.562 4.912 4.350 0.000 0.000 0.259 224 E C -0.230 176.378 176.600 0.014 0.000 1.117 224 E CA -0.054 56.325 56.400 -0.035 0.000 0.913 224 E CB 0.991 30.699 29.700 0.014 0.000 1.057 224 E HN 0.188 nan 8.360 nan 0.000 0.432 225 S N 0.800 116.513 115.700 0.021 0.000 2.508 225 S HA 0.382 4.852 4.470 0.000 0.000 0.284 225 S C -0.442 174.194 174.600 0.060 0.000 1.192 225 S CA -0.807 57.389 58.200 -0.007 0.000 1.070 225 S CB 0.974 64.159 63.200 -0.025 0.000 1.004 225 S HN 0.380 nan 8.310 nan 0.000 0.493 226 V N 0.175 120.102 119.914 0.022 0.000 3.001 226 V HA 1.002 5.122 4.120 0.000 0.000 0.314 226 V C -0.276 175.844 176.094 0.044 0.000 1.099 226 V CA -1.385 60.966 62.300 0.085 0.000 0.989 226 V CB 1.411 33.291 31.823 0.096 0.000 1.040 226 V HN 0.880 nan 8.190 nan 0.000 0.434 227 A N 2.262 125.166 122.820 0.142 0.000 2.290 227 A HA 0.797 5.117 4.320 0.000 0.000 0.310 227 A C -0.432 177.186 177.584 0.058 0.000 1.202 227 A CA -0.568 51.566 52.037 0.161 0.000 0.837 227 A CB 1.083 20.218 19.000 0.226 0.000 1.139 227 A HN 1.425 nan 8.150 nan 0.000 0.509 228 V N 3.656 123.579 119.914 0.016 0.000 2.326 228 V HA 0.267 4.387 4.120 0.000 0.000 0.281 228 V C 0.199 176.254 176.094 -0.065 0.000 1.015 228 V CA -0.589 61.650 62.300 -0.101 0.000 0.823 228 V CB 1.105 32.712 31.823 -0.361 0.000 1.009 228 V HN 0.903 nan 8.190 nan 0.000 0.436 229 K N 5.698 126.104 120.400 0.009 0.000 2.284 229 K HA 0.496 4.817 4.320 0.000 0.000 0.287 229 K C -0.654 175.958 176.600 0.019 0.000 1.081 229 K CA -0.382 55.906 56.287 0.001 0.000 0.910 229 K CB 0.479 32.949 32.500 -0.050 0.000 1.088 229 K HN 0.630 nan 8.250 nan 0.000 0.478 230 I N 5.894 126.450 120.570 -0.023 0.000 2.304 230 I HA 0.173 4.343 4.170 0.000 0.000 0.291 230 I C -0.210 176.003 176.117 0.160 0.000 1.018 230 I CA -0.647 60.694 61.300 0.069 0.000 1.260 230 I CB 0.445 38.434 38.000 -0.019 0.000 1.390 230 I HN 0.446 nan 8.210 nan 0.000 0.475 231 F N 4.034 124.093 119.950 0.182 0.000 2.389 231 F HA 0.213 4.740 4.527 0.000 0.000 0.337 231 F C 1.252 177.124 175.800 0.120 0.000 1.112 231 F CA -0.201 57.911 58.000 0.187 0.000 1.192 231 F CB 1.186 40.308 39.000 0.203 0.000 1.185 231 F HN 0.480 nan 8.300 nan 0.000 0.552 232 S N 0.495 116.357 115.700 0.271 0.000 2.632 232 S HA 0.149 4.619 4.470 0.000 0.000 0.267 232 S C 0.888 175.587 174.600 0.166 0.000 1.276 232 S CA -0.503 57.795 58.200 0.163 0.000 0.998 232 S CB 1.354 64.612 63.200 0.098 0.000 0.953 232 S HN 0.626 nan 8.310 nan 0.000 0.547 233 S N 1.508 117.268 115.700 0.099 0.000 2.383 233 S HA -0.108 4.362 4.470 0.000 0.000 0.229 233 S C 2.431 177.079 174.600 0.080 0.000 1.030 233 S CA 1.316 59.558 58.200 0.069 0.000 1.002 233 S CB -0.994 62.230 63.200 0.040 0.000 0.829 233 S HN 0.946 nan 8.310 nan 0.000 0.467 234 R N 1.052 121.604 120.500 0.087 0.000 2.285 234 R HA 0.040 4.380 4.340 0.000 0.000 0.213 234 R C 1.326 177.703 176.300 0.128 0.000 1.068 234 R CA 1.602 57.755 56.100 0.088 0.000 1.004 234 R CB -0.857 29.487 30.300 0.074 0.000 0.873 234 R HN 0.407 nan 8.270 nan 0.000 0.467 235 D N -1.142 119.371 120.400 0.189 0.000 2.599 235 D HA 0.119 4.759 4.640 0.000 0.000 0.249 235 D C 0.819 177.297 176.300 0.297 0.000 1.313 235 D CA -0.197 53.967 54.000 0.273 0.000 0.815 235 D CB 0.155 41.183 40.800 0.381 0.000 1.077 235 D HN 0.579 nan 8.370 nan 0.000 0.492 236 E N -0.249 120.063 120.200 0.186 0.000 2.171 236 E HA -0.258 4.092 4.350 0.000 0.000 0.197 236 E C 1.384 178.099 176.600 0.192 0.000 0.997 236 E CA 0.852 57.331 56.400 0.131 0.000 0.810 236 E CB 0.214 29.945 29.700 0.052 0.000 0.738 236 E HN 0.138 nan 8.360 nan 0.000 0.467 237 Q N 0.241 120.140 119.800 0.165 0.000 2.297 237 Q HA -0.031 4.309 4.340 0.000 0.000 0.204 237 Q C 1.863 177.980 176.000 0.194 0.000 0.962 237 Q CA 1.106 57.015 55.803 0.177 0.000 0.879 237 Q CB 0.038 28.844 28.738 0.113 0.000 0.947 237 Q HN 0.021 nan 8.270 nan 0.000 0.462 238 S N -0.710 115.104 115.700 0.190 0.000 2.387 238 S HA -0.101 4.369 4.470 0.000 0.000 0.226 238 S C 1.159 175.786 174.600 0.045 0.000 1.026 238 S CA 0.828 59.139 58.200 0.186 0.000 0.972 238 S CB -0.496 62.923 63.200 0.366 0.000 0.814 238 S HN 0.690 nan 8.310 nan 0.000 0.477 239 W N 1.544 122.547 121.300 -0.496 0.000 2.358 239 W HA -0.174 4.486 4.660 0.000 0.000 0.303 239 W C 1.764 178.145 176.519 -0.230 0.000 1.208 239 W CA 1.153 57.996 57.345 -0.836 0.000 1.274 239 W CB -0.515 28.264 29.460 -1.136 0.000 1.138 239 W HN 0.266 nan 8.180 nan 0.000 0.515 240 F N 1.705 121.584 119.950 -0.118 0.000 2.075 240 F HA -0.146 4.381 4.527 0.000 0.000 0.297 240 F C 2.647 178.252 175.800 -0.325 0.000 1.113 240 F CA 2.474 60.299 58.000 -0.290 0.000 1.218 240 F CB -0.965 38.044 39.000 0.015 0.000 0.984 240 F HN -0.193 nan 8.300 nan 0.000 0.472 241 R N 0.848 121.259 120.500 -0.148 0.000 2.091 241 R HA -0.196 4.144 4.340 0.000 0.000 0.238 241 R C 2.232 178.331 176.300 -0.334 0.000 1.136 241 R CA 2.139 58.096 56.100 -0.239 0.000 0.959 241 R CB -0.835 29.414 30.300 -0.086 0.000 0.856 241 R HN 0.500 nan 8.270 nan 0.000 0.437 242 E N -1.466 118.567 120.200 -0.278 0.000 2.107 242 E HA -0.108 4.242 4.350 0.000 0.000 0.191 242 E C 1.403 177.820 176.600 -0.304 0.000 0.982 242 E CA 1.551 57.808 56.400 -0.238 0.000 0.809 242 E CB 0.064 29.761 29.700 -0.005 0.000 0.756 242 E HN 0.362 nan 8.360 nan 0.000 0.459 243 T N 0.638 114.881 114.554 -0.518 0.000 2.708 243 T HA -0.205 4.145 4.350 0.000 0.000 0.266 243 T C 1.665 176.037 174.700 -0.547 0.000 1.037 243 T CA 1.472 63.215 62.100 -0.595 0.000 1.146 243 T CB -0.249 68.027 68.868 -0.987 0.000 0.865 243 T HN 0.336 nan 8.240 nan 0.000 0.435 244 E N 0.734 120.553 120.200 -0.636 0.000 2.033 244 E HA -0.160 4.190 4.350 0.000 0.000 0.199 244 E C 2.224 178.582 176.600 -0.404 0.000 1.011 244 E CA 1.370 57.444 56.400 -0.542 0.000 0.815 244 E CB -0.307 29.027 29.700 -0.610 0.000 0.755 244 E HN 0.474 nan 8.360 nan 0.000 0.451 245 I N -0.020 120.306 120.570 -0.406 0.000 2.226 245 I HA -0.273 3.897 4.170 0.000 0.000 0.245 245 I C 2.261 178.149 176.117 -0.382 0.000 1.100 245 I CA 1.147 62.219 61.300 -0.379 0.000 1.374 245 I CB -0.360 37.381 38.000 -0.430 0.000 1.057 245 I HN 0.229 nan 8.210 nan 0.000 0.413 246 Y N 1.056 121.063 120.300 -0.489 0.000 2.293 246 Y HA -0.161 4.389 4.550 0.000 0.000 0.291 246 Y C 2.389 177.918 175.900 -0.619 0.000 1.137 246 Y CA 1.106 58.798 58.100 -0.680 0.000 1.202 246 Y CB -0.539 37.125 38.460 -1.327 0.000 0.990 246 Y HN 0.248 nan 8.280 nan 0.000 0.537 247 N N -1.603 116.878 118.700 -0.364 0.000 2.446 247 N HA -0.047 4.693 4.740 0.000 0.000 0.179 247 N C 1.324 176.749 175.510 -0.143 0.000 1.054 247 N CA 1.167 54.091 53.050 -0.210 0.000 0.905 247 N CB 0.123 38.501 38.487 -0.181 0.000 0.973 247 N HN 0.275 nan 8.380 nan 0.000 0.448 248 T N -0.168 114.282 114.554 -0.172 0.000 2.999 248 T HA 0.198 4.548 4.350 0.000 0.000 0.247 248 T C 0.577 175.205 174.700 -0.119 0.000 1.012 248 T CA 0.095 62.110 62.100 -0.142 0.000 1.048 248 T CB 1.026 69.789 68.868 -0.175 0.000 1.020 248 T HN -0.198 nan 8.240 nan 0.000 0.478 249 V N 2.844 122.680 119.914 -0.130 0.000 2.459 249 V HA 0.414 4.534 4.120 0.000 0.000 0.295 249 V C -0.184 175.878 176.094 -0.053 0.000 1.029 249 V CA -0.879 61.356 62.300 -0.109 0.000 0.874 249 V CB 1.750 33.483 31.823 -0.150 0.000 0.985 249 V HN 0.331 nan 8.190 nan 0.000 0.438 250 L N 5.483 126.691 121.223 -0.026 0.000 2.536 250 L HA 0.128 4.468 4.340 0.000 0.000 0.282 250 L C 0.698 177.612 176.870 0.072 0.000 1.174 250 L CA 0.171 55.027 54.840 0.027 0.000 0.989 250 L CB 0.238 42.313 42.059 0.027 0.000 1.311 250 L HN 0.593 nan 8.230 nan 0.000 0.455 251 L N 3.038 124.330 121.223 0.115 0.000 2.781 251 L HA 0.199 4.539 4.340 0.000 0.000 0.245 251 L C 1.352 178.394 176.870 0.288 0.000 1.118 251 L CA 0.197 55.156 54.840 0.197 0.000 0.918 251 L CB -0.059 42.062 42.059 0.105 0.000 1.246 251 L HN 0.496 nan 8.230 nan 0.000 0.526 252 R N 0.898 121.526 120.500 0.213 0.000 2.500 252 R HA -0.074 4.266 4.340 0.000 0.000 0.281 252 R C -0.905 175.495 176.300 0.167 0.000 0.953 252 R CA 0.743 56.953 56.100 0.184 0.000 1.108 252 R CB -0.141 30.238 30.300 0.132 0.000 0.901 252 R HN 0.347 nan 8.270 nan 0.000 0.410 253 H N 2.522 121.592 119.070 0.001 0.000 3.121 253 H HA 0.040 4.596 4.556 0.000 0.000 0.337 253 H C -0.434 174.879 175.328 -0.026 0.000 1.198 253 H CA -0.559 55.410 56.048 -0.133 0.000 1.274 253 H CB 1.652 31.153 29.762 -0.434 0.000 1.954 253 H HN 0.736 nan 8.280 nan 0.000 0.531 254 D N 2.209 122.456 120.400 -0.254 0.000 2.190 254 D HA -0.143 4.497 4.640 0.000 0.000 0.200 254 D C 0.457 176.826 176.300 0.115 0.000 0.992 254 D CA 1.451 55.417 54.000 -0.057 0.000 0.854 254 D CB 0.109 40.822 40.800 -0.145 0.000 0.936 254 D HN 0.510 nan 8.370 nan 0.000 0.462 255 N N -0.596 118.316 118.700 0.353 0.000 2.320 255 N HA 0.279 5.019 4.740 0.000 0.000 0.237 255 N C -0.447 175.201 175.510 0.229 0.000 1.129 255 N CA -0.033 53.182 53.050 0.275 0.000 0.854 255 N CB 0.943 39.593 38.487 0.271 0.000 1.083 255 N HN 0.096 nan 8.380 nan 0.000 0.504 256 I N 0.738 121.455 120.570 0.245 0.000 2.619 256 I HA 0.196 4.366 4.170 0.000 0.000 0.292 256 I C -0.876 175.394 176.117 0.255 0.000 1.100 256 I CA -1.212 60.228 61.300 0.233 0.000 1.043 256 I CB 2.290 40.432 38.000 0.237 0.000 1.239 256 I HN -0.066 nan 8.210 nan 0.000 0.420 257 L N 5.466 126.852 121.223 0.271 0.000 2.559 257 L HA 0.289 4.629 4.340 0.000 0.000 0.274 257 L C 0.716 177.704 176.870 0.197 0.000 1.205 257 L CA 0.549 55.554 54.840 0.274 0.000 0.907 257 L CB 0.346 42.568 42.059 0.271 0.000 1.153 257 L HN 0.683 nan 8.230 nan 0.000 0.490 258 G N 4.919 113.745 108.800 0.043 0.000 2.378 258 G HA2 0.176 4.136 3.960 0.000 0.000 0.255 258 G HA3 0.176 4.136 3.960 0.000 0.000 0.255 258 G C -0.782 173.848 174.900 -0.450 0.000 1.270 258 G CA -0.454 44.454 45.100 -0.319 0.000 0.876 258 G HN 0.662 nan 8.290 nan 0.000 0.521 259 F N 2.872 122.497 119.950 -0.542 0.000 2.394 259 F HA 0.555 5.082 4.527 0.000 0.000 0.340 259 F C 0.816 176.381 175.800 -0.392 0.000 1.105 259 F CA -0.874 56.739 58.000 -0.645 0.000 1.124 259 F CB 1.081 39.520 39.000 -0.936 0.000 1.145 259 F HN 0.307 nan 8.300 nan 0.000 0.505 260 I N 3.575 123.534 120.570 -1.019 0.000 3.673 260 I HA 0.422 4.592 4.170 0.000 0.000 0.281 260 I C 0.340 175.835 176.117 -1.037 0.000 1.182 260 I CA 0.063 60.901 61.300 -0.771 0.000 1.391 260 I CB 0.380 38.124 38.000 -0.427 0.000 1.383 260 I HN 0.641 nan 8.210 nan 0.000 0.456 261 A N -0.162 121.946 122.820 -1.187 0.000 2.601 261 A HA 0.711 5.031 4.320 0.000 0.000 0.291 261 A C -1.168 176.242 177.584 -0.290 0.000 1.075 261 A CA -0.332 51.286 52.037 -0.698 0.000 0.671 261 A CB 1.788 20.591 19.000 -0.327 0.000 1.277 261 A HN -0.050 nan 8.150 nan 0.000 0.417 262 S N -0.826 114.941 115.700 0.111 0.000 2.571 262 S HA 0.735 5.205 4.470 0.000 0.000 0.284 262 S C -0.866 173.934 174.600 0.334 0.000 1.128 262 S CA 0.698 59.104 58.200 0.344 0.000 0.970 262 S CB 1.234 64.631 63.200 0.329 0.000 1.039 262 S HN 1.847 nan 8.310 nan 0.000 0.485 263 D N 2.734 123.398 120.400 0.440 0.000 2.661 263 D HA 0.643 5.283 4.640 0.000 0.000 0.228 263 D C -0.834 175.565 176.300 0.165 0.000 1.183 263 D CA -0.579 53.563 54.000 0.236 0.000 0.844 263 D CB 1.781 42.601 40.800 0.032 0.000 1.555 263 D HN 0.664 nan 8.370 nan 0.000 0.453 264 M N 1.985 121.592 119.600 0.012 0.000 2.149 264 M HA 0.562 5.042 4.480 0.000 0.000 0.342 264 M C -0.517 175.624 176.300 -0.266 0.000 1.068 264 M CA -0.199 54.990 55.300 -0.184 0.000 0.991 264 M CB 1.440 33.960 32.600 -0.133 0.000 1.596 264 M HN 0.612 nan 8.290 nan 0.000 0.439 265 T N 1.326 115.627 114.554 -0.422 0.000 2.883 265 T HA 0.502 4.852 4.350 0.000 0.000 0.301 265 T C -0.396 174.075 174.700 -0.382 0.000 1.158 265 T CA -0.530 61.271 62.100 -0.498 0.000 1.007 265 T CB 1.767 70.075 68.868 -0.933 0.000 1.186 265 T HN 0.588 nan 8.240 nan 0.000 0.499 266 S N 1.014 116.539 115.700 -0.292 0.000 2.754 266 S HA 0.269 4.739 4.470 0.000 0.000 0.247 266 S C 1.966 176.466 174.600 -0.167 0.000 1.031 266 S CA 0.181 58.269 58.200 -0.187 0.000 1.014 266 S CB 0.319 63.443 63.200 -0.128 0.000 0.918 266 S HN 0.780 nan 8.310 nan 0.000 0.519 267 R N 2.173 122.528 120.500 -0.243 0.000 2.075 267 R HA 0.022 4.362 4.340 0.000 0.000 0.230 267 R C 1.066 177.325 176.300 -0.068 0.000 1.140 267 R CA 1.768 57.773 56.100 -0.159 0.000 0.928 267 R CB -2.027 28.146 30.300 -0.212 0.000 0.834 267 R HN 0.655 nan 8.270 nan 0.000 0.429 268 N N 0.488 119.175 118.700 -0.021 0.000 2.508 268 N HA 0.232 4.973 4.740 0.000 0.000 0.264 268 N C 1.340 176.839 175.510 -0.019 0.000 1.216 268 N CA 0.280 53.339 53.050 0.015 0.000 0.943 268 N CB 0.581 39.116 38.487 0.081 0.000 1.113 268 N HN 0.566 nan 8.380 nan 0.000 0.447 269 S N -0.083 115.609 115.700 -0.012 0.000 2.444 269 S HA -0.142 4.328 4.470 0.000 0.000 0.225 269 S C 1.382 175.963 174.600 -0.031 0.000 1.042 269 S CA 1.735 59.922 58.200 -0.022 0.000 1.132 269 S CB -0.553 62.641 63.200 -0.011 0.000 1.099 269 S HN 1.120 nan 8.310 nan 0.000 0.417 270 S N 1.812 117.502 115.700 -0.017 0.000 2.576 270 S HA 0.256 4.726 4.470 0.000 0.000 0.272 270 S C 0.189 174.764 174.600 -0.042 0.000 1.352 270 S CA -0.329 57.857 58.200 -0.023 0.000 1.021 270 S CB 0.347 63.544 63.200 -0.006 0.000 0.887 270 S HN 0.605 nan 8.310 nan 0.000 0.542 271 T N -1.257 113.260 114.554 -0.061 0.000 2.779 271 T HA 0.559 4.909 4.350 0.000 0.000 0.296 271 T C -0.219 174.426 174.700 -0.092 0.000 0.938 271 T CA -0.226 61.812 62.100 -0.103 0.000 1.119 271 T CB 0.321 69.121 68.868 -0.113 0.000 0.891 271 T HN 1.129 nan 8.240 nan 0.000 0.526 272 Q N 3.233 122.968 119.800 -0.109 0.000 2.413 272 Q HA 0.688 5.029 4.340 0.000 0.000 0.276 272 Q C -0.791 175.155 176.000 -0.090 0.000 1.099 272 Q CA -1.000 54.797 55.803 -0.010 0.000 0.814 272 Q CB 1.438 30.306 28.738 0.217 0.000 1.379 272 Q HN 0.873 nan 8.270 nan 0.000 0.436 273 L N 1.730 122.901 121.223 -0.086 0.000 2.265 273 L HA 0.642 4.982 4.340 0.000 0.000 0.288 273 L C -0.883 176.153 176.870 0.277 0.000 1.058 273 L CA -0.324 54.276 54.840 -0.401 0.000 0.809 273 L CB 0.798 42.201 42.059 -1.092 0.000 1.179 273 L HN 0.745 nan 8.230 nan 0.000 0.429 274 W N 4.671 126.017 121.300 0.076 0.000 2.666 274 W HA 0.612 5.273 4.660 0.000 0.000 0.334 274 W C -0.897 175.958 176.519 0.560 0.000 1.051 274 W CA -0.991 56.542 57.345 0.313 0.000 1.224 274 W CB 1.551 31.107 29.460 0.160 0.000 1.405 274 W HN 0.085 nan 8.180 nan 0.000 0.513 275 L N 4.332 125.990 121.223 0.725 0.000 2.349 275 L HA 0.614 4.954 4.340 0.000 0.000 0.278 275 L C -0.992 176.043 176.870 0.275 0.000 0.996 275 L CA -0.746 54.424 54.840 0.551 0.000 0.825 275 L CB 0.993 43.466 42.059 0.690 0.000 1.243 275 L HN 0.292 nan 8.230 nan 0.000 0.412 276 I N 4.367 125.003 120.570 0.110 0.000 2.377 276 I HA 0.640 4.810 4.170 0.000 0.000 0.293 276 I C 0.222 176.245 176.117 -0.157 0.000 0.987 276 I CA -0.120 61.166 61.300 -0.023 0.000 1.185 276 I CB 1.912 39.879 38.000 -0.056 0.000 1.341 276 I HN 0.754 nan 8.210 nan 0.000 0.455 277 T N 0.375 114.882 114.554 -0.079 0.000 2.804 277 T HA 0.459 4.809 4.350 0.000 0.000 0.290 277 T C -0.264 174.428 174.700 -0.014 0.000 1.099 277 T CA -0.907 61.119 62.100 -0.124 0.000 1.011 277 T CB 0.779 69.620 68.868 -0.045 0.000 1.291 277 T HN 0.492 nan 8.240 nan 0.000 0.523 278 H N -0.541 118.497 119.070 -0.054 0.000 2.929 278 H HA 0.252 4.809 4.556 0.000 0.000 0.358 278 H C -1.057 174.166 175.328 -0.176 0.000 1.111 278 H CA -0.137 55.844 56.048 -0.112 0.000 1.409 278 H CB 0.296 29.966 29.762 -0.153 0.000 1.373 278 H HN 0.539 nan 8.280 nan 0.000 0.610 279 Y N 1.525 121.698 120.300 -0.212 0.000 2.360 279 Y HA 0.233 4.783 4.550 0.000 0.000 0.337 279 Y C -0.865 174.782 175.900 -0.422 0.000 1.039 279 Y CA -0.917 57.045 58.100 -0.231 0.000 1.109 279 Y CB 0.816 39.225 38.460 -0.084 0.000 1.201 279 Y HN 0.629 nan 8.280 nan 0.000 0.458 280 H N 4.413 123.111 119.070 -0.621 0.000 2.800 280 H HA 0.249 4.805 4.556 0.000 0.000 0.322 280 H C 0.506 175.403 175.328 -0.719 0.000 0.979 280 H CA -0.567 55.185 56.048 -0.494 0.000 1.277 280 H CB 1.575 31.197 29.762 -0.234 0.000 1.484 280 H HN 0.798 nan 8.280 nan 0.000 0.512 281 E N 1.507 121.442 120.200 -0.441 0.000 2.118 281 E HA -0.212 4.138 4.350 0.000 0.000 0.195 281 E C 0.751 177.289 176.600 -0.103 0.000 0.992 281 E CA 1.120 57.354 56.400 -0.277 0.000 0.804 281 E CB 0.065 29.688 29.700 -0.128 0.000 0.741 281 E HN 0.737 nan 8.360 nan 0.000 0.458 282 H N -0.240 118.803 119.070 -0.046 0.000 2.545 282 H HA 0.004 4.560 4.556 0.000 0.000 0.282 282 H C 1.256 176.597 175.328 0.022 0.000 1.020 282 H CA -0.075 55.992 56.048 0.032 0.000 1.243 282 H CB 0.100 29.865 29.762 0.005 0.000 1.377 282 H HN 0.259 nan 8.280 nan 0.000 0.581 283 G N 0.317 109.148 108.800 0.051 0.000 2.598 283 G HA2 -0.334 3.626 3.960 0.000 0.000 0.244 283 G HA3 -0.334 3.626 3.960 0.000 0.000 0.244 283 G C 0.186 175.112 174.900 0.044 0.000 1.302 283 G CA -0.093 45.023 45.100 0.027 0.000 0.903 283 G HN 0.540 nan 8.290 nan 0.000 0.575 284 S N -0.782 114.951 115.700 0.055 0.000 2.608 284 S HA 0.470 4.940 4.470 0.000 0.000 0.261 284 S C 1.529 176.173 174.600 0.073 0.000 1.314 284 S CA 0.314 58.540 58.200 0.044 0.000 0.992 284 S CB 1.433 64.662 63.200 0.048 0.000 0.935 284 S HN 1.761 nan 8.310 nan 0.000 0.564 285 L N 0.538 121.788 121.223 0.044 0.000 2.083 285 L HA -0.016 4.324 4.340 0.000 0.000 0.209 285 L C 2.122 179.050 176.870 0.096 0.000 1.083 285 L CA 1.740 56.623 54.840 0.072 0.000 0.752 285 L CB -1.385 40.691 42.059 0.030 0.000 0.899 285 L HN 0.860 nan 8.230 nan 0.000 0.433 286 Y N 0.549 120.823 120.300 -0.043 0.000 2.053 286 Y HA -0.335 4.215 4.550 0.000 0.000 0.277 286 Y C 2.367 178.137 175.900 -0.218 0.000 1.159 286 Y CA 2.332 60.344 58.100 -0.145 0.000 1.125 286 Y CB -0.356 38.056 38.460 -0.080 0.000 0.969 286 Y HN 0.325 nan 8.280 nan 0.000 0.492 287 D N -0.443 120.001 120.400 0.073 0.000 2.104 287 D HA -0.236 4.404 4.640 0.000 0.000 0.194 287 D C 2.071 178.332 176.300 -0.066 0.000 0.994 287 D CA 1.746 55.747 54.000 0.003 0.000 0.830 287 D CB -0.803 40.058 40.800 0.101 0.000 0.959 287 D HN 0.404 nan 8.370 nan 0.000 0.452 288 F N 1.542 121.405 119.950 -0.145 0.000 2.102 288 F HA -0.100 4.427 4.527 -0.000 0.000 0.298 288 F C 2.277 177.957 175.800 -0.201 0.000 1.105 288 F CA 1.001 58.901 58.000 -0.167 0.000 1.239 288 F CB -0.309 38.603 39.000 -0.147 0.000 0.991 288 F HN -0.127 nan 8.300 nan 0.000 0.474 289 L N -0.222 120.915 121.223 -0.143 0.000 2.275 289 L HA -0.200 4.140 4.340 0.000 0.000 0.215 289 L C 2.308 178.958 176.870 -0.366 0.000 1.119 289 L CA 1.119 55.818 54.840 -0.234 0.000 0.790 289 L CB -0.703 41.304 42.059 -0.086 0.000 0.919 289 L HN 0.277 nan 8.230 nan 0.000 0.443 290 Q N 0.428 119.920 119.800 -0.513 0.000 2.020 290 Q HA -0.203 4.137 4.340 0.000 0.000 0.202 290 Q C 2.550 178.382 176.000 -0.280 0.000 0.982 290 Q CA 2.821 58.347 55.803 -0.461 0.000 0.838 290 Q CB -0.033 28.427 28.738 -0.463 0.000 0.899 290 Q HN 0.408 nan 8.270 nan 0.000 0.423 291 R N -0.145 120.180 120.500 -0.291 0.000 2.128 291 R HA 0.168 4.508 4.340 0.000 0.000 0.211 291 R C 0.745 176.863 176.300 -0.302 0.000 1.067 291 R CA 0.848 56.799 56.100 -0.248 0.000 1.010 291 R CB -0.416 29.757 30.300 -0.213 0.000 0.922 291 R HN 0.298 nan 8.270 nan 0.000 0.457 292 Q N 0.920 120.439 119.800 -0.468 0.000 2.266 292 Q HA 0.353 4.693 4.340 0.000 0.000 0.261 292 Q C -0.713 175.057 176.000 -0.383 0.000 0.985 292 Q CA -0.262 55.227 55.803 -0.523 0.000 0.873 292 Q CB 2.000 30.143 28.738 -0.992 0.000 1.306 292 Q HN 0.549 nan 8.270 nan 0.000 0.447 293 T N -1.023 113.376 114.554 -0.260 0.000 2.929 293 T HA 0.710 5.060 4.350 0.000 0.000 0.284 293 T C -0.051 174.568 174.700 -0.135 0.000 1.014 293 T CA -0.793 61.204 62.100 -0.172 0.000 1.051 293 T CB 0.670 69.463 68.868 -0.126 0.000 1.028 293 T HN 0.387 nan 8.240 nan 0.000 0.485 294 L N 2.313 123.487 121.223 -0.082 0.000 2.325 294 L HA 0.446 4.786 4.340 0.000 0.000 0.281 294 L C 0.443 177.305 176.870 -0.013 0.000 1.004 294 L CA -1.182 53.643 54.840 -0.025 0.000 0.823 294 L CB 1.421 43.485 42.059 0.008 0.000 1.236 294 L HN 0.837 nan 8.230 nan 0.000 0.415 295 E N 3.057 123.260 120.200 0.006 0.000 2.415 295 E HA 0.066 4.416 4.350 0.000 0.000 0.262 295 E C -2.068 174.559 176.600 0.045 0.000 1.038 295 E CA -1.382 55.029 56.400 0.019 0.000 0.921 295 E CB 0.313 30.027 29.700 0.024 0.000 0.950 295 E HN 0.308 nan 8.360 nan 0.000 0.438 296 P HA -0.284 nan 4.420 nan 0.000 0.216 296 P C 1.045 178.386 177.300 0.067 0.000 1.154 296 P CA 1.539 64.660 63.100 0.035 0.000 0.865 296 P CB -0.077 31.637 31.700 0.023 0.000 0.789 297 H N -0.277 118.792 119.070 -0.001 0.000 2.352 297 H HA -0.143 4.413 4.556 0.000 0.000 0.299 297 H C 1.802 177.137 175.328 0.011 0.000 1.097 297 H CA 1.493 57.544 56.048 0.005 0.000 1.311 297 H CB -0.778 28.987 29.762 0.005 0.000 1.377 297 H HN -0.025 nan 8.280 nan 0.000 0.504 298 L N 0.973 122.358 121.223 0.269 0.000 2.072 298 L HA 0.025 4.365 4.340 0.000 0.000 0.205 298 L C 2.745 179.681 176.870 0.110 0.000 1.079 298 L CA 1.944 56.906 54.840 0.203 0.000 0.752 298 L CB -1.224 40.926 42.059 0.151 0.000 0.906 298 L HN 0.290 nan 8.230 nan 0.000 0.436 299 A N -0.501 122.363 122.820 0.073 0.000 1.917 299 A HA -0.243 4.077 4.320 0.000 0.000 0.219 299 A C 2.251 179.844 177.584 0.015 0.000 1.182 299 A CA 2.150 54.208 52.037 0.035 0.000 0.633 299 A CB -1.046 17.959 19.000 0.008 0.000 0.819 299 A HN 0.479 nan 8.150 nan 0.000 0.448 300 L N -0.442 120.777 121.223 -0.007 0.000 2.156 300 L HA -0.027 4.313 4.340 0.000 0.000 0.208 300 L C 2.399 179.251 176.870 -0.029 0.000 1.095 300 L CA 2.124 56.944 54.840 -0.034 0.000 0.770 300 L CB -0.555 41.451 42.059 -0.088 0.000 0.914 300 L HN 0.477 nan 8.230 nan 0.000 0.439 301 R N -0.752 119.733 120.500 -0.024 0.000 2.066 301 R HA -0.120 4.220 4.340 0.000 0.000 0.232 301 R C 2.217 178.527 176.300 0.017 0.000 1.131 301 R CA 1.704 57.804 56.100 -0.001 0.000 0.955 301 R CB -0.299 30.038 30.300 0.062 0.000 0.851 301 R HN 0.422 nan 8.270 nan 0.000 0.432 302 L N 0.173 121.408 121.223 0.020 0.000 2.056 302 L HA -0.096 4.244 4.340 0.000 0.000 0.207 302 L C 2.741 179.636 176.870 0.041 0.000 1.078 302 L CA 1.275 56.122 54.840 0.011 0.000 0.749 302 L CB -0.582 41.482 42.059 0.007 0.000 0.901 302 L HN 0.319 nan 8.230 nan 0.000 0.433 303 A N -0.534 122.311 122.820 0.043 0.000 1.898 303 A HA -0.174 4.146 4.320 0.000 0.000 0.216 303 A C 2.407 180.081 177.584 0.151 0.000 1.181 303 A CA 1.829 53.915 52.037 0.081 0.000 0.620 303 A CB -0.887 18.144 19.000 0.053 0.000 0.819 303 A HN 0.199 nan 8.150 nan 0.000 0.442 304 V N 0.830 120.796 119.914 0.087 0.000 2.358 304 V HA -0.198 3.922 4.120 0.000 0.000 0.246 304 V C 2.861 179.011 176.094 0.094 0.000 1.047 304 V CA 2.914 65.261 62.300 0.079 0.000 1.035 304 V CB -0.476 31.364 31.823 0.029 0.000 0.658 304 V HN 0.792 nan 8.190 nan 0.000 0.452 305 S N 0.666 116.417 115.700 0.084 0.000 2.368 305 S HA -0.059 4.411 4.470 0.000 0.000 0.224 305 S C 2.164 176.843 174.600 0.132 0.000 1.029 305 S CA 1.258 59.511 58.200 0.089 0.000 0.988 305 S CB -0.735 62.496 63.200 0.052 0.000 0.838 305 S HN 0.788 nan 8.310 nan 0.000 0.462 306 A N 2.450 125.375 122.820 0.174 0.000 1.883 306 A HA 0.198 4.518 4.320 0.000 0.000 0.217 306 A C 2.562 180.345 177.584 0.331 0.000 1.186 306 A CA 1.966 54.176 52.037 0.289 0.000 0.624 306 A CB -1.561 17.643 19.000 0.340 0.000 0.822 306 A HN 0.880 nan 8.150 nan 0.000 0.444 307 A N -0.963 122.037 122.820 0.301 0.000 1.940 307 A HA -0.182 4.138 4.320 0.000 0.000 0.219 307 A C 2.303 179.859 177.584 -0.047 0.000 1.176 307 A CA 1.746 53.789 52.037 0.010 0.000 0.631 307 A CB -1.292 17.699 19.000 -0.014 0.000 0.814 307 A HN 0.635 nan 8.150 nan 0.000 0.446 308 C N -1.066 118.259 119.300 0.042 0.000 2.432 308 C HA 0.021 4.481 4.460 0.000 0.000 0.277 308 C C 3.011 177.996 174.990 -0.008 0.000 1.249 308 C CA 0.454 59.502 59.018 0.050 0.000 1.725 308 C CB -1.685 26.138 27.740 0.139 0.000 2.028 308 C HN 0.698 nan 8.230 nan 0.000 0.477 309 G N 0.425 109.244 108.800 0.032 0.000 2.491 309 G HA2 -0.245 3.715 3.960 0.000 0.000 0.218 309 G HA3 -0.245 3.715 3.960 0.000 0.000 0.218 309 G C 1.505 176.390 174.900 -0.026 0.000 1.180 309 G CA 1.119 46.220 45.100 0.000 0.000 0.774 309 G HN 0.433 nan 8.290 nan 0.000 0.562 310 L N 1.304 122.487 121.223 -0.068 0.000 2.093 310 L HA 0.177 4.517 4.340 0.000 0.000 0.208 310 L C 3.141 179.794 176.870 -0.361 0.000 1.085 310 L CA 1.960 56.642 54.840 -0.264 0.000 0.755 310 L CB -0.699 41.054 42.059 -0.510 0.000 0.904 310 L HN 0.266 nan 8.230 nan 0.000 0.435 311 A N -1.583 121.081 122.820 -0.259 0.000 1.902 311 A HA -0.298 4.022 4.320 0.000 0.000 0.217 311 A C 2.405 179.950 177.584 -0.065 0.000 1.181 311 A CA 1.818 53.757 52.037 -0.164 0.000 0.623 311 A CB -1.070 17.871 19.000 -0.100 0.000 0.818 311 A HN 0.695 nan 8.150 nan 0.000 0.443 312 H N -0.181 118.783 119.070 -0.176 0.000 2.353 312 H HA -0.053 4.503 4.556 0.000 0.000 0.300 312 H C 1.959 177.227 175.328 -0.100 0.000 1.090 312 H CA 1.727 57.661 56.048 -0.189 0.000 1.327 312 H CB -0.120 29.340 29.762 -0.504 0.000 1.383 312 H HN 0.423 nan 8.280 nan 0.000 0.508 313 L N -0.220 120.940 121.223 -0.106 0.000 2.017 313 L HA -0.219 4.121 4.340 0.000 0.000 0.208 313 L C 2.690 179.606 176.870 0.075 0.000 1.073 313 L CA 1.464 56.285 54.840 -0.032 0.000 0.745 313 L CB -0.645 41.480 42.059 0.111 0.000 0.894 313 L HN 0.454 nan 8.230 nan 0.000 0.432 314 H N -1.714 117.317 119.070 -0.065 0.000 2.389 314 H HA -0.029 4.527 4.556 0.000 0.000 0.299 314 H C 0.764 176.081 175.328 -0.019 0.000 1.081 314 H CA 0.232 56.273 56.048 -0.013 0.000 1.345 314 H CB 0.334 30.064 29.762 -0.052 0.000 1.393 314 H HN 0.039 nan 8.280 nan 0.000 0.520 315 V N 2.355 122.293 119.914 0.039 0.000 2.488 315 V HA 0.001 4.121 4.120 0.000 0.000 0.277 315 V C 0.036 176.043 176.094 -0.145 0.000 1.046 315 V CA -0.199 62.084 62.300 -0.029 0.000 0.986 315 V CB 1.176 32.986 31.823 -0.021 0.000 0.989 315 V HN 0.287 nan 8.190 nan 0.000 0.475 316 E N 4.982 125.056 120.200 -0.210 0.000 2.344 316 E HA 0.265 4.615 4.350 0.000 0.000 0.270 316 E C -0.801 175.488 176.600 -0.518 0.000 1.021 316 E CA -0.524 55.621 56.400 -0.424 0.000 0.887 316 E CB 0.834 30.179 29.700 -0.591 0.000 0.997 316 E HN 0.600 nan 8.360 nan 0.000 0.429 317 I N 4.014 124.308 120.570 -0.460 0.000 2.664 317 I HA 0.301 4.471 4.170 0.000 0.000 0.308 317 I C -0.377 175.411 176.117 -0.548 0.000 0.984 317 I CA -0.103 60.992 61.300 -0.341 0.000 1.213 317 I CB 0.751 38.681 38.000 -0.117 0.000 1.379 317 I HN 0.388 nan 8.210 nan 0.000 0.501 318 F N 1.530 121.461 119.950 -0.032 0.000 2.556 318 F HA 0.839 5.366 4.527 0.000 0.000 0.327 318 F C 0.742 176.527 175.800 -0.025 0.000 1.059 318 F CA -0.590 57.387 58.000 -0.038 0.000 0.953 318 F CB 1.681 40.660 39.000 -0.036 0.000 1.227 318 F HN 0.696 nan 8.300 nan 0.000 0.478 319 G N 0.249 109.152 108.800 0.171 0.000 2.619 319 G HA2 -0.117 3.843 3.960 0.000 0.000 0.686 319 G HA3 -0.117 3.843 3.960 0.000 0.000 0.686 319 G C 0.250 175.177 174.900 0.044 0.000 1.256 319 G CA -0.491 44.665 45.100 0.093 0.000 0.826 319 G HN 0.749 nan 8.290 nan 0.000 0.619 320 T N -0.180 114.393 114.554 0.030 0.000 2.869 320 T HA -0.138 4.212 4.350 0.000 0.000 0.270 320 T C 1.839 176.548 174.700 0.015 0.000 1.082 320 T CA 2.234 64.344 62.100 0.016 0.000 1.123 320 T CB -0.047 68.829 68.868 0.014 0.000 0.856 320 T HN 0.499 nan 8.240 nan 0.000 0.499 321 Q N 0.348 120.163 119.800 0.025 0.000 2.188 321 Q HA 0.399 4.739 4.340 0.000 0.000 0.212 321 Q C 0.753 176.768 176.000 0.024 0.000 0.846 321 Q CA -0.300 55.520 55.803 0.028 0.000 0.989 321 Q CB 0.188 28.948 28.738 0.037 0.000 1.114 321 Q HN 0.555 nan 8.270 nan 0.000 0.488 322 G N -1.198 107.603 108.800 0.002 0.000 2.857 322 G HA2 0.790 4.750 3.960 0.000 0.000 0.217 322 G HA3 0.790 4.750 3.960 0.000 0.000 0.217 322 G C -1.162 173.691 174.900 -0.079 0.000 1.357 322 G CA 0.100 45.177 45.100 -0.038 0.000 1.033 322 G HN 0.189 nan 8.290 nan 0.000 0.571 323 K N 0.069 120.376 120.400 -0.156 0.000 2.589 323 K HA 0.682 5.002 4.320 0.000 0.000 0.265 323 K C -3.207 173.236 176.600 -0.261 0.000 0.935 323 K CA -1.095 55.083 56.287 -0.180 0.000 0.850 323 K CB 1.211 33.612 32.500 -0.166 0.000 1.372 323 K HN 0.585 nan 8.250 nan 0.000 0.420 324 P HA 0.475 nan 4.420 nan 0.000 0.274 324 P C -0.062 177.064 177.300 -0.290 0.000 1.256 324 P CA -0.085 62.831 63.100 -0.307 0.000 0.795 324 P CB 0.908 32.438 31.700 -0.282 0.000 1.038 325 A N 1.410 124.031 122.820 -0.331 0.000 2.450 325 A HA 0.434 4.754 4.320 0.000 0.000 0.255 325 A C 0.202 177.740 177.584 -0.077 0.000 1.096 325 A CA -0.110 51.810 52.037 -0.194 0.000 0.778 325 A CB -0.841 18.041 19.000 -0.197 0.000 1.031 325 A HN 0.428 nan 8.150 nan 0.000 0.494 326 I N 1.623 122.268 120.570 0.125 0.000 2.466 326 I HA 0.543 4.713 4.170 0.000 0.000 0.289 326 I C 0.334 176.593 176.117 0.236 0.000 1.026 326 I CA -0.312 61.084 61.300 0.160 0.000 1.078 326 I CB 2.141 40.145 38.000 0.006 0.000 1.249 326 I HN 0.678 nan 8.210 nan 0.000 0.429 327 A N 4.229 127.157 122.820 0.181 0.000 2.317 327 A HA 0.400 4.720 4.320 0.000 0.000 0.327 327 A C 0.484 178.138 177.584 0.116 0.000 1.178 327 A CA -0.413 51.644 52.037 0.034 0.000 0.817 327 A CB 0.632 19.488 19.000 -0.242 0.000 1.189 327 A HN 0.897 nan 8.150 nan 0.000 0.489 328 H N 2.214 121.367 119.070 0.138 0.000 2.307 328 H HA -0.038 4.519 4.556 0.000 0.000 0.303 328 H C 1.922 177.318 175.328 0.112 0.000 1.073 328 H CA 2.963 59.097 56.048 0.144 0.000 1.338 328 H CB 0.293 30.208 29.762 0.255 0.000 1.389 328 H HN 1.285 nan 8.280 nan 0.000 0.503 329 R N 0.270 120.982 120.500 0.354 0.000 3.840 329 R HA -0.184 4.156 4.340 0.000 0.000 0.464 329 R C 0.493 176.986 176.300 0.322 0.000 0.986 329 R CA 1.779 58.039 56.100 0.267 0.000 1.305 329 R CB -2.990 27.371 30.300 0.101 0.000 1.950 329 R HN 0.529 nan 8.270 nan 0.000 0.526 330 D N -1.856 118.856 120.400 0.521 0.000 3.078 330 D HA 0.339 4.979 4.640 0.000 0.000 0.363 330 D C -0.774 175.629 176.300 0.172 0.000 1.391 330 D CA -0.497 53.715 54.000 0.353 0.000 0.754 330 D CB -0.372 40.591 40.800 0.271 0.000 1.238 330 D HN 0.449 nan 8.370 nan 0.000 0.500 331 F N 2.666 122.591 119.950 -0.042 0.000 2.472 331 F HA 0.323 4.850 4.527 0.000 0.000 0.364 331 F C 0.367 176.016 175.800 -0.252 0.000 1.090 331 F CA 0.279 58.105 58.000 -0.290 0.000 1.188 331 F CB 0.187 39.123 39.000 -0.107 0.000 1.105 331 F HN -0.014 nan 8.300 nan 0.000 0.536 332 K N 1.783 121.689 120.400 -0.824 0.000 2.607 332 K HA 0.316 4.636 4.320 0.000 0.000 0.287 332 K C 0.022 176.272 176.600 -0.584 0.000 0.996 332 K CA -0.260 55.514 56.287 -0.855 0.000 0.876 332 K CB 1.116 32.891 32.500 -1.209 0.000 1.496 332 K HN 0.364 nan 8.250 nan 0.000 0.415 333 S N 0.190 115.761 115.700 -0.214 0.000 2.442 333 S HA -0.112 4.359 4.470 0.000 0.000 0.236 333 S C 1.534 176.101 174.600 -0.054 0.000 1.007 333 S CA 0.583 58.754 58.200 -0.049 0.000 0.965 333 S CB -0.409 62.927 63.200 0.226 0.000 0.773 333 S HN 0.607 nan 8.310 nan 0.000 0.504 334 R N 1.236 121.674 120.500 -0.103 0.000 2.235 334 R HA 0.186 4.526 4.340 0.000 0.000 0.213 334 R C 0.552 176.760 176.300 -0.153 0.000 1.059 334 R CA 0.681 56.709 56.100 -0.119 0.000 0.997 334 R CB -0.171 30.015 30.300 -0.190 0.000 0.884 334 R HN 0.370 nan 8.270 nan 0.000 0.462 335 N N 0.002 118.566 118.700 -0.226 0.000 2.251 335 N HA 0.086 4.826 4.740 0.000 0.000 0.217 335 N C -1.051 174.339 175.510 -0.199 0.000 1.124 335 N CA 0.196 53.134 53.050 -0.188 0.000 0.843 335 N CB 1.295 39.675 38.487 -0.177 0.000 1.024 335 N HN -0.129 nan 8.380 nan 0.000 0.501 336 V N 1.581 121.376 119.914 -0.199 0.000 2.531 336 V HA 0.429 4.549 4.120 0.000 0.000 0.301 336 V C 0.009 176.058 176.094 -0.075 0.000 1.034 336 V CA -0.761 61.455 62.300 -0.140 0.000 0.865 336 V CB 2.260 33.970 31.823 -0.189 0.000 0.995 336 V HN -0.022 nan 8.190 nan 0.000 0.424 337 L N 4.439 125.630 121.223 -0.054 0.000 2.360 337 L HA 0.642 4.982 4.340 0.000 0.000 0.271 337 L C -0.392 176.383 176.870 -0.158 0.000 1.057 337 L CA -0.717 54.080 54.840 -0.071 0.000 0.803 337 L CB 1.928 43.977 42.059 -0.018 0.000 1.207 337 L HN 0.359 nan 8.230 nan 0.000 0.445 338 V N 2.154 121.960 119.914 -0.180 0.000 2.347 338 V HA 0.318 4.438 4.120 0.000 0.000 0.280 338 V C 0.101 176.057 176.094 -0.230 0.000 1.021 338 V CA -0.898 61.239 62.300 -0.271 0.000 0.847 338 V CB 1.235 32.761 31.823 -0.494 0.000 0.990 338 V HN 0.647 nan 8.190 nan 0.000 0.444 339 K N 2.276 122.505 120.400 -0.285 0.000 2.117 339 K HA 0.345 4.665 4.320 0.000 0.000 0.240 339 K C 1.345 177.893 176.600 -0.087 0.000 1.031 339 K CA -0.321 55.815 56.287 -0.251 0.000 0.909 339 K CB 0.509 32.851 32.500 -0.264 0.000 1.097 339 K HN 0.565 nan 8.250 nan 0.000 0.492 340 S N 1.220 116.879 115.700 -0.068 0.000 2.374 340 S HA -0.171 4.300 4.470 0.000 0.000 0.227 340 S C 1.161 175.763 174.600 0.004 0.000 1.037 340 S CA 1.927 60.090 58.200 -0.062 0.000 1.024 340 S CB -0.466 62.707 63.200 -0.045 0.000 0.861 340 S HN 0.683 nan 8.310 nan 0.000 0.456 341 N N 1.946 120.640 118.700 -0.011 0.000 2.421 341 N HA 0.104 4.844 4.740 0.000 0.000 0.201 341 N C 0.154 175.659 175.510 -0.009 0.000 1.198 341 N CA 0.029 53.079 53.050 0.000 0.000 0.838 341 N CB -0.983 37.502 38.487 -0.003 0.000 1.011 341 N HN 0.374 nan 8.380 nan 0.000 0.463 342 L N -2.065 119.139 121.223 -0.032 0.000 3.737 342 L HA -0.303 4.037 4.340 0.000 0.000 0.418 342 L C -0.392 176.420 176.870 -0.097 0.000 1.216 342 L CA 0.594 55.371 54.840 -0.104 0.000 0.915 342 L CB -2.174 39.858 42.059 -0.045 0.000 1.834 342 L HN 0.466 nan 8.230 nan 0.000 0.943 343 Q N -0.833 118.913 119.800 -0.090 0.000 2.257 343 Q HA 0.556 4.896 4.340 0.000 0.000 0.262 343 Q C -0.143 175.791 176.000 -0.110 0.000 0.997 343 Q CA -0.533 55.228 55.803 -0.069 0.000 0.873 343 Q CB 2.426 31.144 28.738 -0.033 0.000 1.312 343 Q HN 0.366 nan 8.270 nan 0.000 0.450 344 C N 0.992 120.252 119.300 -0.067 0.000 2.443 344 C HA 0.720 5.180 4.460 0.000 0.000 0.369 344 C C 0.050 175.021 174.990 -0.031 0.000 1.241 344 C CA -0.887 58.091 59.018 -0.067 0.000 2.413 344 C CB -0.330 27.407 27.740 -0.004 0.000 2.451 344 C HN 0.911 nan 8.230 nan 0.000 0.595 345 C N 1.127 120.403 119.300 -0.040 0.000 2.783 345 C HA 0.719 5.179 4.460 0.000 0.000 0.312 345 C C -0.692 174.344 174.990 0.078 0.000 1.182 345 C CA -0.924 58.120 59.018 0.044 0.000 1.432 345 C CB -0.680 27.085 27.740 0.042 0.000 1.933 345 C HN 0.820 nan 8.230 nan 0.000 0.473 346 I N 3.044 123.701 120.570 0.146 0.000 2.474 346 I HA 0.561 4.731 4.170 0.000 0.000 0.287 346 I C 0.853 177.091 176.117 0.201 0.000 1.048 346 I CA 0.376 61.778 61.300 0.169 0.000 1.383 346 I CB 1.069 39.227 38.000 0.264 0.000 1.412 346 I HN 1.037 nan 8.210 nan 0.000 0.531 347 A N 3.932 126.865 122.820 0.188 0.000 2.389 347 A HA 0.618 4.938 4.320 0.000 0.000 0.293 347 A C -0.520 177.227 177.584 0.271 0.000 1.186 347 A CA -0.400 51.767 52.037 0.217 0.000 0.828 347 A CB 1.160 20.248 19.000 0.146 0.000 1.369 347 A HN 0.772 nan 8.150 nan 0.000 0.446 348 D N -1.642 118.872 120.400 0.190 0.000 3.830 348 D HA -0.104 4.536 4.640 0.000 0.000 0.247 348 D C -0.682 175.572 176.300 -0.078 0.000 1.073 348 D CA 0.346 54.416 54.000 0.117 0.000 1.116 348 D CB -1.033 39.834 40.800 0.112 0.000 0.909 348 D HN 0.304 nan 8.370 nan 0.000 0.418 349 L N 2.073 123.220 121.223 -0.127 0.000 2.685 349 L HA 0.374 4.714 4.340 0.000 0.000 0.233 349 L C 2.482 179.223 176.870 -0.214 0.000 1.173 349 L CA 0.868 55.523 54.840 -0.309 0.000 0.961 349 L CB 0.219 42.043 42.059 -0.392 0.000 1.217 349 L HN 0.502 nan 8.230 nan 0.000 0.478 350 G N -0.711 108.043 108.800 -0.077 0.000 2.470 350 G HA2 -0.165 3.795 3.960 0.000 0.000 0.220 350 G HA3 -0.165 3.795 3.960 0.000 0.000 0.220 350 G C 1.320 176.207 174.900 -0.022 0.000 1.121 350 G CA 0.418 45.523 45.100 0.007 0.000 0.766 350 G HN 0.378 nan 8.290 nan 0.000 0.553 351 L N 0.419 121.602 121.223 -0.066 0.000 2.808 351 L HA 0.416 4.756 4.340 0.000 0.000 0.246 351 L C 1.459 178.262 176.870 -0.111 0.000 1.153 351 L CA -0.548 54.261 54.840 -0.052 0.000 0.956 351 L CB 0.278 42.339 42.059 0.005 0.000 1.270 351 L HN 0.209 nan 8.230 nan 0.000 0.528 352 A N 0.873 123.596 122.820 -0.162 0.000 2.466 352 A HA 0.390 4.710 4.320 0.000 0.000 0.238 352 A C -0.053 177.449 177.584 -0.138 0.000 1.074 352 A CA -0.016 51.925 52.037 -0.160 0.000 0.774 352 A CB 0.382 19.266 19.000 -0.194 0.000 1.015 352 A HN 0.106 nan 8.150 nan 0.000 0.498 353 V N 0.228 120.078 119.914 -0.107 0.000 2.769 353 V HA 0.835 4.955 4.120 0.000 0.000 0.312 353 V C -0.356 175.781 176.094 0.072 0.000 1.061 353 V CA -0.960 61.291 62.300 -0.081 0.000 0.931 353 V CB 1.609 33.284 31.823 -0.247 0.000 1.010 353 V HN 0.858 nan 8.190 nan 0.000 0.433 354 M N 4.174 123.766 119.600 -0.013 0.000 2.530 354 M HA 0.620 5.100 4.480 0.000 0.000 0.307 354 M C -0.990 175.164 176.300 -0.244 0.000 1.161 354 M CA -0.417 54.804 55.300 -0.132 0.000 0.903 354 M CB 2.281 34.789 32.600 -0.153 0.000 1.711 354 M HN 1.037 nan 8.290 nan 0.000 0.451 355 H N 0.372 119.034 119.070 -0.680 0.000 2.974 355 H HA 0.537 5.093 4.556 0.000 0.000 0.366 355 H C -1.824 173.198 175.328 -0.509 0.000 1.155 355 H CA -0.380 55.268 56.048 -0.667 0.000 1.186 355 H CB 2.109 31.201 29.762 -1.117 0.000 1.799 355 H HN 0.711 nan 8.280 nan 0.000 0.541 356 S N 2.860 118.034 115.700 -0.877 0.000 2.482 356 S HA 0.097 4.567 4.470 0.000 0.000 0.303 356 S C -0.444 173.663 174.600 -0.822 0.000 1.091 356 S CA -0.681 57.117 58.200 -0.671 0.000 1.057 356 S CB 2.001 64.982 63.200 -0.365 0.000 1.031 356 S HN 0.639 nan 8.310 nan 0.000 0.485 357 Q N 1.296 120.829 119.800 -0.444 0.000 2.247 357 Q HA 0.407 4.747 4.340 0.000 0.000 0.288 357 Q C 0.808 176.744 176.000 -0.106 0.000 1.079 357 Q CA 1.215 56.916 55.803 -0.171 0.000 0.932 357 Q CB -0.145 28.665 28.738 0.121 0.000 1.133 357 Q HN 0.961 nan 8.270 nan 0.000 0.377 358 G N 1.580 110.335 108.800 -0.074 0.000 1.876 358 G HA2 0.347 4.307 3.960 0.000 0.000 0.059 358 G HA3 0.347 4.307 3.960 0.000 0.000 0.059 358 G C -0.625 174.276 174.900 0.002 0.000 0.755 358 G CA -0.003 45.072 45.100 -0.042 0.000 1.092 358 G HN 1.084 nan 8.290 nan 0.000 0.322 359 S N -1.241 114.462 115.700 0.004 0.000 2.615 359 S HA 0.724 5.194 4.470 0.000 0.000 0.268 359 S C -0.437 174.210 174.600 0.077 0.000 1.146 359 S CA 1.131 59.371 58.200 0.067 0.000 0.818 359 S CB -0.052 63.169 63.200 0.036 0.000 1.111 359 S HN 2.039 nan 8.310 nan 0.000 0.465 360 D N -0.314 120.138 120.400 0.087 0.000 2.488 360 D HA 0.540 5.180 4.640 0.000 0.000 0.238 360 D C 0.600 176.920 176.300 0.033 0.000 1.138 360 D CA 0.721 54.761 54.000 0.065 0.000 0.873 360 D CB -0.654 40.172 40.800 0.042 0.000 1.183 360 D HN 1.816 nan 8.370 nan 0.000 0.458 361 Y N -1.550 118.764 120.300 0.023 0.000 2.550 361 Y HA 0.473 5.023 4.550 0.000 0.000 0.343 361 Y C 1.025 176.960 175.900 0.057 0.000 1.245 361 Y CA -0.365 57.752 58.100 0.028 0.000 1.462 361 Y CB -0.048 38.417 38.460 0.009 0.000 1.340 361 Y HN 1.522 nan 8.280 nan 0.000 0.604 362 L N 3.080 124.335 121.223 0.054 0.000 2.277 362 L HA 0.512 4.852 4.340 0.000 0.000 0.284 362 L C 0.020 176.905 176.870 0.024 0.000 1.028 362 L CA -0.847 54.030 54.840 0.062 0.000 0.835 362 L CB 0.786 42.882 42.059 0.061 0.000 1.215 362 L HN 0.935 nan 8.230 nan 0.000 0.425 363 D N 3.041 123.435 120.400 -0.010 0.000 2.357 363 D HA 0.359 5.000 4.640 0.000 0.000 0.265 363 D C 0.803 177.078 176.300 -0.042 0.000 1.334 363 D CA 0.980 54.959 54.000 -0.035 0.000 0.984 363 D CB 1.208 41.967 40.800 -0.068 0.000 1.077 363 D HN 0.670 nan 8.370 nan 0.000 0.514 364 I N 1.614 122.164 120.570 -0.033 0.000 3.939 364 I HA 0.425 4.595 4.170 0.000 0.000 0.313 364 I C 1.400 177.484 176.117 -0.055 0.000 1.274 364 I CA 0.840 62.102 61.300 -0.062 0.000 1.301 364 I CB -0.772 37.209 38.000 -0.031 0.000 1.105 364 I HN 0.703 nan 8.210 nan 0.000 0.427 365 G N -0.230 108.557 108.800 -0.022 0.000 2.660 365 G HA2 0.342 4.302 3.960 0.000 0.000 0.215 365 G HA3 0.342 4.302 3.960 0.000 0.000 0.215 365 G C -0.084 174.829 174.900 0.022 0.000 1.345 365 G CA 0.337 45.439 45.100 0.005 0.000 0.877 365 G HN 2.087 nan 8.290 nan 0.000 0.549 366 N N -0.313 118.413 118.700 0.043 0.000 2.622 366 N HA 0.501 5.242 4.740 0.000 0.000 0.293 366 N C -0.359 175.175 175.510 0.040 0.000 1.788 366 N CA 0.550 53.621 53.050 0.036 0.000 0.860 366 N CB 0.829 39.335 38.487 0.031 0.000 1.388 366 N HN 0.834 nan 8.380 nan 0.000 0.496 367 N N 1.754 120.478 118.700 0.041 0.000 2.437 367 N HA 0.357 5.097 4.740 0.000 0.000 0.259 367 N C -1.408 174.128 175.510 0.043 0.000 0.983 367 N CA -1.911 51.171 53.050 0.052 0.000 0.937 367 N CB 2.121 40.644 38.487 0.060 0.000 1.122 367 N HN 0.207 nan 8.380 nan 0.000 0.499 368 P HA -0.121 nan 4.420 nan 0.000 0.220 368 P C 0.428 177.752 177.300 0.040 0.000 1.148 368 P CA 0.513 63.633 63.100 0.033 0.000 0.803 368 P CB 0.549 32.267 31.700 0.031 0.000 0.782 369 R N 1.105 121.642 120.500 0.062 0.000 2.758 369 R HA 0.178 4.518 4.340 0.000 0.000 0.263 369 R C 0.042 176.382 176.300 0.068 0.000 1.010 369 R CA 0.181 56.326 56.100 0.075 0.000 1.114 369 R CB 0.371 30.733 30.300 0.104 0.000 0.985 369 R HN -0.000 nan 8.270 nan 0.000 0.439 370 V N 0.505 120.465 119.914 0.076 0.000 3.164 370 V HA 0.726 4.846 4.120 0.000 0.000 0.313 370 V C 0.445 176.613 176.094 0.124 0.000 1.188 370 V CA -0.573 61.781 62.300 0.089 0.000 1.058 370 V CB 1.156 33.020 31.823 0.068 0.000 1.110 370 V HN 0.892 nan 8.190 nan 0.000 0.453 371 G N 0.208 109.100 108.800 0.154 0.000 2.630 371 G HA2 0.383 4.343 3.960 0.000 0.000 0.236 371 G HA3 0.383 4.343 3.960 0.000 0.000 0.236 371 G C 0.142 175.160 174.900 0.197 0.000 1.248 371 G CA 0.128 45.340 45.100 0.188 0.000 0.844 371 G HN 1.026 nan 8.290 nan 0.000 0.588 372 T N 1.689 116.366 114.554 0.205 0.000 2.793 372 T HA 0.044 4.394 4.350 0.000 0.000 0.289 372 T C 1.675 176.562 174.700 0.311 0.000 0.956 372 T CA 0.139 62.382 62.100 0.238 0.000 1.177 372 T CB 0.858 69.856 68.868 0.216 0.000 0.897 372 T HN 0.565 nan 8.240 nan 0.000 0.533 373 K N 2.938 123.490 120.400 0.253 0.000 2.074 373 K HA -0.186 4.134 4.320 0.000 0.000 0.209 373 K C 2.393 179.107 176.600 0.190 0.000 1.048 373 K CA 1.187 57.606 56.287 0.219 0.000 0.926 373 K CB -0.056 32.554 32.500 0.184 0.000 0.713 373 K HN 0.419 nan 8.250 nan 0.000 0.444 374 R N 0.168 120.804 120.500 0.226 0.000 2.170 374 R HA -0.177 4.163 4.340 0.000 0.000 0.242 374 R C 1.035 177.405 176.300 0.117 0.000 1.145 374 R CA 1.555 57.732 56.100 0.129 0.000 0.984 374 R CB -0.011 30.371 30.300 0.137 0.000 0.869 374 R HN 0.325 nan 8.270 nan 0.000 0.455 375 Y N -0.869 119.594 120.300 0.272 0.000 2.467 375 Y HA 0.244 4.794 4.550 0.000 0.000 0.250 375 Y C 0.328 176.475 175.900 0.413 0.000 1.155 375 Y CA -0.578 57.760 58.100 0.396 0.000 1.249 375 Y CB 0.438 39.109 38.460 0.352 0.000 1.146 375 Y HN -0.085 nan 8.280 nan 0.000 0.524 376 M N 1.012 120.816 119.600 0.341 0.000 2.239 376 M HA 0.239 4.719 4.480 0.000 0.000 0.348 376 M C 0.649 176.866 176.300 -0.139 0.000 1.239 376 M CA -0.161 55.231 55.300 0.154 0.000 1.114 376 M CB 0.540 33.202 32.600 0.102 0.000 1.641 376 M HN 0.207 nan 8.290 nan 0.000 0.453 377 A N 5.236 127.833 122.820 -0.371 0.000 2.346 377 A HA 0.319 4.639 4.320 0.000 0.000 0.252 377 A C -1.718 175.427 177.584 -0.730 0.000 1.089 377 A CA -1.269 50.127 52.037 -1.070 0.000 0.797 377 A CB -0.411 18.228 19.000 -0.602 0.000 1.047 377 A HN 0.619 nan 8.150 nan 0.000 0.494 378 P HA -0.201 nan 4.420 nan 0.000 0.215 378 P C 1.272 178.402 177.300 -0.282 0.000 1.157 378 P CA 1.711 64.528 63.100 -0.472 0.000 0.868 378 P CB -0.003 31.459 31.700 -0.397 0.000 0.788 379 E N -0.144 119.914 120.200 -0.235 0.000 2.265 379 E HA -0.094 4.256 4.350 0.000 0.000 0.196 379 E C 1.730 178.283 176.600 -0.079 0.000 0.996 379 E CA 1.172 57.497 56.400 -0.125 0.000 0.832 379 E CB -1.263 28.386 29.700 -0.086 0.000 0.756 379 E HN 0.124 nan 8.360 nan 0.000 0.491 380 V N 1.236 121.099 119.914 -0.085 0.000 2.535 380 V HA -0.126 3.994 4.120 0.000 0.000 0.246 380 V C 2.504 178.635 176.094 0.061 0.000 1.045 380 V CA 0.992 63.301 62.300 0.015 0.000 1.058 380 V CB -0.388 31.466 31.823 0.053 0.000 0.689 380 V HN 0.144 nan 8.190 nan 0.000 0.461 381 L N -0.444 120.734 121.223 -0.076 0.000 2.156 381 L HA -0.067 4.273 4.340 0.000 0.000 0.208 381 L C 2.129 178.902 176.870 -0.162 0.000 1.095 381 L CA 1.133 55.840 54.840 -0.221 0.000 0.770 381 L CB -0.515 41.312 42.059 -0.386 0.000 0.914 381 L HN 0.262 nan 8.230 nan 0.000 0.439 382 D N 0.353 120.688 120.400 -0.108 0.000 2.269 382 D HA -0.130 4.510 4.640 0.000 0.000 0.208 382 D C 0.703 177.007 176.300 0.006 0.000 0.963 382 D CA 0.496 54.458 54.000 -0.065 0.000 0.864 382 D CB 0.133 40.888 40.800 -0.075 0.000 0.936 382 D HN 0.266 nan 8.370 nan 0.000 0.505 383 E N -0.663 119.565 120.200 0.047 0.000 2.791 383 E HA -0.252 4.098 4.350 0.000 0.000 0.271 383 E C 0.566 177.179 176.600 0.021 0.000 1.044 383 E CA 0.201 56.639 56.400 0.064 0.000 0.814 383 E CB -1.018 28.737 29.700 0.093 0.000 1.400 383 E HN 0.380 nan 8.360 nan 0.000 0.423 384 Q N -0.151 119.646 119.800 -0.005 0.000 2.282 384 Q HA 0.241 4.582 4.340 0.000 0.000 0.206 384 Q C 0.854 176.840 176.000 -0.024 0.000 0.878 384 Q CA -0.168 55.624 55.803 -0.017 0.000 0.944 384 Q CB 0.494 29.215 28.738 -0.029 0.000 1.100 384 Q HN 0.466 nan 8.270 nan 0.000 0.509 385 I N 1.905 122.458 120.570 -0.029 0.000 2.634 385 I HA 0.015 4.185 4.170 0.000 0.000 0.284 385 I C -0.263 175.815 176.117 -0.065 0.000 1.124 385 I CA -0.223 61.043 61.300 -0.056 0.000 1.417 385 I CB 0.495 38.448 38.000 -0.079 0.000 1.396 385 I HN 0.041 nan 8.210 nan 0.000 0.571 386 R N 5.290 125.740 120.500 -0.084 0.000 2.248 386 R HA 0.142 4.482 4.340 0.000 0.000 0.337 386 R C 0.847 177.063 176.300 -0.141 0.000 1.106 386 R CA 0.033 56.087 56.100 -0.075 0.000 0.959 386 R CB -0.129 30.143 30.300 -0.046 0.000 1.075 386 R HN 0.728 nan 8.270 nan 0.000 0.480 387 T N -2.251 112.259 114.554 -0.073 0.000 3.163 387 T HA -0.085 4.265 4.350 0.000 0.000 0.260 387 T C 0.579 175.336 174.700 0.095 0.000 1.156 387 T CA 0.579 62.676 62.100 -0.005 0.000 1.072 387 T CB -0.216 68.718 68.868 0.110 0.000 0.937 387 T HN 0.560 nan 8.240 nan 0.000 0.528 388 D N -0.266 120.151 120.400 0.029 0.000 2.501 388 D HA 0.254 4.894 4.640 0.000 0.000 0.226 388 D C -0.220 176.087 176.300 0.012 0.000 1.198 388 D CA -0.800 53.230 54.000 0.050 0.000 0.830 388 D CB -0.743 40.075 40.800 0.031 0.000 1.014 388 D HN 0.367 nan 8.370 nan 0.000 0.496 389 C N 0.301 119.580 119.300 -0.035 0.000 2.364 389 C HA 0.491 4.951 4.460 0.000 0.000 0.324 389 C C 1.059 176.000 174.990 -0.082 0.000 1.234 389 C CA -0.992 57.980 59.018 -0.076 0.000 1.417 389 C CB -0.713 26.970 27.740 -0.095 0.000 2.101 389 C HN 0.367 nan 8.230 nan 0.000 0.466 390 F N 3.720 123.545 119.950 -0.208 0.000 2.146 390 F HA -0.006 4.521 4.527 0.000 0.000 0.298 390 F C 2.066 177.702 175.800 -0.273 0.000 1.096 390 F CA 1.842 59.756 58.000 -0.143 0.000 1.275 390 F CB 0.117 38.953 39.000 -0.274 0.000 1.008 390 F HN 0.705 nan 8.300 nan 0.000 0.480 391 E N 0.313 120.227 120.200 -0.477 0.000 2.097 391 E HA -0.209 4.141 4.350 0.000 0.000 0.196 391 E C 2.389 178.250 176.600 -1.233 0.000 1.000 391 E CA 1.490 57.299 56.400 -0.984 0.000 0.804 391 E CB -0.993 28.103 29.700 -1.007 0.000 0.740 391 E HN 0.380 nan 8.360 nan 0.000 0.454 392 S N 0.720 116.012 115.700 -0.681 0.000 2.372 392 S HA -0.202 4.268 4.470 0.000 0.000 0.227 392 S C 1.941 176.352 174.600 -0.315 0.000 1.044 392 S CA 1.561 59.590 58.200 -0.285 0.000 1.050 392 S CB -0.521 62.481 63.200 -0.331 0.000 0.901 392 S HN 0.307 nan 8.310 nan 0.000 0.447 393 Y N 1.601 121.705 120.300 -0.326 0.000 2.242 393 Y HA -0.010 4.540 4.550 0.000 0.000 0.291 393 Y C 2.333 178.032 175.900 -0.335 0.000 1.137 393 Y CA 0.619 58.553 58.100 -0.276 0.000 1.181 393 Y CB -0.362 37.909 38.460 -0.315 0.000 0.989 393 Y HN 0.162 nan 8.280 nan 0.000 0.527 394 K N -1.001 119.076 120.400 -0.539 0.000 2.057 394 K HA -0.205 4.115 4.320 0.000 0.000 0.207 394 K C 1.779 178.332 176.600 -0.078 0.000 1.049 394 K CA 1.414 57.354 56.287 -0.579 0.000 0.931 394 K CB -0.362 31.558 32.500 -0.968 0.000 0.714 394 K HN 0.350 nan 8.250 nan 0.000 0.440 395 W N 0.977 122.255 121.300 -0.037 0.000 2.465 395 W HA -0.087 4.573 4.660 0.000 0.000 0.268 395 W C 2.342 178.952 176.519 0.153 0.000 1.242 395 W CA 1.551 58.933 57.345 0.063 0.000 1.248 395 W CB -1.083 28.391 29.460 0.023 0.000 1.118 395 W HN 0.253 nan 8.180 nan 0.000 0.587 396 T N -2.887 111.860 114.554 0.322 0.000 2.942 396 T HA -0.113 4.237 4.350 0.000 0.000 0.265 396 T C 1.332 176.270 174.700 0.397 0.000 1.062 396 T CA 1.351 63.647 62.100 0.326 0.000 1.139 396 T CB -0.280 68.731 68.868 0.239 0.000 0.883 396 T HN -0.192 nan 8.240 nan 0.000 0.468 397 D N 1.526 122.122 120.400 0.327 0.000 2.123 397 D HA -0.040 4.601 4.640 0.000 0.000 0.196 397 D C 2.110 178.570 176.300 0.266 0.000 0.992 397 D CA 0.765 54.946 54.000 0.301 0.000 0.833 397 D CB -0.212 40.772 40.800 0.306 0.000 0.954 397 D HN 0.320 nan 8.370 nan 0.000 0.455 398 I N 0.412 121.161 120.570 0.298 0.000 2.142 398 I HA -0.234 3.936 4.170 0.000 0.000 0.240 398 I C 2.449 178.803 176.117 0.395 0.000 1.078 398 I CA 0.793 62.246 61.300 0.255 0.000 1.343 398 I CB -1.315 36.848 38.000 0.272 0.000 1.046 398 I HN 0.313 nan 8.210 nan 0.000 0.405 399 W N 2.584 124.074 121.300 0.317 0.000 2.290 399 W HA -0.363 4.297 4.660 0.000 0.000 0.328 399 W C 2.587 179.408 176.519 0.502 0.000 1.272 399 W CA 3.007 60.608 57.345 0.428 0.000 1.262 399 W CB -0.492 29.195 29.460 0.379 0.000 1.151 399 W HN 0.194 nan 8.180 nan 0.000 0.473 400 A N -0.026 123.237 122.820 0.738 0.000 1.940 400 A HA -0.255 4.065 4.320 0.000 0.000 0.219 400 A C 1.942 179.899 177.584 0.622 0.000 1.176 400 A CA 1.779 54.253 52.037 0.729 0.000 0.631 400 A CB -1.563 17.889 19.000 0.753 0.000 0.814 400 A HN 0.467 nan 8.150 nan 0.000 0.446 401 F N 0.966 121.076 119.950 0.267 0.000 2.102 401 F HA -0.024 4.503 4.527 -0.000 0.000 0.298 401 F C 2.372 178.250 175.800 0.130 0.000 1.105 401 F CA 1.603 59.668 58.000 0.109 0.000 1.239 401 F CB -0.680 38.177 39.000 -0.238 0.000 0.991 401 F HN 0.230 nan 8.300 nan 0.000 0.474 402 G N 0.862 109.769 108.800 0.179 0.000 2.469 402 G HA2 -0.274 3.686 3.960 0.000 0.000 0.219 402 G HA3 -0.274 3.686 3.960 0.000 0.000 0.219 402 G C 1.727 176.664 174.900 0.062 0.000 1.150 402 G CA 1.338 46.327 45.100 -0.185 0.000 0.763 402 G HN 0.445 nan 8.290 nan 0.000 0.561 403 L N 0.007 121.429 121.223 0.331 0.000 2.093 403 L HA -0.049 4.291 4.340 0.000 0.000 0.208 403 L C 2.931 180.006 176.870 0.342 0.000 1.085 403 L CA 0.302 55.345 54.840 0.338 0.000 0.755 403 L CB -0.473 41.689 42.059 0.172 0.000 0.904 403 L HN 0.098 nan 8.230 nan 0.000 0.435 404 V N 0.112 120.196 119.914 0.284 0.000 2.427 404 V HA -0.243 3.877 4.120 0.000 0.000 0.248 404 V C 2.423 178.541 176.094 0.041 0.000 1.051 404 V CA 1.331 63.745 62.300 0.189 0.000 1.048 404 V CB -0.166 31.731 31.823 0.123 0.000 0.666 404 V HN 0.328 nan 8.190 nan 0.000 0.456 405 L N -1.567 119.594 121.223 -0.103 0.000 2.012 405 L HA -0.248 4.092 4.340 0.000 0.000 0.210 405 L C 2.307 179.201 176.870 0.040 0.000 1.073 405 L CA 2.424 57.206 54.840 -0.098 0.000 0.748 405 L CB -0.608 41.369 42.059 -0.136 0.000 0.891 405 L HN 0.532 nan 8.230 nan 0.000 0.431 406 W N 1.517 122.793 121.300 -0.039 0.000 2.302 406 W HA -0.286 4.375 4.660 0.000 0.000 0.320 406 W C 2.481 178.998 176.519 -0.003 0.000 1.241 406 W CA 2.217 59.569 57.345 0.011 0.000 1.264 406 W CB -0.176 29.345 29.460 0.100 0.000 1.154 406 W HN 0.127 nan 8.180 nan 0.000 0.483 407 E N -0.197 120.151 120.200 0.246 0.000 2.097 407 E HA -0.276 4.074 4.350 0.000 0.000 0.196 407 E C 2.100 178.672 176.600 -0.047 0.000 1.000 407 E CA 1.982 58.432 56.400 0.084 0.000 0.804 407 E CB -0.558 29.337 29.700 0.326 0.000 0.740 407 E HN 0.414 nan 8.360 nan 0.000 0.454 408 I N 0.987 121.550 120.570 -0.013 0.000 2.202 408 I HA -0.252 3.919 4.170 0.000 0.000 0.242 408 I C 2.605 178.656 176.117 -0.110 0.000 1.091 408 I CA 0.910 62.191 61.300 -0.032 0.000 1.368 408 I CB -0.365 37.625 38.000 -0.017 0.000 1.058 408 I HN 0.079 nan 8.210 nan 0.000 0.410 409 A N 0.944 123.666 122.820 -0.163 0.000 1.883 409 A HA -0.273 4.047 4.320 0.000 0.000 0.217 409 A C 2.430 179.840 177.584 -0.290 0.000 1.186 409 A CA 1.996 53.913 52.037 -0.200 0.000 0.624 409 A CB -0.754 18.128 19.000 -0.197 0.000 0.822 409 A HN 0.377 nan 8.150 nan 0.000 0.444 410 R N -1.070 119.132 120.500 -0.497 0.000 2.139 410 R HA -0.149 4.191 4.340 0.000 0.000 0.243 410 R C 1.851 177.963 176.300 -0.314 0.000 1.145 410 R CA 1.828 57.605 56.100 -0.538 0.000 0.976 410 R CB -0.132 29.632 30.300 -0.892 0.000 0.866 410 R HN 0.294 nan 8.270 nan 0.000 0.449 411 R N -0.061 120.300 120.500 -0.232 0.000 2.334 411 R HA 0.142 4.482 4.340 0.000 0.000 0.220 411 R C -0.696 175.536 176.300 -0.115 0.000 0.917 411 R CA 0.317 56.329 56.100 -0.146 0.000 1.073 411 R CB 0.395 30.643 30.300 -0.086 0.000 1.056 411 R HN 0.049 nan 8.270 nan 0.000 0.506 412 T N 1.496 115.980 114.554 -0.116 0.000 2.867 412 T HA 0.372 4.722 4.350 0.000 0.000 0.282 412 T C -0.156 174.499 174.700 -0.075 0.000 1.000 412 T CA -0.548 61.505 62.100 -0.079 0.000 1.042 412 T CB 1.189 70.017 68.868 -0.067 0.000 0.973 412 T HN -0.075 nan 8.240 nan 0.000 0.465 413 I N 3.280 123.817 120.570 -0.055 0.000 2.395 413 I HA 0.482 4.652 4.170 0.000 0.000 0.289 413 I C 0.995 177.089 176.117 -0.038 0.000 1.023 413 I CA -0.370 60.901 61.300 -0.050 0.000 1.350 413 I CB -0.452 37.522 38.000 -0.043 0.000 1.409 413 I HN 0.556 nan 8.210 nan 0.000 0.507 414 V N 6.188 126.078 119.914 -0.039 0.000 4.255 414 V HA 0.233 4.353 4.120 0.000 0.000 0.186 414 V C 1.048 177.127 176.094 -0.025 0.000 1.068 414 V CA 0.017 62.299 62.300 -0.030 0.000 1.418 414 V CB -0.168 31.637 31.823 -0.031 0.000 1.876 414 V HN 0.664 nan 8.190 nan 0.000 0.469 415 N N 1.295 119.980 118.700 -0.025 0.000 2.509 415 N HA 0.286 5.026 4.740 0.000 0.000 0.239 415 N C 1.132 176.627 175.510 -0.024 0.000 1.215 415 N CA 1.031 54.068 53.050 -0.021 0.000 0.882 415 N CB 0.577 39.052 38.487 -0.019 0.000 1.189 415 N HN 1.158 nan 8.380 nan 0.000 0.490 416 G N 0.507 109.290 108.800 -0.027 0.000 2.205 416 G HA2 -0.292 3.668 3.960 0.000 0.000 0.261 416 G HA3 -0.292 3.668 3.960 0.000 0.000 0.261 416 G C 0.163 175.041 174.900 -0.037 0.000 0.980 416 G CA -0.200 44.882 45.100 -0.030 0.000 0.632 416 G HN 0.402 nan 8.290 nan 0.000 0.533 417 I N 0.890 121.437 120.570 -0.038 0.000 2.371 417 I HA 0.676 4.846 4.170 0.000 0.000 0.290 417 I C 0.560 176.642 176.117 -0.058 0.000 1.028 417 I CA -0.077 61.196 61.300 -0.044 0.000 1.345 417 I CB 1.332 39.308 38.000 -0.040 0.000 1.407 417 I HN 0.421 nan 8.210 nan 0.000 0.501 418 V N 5.326 125.200 119.914 -0.067 0.000 2.817 418 V HA 0.465 4.585 4.120 0.000 0.000 0.303 418 V C -0.487 175.550 176.094 -0.096 0.000 1.151 418 V CA -0.867 61.381 62.300 -0.088 0.000 0.929 418 V CB 1.883 33.653 31.823 -0.088 0.000 1.030 418 V HN 0.629 nan 8.190 nan 0.000 0.427 419 E N 2.579 122.706 120.200 -0.122 0.000 2.349 419 E HA 0.374 4.724 4.350 0.000 0.000 0.265 419 E C -1.084 175.429 176.600 -0.145 0.000 1.064 419 E CA -0.485 55.835 56.400 -0.135 0.000 0.886 419 E CB 1.459 31.055 29.700 -0.173 0.000 1.036 419 E HN 0.847 nan 8.360 nan 0.000 0.413 420 D N 0.678 120.997 120.400 -0.135 0.000 2.382 420 D HA -0.032 4.608 4.640 0.000 0.000 0.240 420 D C -0.407 175.797 176.300 -0.159 0.000 1.146 420 D CA 0.203 54.132 54.000 -0.119 0.000 0.897 420 D CB 0.186 40.927 40.800 -0.098 0.000 1.197 420 D HN 0.273 nan 8.370 nan 0.000 0.432 421 Y N 0.852 121.026 120.300 -0.210 0.000 2.610 421 Y HA 0.283 4.833 4.550 0.000 0.000 0.332 421 Y C 0.440 176.204 175.900 -0.227 0.000 1.201 421 Y CA 0.339 58.304 58.100 -0.224 0.000 1.465 421 Y CB 0.120 38.438 38.460 -0.236 0.000 1.283 421 Y HN 0.390 nan 8.280 nan 0.000 0.563 422 R N 6.323 126.167 120.500 -1.093 0.000 2.698 422 R HA 0.597 4.937 4.340 0.000 0.000 0.275 422 R C -3.280 172.585 176.300 -0.724 0.000 1.001 422 R CA -1.696 53.910 56.100 -0.822 0.000 0.896 422 R CB 0.510 30.174 30.300 -1.060 0.000 1.218 422 R HN 0.588 nan 8.270 nan 0.000 0.462 423 P HA 0.358 nan 4.420 nan 0.000 0.276 423 P C -2.702 174.730 177.300 0.219 0.000 1.252 423 P CA -1.720 61.475 63.100 0.157 0.000 0.802 423 P CB 0.278 32.171 31.700 0.321 0.000 1.035 424 P HA 0.040 nan 4.420 nan 0.000 0.266 424 P C -0.242 176.881 177.300 -0.295 0.000 1.195 424 P CA 0.465 63.251 63.100 -0.524 0.000 0.768 424 P CB -0.362 31.006 31.700 -0.552 0.000 0.838 425 F N -0.322 119.337 119.950 -0.485 0.000 3.034 425 F HA -0.276 4.251 4.527 0.000 0.000 0.286 425 F C 1.394 177.056 175.800 -0.231 0.000 0.804 425 F CA 0.795 58.571 58.000 -0.373 0.000 1.161 425 F CB -3.074 35.754 39.000 -0.286 0.000 1.317 425 F HN 0.441 nan 8.300 nan 0.000 0.453 426 Y N 0.740 121.023 120.300 -0.028 0.000 2.298 426 Y HA -0.174 4.376 4.550 0.000 0.000 0.287 426 Y C 1.895 177.812 175.900 0.028 0.000 1.164 426 Y CA 1.600 59.716 58.100 0.028 0.000 1.229 426 Y CB -0.708 37.775 38.460 0.037 0.000 0.977 426 Y HN 0.326 nan 8.280 nan 0.000 0.538 427 D N 0.266 120.301 120.400 -0.609 0.000 2.348 427 D HA 0.022 4.662 4.640 0.000 0.000 0.211 427 D C 1.481 177.673 176.300 -0.179 0.000 0.998 427 D CA 1.082 54.833 54.000 -0.416 0.000 0.873 427 D CB -0.154 40.274 40.800 -0.621 0.000 0.925 427 D HN 0.448 nan 8.370 nan 0.000 0.524 428 V N -0.196 119.642 119.914 -0.126 0.000 3.548 428 V HA 0.401 4.521 4.120 0.000 0.000 0.279 428 V C 0.737 176.804 176.094 -0.046 0.000 1.446 428 V CA 0.816 63.075 62.300 -0.069 0.000 1.023 428 V CB 0.597 32.389 31.823 -0.052 0.000 0.820 428 V HN 0.144 nan 8.190 nan 0.000 0.438 429 V N -2.678 117.226 119.914 -0.016 0.000 2.925 429 V HA 0.868 4.988 4.120 0.000 0.000 0.311 429 V C -2.870 173.244 176.094 0.032 0.000 1.104 429 V CA -1.991 60.302 62.300 -0.011 0.000 0.954 429 V CB 1.678 33.476 31.823 -0.042 0.000 1.022 429 V HN 0.166 nan 8.190 nan 0.000 0.427 430 P HA 0.222 nan 4.420 nan 0.000 0.275 430 P C 0.641 177.986 177.300 0.076 0.000 1.270 430 P CA 0.185 63.317 63.100 0.053 0.000 0.791 430 P CB 0.374 32.098 31.700 0.039 0.000 1.089 431 N N 0.437 119.188 118.700 0.084 0.000 2.036 431 N HA -0.259 4.481 4.740 0.000 0.000 0.199 431 N C 0.399 175.969 175.510 0.101 0.000 1.036 431 N CA 1.968 55.078 53.050 0.100 0.000 0.870 431 N CB -1.221 37.317 38.487 0.086 0.000 1.055 431 N HN 0.439 nan 8.380 nan 0.000 0.436 432 D N 0.567 121.016 120.400 0.082 0.000 2.634 432 D HA 0.306 4.946 4.640 0.000 0.000 0.318 432 D C -2.578 173.768 176.300 0.076 0.000 1.226 432 D CA -2.108 51.943 54.000 0.084 0.000 0.899 432 D CB 0.397 41.241 40.800 0.072 0.000 1.025 432 D HN 0.220 nan 8.370 nan 0.000 0.501 433 P HA 0.041 nan 4.420 nan 0.000 0.267 433 P C 0.152 177.486 177.300 0.058 0.000 1.200 433 P CA -0.220 62.908 63.100 0.047 0.000 0.772 433 P CB 1.228 32.942 31.700 0.023 0.000 0.855 434 S N 1.646 117.373 115.700 0.044 0.000 2.600 434 S HA 0.082 4.552 4.470 0.000 0.000 0.265 434 S C 1.032 175.688 174.600 0.093 0.000 1.325 434 S CA -0.571 57.675 58.200 0.077 0.000 1.002 434 S CB -0.187 63.049 63.200 0.061 0.000 0.921 434 S HN 0.388 nan 8.310 nan 0.000 0.554 435 F N 2.168 122.114 119.950 -0.005 0.000 2.154 435 F HA -0.073 4.454 4.527 0.000 0.000 0.301 435 F C 2.204 177.982 175.800 -0.036 0.000 1.087 435 F CA 2.076 60.067 58.000 -0.015 0.000 1.274 435 F CB -0.193 38.806 39.000 -0.003 0.000 1.009 435 F HN 0.665 nan 8.300 nan 0.000 0.485 436 E N 0.007 120.198 120.200 -0.015 0.000 2.112 436 E HA -0.140 4.210 4.350 0.000 0.000 0.190 436 E C 1.940 178.460 176.600 -0.133 0.000 0.979 436 E CA 1.087 57.428 56.400 -0.098 0.000 0.814 436 E CB -0.547 29.154 29.700 0.001 0.000 0.762 436 E HN 0.460 nan 8.360 nan 0.000 0.460 437 D N 0.499 120.844 120.400 -0.093 0.000 2.123 437 D HA -0.145 4.495 4.640 0.000 0.000 0.196 437 D C 1.867 178.056 176.300 -0.184 0.000 0.992 437 D CA 0.999 54.934 54.000 -0.108 0.000 0.833 437 D CB -0.036 40.724 40.800 -0.067 0.000 0.954 437 D HN 0.129 nan 8.370 nan 0.000 0.455 438 M N 0.428 119.891 119.600 -0.227 0.000 2.156 438 M HA -0.056 4.424 4.480 0.000 0.000 0.264 438 M C 2.056 178.143 176.300 -0.355 0.000 1.067 438 M CA 0.804 55.909 55.300 -0.324 0.000 1.131 438 M CB -0.849 31.575 32.600 -0.293 0.000 1.368 438 M HN -0.030 nan 8.290 nan 0.000 0.416 439 K N 0.962 121.127 120.400 -0.391 0.000 2.044 439 K HA -0.247 4.073 4.320 0.000 0.000 0.210 439 K C 2.101 178.549 176.600 -0.253 0.000 1.049 439 K CA 1.852 57.916 56.287 -0.372 0.000 0.927 439 K CB -0.163 32.083 32.500 -0.422 0.000 0.713 439 K HN 0.260 nan 8.250 nan 0.000 0.443 440 K N 0.302 120.576 120.400 -0.210 0.000 2.026 440 K HA -0.109 4.211 4.320 0.000 0.000 0.208 440 K C 1.978 178.483 176.600 -0.158 0.000 1.048 440 K CA 1.389 57.584 56.287 -0.154 0.000 0.929 440 K CB 0.028 32.455 32.500 -0.121 0.000 0.713 440 K HN -0.004 nan 8.250 nan 0.000 0.439 441 V N 0.590 120.383 119.914 -0.202 0.000 2.323 441 V HA -0.174 3.946 4.120 0.000 0.000 0.244 441 V C 2.244 178.210 176.094 -0.213 0.000 1.041 441 V CA 1.385 63.558 62.300 -0.212 0.000 1.025 441 V CB 0.179 31.821 31.823 -0.303 0.000 0.656 441 V HN 0.185 nan 8.190 nan 0.000 0.451 442 V N -1.580 118.167 119.914 -0.279 0.000 2.535 442 V HA -0.135 3.985 4.120 0.000 0.000 0.246 442 V C 2.217 178.221 176.094 -0.150 0.000 1.045 442 V CA 1.772 63.945 62.300 -0.212 0.000 1.058 442 V CB 0.001 31.652 31.823 -0.286 0.000 0.689 442 V HN 0.608 nan 8.190 nan 0.000 0.461 443 C N -0.835 118.360 119.300 -0.174 0.000 2.587 443 C HA 0.319 4.779 4.460 0.000 0.000 0.287 443 C C 2.715 177.645 174.990 -0.101 0.000 1.374 443 C CA 0.576 59.510 59.018 -0.140 0.000 1.770 443 C CB -0.507 27.135 27.740 -0.164 0.000 2.137 443 C HN 0.429 nan 8.230 nan 0.000 0.550 444 V N 1.180 121.030 119.914 -0.106 0.000 2.270 444 V HA -0.156 3.964 4.120 0.000 0.000 0.245 444 V C 1.820 177.876 176.094 -0.064 0.000 1.043 444 V CA 2.918 65.171 62.300 -0.079 0.000 1.014 444 V CB -0.710 31.065 31.823 -0.079 0.000 0.645 444 V HN 0.341 nan 8.190 nan 0.000 0.447 445 D N -1.139 119.217 120.400 -0.072 0.000 2.355 445 D HA 0.147 4.787 4.640 0.000 0.000 0.218 445 D C 1.141 177.415 176.300 -0.043 0.000 1.004 445 D CA 0.709 54.675 54.000 -0.056 0.000 0.880 445 D CB 0.334 41.095 40.800 -0.064 0.000 0.911 445 D HN 0.630 nan 8.370 nan 0.000 0.528 446 Q N 0.472 120.246 119.800 -0.043 0.000 2.457 446 Q HA -0.229 4.111 4.340 0.000 0.000 0.283 446 Q C -0.869 175.132 176.000 0.000 0.000 1.234 446 Q CA 0.502 56.297 55.803 -0.013 0.000 0.877 446 Q CB -1.729 27.007 28.738 -0.003 0.000 1.250 446 Q HN 0.410 nan 8.270 nan 0.000 0.481 447 Q N 0.106 119.903 119.800 -0.005 0.000 2.259 447 Q HA 0.575 4.915 4.340 0.000 0.000 0.249 447 Q C 0.191 176.218 176.000 0.045 0.000 0.914 447 Q CA 0.444 56.251 55.803 0.006 0.000 0.904 447 Q CB 1.401 30.150 28.738 0.018 0.000 1.213 447 Q HN 0.466 nan 8.270 nan 0.000 0.428 448 T N -1.453 113.010 114.554 -0.151 0.000 2.901 448 T HA 0.584 4.934 4.350 0.000 0.000 0.293 448 T C -2.663 171.579 174.700 -0.764 0.000 1.084 448 T CA -2.253 59.508 62.100 -0.565 0.000 1.008 448 T CB 1.211 69.671 68.868 -0.680 0.000 1.170 448 T HN 0.227 nan 8.240 nan 0.000 0.509 449 P HA 0.207 nan 4.420 nan 0.000 0.268 449 P C 0.210 177.253 177.300 -0.429 0.000 1.205 449 P CA -0.184 62.248 63.100 -1.113 0.000 0.771 449 P CB 0.059 30.649 31.700 -1.850 0.000 0.858 450 T N 1.039 115.497 114.554 -0.161 0.000 2.817 450 T HA 0.241 4.591 4.350 0.000 0.000 0.295 450 T C 0.443 175.318 174.700 0.292 0.000 0.958 450 T CA -0.424 61.718 62.100 0.070 0.000 1.157 450 T CB -0.458 68.457 68.868 0.079 0.000 0.898 450 T HN 0.175 nan 8.240 nan 0.000 0.536 451 I N 5.782 126.491 120.570 0.232 0.000 2.452 451 I HA 0.209 4.379 4.170 0.000 0.000 0.287 451 I C -1.725 174.479 176.117 0.145 0.000 1.079 451 I CA -2.404 59.050 61.300 0.256 0.000 1.387 451 I CB 0.699 38.808 38.000 0.181 0.000 1.404 451 I HN 0.479 nan 8.210 nan 0.000 0.522 452 P HA 0.054 nan 4.420 nan 0.000 0.261 452 P C 0.678 177.986 177.300 0.012 0.000 1.203 452 P CA 0.317 63.429 63.100 0.020 0.000 0.767 452 P CB 0.265 31.925 31.700 -0.067 0.000 0.785 453 N N 4.200 122.910 118.700 0.017 0.000 2.166 453 N HA -0.221 4.519 4.740 0.000 0.000 0.186 453 N C 1.817 177.325 175.510 -0.003 0.000 1.019 453 N CA 1.608 54.664 53.050 0.010 0.000 0.856 453 N CB -0.726 37.769 38.487 0.012 0.000 0.993 453 N HN 0.518 nan 8.380 nan 0.000 0.426 454 R N 0.428 120.921 120.500 -0.011 0.000 2.159 454 R HA -0.197 4.144 4.340 0.000 0.000 0.249 454 R C 2.015 178.302 176.300 -0.022 0.000 1.136 454 R CA 2.040 58.128 56.100 -0.020 0.000 0.951 454 R CB -0.844 29.437 30.300 -0.031 0.000 0.876 454 R HN 0.514 nan 8.270 nan 0.000 0.440 455 L N 0.532 121.738 121.223 -0.028 0.000 2.103 455 L HA -0.271 4.069 4.340 0.000 0.000 0.215 455 L C 2.791 179.649 176.870 -0.020 0.000 1.080 455 L CA 1.590 56.412 54.840 -0.030 0.000 0.764 455 L CB -0.903 41.137 42.059 -0.033 0.000 0.890 455 L HN 0.529 nan 8.230 nan 0.000 0.435 456 A N -0.071 122.741 122.820 -0.013 0.000 2.042 456 A HA -0.205 4.115 4.320 0.000 0.000 0.222 456 A C 2.209 179.787 177.584 -0.010 0.000 1.167 456 A CA 1.872 53.904 52.037 -0.010 0.000 0.649 456 A CB -0.519 18.478 19.000 -0.005 0.000 0.809 456 A HN 0.476 nan 8.150 nan 0.000 0.457 457 A N -1.799 121.014 122.820 -0.012 0.000 2.307 457 A HA 0.471 4.791 4.320 0.000 0.000 0.218 457 A C 0.716 178.294 177.584 -0.011 0.000 1.228 457 A CA 1.011 53.041 52.037 -0.010 0.000 0.857 457 A CB -0.924 18.069 19.000 -0.011 0.000 0.897 457 A HN 0.725 nan 8.150 nan 0.000 0.495 458 D N 0.162 120.554 120.400 -0.012 0.000 2.780 458 D HA 0.524 5.164 4.640 0.000 0.000 0.242 458 D C -2.273 174.021 176.300 -0.011 0.000 1.135 458 D CA -1.232 52.761 54.000 -0.011 0.000 0.859 458 D CB 1.580 42.373 40.800 -0.012 0.000 1.530 458 D HN 0.005 nan 8.370 nan 0.000 0.493 459 P HA 0.017 nan 4.420 nan 0.000 0.235 459 P C 1.536 178.830 177.300 -0.011 0.000 1.177 459 P CA 0.435 63.531 63.100 -0.008 0.000 0.785 459 P CB 0.347 32.044 31.700 -0.005 0.000 0.885 460 V N 0.037 119.944 119.914 -0.011 0.000 2.427 460 V HA -0.151 3.970 4.120 0.000 0.000 0.248 460 V C 2.492 178.574 176.094 -0.020 0.000 1.051 460 V CA 1.546 63.836 62.300 -0.017 0.000 1.048 460 V CB -0.980 30.835 31.823 -0.013 0.000 0.666 460 V HN 0.049 nan 8.190 nan 0.000 0.456 461 L N -1.065 120.147 121.223 -0.019 0.000 2.575 461 L HA 0.115 4.455 4.340 0.000 0.000 0.228 461 L C 2.506 179.362 176.870 -0.024 0.000 1.075 461 L CA 0.740 55.566 54.840 -0.024 0.000 0.867 461 L CB -0.187 41.856 42.059 -0.026 0.000 1.097 461 L HN 0.298 nan 8.230 nan 0.000 0.485 462 S N 0.805 116.493 115.700 -0.019 0.000 2.351 462 S HA -0.174 4.296 4.470 0.000 0.000 0.220 462 S C 2.145 176.731 174.600 -0.022 0.000 1.035 462 S CA 1.839 60.028 58.200 -0.018 0.000 1.031 462 S CB -0.595 62.597 63.200 -0.013 0.000 0.928 462 S HN 0.481 nan 8.310 nan 0.000 0.433 463 G N 2.468 111.256 108.800 -0.020 0.000 2.740 463 G HA2 -0.308 3.652 3.960 0.000 0.000 0.224 463 G HA3 -0.308 3.652 3.960 0.000 0.000 0.224 463 G C 1.412 176.292 174.900 -0.034 0.000 1.156 463 G CA 1.522 46.608 45.100 -0.023 0.000 0.766 463 G HN 0.567 nan 8.290 nan 0.000 0.623 464 L N 0.563 121.766 121.223 -0.034 0.000 2.089 464 L HA -0.220 4.120 4.340 0.000 0.000 0.213 464 L C 3.429 180.254 176.870 -0.074 0.000 1.079 464 L CA 1.342 56.155 54.840 -0.045 0.000 0.758 464 L CB -0.666 41.369 42.059 -0.039 0.000 0.891 464 L HN 0.377 nan 8.230 nan 0.000 0.433 465 A N -0.420 122.364 122.820 -0.059 0.000 1.902 465 A HA -0.273 4.047 4.320 0.000 0.000 0.217 465 A C 2.240 179.768 177.584 -0.093 0.000 1.181 465 A CA 1.868 53.868 52.037 -0.062 0.000 0.623 465 A CB -0.475 18.509 19.000 -0.027 0.000 0.818 465 A HN 0.394 nan 8.150 nan 0.000 0.443 466 Q N -0.580 119.175 119.800 -0.075 0.000 2.079 466 Q HA -0.028 4.312 4.340 0.000 0.000 0.200 466 Q C 1.995 177.921 176.000 -0.124 0.000 0.974 466 Q CA 1.929 57.683 55.803 -0.081 0.000 0.840 466 Q CB -0.398 28.314 28.738 -0.043 0.000 0.898 466 Q HN 0.660 nan 8.270 nan 0.000 0.430 467 M N -1.018 118.512 119.600 -0.117 0.000 2.159 467 M HA -0.159 4.321 4.480 0.000 0.000 0.263 467 M C 2.076 178.216 176.300 -0.266 0.000 1.063 467 M CA 1.363 56.584 55.300 -0.132 0.000 1.110 467 M CB -0.120 32.438 32.600 -0.070 0.000 1.374 467 M HN 0.333 nan 8.290 nan 0.000 0.411 468 M N -0.804 118.578 119.600 -0.363 0.000 2.065 468 M HA -0.276 4.205 4.480 0.000 0.000 0.259 468 M C 2.162 177.893 176.300 -0.949 0.000 1.069 468 M CA 1.871 56.705 55.300 -0.776 0.000 1.110 468 M CB -0.448 31.760 32.600 -0.653 0.000 1.328 468 M HN 0.176 nan 8.290 nan 0.000 0.405 469 R N -0.003 120.211 120.500 -0.476 0.000 2.105 469 R HA -0.166 4.174 4.340 0.000 0.000 0.239 469 R C 1.673 177.700 176.300 -0.455 0.000 1.135 469 R CA 1.437 57.346 56.100 -0.318 0.000 0.967 469 R CB -0.240 29.927 30.300 -0.223 0.000 0.861 469 R HN 0.530 nan 8.270 nan 0.000 0.442 470 E N -0.908 119.065 120.200 -0.378 0.000 2.478 470 E HA -0.049 4.301 4.350 0.000 0.000 0.194 470 E C 1.401 177.957 176.600 -0.073 0.000 1.045 470 E CA 0.183 56.443 56.400 -0.232 0.000 0.868 470 E CB 0.296 29.978 29.700 -0.030 0.000 0.885 470 E HN 0.352 nan 8.360 nan 0.000 0.505 471 C N 0.066 119.230 119.300 -0.227 0.000 2.563 471 C HA 0.039 4.499 4.460 0.000 0.000 0.268 471 C C 1.145 176.194 174.990 0.098 0.000 1.365 471 C CA -0.344 58.607 59.018 -0.112 0.000 1.754 471 C CB -0.602 26.961 27.740 -0.296 0.000 1.932 471 C HN 0.570 nan 8.230 nan 0.000 0.536 472 W N -0.786 120.490 121.300 -0.040 0.000 3.123 472 W HA 0.378 5.038 4.660 0.000 0.000 0.383 472 W C 0.051 176.697 176.519 0.212 0.000 1.102 472 W CA -1.377 55.971 57.345 0.005 0.000 1.865 472 W CB -1.269 28.004 29.460 -0.312 0.000 1.111 472 W HN 0.246 nan 8.180 nan 0.000 0.621 473 Y N 2.832 123.332 120.300 0.333 0.000 2.717 473 Y HA -0.001 4.549 4.550 0.000 0.000 0.330 473 Y C -0.828 175.201 175.900 0.215 0.000 1.217 473 Y CA -0.950 57.273 58.100 0.205 0.000 1.506 473 Y CB -0.100 38.406 38.460 0.077 0.000 1.268 473 Y HN -0.155 nan 8.280 nan 0.000 0.561 474 P HA -0.172 nan 4.420 nan 0.000 0.216 474 P C 0.066 177.402 177.300 0.059 0.000 1.150 474 P CA 1.342 64.544 63.100 0.169 0.000 0.837 474 P CB 0.197 31.967 31.700 0.117 0.000 0.786 475 N N -0.202 118.513 118.700 0.025 0.000 2.402 475 N HA 0.058 4.798 4.740 0.000 0.000 0.252 475 N C -1.753 173.639 175.510 -0.196 0.000 1.118 475 N CA -2.128 50.861 53.050 -0.102 0.000 0.945 475 N CB 0.283 38.685 38.487 -0.142 0.000 1.147 475 N HN -0.105 nan 8.380 nan 0.000 0.495 476 P HA -0.140 nan 4.420 nan 0.000 0.217 476 P C 0.861 177.425 177.300 -1.226 0.000 1.148 476 P CA 1.342 64.164 63.100 -0.463 0.000 0.828 476 P CB 0.132 31.666 31.700 -0.276 0.000 0.783 477 S N -1.152 113.783 115.700 -1.274 0.000 2.522 477 S HA 0.093 4.563 4.470 0.000 0.000 0.227 477 S C 1.902 176.141 174.600 -0.602 0.000 0.986 477 S CA 0.686 58.091 58.200 -1.326 0.000 0.929 477 S CB -0.937 61.799 63.200 -0.774 0.000 0.769 477 S HN 0.113 nan 8.310 nan 0.000 0.529 478 A N 1.392 123.932 122.820 -0.466 0.000 2.167 478 A HA 0.215 4.535 4.320 0.000 0.000 0.214 478 A C 1.221 178.715 177.584 -0.150 0.000 1.151 478 A CA -0.145 51.672 52.037 -0.366 0.000 0.735 478 A CB -0.173 18.461 19.000 -0.610 0.000 0.802 478 A HN 0.465 nan 8.150 nan 0.000 0.467 479 R N -0.476 119.969 120.500 -0.092 0.000 2.582 479 R HA 0.461 4.801 4.340 0.000 0.000 0.271 479 R C -0.397 175.988 176.300 0.141 0.000 1.078 479 R CA -0.522 55.657 56.100 0.130 0.000 1.127 479 R CB 0.471 30.862 30.300 0.153 0.000 1.038 479 R HN 0.308 nan 8.270 nan 0.000 0.500 480 L N 1.307 122.617 121.223 0.145 0.000 2.483 480 L HA 0.054 4.394 4.340 0.000 0.000 0.275 480 L C 1.101 178.053 176.870 0.136 0.000 1.220 480 L CA 0.086 54.989 54.840 0.105 0.000 0.833 480 L CB 0.406 42.488 42.059 0.039 0.000 1.102 480 L HN 0.775 nan 8.230 nan 0.000 0.490 481 T N -1.056 113.566 114.554 0.113 0.000 2.874 481 T HA 0.387 4.737 4.350 0.000 0.000 0.281 481 T C 1.032 175.718 174.700 -0.025 0.000 0.994 481 T CA -0.245 61.919 62.100 0.106 0.000 1.015 481 T CB 1.585 70.518 68.868 0.108 0.000 1.028 481 T HN 0.637 nan 8.240 nan 0.000 0.523 482 A N 0.735 123.508 122.820 -0.078 0.000 1.933 482 A HA 0.027 4.347 4.320 0.000 0.000 0.218 482 A C 2.141 179.611 177.584 -0.190 0.000 1.175 482 A CA 1.301 53.167 52.037 -0.285 0.000 0.628 482 A CB -1.023 17.693 19.000 -0.473 0.000 0.814 482 A HN 0.776 nan 8.150 nan 0.000 0.444 483 L N -0.398 120.777 121.223 -0.080 0.000 2.012 483 L HA -0.116 4.224 4.340 0.000 0.000 0.210 483 L C 2.437 179.285 176.870 -0.038 0.000 1.073 483 L CA 2.361 57.177 54.840 -0.039 0.000 0.748 483 L CB -0.614 41.450 42.059 0.007 0.000 0.891 483 L HN 0.416 nan 8.230 nan 0.000 0.431 484 R N -0.664 119.819 120.500 -0.027 0.000 2.092 484 R HA -0.078 4.262 4.340 0.000 0.000 0.231 484 R C 2.215 178.488 176.300 -0.044 0.000 1.119 484 R CA 1.556 57.646 56.100 -0.017 0.000 0.970 484 R CB -0.337 29.967 30.300 0.007 0.000 0.864 484 R HN 0.444 nan 8.270 nan 0.000 0.440 485 I N 0.435 120.948 120.570 -0.095 0.000 2.163 485 I HA -0.295 3.875 4.170 0.000 0.000 0.240 485 I C 2.452 178.513 176.117 -0.094 0.000 1.081 485 I CA 1.330 62.555 61.300 -0.124 0.000 1.353 485 I CB -0.378 37.453 38.000 -0.281 0.000 1.054 485 I HN 0.209 nan 8.210 nan 0.000 0.407 486 K N 1.489 121.820 120.400 -0.115 0.000 2.032 486 K HA -0.286 4.034 4.320 0.000 0.000 0.218 486 K C 2.156 178.741 176.600 -0.024 0.000 1.054 486 K CA 2.029 58.281 56.287 -0.059 0.000 0.941 486 K CB -0.083 32.386 32.500 -0.053 0.000 0.720 486 K HN 0.223 nan 8.250 nan 0.000 0.449 487 K N -0.440 119.948 120.400 -0.020 0.000 2.032 487 K HA -0.113 4.207 4.320 0.000 0.000 0.209 487 K C 2.199 178.795 176.600 -0.006 0.000 1.048 487 K CA 2.038 58.321 56.287 -0.006 0.000 0.927 487 K CB -0.235 32.265 32.500 -0.000 0.000 0.712 487 K HN 0.245 nan 8.250 nan 0.000 0.441 488 T N 2.047 116.595 114.554 -0.010 0.000 2.684 488 T HA -0.117 4.233 4.350 0.000 0.000 0.267 488 T C 1.818 176.514 174.700 -0.006 0.000 1.036 488 T CA 1.158 63.254 62.100 -0.007 0.000 1.148 488 T CB -0.203 68.659 68.868 -0.010 0.000 0.863 488 T HN 0.124 nan 8.240 nan 0.000 0.436 489 L N 0.669 121.890 121.223 -0.004 0.000 2.275 489 L HA -0.054 4.286 4.340 0.000 0.000 0.215 489 L C 2.694 179.560 176.870 -0.007 0.000 1.119 489 L CA 1.082 55.922 54.840 -0.000 0.000 0.790 489 L CB -0.559 41.511 42.059 0.018 0.000 0.919 489 L HN 0.318 nan 8.230 nan 0.000 0.443 490 Q N 0.419 120.217 119.800 -0.004 0.000 2.378 490 Q HA -0.008 4.333 4.340 0.000 0.000 0.205 490 Q C 0.812 176.809 176.000 -0.005 0.000 0.954 490 Q CA 0.932 56.732 55.803 -0.004 0.000 0.901 490 Q CB 0.176 28.916 28.738 0.003 0.000 0.981 490 Q HN 0.517 nan 8.270 nan 0.000 0.483 491 K N 0.000 120.397 120.400 -0.005 0.000 2.780 491 K HA 0.000 4.320 4.320 0.000 0.000 0.191 491 K CA 0.000 56.284 56.287 -0.005 0.000 0.838 491 K CB 0.000 32.500 32.500 -0.001 0.000 1.064 491 K HN 0.000 nan 8.250 nan 0.000 0.543