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 3bgw_1_D DATA FIRST_RESID 12 DATA SEQUENCE NEYAEQAVLG SILTEPELIK EcPLTPEHFS PGKHFNIYFT MQDLDRKGQS DATA SEQUENCE VDFTSIAARV GEKLPQLGGF GYLTELAASV ASTTTFKQHc QTVSEYFQKR DATA SEQUENCE KAISIAQQII ENVNXXXXXX VKPIQEAVSE LMEIEXXXXX XXXXXIDEAL DATA SEQUENCE VTVYEEIESA DGNITGVPSG FTELDRMTYG YKRRNFVLIA ARPSMGKTAF DATA SEQUENCE ALKQAKNMSD NDDVVNLHSL EMGKKENIKR LIVTAGSINA QKIKAARRDF DATA SEQUENCE ASEDWGKLSM AIGEISNSNI NIFDKAGQSV NYIWSKTRQT KRKNPGKRVI DATA SEQUENCE VMIDYLQLLE PAKANDSRTN QISQISRDLK KMARELDVVV IALSQLSRQV DATA SEQUENCE EQRQDKRPML SDLRESGQLE QDADIIEFLY RDDYYDKESE SKNIVEVIIA DATA SEQUENCE KHRDGPVGTV SLAFIKEYGN FVNLE 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 12 N HA 0.000 nan 4.740 nan 0.000 0.220 12 N C 0.000 175.399 175.510 -0.186 0.000 1.280 12 N CA 0.000 52.852 53.050 -0.330 0.000 0.885 12 N CB 0.000 38.004 38.487 -0.806 0.000 1.341 13 E N 1.722 121.832 120.200 -0.149 0.000 2.251 13 E HA 0.030 4.380 4.350 0.001 0.000 0.194 13 E C 0.562 177.082 176.600 -0.134 0.000 0.964 13 E CA 0.392 56.659 56.400 -0.222 0.000 0.868 13 E CB 0.346 29.839 29.700 -0.345 0.000 0.828 13 E HN 0.578 nan 8.360 nan 0.000 0.481 14 Y N 1.355 121.632 120.300 -0.038 0.000 2.070 14 Y HA -0.231 4.320 4.550 0.001 0.000 0.280 14 Y C 2.575 178.430 175.900 -0.074 0.000 1.148 14 Y CA 1.381 59.466 58.100 -0.025 0.000 1.125 14 Y CB -0.477 37.968 38.460 -0.024 0.000 0.975 14 Y HN 0.047 nan 8.280 nan 0.000 0.492 15 A N -0.315 122.552 122.820 0.077 0.000 2.015 15 A HA -0.197 4.124 4.320 0.001 0.000 0.219 15 A C 2.085 179.663 177.584 -0.011 0.000 1.163 15 A CA 1.601 53.609 52.037 -0.048 0.000 0.646 15 A CB -0.651 18.430 19.000 0.135 0.000 0.806 15 A HN 0.559 nan 8.150 nan 0.000 0.448 16 E N -0.343 119.889 120.200 0.054 0.000 2.106 16 E HA -0.220 4.130 4.350 0.001 0.000 0.192 16 E C 2.160 178.950 176.600 0.317 0.000 0.984 16 E CA 1.207 57.724 56.400 0.195 0.000 0.806 16 E CB -0.089 29.726 29.700 0.191 0.000 0.750 16 E HN 0.770 nan 8.360 nan 0.000 0.458 17 Q N -0.159 119.775 119.800 0.223 0.000 2.046 17 Q HA -0.147 4.193 4.340 0.001 0.000 0.200 17 Q C 2.256 178.279 176.000 0.037 0.000 0.975 17 Q CA 1.268 57.153 55.803 0.136 0.000 0.836 17 Q CB -0.176 28.629 28.738 0.111 0.000 0.896 17 Q HN 0.280 nan 8.270 nan 0.000 0.428 18 A N 0.525 123.329 122.820 -0.028 0.000 1.917 18 A HA -0.194 4.127 4.320 0.001 0.000 0.219 18 A C 2.351 179.988 177.584 0.088 0.000 1.182 18 A CA 1.719 53.713 52.037 -0.073 0.000 0.633 18 A CB -0.876 17.868 19.000 -0.428 0.000 0.819 18 A HN 0.223 nan 8.150 nan 0.000 0.448 19 V N -0.012 120.012 119.914 0.183 0.000 2.261 19 V HA -0.259 3.862 4.120 0.001 0.000 0.246 19 V C 2.577 178.833 176.094 0.269 0.000 1.047 19 V CA 1.980 64.501 62.300 0.368 0.000 1.015 19 V CB -0.830 31.229 31.823 0.395 0.000 0.642 19 V HN 0.579 nan 8.190 nan 0.000 0.446 20 L N 0.291 121.628 121.223 0.191 0.000 2.042 20 L HA -0.133 4.207 4.340 0.001 0.000 0.210 20 L C 2.618 179.417 176.870 -0.119 0.000 1.076 20 L CA 1.884 56.718 54.840 -0.009 0.000 0.749 20 L CB -1.188 40.794 42.059 -0.129 0.000 0.893 20 L HN 0.498 nan 8.230 nan 0.000 0.432 21 G N -0.158 108.580 108.800 -0.102 0.000 2.434 21 G HA2 -0.277 3.684 3.960 0.001 0.000 0.214 21 G HA3 -0.277 3.684 3.960 0.001 0.000 0.214 21 G C 1.724 176.542 174.900 -0.137 0.000 1.202 21 G CA 0.949 45.965 45.100 -0.140 0.000 0.788 21 G HN 0.496 nan 8.290 nan 0.000 0.539 22 S N 0.475 116.125 115.700 -0.084 0.000 2.440 22 S HA -0.022 4.449 4.470 0.001 0.000 0.238 22 S C 2.233 176.660 174.600 -0.288 0.000 1.010 22 S CA 1.096 59.211 58.200 -0.141 0.000 0.972 22 S CB -0.292 62.868 63.200 -0.067 0.000 0.774 22 S HN 0.383 nan 8.310 nan 0.000 0.501 23 I N 0.998 121.405 120.570 -0.270 0.000 2.400 23 I HA -0.014 4.156 4.170 0.001 0.000 0.248 23 I C 2.156 178.083 176.117 -0.317 0.000 1.109 23 I CA 0.808 61.922 61.300 -0.311 0.000 1.425 23 I CB -0.283 37.595 38.000 -0.204 0.000 1.094 23 I HN 0.260 nan 8.210 nan 0.000 0.425 24 L N 0.123 121.138 121.223 -0.346 0.000 2.275 24 L HA -0.153 4.187 4.340 0.001 0.000 0.215 24 L C 2.398 178.977 176.870 -0.485 0.000 1.119 24 L CA 1.092 55.622 54.840 -0.517 0.000 0.790 24 L CB -0.900 40.800 42.059 -0.598 0.000 0.919 24 L HN 0.276 nan 8.230 nan 0.000 0.443 25 T N -1.306 113.078 114.554 -0.285 0.000 2.814 25 T HA -0.012 4.338 4.350 0.001 0.000 0.254 25 T C 0.724 175.328 174.700 -0.160 0.000 1.037 25 T CA 0.816 62.819 62.100 -0.161 0.000 1.143 25 T CB 0.093 68.899 68.868 -0.103 0.000 0.866 25 T HN 0.157 nan 8.240 nan 0.000 0.431 26 E N 1.855 121.932 120.200 -0.205 0.000 2.173 26 E HA 0.236 4.586 4.350 0.001 0.000 0.249 26 E C -2.454 174.015 176.600 -0.220 0.000 0.923 26 E CA -2.341 53.946 56.400 -0.190 0.000 0.754 26 E CB 1.303 30.885 29.700 -0.196 0.000 1.177 26 E HN 0.228 nan 8.360 nan 0.000 0.430 27 P HA -0.077 nan 4.420 nan 0.000 0.288 27 P C 0.394 177.601 177.300 -0.156 0.000 1.448 27 P CA 0.753 63.736 63.100 -0.194 0.000 0.764 27 P CB -0.163 31.435 31.700 -0.170 0.000 1.472 28 E N -1.995 118.113 120.200 -0.153 0.000 2.715 28 E HA 0.105 4.456 4.350 0.001 0.000 0.224 28 E C 0.687 177.220 176.600 -0.113 0.000 0.962 28 E CA -0.230 56.103 56.400 -0.112 0.000 1.145 28 E CB -0.334 29.315 29.700 -0.085 0.000 1.083 28 E HN 0.053 nan 8.360 nan 0.000 0.506 29 L N 0.974 122.086 121.223 -0.186 0.000 2.513 29 L HA 0.158 4.499 4.340 0.001 0.000 0.222 29 L C 1.909 178.759 176.870 -0.034 0.000 1.096 29 L CA 0.558 55.263 54.840 -0.225 0.000 0.857 29 L CB 0.056 41.682 42.059 -0.722 0.000 1.026 29 L HN 0.210 nan 8.230 nan 0.000 0.469 30 I N -2.411 118.126 120.570 -0.055 0.000 2.423 30 I HA -0.203 3.967 4.170 0.001 0.000 0.254 30 I C 2.113 178.269 176.117 0.066 0.000 1.151 30 I CA 1.378 62.692 61.300 0.022 0.000 1.421 30 I CB -0.912 37.016 38.000 -0.119 0.000 1.079 30 I HN 0.008 nan 8.210 nan 0.000 0.431 31 K N 1.178 121.598 120.400 0.032 0.000 2.098 31 K HA 0.036 4.356 4.320 0.001 0.000 0.203 31 K C 1.908 178.556 176.600 0.081 0.000 1.051 31 K CA 0.990 57.299 56.287 0.038 0.000 0.957 31 K CB -0.317 32.186 32.500 0.005 0.000 0.738 31 K HN 0.482 nan 8.250 nan 0.000 0.447 32 E N -0.244 120.029 120.200 0.122 0.000 2.515 32 E HA -0.099 4.251 4.350 0.001 0.000 0.201 32 E C -0.060 176.656 176.600 0.194 0.000 1.071 32 E CA 0.197 56.696 56.400 0.165 0.000 0.880 32 E CB 0.008 29.834 29.700 0.210 0.000 0.828 32 E HN 0.035 nan 8.360 nan 0.000 0.540 33 c N 1.415 120.139 118.600 0.206 0.000 2.887 33 c HA 0.261 4.832 4.570 0.001 0.000 0.379 33 c C -2.674 171.466 174.090 0.084 0.000 1.064 33 c CA -1.745 54.637 56.329 0.088 0.000 1.282 33 c CB 0.902 43.373 42.510 -0.065 0.000 1.749 33 c HN 0.058 nan 8.230 nan 0.000 0.489 34 P HA 0.578 nan 4.420 nan 0.000 0.281 34 P C -1.085 176.144 177.300 -0.119 0.000 1.252 34 P CA 0.093 63.198 63.100 0.008 0.000 0.778 34 P CB 1.037 32.740 31.700 0.005 0.000 0.895 35 L N 1.616 122.757 121.223 -0.138 0.000 2.600 35 L HA 0.612 4.953 4.340 0.001 0.000 0.257 35 L C 0.161 176.815 176.870 -0.360 0.000 1.048 35 L CA -0.694 53.790 54.840 -0.593 0.000 0.869 35 L CB 2.444 44.010 42.059 -0.821 0.000 1.482 35 L HN 0.351 nan 8.230 nan 0.000 0.408 36 T N -3.767 110.532 114.554 -0.425 0.000 2.924 36 T HA 0.442 4.792 4.350 0.001 0.000 0.291 36 T C -2.342 172.338 174.700 -0.033 0.000 1.045 36 T CA -1.969 60.106 62.100 -0.040 0.000 1.015 36 T CB 2.051 70.975 68.868 0.092 0.000 1.103 36 T HN 0.354 nan 8.240 nan 0.000 0.496 37 P HA -0.153 nan 4.420 nan 0.000 0.220 37 P C 1.150 178.560 177.300 0.183 0.000 1.144 37 P CA 1.109 64.146 63.100 -0.105 0.000 0.800 37 P CB 0.131 31.431 31.700 -0.666 0.000 0.772 38 E N -0.505 119.857 120.200 0.271 0.000 2.209 38 E HA -0.204 4.146 4.350 0.001 0.000 0.196 38 E C 2.020 178.763 176.600 0.238 0.000 0.993 38 E CA 1.027 57.642 56.400 0.359 0.000 0.819 38 E CB -1.119 28.736 29.700 0.258 0.000 0.745 38 E HN 0.591 nan 8.360 nan 0.000 0.477 39 H N -0.433 118.560 119.070 -0.128 0.000 2.389 39 H HA -0.008 4.548 4.556 0.001 0.000 0.299 39 H C 0.491 175.715 175.328 -0.174 0.000 1.081 39 H CA 0.447 56.322 56.048 -0.288 0.000 1.345 39 H CB -0.074 29.237 29.762 -0.751 0.000 1.393 39 H HN 0.079 nan 8.280 nan 0.000 0.520 40 F N 1.033 121.092 119.950 0.182 0.000 2.380 40 F HA 0.119 4.647 4.527 0.001 0.000 0.325 40 F C 1.208 177.154 175.800 0.243 0.000 1.136 40 F CA -0.572 57.545 58.000 0.195 0.000 1.171 40 F CB 0.724 39.843 39.000 0.199 0.000 1.230 40 F HN -0.173 nan 8.300 nan 0.000 0.554 41 S N 3.043 118.937 115.700 0.323 0.000 2.569 41 S HA 0.099 4.569 4.470 0.001 0.000 0.274 41 S C -2.175 172.582 174.600 0.261 0.000 1.353 41 S CA -0.921 57.385 58.200 0.176 0.000 1.023 41 S CB -0.098 63.084 63.200 -0.030 0.000 0.876 41 S HN 0.316 nan 8.310 nan 0.000 0.540 42 P HA 0.199 nan 4.420 nan 0.000 0.271 42 P C 1.028 178.394 177.300 0.110 0.000 1.233 42 P CA 0.469 63.584 63.100 0.024 0.000 0.789 42 P CB -0.024 31.637 31.700 -0.064 0.000 0.951 43 G N 1.406 110.246 108.800 0.066 0.000 2.601 43 G HA2 -0.364 3.596 3.960 0.001 0.000 0.306 43 G HA3 -0.364 3.596 3.960 0.001 0.000 0.306 43 G C 1.092 176.128 174.900 0.226 0.000 1.172 43 G CA 0.907 46.076 45.100 0.116 0.000 0.966 43 G HN 0.535 nan 8.290 nan 0.000 0.542 44 K N -0.392 120.134 120.400 0.212 0.000 1.974 44 K HA -0.146 4.175 4.320 0.001 0.000 0.226 44 K C 2.046 178.815 176.600 0.281 0.000 1.039 44 K CA 2.060 58.490 56.287 0.238 0.000 1.022 44 K CB -0.683 31.965 32.500 0.248 0.000 0.746 44 K HN 0.622 nan 8.250 nan 0.000 0.445 45 H N -0.382 118.817 119.070 0.215 0.000 2.400 45 H HA -0.201 4.355 4.556 0.001 0.000 0.295 45 H C 1.796 177.199 175.328 0.125 0.000 1.118 45 H CA 1.990 58.143 56.048 0.175 0.000 1.256 45 H CB -0.461 29.479 29.762 0.297 0.000 1.365 45 H HN 0.256 nan 8.280 nan 0.000 0.502 46 F N 1.497 121.591 119.950 0.239 0.000 2.014 46 F HA -0.230 4.297 4.527 0.001 0.000 0.295 46 F C 2.102 177.992 175.800 0.149 0.000 1.145 46 F CA 1.542 59.659 58.000 0.195 0.000 1.178 46 F CB -0.290 38.804 39.000 0.157 0.000 0.972 46 F HN 0.079 nan 8.300 nan 0.000 0.476 47 N N 0.888 119.778 118.700 0.316 0.000 2.205 47 N HA -0.178 4.563 4.740 0.001 0.000 0.186 47 N C 1.968 177.529 175.510 0.086 0.000 1.015 47 N CA 1.398 54.571 53.050 0.205 0.000 0.862 47 N CB -0.412 38.197 38.487 0.203 0.000 0.986 47 N HN 0.317 nan 8.380 nan 0.000 0.429 48 I N -0.117 120.462 120.570 0.015 0.000 2.361 48 I HA -0.254 3.916 4.170 0.001 0.000 0.251 48 I C 1.918 177.914 176.117 -0.202 0.000 1.133 48 I CA 1.141 62.375 61.300 -0.111 0.000 1.413 48 I CB -0.797 37.094 38.000 -0.181 0.000 1.073 48 I HN 0.139 nan 8.210 nan 0.000 0.424 49 Y N -0.060 120.019 120.300 -0.369 0.000 2.396 49 Y HA -0.127 4.423 4.550 0.001 0.000 0.292 49 Y C 2.496 178.243 175.900 -0.256 0.000 1.128 49 Y CA 0.589 58.434 58.100 -0.426 0.000 1.194 49 Y CB -0.243 37.790 38.460 -0.712 0.000 1.124 49 Y HN -0.005 nan 8.280 nan 0.000 0.543 50 F N 1.076 120.903 119.950 -0.206 0.000 2.065 50 F HA -0.311 4.216 4.527 0.001 0.000 0.298 50 F C 2.582 178.281 175.800 -0.168 0.000 1.112 50 F CA 2.693 60.572 58.000 -0.202 0.000 1.212 50 F CB -0.876 37.981 39.000 -0.238 0.000 0.975 50 F HN 0.134 nan 8.300 nan 0.000 0.476 51 T N -1.690 112.812 114.554 -0.086 0.000 2.904 51 T HA -0.231 4.120 4.350 0.001 0.000 0.267 51 T C 2.017 176.552 174.700 -0.276 0.000 1.059 51 T CA 1.342 63.337 62.100 -0.175 0.000 1.137 51 T CB -0.671 68.186 68.868 -0.017 0.000 0.879 51 T HN 0.508 nan 8.240 nan 0.000 0.467 52 M N 0.581 119.981 119.600 -0.334 0.000 2.132 52 M HA -0.046 4.434 4.480 0.001 0.000 0.263 52 M C 2.638 178.636 176.300 -0.502 0.000 1.065 52 M CA 1.572 56.615 55.300 -0.429 0.000 1.122 52 M CB -0.223 32.054 32.600 -0.538 0.000 1.365 52 M HN 0.317 nan 8.290 nan 0.000 0.411 53 Q N -0.293 119.144 119.800 -0.604 0.000 2.123 53 Q HA -0.220 4.120 4.340 0.001 0.000 0.199 53 Q C 1.574 177.366 176.000 -0.347 0.000 0.966 53 Q CA 1.828 57.335 55.803 -0.493 0.000 0.845 53 Q CB -0.067 28.438 28.738 -0.388 0.000 0.907 53 Q HN 0.538 nan 8.270 nan 0.000 0.439 54 D N 0.385 120.544 120.400 -0.401 0.000 2.104 54 D HA -0.181 4.459 4.640 0.001 0.000 0.194 54 D C 1.832 177.992 176.300 -0.234 0.000 0.994 54 D CA 1.176 54.968 54.000 -0.347 0.000 0.830 54 D CB -0.218 40.317 40.800 -0.442 0.000 0.959 54 D HN 0.318 nan 8.370 nan 0.000 0.452 55 L N -0.104 120.984 121.223 -0.225 0.000 2.265 55 L HA -0.107 4.233 4.340 0.001 0.000 0.215 55 L C 2.017 178.796 176.870 -0.152 0.000 1.117 55 L CA 0.983 55.723 54.840 -0.167 0.000 0.782 55 L CB -0.355 41.608 42.059 -0.161 0.000 0.914 55 L HN 0.090 nan 8.230 nan 0.000 0.441 56 D N 0.357 120.651 120.400 -0.177 0.000 2.120 56 D HA -0.122 4.519 4.640 0.001 0.000 0.202 56 D C 2.299 178.531 176.300 -0.113 0.000 0.972 56 D CA 1.116 55.029 54.000 -0.145 0.000 0.837 56 D CB 0.164 40.864 40.800 -0.166 0.000 0.989 56 D HN 0.063 nan 8.370 nan 0.000 0.469 57 R N 0.078 120.506 120.500 -0.121 0.000 2.120 57 R HA -0.016 4.325 4.340 0.001 0.000 0.234 57 R C 1.980 178.234 176.300 -0.077 0.000 1.123 57 R CA 0.983 57.028 56.100 -0.091 0.000 0.975 57 R CB -0.001 30.241 30.300 -0.097 0.000 0.866 57 R HN 0.169 nan 8.270 nan 0.000 0.446 58 K N -0.186 120.161 120.400 -0.088 0.000 2.525 58 K HA 0.044 4.364 4.320 0.001 0.000 0.192 58 K C 0.513 177.077 176.600 -0.060 0.000 1.029 58 K CA 0.557 56.802 56.287 -0.070 0.000 1.029 58 K CB 0.460 32.915 32.500 -0.075 0.000 0.814 58 K HN 0.350 nan 8.250 nan 0.000 0.503 59 G N 2.192 110.954 108.800 -0.064 0.000 2.326 59 G HA2 -0.260 3.700 3.960 0.001 0.000 0.286 59 G HA3 -0.260 3.700 3.960 0.001 0.000 0.286 59 G C -0.399 174.468 174.900 -0.056 0.000 1.096 59 G CA 0.111 45.178 45.100 -0.055 0.000 1.003 59 G HN 0.364 nan 8.290 nan 0.000 0.503 60 Q N -1.037 118.721 119.800 -0.070 0.000 3.177 60 Q HA 0.787 5.127 4.340 0.001 0.000 0.339 60 Q C 0.340 176.292 176.000 -0.081 0.000 0.912 60 Q CA -0.364 55.399 55.803 -0.068 0.000 0.818 60 Q CB 1.256 29.953 28.738 -0.068 0.000 1.448 60 Q HN 0.750 nan 8.270 nan 0.000 0.489 61 S N -0.779 114.872 115.700 -0.081 0.000 2.681 61 S HA 0.726 5.196 4.470 0.001 0.000 0.299 61 S C -0.661 173.865 174.600 -0.123 0.000 1.113 61 S CA -0.635 57.508 58.200 -0.095 0.000 1.013 61 S CB 1.429 64.584 63.200 -0.074 0.000 1.076 61 S HN 0.285 nan 8.310 nan 0.000 0.534 62 V N 3.048 122.868 119.914 -0.158 0.000 2.327 62 V HA 0.486 4.606 4.120 0.001 0.000 0.272 62 V C -1.126 174.812 176.094 -0.259 0.000 1.019 62 V CA -0.555 61.620 62.300 -0.208 0.000 0.814 62 V CB 0.247 31.919 31.823 -0.250 0.000 1.040 62 V HN 1.039 nan 8.190 nan 0.000 0.440 63 D N 2.831 123.088 120.400 -0.237 0.000 2.570 63 D HA 0.351 4.992 4.640 0.001 0.000 0.244 63 D C 0.789 176.939 176.300 -0.249 0.000 1.178 63 D CA -0.802 52.986 54.000 -0.353 0.000 0.881 63 D CB 1.420 42.129 40.800 -0.150 0.000 1.453 63 D HN 0.097 nan 8.370 nan 0.000 0.447 64 F N 0.489 120.355 119.950 -0.139 0.000 2.045 64 F HA -0.253 4.274 4.527 0.001 0.000 0.297 64 F C 2.538 178.333 175.800 -0.007 0.000 1.114 64 F CA 1.929 59.813 58.000 -0.193 0.000 1.207 64 F CB -2.154 36.660 39.000 -0.311 0.000 0.964 64 F HN 0.323 nan 8.300 nan 0.000 0.486 65 T N -0.775 114.021 114.554 0.402 0.000 2.653 65 T HA -0.296 4.054 4.350 0.001 0.000 0.268 65 T C 2.200 176.989 174.700 0.148 0.000 1.035 65 T CA 2.039 64.303 62.100 0.273 0.000 1.154 65 T CB -0.788 68.200 68.868 0.200 0.000 0.862 65 T HN 0.403 nan 8.240 nan 0.000 0.441 66 S N 0.311 116.056 115.700 0.075 0.000 2.371 66 S HA 0.018 4.488 4.470 0.001 0.000 0.224 66 S C 2.080 176.680 174.600 -0.000 0.000 1.029 66 S CA 0.564 58.773 58.200 0.016 0.000 0.978 66 S CB -0.488 62.694 63.200 -0.030 0.000 0.833 66 S HN 0.467 nan 8.310 nan 0.000 0.466 67 I N 1.833 122.387 120.570 -0.026 0.000 2.127 67 I HA -0.174 3.996 4.170 0.001 0.000 0.241 67 I C 2.827 178.955 176.117 0.018 0.000 1.075 67 I CA 1.364 62.638 61.300 -0.044 0.000 1.334 67 I CB -0.629 37.308 38.000 -0.104 0.000 1.040 67 I HN 0.385 nan 8.210 nan 0.000 0.405 68 A N 0.509 123.379 122.820 0.083 0.000 2.070 68 A HA -0.029 4.291 4.320 0.001 0.000 0.220 68 A C 2.416 180.066 177.584 0.110 0.000 1.159 68 A CA 1.589 53.715 52.037 0.149 0.000 0.656 68 A CB -0.589 18.616 19.000 0.341 0.000 0.800 68 A HN 0.473 nan 8.150 nan 0.000 0.453 69 A N -0.337 122.532 122.820 0.082 0.000 2.021 69 A HA 0.083 4.403 4.320 0.001 0.000 0.216 69 A C 2.079 179.682 177.584 0.031 0.000 1.163 69 A CA 1.531 53.599 52.037 0.052 0.000 0.676 69 A CB -0.292 18.733 19.000 0.042 0.000 0.818 69 A HN 0.479 nan 8.150 nan 0.000 0.453 70 R N 0.768 121.281 120.500 0.022 0.000 2.060 70 R HA -0.058 4.283 4.340 0.001 0.000 0.225 70 R C 0.811 177.127 176.300 0.026 0.000 1.155 70 R CA 2.161 58.267 56.100 0.010 0.000 0.930 70 R CB -1.038 29.254 30.300 -0.013 0.000 0.829 70 R HN 0.431 nan 8.270 nan 0.000 0.433 71 V N -0.069 119.867 119.914 0.037 0.000 2.153 71 V HA 0.423 4.543 4.120 0.001 0.000 0.250 71 V C 1.224 177.351 176.094 0.055 0.000 1.334 71 V CA -0.062 62.269 62.300 0.051 0.000 1.249 71 V CB -0.158 31.704 31.823 0.065 0.000 1.371 71 V HN 0.451 nan 8.190 nan 0.000 0.498 72 G N 2.415 111.243 108.800 0.047 0.000 2.421 72 G HA2 -0.221 3.740 3.960 0.001 0.000 0.216 72 G HA3 -0.221 3.740 3.960 0.001 0.000 0.216 72 G C 1.221 176.148 174.900 0.045 0.000 1.171 72 G CA 1.023 46.150 45.100 0.046 0.000 0.775 72 G HN 0.676 nan 8.290 nan 0.000 0.543 73 E N 0.212 120.436 120.200 0.040 0.000 2.122 73 E HA 0.030 4.380 4.350 0.001 0.000 0.190 73 E C 1.381 178.007 176.600 0.042 0.000 0.977 73 E CA 0.373 56.794 56.400 0.036 0.000 0.820 73 E CB 0.058 29.776 29.700 0.030 0.000 0.770 73 E HN 0.318 nan 8.360 nan 0.000 0.462 74 K N 0.894 121.323 120.400 0.049 0.000 2.684 74 K HA 0.066 4.386 4.320 0.001 0.000 0.215 74 K C 1.189 177.827 176.600 0.064 0.000 1.073 74 K CA -0.308 56.011 56.287 0.053 0.000 1.197 74 K CB 0.442 32.975 32.500 0.056 0.000 0.955 74 K HN 0.078 nan 8.250 nan 0.000 0.473 75 L N 2.350 123.615 121.223 0.069 0.000 2.056 75 L HA -0.055 4.285 4.340 0.001 0.000 0.207 75 L C -1.119 175.802 176.870 0.086 0.000 1.078 75 L CA 1.672 56.564 54.840 0.086 0.000 0.749 75 L CB -0.666 41.458 42.059 0.109 0.000 0.901 75 L HN 0.097 nan 8.230 nan 0.000 0.433 76 P HA -0.229 nan 4.420 nan 0.000 0.219 76 P C 1.122 178.456 177.300 0.057 0.000 1.146 76 P CA 1.440 64.579 63.100 0.065 0.000 0.808 76 P CB -0.187 31.541 31.700 0.047 0.000 0.779 77 Q N -1.024 118.811 119.800 0.058 0.000 2.541 77 Q HA -0.011 4.329 4.340 0.001 0.000 0.215 77 Q C 0.884 176.931 176.000 0.077 0.000 0.977 77 Q CA 0.535 56.373 55.803 0.058 0.000 0.934 77 Q CB -0.289 28.483 28.738 0.056 0.000 0.988 77 Q HN 0.273 nan 8.270 nan 0.000 0.521 78 L N -1.119 120.157 121.223 0.088 0.000 2.818 78 L HA 0.268 4.608 4.340 0.001 0.000 0.243 78 L C 1.008 177.978 176.870 0.167 0.000 1.185 78 L CA 0.467 55.375 54.840 0.112 0.000 0.988 78 L CB 0.641 42.748 42.059 0.080 0.000 1.292 78 L HN 0.195 nan 8.230 nan 0.000 0.519 79 G N -1.360 107.498 108.800 0.097 0.000 2.157 79 G HA2 -0.025 3.936 3.960 0.001 0.000 0.248 79 G HA3 -0.025 3.936 3.960 0.001 0.000 0.248 79 G C 0.779 175.747 174.900 0.112 0.000 0.979 79 G CA 0.043 45.165 45.100 0.036 0.000 0.650 79 G HN 0.926 nan 8.290 nan 0.000 0.529 80 G N -1.912 106.962 108.800 0.124 0.000 2.814 80 G HA2 0.061 4.021 3.960 0.001 0.000 0.677 80 G HA3 0.061 4.021 3.960 0.001 0.000 0.677 80 G C 0.427 175.444 174.900 0.195 0.000 1.429 80 G CA 0.113 45.303 45.100 0.150 0.000 0.868 80 G HN 1.377 nan 8.290 nan 0.000 0.553 81 F N 1.688 121.684 119.950 0.077 0.000 2.171 81 F HA 0.074 4.602 4.527 0.001 0.000 0.300 81 F C 2.624 178.474 175.800 0.083 0.000 1.090 81 F CA 2.789 60.833 58.000 0.074 0.000 1.293 81 F CB -0.274 38.752 39.000 0.042 0.000 1.013 81 F HN 0.709 nan 8.300 nan 0.000 0.486 82 G N -1.542 107.445 108.800 0.313 0.000 2.535 82 G HA2 -0.322 3.638 3.960 0.001 0.000 0.218 82 G HA3 -0.322 3.638 3.960 0.001 0.000 0.218 82 G C 1.266 176.280 174.900 0.190 0.000 1.122 82 G CA 0.867 46.103 45.100 0.228 0.000 0.769 82 G HN 0.503 nan 8.290 nan 0.000 0.549 83 Y N 0.640 120.943 120.300 0.005 0.000 2.389 83 Y HA 0.284 4.834 4.550 0.001 0.000 0.292 83 Y C 2.444 178.300 175.900 -0.074 0.000 1.117 83 Y CA 0.016 58.099 58.100 -0.029 0.000 1.195 83 Y CB -0.166 38.276 38.460 -0.031 0.000 1.076 83 Y HN 0.082 nan 8.280 nan 0.000 0.548 84 L N -0.172 120.922 121.223 -0.214 0.000 2.042 84 L HA -0.241 4.099 4.340 0.001 0.000 0.210 84 L C 2.376 179.149 176.870 -0.162 0.000 1.076 84 L CA 2.121 56.773 54.840 -0.313 0.000 0.749 84 L CB -1.322 40.529 42.059 -0.347 0.000 0.893 84 L HN 0.297 nan 8.230 nan 0.000 0.432 85 T N -3.051 111.437 114.554 -0.109 0.000 2.821 85 T HA -0.230 4.120 4.350 0.001 0.000 0.267 85 T C 1.674 176.368 174.700 -0.010 0.000 1.046 85 T CA 1.253 63.346 62.100 -0.012 0.000 1.139 85 T CB -0.276 68.584 68.868 -0.014 0.000 0.871 85 T HN 0.376 nan 8.240 nan 0.000 0.454 86 E N 0.886 121.069 120.200 -0.027 0.000 2.106 86 E HA -0.063 4.288 4.350 0.001 0.000 0.192 86 E C 2.149 178.703 176.600 -0.077 0.000 0.984 86 E CA 0.691 57.088 56.400 -0.005 0.000 0.806 86 E CB -0.258 29.499 29.700 0.094 0.000 0.750 86 E HN 0.531 nan 8.360 nan 0.000 0.458 87 L N 0.301 121.382 121.223 -0.237 0.000 2.027 87 L HA -0.139 4.201 4.340 0.001 0.000 0.206 87 L C 2.650 179.440 176.870 -0.133 0.000 1.074 87 L CA 1.138 55.818 54.840 -0.267 0.000 0.745 87 L CB -0.421 41.350 42.059 -0.480 0.000 0.898 87 L HN 0.193 nan 8.230 nan 0.000 0.433 88 A N -0.259 122.512 122.820 -0.082 0.000 2.019 88 A HA -0.111 4.209 4.320 0.001 0.000 0.219 88 A C 2.417 180.013 177.584 0.020 0.000 1.164 88 A CA 1.633 53.670 52.037 0.000 0.000 0.644 88 A CB -0.543 18.580 19.000 0.204 0.000 0.805 88 A HN 0.420 nan 8.150 nan 0.000 0.449 89 A N -1.181 121.648 122.820 0.015 0.000 2.021 89 A HA 0.063 4.383 4.320 0.001 0.000 0.216 89 A C 2.321 179.914 177.584 0.016 0.000 1.163 89 A CA 1.542 53.591 52.037 0.019 0.000 0.676 89 A CB -0.677 18.335 19.000 0.021 0.000 0.818 89 A HN 0.509 nan 8.150 nan 0.000 0.453 90 S N -0.435 115.267 115.700 0.004 0.000 2.442 90 S HA -0.023 4.447 4.470 0.001 0.000 0.236 90 S C 0.607 175.218 174.600 0.017 0.000 1.007 90 S CA 0.682 58.891 58.200 0.015 0.000 0.965 90 S CB -0.443 62.762 63.200 0.008 0.000 0.773 90 S HN 0.191 nan 8.310 nan 0.000 0.504 91 V N 2.694 122.614 119.914 0.008 0.000 2.372 91 V HA 0.401 4.522 4.120 0.001 0.000 0.261 91 V C 1.283 177.396 176.094 0.031 0.000 1.055 91 V CA 0.024 62.336 62.300 0.020 0.000 0.930 91 V CB 0.187 32.014 31.823 0.006 0.000 1.031 91 V HN 0.444 nan 8.190 nan 0.000 0.479 92 A N 4.377 127.224 122.820 0.045 0.000 1.845 92 A HA 0.021 4.341 4.320 0.001 0.000 0.215 92 A C 1.287 178.897 177.584 0.042 0.000 1.195 92 A CA 1.604 53.667 52.037 0.044 0.000 0.616 92 A CB -0.039 18.992 19.000 0.052 0.000 0.832 92 A HN 0.725 nan 8.150 nan 0.000 0.443 93 S N -2.412 113.322 115.700 0.056 0.000 2.540 93 S HA 0.418 4.888 4.470 0.001 0.000 0.275 93 S C 0.222 174.865 174.600 0.071 0.000 1.123 93 S CA 0.165 58.395 58.200 0.051 0.000 0.907 93 S CB 1.513 64.742 63.200 0.049 0.000 1.081 93 S HN 0.675 nan 8.310 nan 0.000 0.476 94 T N 1.165 115.748 114.554 0.049 0.000 3.434 94 T HA 0.158 4.508 4.350 0.001 0.000 0.249 94 T C 0.989 175.755 174.700 0.109 0.000 1.050 94 T CA 0.181 62.316 62.100 0.059 0.000 0.952 94 T CB -0.593 68.256 68.868 -0.033 0.000 1.046 94 T HN 0.497 nan 8.240 nan 0.000 0.590 95 T N 1.648 116.267 114.554 0.107 0.000 3.009 95 T HA -0.005 4.345 4.350 0.001 0.000 0.258 95 T C 1.988 176.756 174.700 0.114 0.000 1.063 95 T CA 1.238 63.397 62.100 0.098 0.000 1.139 95 T CB -0.187 68.718 68.868 0.062 0.000 0.890 95 T HN 0.730 nan 8.240 nan 0.000 0.471 96 T N 0.102 114.737 114.554 0.135 0.000 3.235 96 T HA 0.185 4.535 4.350 0.001 0.000 0.251 96 T C 1.386 176.189 174.700 0.173 0.000 1.060 96 T CA -0.407 61.744 62.100 0.085 0.000 0.949 96 T CB -0.795 68.094 68.868 0.035 0.000 1.020 96 T HN 0.188 nan 8.240 nan 0.000 0.564 97 F N 2.809 122.811 119.950 0.087 0.000 2.171 97 F HA 0.029 4.557 4.527 0.001 0.000 0.300 97 F C 1.960 177.803 175.800 0.071 0.000 1.090 97 F CA 1.005 59.066 58.000 0.102 0.000 1.293 97 F CB -0.181 38.857 39.000 0.063 0.000 1.013 97 F HN 0.011 nan 8.300 nan 0.000 0.486 98 K N 0.275 120.601 120.400 -0.124 0.000 2.002 98 K HA -0.254 4.066 4.320 0.001 0.000 0.209 98 K C 2.147 178.630 176.600 -0.195 0.000 1.048 98 K CA 1.760 57.911 56.287 -0.226 0.000 0.930 98 K CB -0.957 31.494 32.500 -0.082 0.000 0.714 98 K HN 0.470 nan 8.250 nan 0.000 0.438 99 Q N 0.216 119.924 119.800 -0.153 0.000 2.135 99 Q HA -0.202 4.138 4.340 0.001 0.000 0.204 99 Q C 1.911 177.789 176.000 -0.203 0.000 0.981 99 Q CA 1.448 57.136 55.803 -0.192 0.000 0.856 99 Q CB 0.035 28.618 28.738 -0.258 0.000 0.902 99 Q HN 0.418 nan 8.270 nan 0.000 0.425 100 H N -1.036 117.997 119.070 -0.062 0.000 2.403 100 H HA -0.047 4.509 4.556 0.001 0.000 0.298 100 H C 2.143 177.404 175.328 -0.111 0.000 1.059 100 H CA 0.981 57.002 56.048 -0.045 0.000 1.363 100 H CB -0.450 29.330 29.762 0.030 0.000 1.410 100 H HN 0.368 nan 8.280 nan 0.000 0.528 101 c N 1.148 119.660 118.600 -0.147 0.000 2.449 101 c HA -0.051 4.520 4.570 0.001 0.000 0.283 101 c C 2.723 176.715 174.090 -0.164 0.000 1.453 101 c CA 0.865 57.035 56.329 -0.265 0.000 1.779 101 c CB -0.843 41.281 42.510 -0.642 0.000 1.779 101 c HN 0.554 nan 8.230 nan 0.000 0.546 102 Q N -0.640 119.094 119.800 -0.109 0.000 2.165 102 Q HA -0.080 4.261 4.340 0.001 0.000 0.197 102 Q C 2.065 178.076 176.000 0.018 0.000 0.952 102 Q CA 1.590 57.366 55.803 -0.046 0.000 0.848 102 Q CB -0.079 28.629 28.738 -0.049 0.000 0.931 102 Q HN 0.577 nan 8.270 nan 0.000 0.470 103 T N 0.390 114.960 114.554 0.027 0.000 2.833 103 T HA -0.097 4.254 4.350 0.001 0.000 0.269 103 T C 1.746 176.491 174.700 0.074 0.000 1.054 103 T CA 1.235 63.383 62.100 0.079 0.000 1.135 103 T CB -0.048 68.864 68.868 0.073 0.000 0.869 103 T HN 0.082 nan 8.240 nan 0.000 0.466 104 V N 0.846 120.766 119.914 0.009 0.000 2.453 104 V HA -0.090 4.030 4.120 0.001 0.000 0.247 104 V C 2.644 178.780 176.094 0.071 0.000 1.048 104 V CA 1.673 63.947 62.300 -0.044 0.000 1.049 104 V CB -0.478 31.228 31.823 -0.196 0.000 0.672 104 V HN 0.461 nan 8.190 nan 0.000 0.457 105 S N -0.657 115.094 115.700 0.085 0.000 2.387 105 S HA -0.164 4.306 4.470 0.001 0.000 0.226 105 S C 1.937 176.672 174.600 0.225 0.000 1.026 105 S CA 1.391 59.708 58.200 0.195 0.000 0.972 105 S CB -0.148 63.115 63.200 0.104 0.000 0.814 105 S HN 0.679 nan 8.310 nan 0.000 0.477 106 E N -0.543 119.760 120.200 0.172 0.000 2.085 106 E HA -0.162 4.188 4.350 0.001 0.000 0.194 106 E C 1.595 178.277 176.600 0.138 0.000 0.994 106 E CA 1.425 57.909 56.400 0.140 0.000 0.801 106 E CB -0.241 29.545 29.700 0.144 0.000 0.743 106 E HN 0.619 nan 8.360 nan 0.000 0.453 107 Y N -0.787 119.539 120.300 0.043 0.000 2.509 107 Y HA -0.146 4.405 4.550 0.001 0.000 0.293 107 Y C 1.814 177.738 175.900 0.041 0.000 1.133 107 Y CA 0.672 58.789 58.100 0.029 0.000 1.283 107 Y CB -0.095 38.383 38.460 0.029 0.000 1.001 107 Y HN 0.110 nan 8.280 nan 0.000 0.555 108 F N 0.636 120.609 119.950 0.039 0.000 2.149 108 F HA -0.149 4.378 4.527 0.001 0.000 0.294 108 F C 2.062 177.796 175.800 -0.111 0.000 1.095 108 F CA 1.458 59.397 58.000 -0.101 0.000 1.276 108 F CB -0.520 38.325 39.000 -0.258 0.000 1.023 108 F HN -0.018 nan 8.300 nan 0.000 0.480 109 Q N 0.450 120.107 119.800 -0.238 0.000 2.050 109 Q HA -0.258 4.083 4.340 0.001 0.000 0.202 109 Q C 2.268 178.101 176.000 -0.278 0.000 0.980 109 Q CA 2.018 57.631 55.803 -0.317 0.000 0.840 109 Q CB -0.455 28.211 28.738 -0.121 0.000 0.898 109 Q HN 0.424 nan 8.270 nan 0.000 0.424 110 K N 1.092 121.372 120.400 -0.200 0.000 2.152 110 K HA -0.193 4.127 4.320 0.001 0.000 0.206 110 K C 2.005 178.489 176.600 -0.192 0.000 1.048 110 K CA 1.243 57.407 56.287 -0.204 0.000 0.933 110 K CB 0.087 32.421 32.500 -0.278 0.000 0.721 110 K HN 0.087 nan 8.250 nan 0.000 0.447 111 R N 0.146 120.530 120.500 -0.194 0.000 2.073 111 R HA -0.076 4.264 4.340 0.001 0.000 0.229 111 R C 2.366 178.541 176.300 -0.208 0.000 1.120 111 R CA 1.475 57.480 56.100 -0.157 0.000 0.967 111 R CB -0.099 30.146 30.300 -0.093 0.000 0.862 111 R HN 0.102 nan 8.270 nan 0.000 0.436 112 K N 0.345 120.537 120.400 -0.347 0.000 2.186 112 K HA 0.051 4.371 4.320 0.001 0.000 0.202 112 K C 1.994 178.465 176.600 -0.216 0.000 1.052 112 K CA 0.767 56.864 56.287 -0.318 0.000 0.965 112 K CB 0.100 32.299 32.500 -0.502 0.000 0.746 112 K HN 0.126 nan 8.250 nan 0.000 0.457 113 A N 1.234 123.929 122.820 -0.209 0.000 1.940 113 A HA -0.154 4.167 4.320 0.001 0.000 0.219 113 A C 1.963 179.479 177.584 -0.114 0.000 1.176 113 A CA 1.386 53.336 52.037 -0.146 0.000 0.631 113 A CB -0.506 18.411 19.000 -0.137 0.000 0.814 113 A HN 0.302 nan 8.150 nan 0.000 0.446 114 I N -1.251 119.251 120.570 -0.114 0.000 2.406 114 I HA -0.134 4.037 4.170 0.001 0.000 0.249 114 I C 2.677 178.748 176.117 -0.077 0.000 1.122 114 I CA 1.273 62.521 61.300 -0.086 0.000 1.431 114 I CB -0.253 37.699 38.000 -0.080 0.000 1.087 114 I HN 0.363 nan 8.210 nan 0.000 0.424 115 S N 0.736 116.382 115.700 -0.090 0.000 2.442 115 S HA -0.126 4.344 4.470 0.001 0.000 0.236 115 S C 1.818 176.377 174.600 -0.067 0.000 1.007 115 S CA 1.112 59.267 58.200 -0.075 0.000 0.965 115 S CB -0.143 63.007 63.200 -0.084 0.000 0.773 115 S HN 0.350 nan 8.310 nan 0.000 0.504 116 I N 0.451 120.974 120.570 -0.078 0.000 3.941 116 I HA 0.420 4.590 4.170 0.001 0.000 0.321 116 I C 1.801 177.885 176.117 -0.055 0.000 1.284 116 I CA 0.394 61.655 61.300 -0.065 0.000 1.226 116 I CB -0.128 37.828 38.000 -0.074 0.000 1.045 116 I HN 0.242 nan 8.210 nan 0.000 0.420 117 A N 0.401 123.186 122.820 -0.057 0.000 1.861 117 A HA -0.138 4.182 4.320 0.001 0.000 0.212 117 A C 2.081 179.642 177.584 -0.039 0.000 1.199 117 A CA 1.140 53.148 52.037 -0.048 0.000 0.613 117 A CB -0.676 18.294 19.000 -0.052 0.000 0.846 117 A HN 0.578 nan 8.150 nan 0.000 0.446 118 Q N -0.641 119.135 119.800 -0.040 0.000 2.515 118 Q HA -0.120 4.221 4.340 0.001 0.000 0.212 118 Q C 1.637 177.620 176.000 -0.030 0.000 0.970 118 Q CA 1.360 57.143 55.803 -0.032 0.000 0.941 118 Q CB -0.175 28.544 28.738 -0.032 0.000 0.998 118 Q HN 0.637 nan 8.270 nan 0.000 0.518 119 Q N 1.408 121.188 119.800 -0.033 0.000 2.062 119 Q HA -0.018 4.322 4.340 0.001 0.000 0.196 119 Q C 1.871 177.856 176.000 -0.025 0.000 0.967 119 Q CA 1.467 57.252 55.803 -0.029 0.000 0.832 119 Q CB -0.039 28.678 28.738 -0.033 0.000 0.899 119 Q HN 0.561 nan 8.270 nan 0.000 0.442 120 I N 0.160 120.714 120.570 -0.027 0.000 2.163 120 I HA -0.310 3.860 4.170 0.001 0.000 0.243 120 I C 2.089 178.194 176.117 -0.019 0.000 1.085 120 I CA 1.183 62.469 61.300 -0.023 0.000 1.347 120 I CB -0.540 37.446 38.000 -0.024 0.000 1.044 120 I HN 0.236 nan 8.210 nan 0.000 0.408 121 I N 0.869 121.427 120.570 -0.020 0.000 2.087 121 I HA -0.346 3.824 4.170 0.001 0.000 0.240 121 I C 2.551 178.659 176.117 -0.015 0.000 1.054 121 I CA 1.891 63.181 61.300 -0.017 0.000 1.311 121 I CB -0.573 37.416 38.000 -0.018 0.000 1.024 121 I HN 0.282 nan 8.210 nan 0.000 0.402 122 E N 0.396 120.586 120.200 -0.016 0.000 2.150 122 E HA -0.161 4.189 4.350 0.001 0.000 0.193 122 E C 1.977 178.570 176.600 -0.012 0.000 0.985 122 E CA 0.675 57.067 56.400 -0.013 0.000 0.814 122 E CB -0.115 29.577 29.700 -0.014 0.000 0.752 122 E HN 0.454 nan 8.360 nan 0.000 0.466 123 N N 0.610 119.302 118.700 -0.014 0.000 2.039 123 N HA -0.134 4.606 4.740 0.001 0.000 0.193 123 N C 2.045 177.549 175.510 -0.010 0.000 1.044 123 N CA 1.134 54.177 53.050 -0.012 0.000 0.847 123 N CB -0.224 38.254 38.487 -0.014 0.000 1.030 123 N HN -0.003 nan 8.380 nan 0.000 0.422 124 V N 1.559 121.466 119.914 -0.011 0.000 2.380 124 V HA -0.207 3.913 4.120 0.001 0.000 0.251 124 V C 1.252 177.342 176.094 -0.007 0.000 1.063 124 V CA 0.937 63.231 62.300 -0.009 0.000 1.055 124 V CB -0.802 31.015 31.823 -0.009 0.000 0.657 124 V HN 0.344 nan 8.190 nan 0.000 0.455 133 K N 2.321 122.725 120.400 0.005 0.000 2.185 133 K HA 0.698 5.018 4.320 0.001 0.000 0.269 133 K C -1.927 174.675 176.600 0.003 0.000 0.987 133 K CA -0.854 55.436 56.287 0.006 0.000 0.865 133 K CB 0.705 33.211 32.500 0.010 0.000 1.090 133 K HN 0.764 nan 8.250 nan 0.000 0.450 134 P HA 0.104 nan 4.420 nan 0.000 0.263 134 P C 0.407 177.706 177.300 -0.001 0.000 1.386 134 P CA 0.172 63.272 63.100 -0.001 0.000 0.797 134 P CB -0.299 31.400 31.700 -0.002 0.000 1.381 135 I N 0.648 121.219 120.570 0.002 0.000 2.235 135 I HA -0.227 3.943 4.170 0.001 0.000 0.241 135 I C 2.678 178.793 176.117 -0.003 0.000 1.085 135 I CA 1.237 62.538 61.300 0.002 0.000 1.378 135 I CB -0.748 37.257 38.000 0.009 0.000 1.076 135 I HN 0.053 nan 8.210 nan 0.000 0.415 136 Q N 0.942 120.740 119.800 -0.003 0.000 2.364 136 Q HA -0.173 4.168 4.340 0.001 0.000 0.209 136 Q C 1.510 177.501 176.000 -0.014 0.000 0.977 136 Q CA 1.043 56.840 55.803 -0.009 0.000 0.885 136 Q CB -0.182 28.552 28.738 -0.007 0.000 0.941 136 Q HN 0.446 nan 8.270 nan 0.000 0.464 137 E N 1.842 122.035 120.200 -0.012 0.000 2.001 137 E HA -0.120 4.230 4.350 0.001 0.000 0.193 137 E C 2.177 178.766 176.600 -0.018 0.000 0.994 137 E CA 1.395 57.786 56.400 -0.015 0.000 0.815 137 E CB -0.712 28.980 29.700 -0.012 0.000 0.770 137 E HN 0.499 nan 8.360 nan 0.000 0.453 138 A N 1.256 124.067 122.820 -0.016 0.000 2.139 138 A HA -0.137 4.184 4.320 0.001 0.000 0.221 138 A C 2.499 180.070 177.584 -0.022 0.000 1.159 138 A CA 1.393 53.420 52.037 -0.017 0.000 0.662 138 A CB -0.493 18.500 19.000 -0.013 0.000 0.796 138 A HN 0.122 nan 8.150 nan 0.000 0.463 139 V N -1.409 118.490 119.914 -0.024 0.000 2.426 139 V HA -0.099 4.021 4.120 0.001 0.000 0.242 139 V C 2.692 178.762 176.094 -0.040 0.000 1.036 139 V CA 1.948 64.228 62.300 -0.034 0.000 1.044 139 V CB -0.420 31.383 31.823 -0.035 0.000 0.688 139 V HN 0.622 nan 8.190 nan 0.000 0.462 140 S N -0.240 115.439 115.700 -0.035 0.000 2.383 140 S HA -0.159 4.312 4.470 0.001 0.000 0.227 140 S C 1.776 176.355 174.600 -0.035 0.000 1.026 140 S CA 1.171 59.349 58.200 -0.036 0.000 0.981 140 S CB -0.238 62.944 63.200 -0.029 0.000 0.818 140 S HN 0.607 nan 8.310 nan 0.000 0.472 141 E N 0.620 120.801 120.200 -0.031 0.000 2.511 141 E HA 0.049 4.399 4.350 0.001 0.000 0.196 141 E C 1.547 178.126 176.600 -0.035 0.000 1.066 141 E CA 0.116 56.497 56.400 -0.033 0.000 0.871 141 E CB -0.077 29.606 29.700 -0.029 0.000 0.863 141 E HN 0.445 nan 8.360 nan 0.000 0.520 142 L N -0.262 120.940 121.223 -0.036 0.000 2.200 142 L HA 0.084 4.424 4.340 0.001 0.000 0.200 142 L C 2.208 179.055 176.870 -0.040 0.000 1.072 142 L CA 0.832 55.650 54.840 -0.036 0.000 0.787 142 L CB -0.183 41.856 42.059 -0.033 0.000 0.957 142 L HN -0.010 nan 8.230 nan 0.000 0.459 143 M N -0.256 119.315 119.600 -0.048 0.000 2.202 143 M HA -0.207 4.273 4.480 0.001 0.000 0.262 143 M C 1.942 178.216 176.300 -0.042 0.000 1.063 143 M CA 1.656 56.925 55.300 -0.052 0.000 1.097 143 M CB -0.140 32.422 32.600 -0.065 0.000 1.382 143 M HN 0.215 nan 8.290 nan 0.000 0.413 144 E N -0.338 119.838 120.200 -0.040 0.000 2.107 144 E HA -0.030 4.320 4.350 0.001 0.000 0.191 144 E C 1.777 178.349 176.600 -0.046 0.000 0.982 144 E CA 1.179 57.555 56.400 -0.040 0.000 0.809 144 E CB -0.203 29.473 29.700 -0.041 0.000 0.756 144 E HN 0.540 nan 8.360 nan 0.000 0.459 145 I N 0.984 121.526 120.570 -0.047 0.000 2.916 145 I HA -0.124 4.046 4.170 0.001 0.000 0.267 145 I C 0.640 176.731 176.117 -0.043 0.000 1.263 145 I CA 0.621 61.890 61.300 -0.051 0.000 1.471 145 I CB -0.190 37.782 38.000 -0.046 0.000 1.089 145 I HN 0.106 nan 8.210 nan 0.000 0.468 158 D N 3.367 123.775 120.400 0.013 0.000 2.097 158 D HA -0.035 4.605 4.640 0.001 0.000 0.325 158 D C 1.316 177.627 176.300 0.018 0.000 1.087 158 D CA 0.049 54.059 54.000 0.016 0.000 0.917 158 D CB 0.278 41.087 40.800 0.015 0.000 1.784 158 D HN 0.679 nan 8.370 nan 0.000 0.532 159 E N 2.009 122.217 120.200 0.014 0.000 2.048 159 E HA -0.129 4.221 4.350 0.001 0.000 0.202 159 E C 0.739 177.349 176.600 0.017 0.000 1.021 159 E CA 1.017 57.425 56.400 0.014 0.000 0.825 159 E CB -0.047 29.660 29.700 0.011 0.000 0.756 159 E HN 0.128 nan 8.360 nan 0.000 0.454 160 A N 0.793 123.623 122.820 0.016 0.000 3.168 160 A HA 0.327 4.648 4.320 0.001 0.000 0.260 160 A C 1.011 178.608 177.584 0.022 0.000 1.598 160 A CA -0.092 51.956 52.037 0.018 0.000 1.285 160 A CB -0.368 18.641 19.000 0.015 0.000 1.149 160 A HN 0.341 nan 8.150 nan 0.000 0.630 161 L N 0.509 121.749 121.223 0.029 0.000 3.617 161 L HA 0.064 4.405 4.340 0.001 0.000 0.336 161 L C 1.710 178.620 176.870 0.065 0.000 1.141 161 L CA 0.480 55.343 54.840 0.037 0.000 1.225 161 L CB 0.619 42.696 42.059 0.031 0.000 1.725 161 L HN 0.356 nan 8.230 nan 0.000 0.621 162 V N -3.037 116.915 119.914 0.062 0.000 2.515 162 V HA -0.144 3.976 4.120 0.001 0.000 0.250 162 V C 2.335 178.483 176.094 0.089 0.000 1.058 162 V CA 2.066 64.414 62.300 0.080 0.000 1.064 162 V CB -1.677 30.170 31.823 0.039 0.000 0.675 162 V HN 0.554 nan 8.190 nan 0.000 0.461 163 T N -1.285 113.306 114.554 0.062 0.000 2.857 163 T HA -0.094 4.256 4.350 0.001 0.000 0.266 163 T C 1.886 176.631 174.700 0.075 0.000 1.048 163 T CA 1.410 63.544 62.100 0.057 0.000 1.139 163 T CB -0.697 68.191 68.868 0.034 0.000 0.874 163 T HN 0.313 nan 8.240 nan 0.000 0.455 164 V N 0.746 120.699 119.914 0.065 0.000 2.370 164 V HA -0.233 3.887 4.120 0.001 0.000 0.252 164 V C 2.298 178.432 176.094 0.067 0.000 1.068 164 V CA 1.924 64.251 62.300 0.044 0.000 1.061 164 V CB -1.009 30.825 31.823 0.018 0.000 0.656 164 V HN 0.470 nan 8.190 nan 0.000 0.455 165 Y N 1.383 121.678 120.300 -0.009 0.000 2.070 165 Y HA -0.275 4.275 4.550 0.001 0.000 0.280 165 Y C 2.539 178.432 175.900 -0.011 0.000 1.148 165 Y CA 2.224 60.319 58.100 -0.009 0.000 1.125 165 Y CB -0.431 38.025 38.460 -0.007 0.000 0.975 165 Y HN 0.395 nan 8.280 nan 0.000 0.492 166 E N -0.617 119.737 120.200 0.257 0.000 2.333 166 E HA -0.198 4.152 4.350 0.001 0.000 0.198 166 E C 1.914 178.567 176.600 0.089 0.000 1.007 166 E CA 0.999 57.484 56.400 0.143 0.000 0.845 166 E CB -0.058 29.683 29.700 0.068 0.000 0.766 166 E HN 0.441 nan 8.360 nan 0.000 0.507 167 E N 0.532 120.773 120.200 0.068 0.000 2.028 167 E HA -0.153 4.197 4.350 0.001 0.000 0.191 167 E C 1.670 178.276 176.600 0.010 0.000 0.988 167 E CA 0.946 57.363 56.400 0.027 0.000 0.799 167 E CB 0.022 29.729 29.700 0.011 0.000 0.755 167 E HN 0.173 nan 8.360 nan 0.000 0.447 168 I N 0.706 121.276 120.570 0.001 0.000 2.315 168 I HA -0.175 3.996 4.170 0.001 0.000 0.248 168 I C 2.336 178.457 176.117 0.008 0.000 1.117 168 I CA 1.147 62.432 61.300 -0.026 0.000 1.404 168 I CB -0.287 37.668 38.000 -0.075 0.000 1.071 168 I HN 0.161 nan 8.210 nan 0.000 0.419 169 E N 0.608 120.847 120.200 0.065 0.000 2.110 169 E HA -0.176 4.174 4.350 0.001 0.000 0.193 169 E C 1.522 178.149 176.600 0.045 0.000 0.988 169 E CA 1.241 57.692 56.400 0.084 0.000 0.804 169 E CB 0.052 29.842 29.700 0.150 0.000 0.745 169 E HN 0.378 nan 8.360 nan 0.000 0.458 170 S N 0.871 116.593 115.700 0.037 0.000 2.906 170 S HA 0.218 4.688 4.470 0.001 0.000 0.234 170 S C 0.077 174.682 174.600 0.008 0.000 0.973 170 S CA 0.092 58.304 58.200 0.021 0.000 1.036 170 S CB 0.146 63.358 63.200 0.021 0.000 0.798 170 S HN 0.390 nan 8.310 nan 0.000 0.498 171 A N 1.197 124.017 122.820 0.001 0.000 2.520 171 A HA 0.208 4.528 4.320 0.001 0.000 0.245 171 A C 0.690 178.275 177.584 0.001 0.000 1.072 171 A CA -0.136 51.892 52.037 -0.014 0.000 0.761 171 A CB 0.169 19.154 19.000 -0.025 0.000 1.004 171 A HN 0.220 nan 8.150 nan 0.000 0.499 172 D N 0.759 121.164 120.400 0.008 0.000 2.716 172 D HA 0.313 4.954 4.640 0.001 0.000 0.273 172 D C 1.477 177.802 176.300 0.042 0.000 1.024 172 D CA 1.606 55.622 54.000 0.026 0.000 0.944 172 D CB 0.274 41.094 40.800 0.033 0.000 1.186 172 D HN 1.087 nan 8.370 nan 0.000 0.485 173 G N 0.111 108.951 108.800 0.067 0.000 2.184 173 G HA2 -0.201 3.760 3.960 0.001 0.000 0.206 173 G HA3 -0.201 3.760 3.960 0.001 0.000 0.206 173 G C 0.620 175.607 174.900 0.146 0.000 0.995 173 G CA 0.060 45.223 45.100 0.104 0.000 0.651 173 G HN 0.193 nan 8.290 nan 0.000 0.511 174 N N -0.547 118.234 118.700 0.134 0.000 3.254 174 N HA 0.668 5.408 4.740 0.001 0.000 0.344 174 N C -0.379 175.229 175.510 0.163 0.000 1.417 174 N CA -0.394 52.723 53.050 0.111 0.000 0.646 174 N CB 0.075 38.593 38.487 0.052 0.000 1.493 174 N HN 0.082 nan 8.380 nan 0.000 0.547 175 I N 0.821 121.438 120.570 0.078 0.000 2.315 175 I HA 0.218 4.389 4.170 0.001 0.000 0.291 175 I C 1.322 177.488 176.117 0.082 0.000 1.006 175 I CA 0.095 61.443 61.300 0.080 0.000 1.265 175 I CB 1.338 39.327 38.000 -0.017 0.000 1.387 175 I HN 0.410 nan 8.210 nan 0.000 0.475 176 T N 3.511 118.136 114.554 0.117 0.000 2.814 176 T HA 0.092 4.443 4.350 0.001 0.000 0.254 176 T C 1.134 175.863 174.700 0.048 0.000 1.037 176 T CA 0.958 63.100 62.100 0.070 0.000 1.143 176 T CB -0.189 68.716 68.868 0.061 0.000 0.866 176 T HN 0.745 nan 8.240 nan 0.000 0.431 177 G N 0.922 109.754 108.800 0.053 0.000 2.714 177 G HA2 0.448 4.408 3.960 0.001 0.000 0.197 177 G HA3 0.448 4.408 3.960 0.001 0.000 0.197 177 G C -0.618 174.286 174.900 0.008 0.000 1.449 177 G CA -0.490 44.634 45.100 0.039 0.000 1.065 177 G HN 0.242 nan 8.290 nan 0.000 0.575 178 V N 3.344 123.264 119.914 0.011 0.000 2.408 178 V HA 0.248 4.368 4.120 0.001 0.000 0.267 178 V C -1.716 174.302 176.094 -0.128 0.000 1.047 178 V CA -1.123 61.170 62.300 -0.012 0.000 0.937 178 V CB 1.063 32.926 31.823 0.067 0.000 0.999 178 V HN 0.483 nan 8.190 nan 0.000 0.472 179 P HA 0.117 nan 4.420 nan 0.000 0.271 179 P C 0.762 177.906 177.300 -0.260 0.000 1.216 179 P CA -0.075 62.897 63.100 -0.214 0.000 0.776 179 P CB 1.213 32.824 31.700 -0.148 0.000 0.881 180 S N 2.086 117.576 115.700 -0.349 0.000 2.395 180 S HA 0.096 4.566 4.470 0.001 0.000 0.225 180 S C 1.516 175.880 174.600 -0.394 0.000 1.027 180 S CA 1.013 59.056 58.200 -0.262 0.000 0.965 180 S CB -1.137 61.991 63.200 -0.120 0.000 0.812 180 S HN 0.747 nan 8.310 nan 0.000 0.482 181 G N 0.032 108.581 108.800 -0.418 0.000 2.168 181 G HA2 -0.121 3.839 3.960 0.001 0.000 0.197 181 G HA3 -0.121 3.839 3.960 0.001 0.000 0.197 181 G C -0.282 174.187 174.900 -0.718 0.000 0.997 181 G CA -0.197 44.557 45.100 -0.577 0.000 0.658 181 G HN 0.466 nan 8.290 nan 0.000 0.513 182 F N 1.926 121.851 119.950 -0.042 0.000 2.430 182 F HA 0.439 4.966 4.527 0.001 0.000 0.362 182 F C 1.712 177.498 175.800 -0.024 0.000 1.103 182 F CA -0.224 57.777 58.000 0.003 0.000 1.045 182 F CB 1.173 40.203 39.000 0.049 0.000 1.276 182 F HN 0.118 nan 8.300 nan 0.000 0.444 183 T N -1.807 112.815 114.554 0.113 0.000 2.680 183 T HA -0.251 4.099 4.350 0.001 0.000 0.268 183 T C 1.462 176.179 174.700 0.029 0.000 1.033 183 T CA 1.772 63.894 62.100 0.036 0.000 1.152 183 T CB -0.048 68.839 68.868 0.032 0.000 0.859 183 T HN 0.417 nan 8.240 nan 0.000 0.452 184 E N 0.390 120.636 120.200 0.077 0.000 2.358 184 E HA 0.126 4.476 4.350 0.001 0.000 0.195 184 E C 1.918 178.542 176.600 0.040 0.000 1.010 184 E CA 0.266 56.695 56.400 0.048 0.000 0.856 184 E CB -0.084 29.653 29.700 0.060 0.000 0.795 184 E HN 0.463 nan 8.360 nan 0.000 0.504 185 L N 0.937 122.204 121.223 0.075 0.000 2.221 185 L HA 0.037 4.377 4.340 0.001 0.000 0.202 185 L C 1.299 178.153 176.870 -0.027 0.000 1.074 185 L CA 1.493 56.370 54.840 0.063 0.000 0.795 185 L CB -0.103 42.052 42.059 0.160 0.000 0.960 185 L HN -0.191 nan 8.230 nan 0.000 0.458 186 D N -0.165 120.186 120.400 -0.082 0.000 2.310 186 D HA -0.133 4.507 4.640 0.001 0.000 0.212 186 D C 1.695 177.781 176.300 -0.355 0.000 0.965 186 D CA 0.592 54.469 54.000 -0.204 0.000 0.879 186 D CB -0.118 40.562 40.800 -0.199 0.000 0.921 186 D HN 0.279 nan 8.370 nan 0.000 0.510 187 R N -0.229 120.108 120.500 -0.272 0.000 2.346 187 R HA 0.160 4.500 4.340 0.001 0.000 0.225 187 R C 1.186 177.336 176.300 -0.249 0.000 0.987 187 R CA 0.141 56.027 56.100 -0.357 0.000 1.106 187 R CB 0.076 30.280 30.300 -0.159 0.000 1.090 187 R HN 0.167 nan 8.270 nan 0.000 0.502 188 M N -3.114 116.393 119.600 -0.155 0.000 2.195 188 M HA 0.022 4.502 4.480 0.001 0.000 0.243 188 M C 1.694 178.142 176.300 0.248 0.000 1.313 188 M CA 0.494 55.840 55.300 0.077 0.000 1.077 188 M CB 1.004 33.672 32.600 0.114 0.000 1.664 188 M HN 0.071 nan 8.290 nan 0.000 0.584 189 T N -2.899 111.763 114.554 0.180 0.000 3.039 189 T HA 0.069 4.420 4.350 0.001 0.000 0.250 189 T C 0.340 175.230 174.700 0.318 0.000 1.052 189 T CA 0.379 62.674 62.100 0.325 0.000 1.125 189 T CB -0.187 68.744 68.868 0.106 0.000 0.908 189 T HN 0.329 nan 8.240 nan 0.000 0.473 190 Y N 1.681 121.984 120.300 0.006 0.000 3.477 190 Y HA 0.066 4.616 4.550 0.001 0.000 0.216 190 Y C 0.929 176.800 175.900 -0.048 0.000 1.296 190 Y CA 0.910 58.998 58.100 -0.019 0.000 1.535 190 Y CB -1.960 36.502 38.460 0.002 0.000 1.482 190 Y HN 0.979 nan 8.280 nan 0.000 0.597 191 G N -0.805 107.956 108.800 -0.066 0.000 3.295 191 G HA2 -0.252 3.708 3.960 0.001 0.000 0.686 191 G HA3 -0.252 3.708 3.960 0.001 0.000 0.686 191 G C -0.376 174.489 174.900 -0.059 0.000 0.958 191 G CA -0.622 44.393 45.100 -0.143 0.000 0.787 191 G HN 0.522 nan 8.290 nan 0.000 0.523 192 Y N 2.700 123.017 120.300 0.027 0.000 2.881 192 Y HA 0.033 4.584 4.550 0.001 0.000 0.335 192 Y C 1.857 177.773 175.900 0.028 0.000 1.263 192 Y CA -0.021 58.088 58.100 0.015 0.000 1.572 192 Y CB 0.442 38.894 38.460 -0.014 0.000 1.237 192 Y HN 0.460 nan 8.280 nan 0.000 0.568 193 K N 2.729 123.242 120.400 0.189 0.000 2.633 193 K HA 0.074 4.394 4.320 0.001 0.000 0.283 193 K C 1.148 177.804 176.600 0.092 0.000 1.081 193 K CA 0.091 56.449 56.287 0.117 0.000 0.923 193 K CB 0.120 32.682 32.500 0.103 0.000 1.110 193 K HN 0.694 nan 8.250 nan 0.000 0.480 194 R N 0.307 120.843 120.500 0.060 0.000 2.195 194 R HA 0.004 4.344 4.340 0.001 0.000 0.197 194 R C 1.911 178.222 176.300 0.019 0.000 0.990 194 R CA 0.552 56.673 56.100 0.035 0.000 1.048 194 R CB 0.202 30.515 30.300 0.021 0.000 0.997 194 R HN 0.414 nan 8.270 nan 0.000 0.502 195 R N -0.222 120.294 120.500 0.028 0.000 2.362 195 R HA 0.164 4.505 4.340 0.001 0.000 0.227 195 R C 0.044 176.368 176.300 0.040 0.000 0.905 195 R CA 0.053 56.163 56.100 0.016 0.000 1.067 195 R CB -0.418 29.891 30.300 0.016 0.000 1.078 195 R HN 0.006 nan 8.270 nan 0.000 0.516 196 N N 0.539 119.275 118.700 0.060 0.000 2.453 196 N HA 0.034 4.774 4.740 0.001 0.000 0.253 196 N C -1.399 174.180 175.510 0.115 0.000 1.252 196 N CA -0.067 53.029 53.050 0.077 0.000 0.917 196 N CB 0.380 38.908 38.487 0.067 0.000 1.117 196 N HN 0.083 nan 8.380 nan 0.000 0.442 197 F N 2.830 122.736 119.950 -0.074 0.000 2.676 197 F HA 0.274 4.801 4.527 0.001 0.000 0.371 197 F C -0.388 175.336 175.800 -0.127 0.000 1.141 197 F CA -0.995 56.946 58.000 -0.099 0.000 1.133 197 F CB 0.104 39.060 39.000 -0.073 0.000 1.376 197 F HN 0.136 nan 8.300 nan 0.000 0.491 198 V N 4.150 123.788 119.914 -0.461 0.000 2.785 198 V HA 0.658 4.778 4.120 0.001 0.000 0.300 198 V C -1.319 174.363 176.094 -0.688 0.000 1.062 198 V CA -0.588 61.379 62.300 -0.554 0.000 1.029 198 V CB 1.698 33.183 31.823 -0.563 0.000 1.024 198 V HN 0.685 nan 8.190 nan 0.000 0.477 199 L N 4.776 125.669 121.223 -0.550 0.000 2.372 199 L HA 0.593 4.933 4.340 0.001 0.000 0.274 199 L C -0.460 176.231 176.870 -0.298 0.000 0.988 199 L CA -0.147 54.420 54.840 -0.453 0.000 0.833 199 L CB 1.421 43.211 42.059 -0.448 0.000 1.236 199 L HN 0.714 nan 8.230 nan 0.000 0.410 200 I N 5.445 125.907 120.570 -0.179 0.000 2.316 200 I HA 0.477 4.648 4.170 0.001 0.000 0.286 200 I C 0.242 176.345 176.117 -0.024 0.000 1.107 200 I CA -0.221 61.037 61.300 -0.069 0.000 1.219 200 I CB 0.691 38.726 38.000 0.058 0.000 1.455 200 I HN 0.678 nan 8.210 nan 0.000 0.498 201 A N 5.032 127.851 122.820 -0.002 0.000 2.320 201 A HA 0.994 5.314 4.320 0.001 0.000 0.334 201 A C -0.210 177.490 177.584 0.193 0.000 1.147 201 A CA -0.274 51.830 52.037 0.113 0.000 0.820 201 A CB 1.527 20.654 19.000 0.211 0.000 1.218 201 A HN 0.773 nan 8.150 nan 0.000 0.482 202 A N 1.059 123.938 122.820 0.099 0.000 2.522 202 A HA 0.641 4.962 4.320 0.001 0.000 0.291 202 A C -0.836 176.754 177.584 0.009 0.000 1.039 202 A CA -0.865 51.208 52.037 0.059 0.000 0.643 202 A CB 0.556 19.571 19.000 0.025 0.000 1.310 202 A HN 0.717 nan 8.150 nan 0.000 0.436 203 R N -0.014 120.489 120.500 0.005 0.000 2.679 203 R HA 0.443 4.784 4.340 0.001 0.000 0.269 203 R C -2.516 173.742 176.300 -0.071 0.000 1.076 203 R CA -1.623 54.472 56.100 -0.008 0.000 1.160 203 R CB -0.657 29.677 30.300 0.058 0.000 1.054 203 R HN 0.473 nan 8.270 nan 0.000 0.507 204 P HA 0.016 nan 4.420 nan 0.000 0.267 204 P C -0.496 176.643 177.300 -0.269 0.000 1.200 204 P CA 0.325 63.371 63.100 -0.090 0.000 0.772 204 P CB 0.478 32.162 31.700 -0.027 0.000 0.855 205 S N 0.992 116.555 115.700 -0.228 0.000 3.791 205 S HA -0.113 4.357 4.470 0.001 0.000 0.393 205 S C 0.516 174.832 174.600 -0.474 0.000 0.936 205 S CA 0.576 58.578 58.200 -0.331 0.000 1.234 205 S CB -1.461 61.494 63.200 -0.409 0.000 0.891 205 S HN 0.519 nan 8.310 nan 0.000 0.519 206 M N -1.204 118.199 119.600 -0.330 0.000 2.231 206 M HA 0.263 4.743 4.480 0.001 0.000 0.347 206 M C 1.465 177.537 176.300 -0.380 0.000 0.901 206 M CA 1.126 56.213 55.300 -0.355 0.000 1.064 206 M CB 0.295 32.742 32.600 -0.255 0.000 1.861 206 M HN 0.928 nan 8.290 nan 0.000 0.638 207 G N 1.785 110.421 108.800 -0.274 0.000 2.144 207 G HA2 -0.261 3.700 3.960 0.001 0.000 0.218 207 G HA3 -0.261 3.700 3.960 0.001 0.000 0.218 207 G C 0.940 175.883 174.900 0.073 0.000 0.988 207 G CA 0.752 45.750 45.100 -0.170 0.000 0.659 207 G HN 0.423 nan 8.290 nan 0.000 0.522 208 K N -0.072 120.340 120.400 0.019 0.000 2.144 208 K HA -0.194 4.127 4.320 0.001 0.000 0.209 208 K C 2.367 179.068 176.600 0.168 0.000 1.047 208 K CA 2.441 58.778 56.287 0.083 0.000 0.927 208 K CB -0.237 32.300 32.500 0.061 0.000 0.716 208 K HN 0.453 nan 8.250 nan 0.000 0.454 209 T N -0.146 114.505 114.554 0.161 0.000 2.852 209 T HA 0.065 4.415 4.350 0.001 0.000 0.256 209 T C 1.875 176.701 174.700 0.210 0.000 1.038 209 T CA 0.860 63.061 62.100 0.168 0.000 1.141 209 T CB -0.148 68.801 68.868 0.135 0.000 0.869 209 T HN 0.356 nan 8.240 nan 0.000 0.439 210 A N 1.093 124.086 122.820 0.290 0.000 1.969 210 A HA 0.024 4.345 4.320 0.001 0.000 0.218 210 A C 1.952 179.838 177.584 0.503 0.000 1.169 210 A CA 1.039 53.326 52.037 0.417 0.000 0.635 210 A CB -0.928 18.410 19.000 0.563 0.000 0.810 210 A HN 0.460 nan 8.150 nan 0.000 0.445 211 F N 0.886 120.964 119.950 0.213 0.000 2.234 211 F HA 0.017 4.545 4.527 0.001 0.000 0.299 211 F C 2.357 178.117 175.800 -0.067 0.000 1.087 211 F CA 0.846 58.690 58.000 -0.260 0.000 1.340 211 F CB -0.301 38.447 39.000 -0.420 0.000 1.031 211 F HN 0.241 nan 8.300 nan 0.000 0.500 212 A N 0.426 123.249 122.820 0.005 0.000 1.872 212 A HA -0.052 4.269 4.320 0.001 0.000 0.214 212 A C 2.197 179.757 177.584 -0.040 0.000 1.187 212 A CA 1.394 53.394 52.037 -0.061 0.000 0.614 212 A CB -1.133 17.898 19.000 0.051 0.000 0.826 212 A HN 0.413 nan 8.150 nan 0.000 0.442 213 L N -0.785 120.467 121.223 0.048 0.000 2.353 213 L HA -0.146 4.194 4.340 0.001 0.000 0.220 213 L C 2.439 179.336 176.870 0.045 0.000 1.133 213 L CA 1.321 56.196 54.840 0.058 0.000 0.798 213 L CB -0.247 41.872 42.059 0.100 0.000 0.922 213 L HN 0.322 nan 8.230 nan 0.000 0.445 214 K N 0.385 120.809 120.400 0.039 0.000 2.005 214 K HA -0.107 4.213 4.320 0.001 0.000 0.206 214 K C 2.050 178.581 176.600 -0.115 0.000 1.044 214 K CA 1.369 57.674 56.287 0.030 0.000 0.942 214 K CB -0.137 32.461 32.500 0.162 0.000 0.727 214 K HN 0.194 nan 8.250 nan 0.000 0.439 215 Q N -0.119 119.554 119.800 -0.213 0.000 2.234 215 Q HA -0.123 4.217 4.340 0.001 0.000 0.206 215 Q C 1.976 177.908 176.000 -0.112 0.000 0.980 215 Q CA 1.300 56.974 55.803 -0.215 0.000 0.869 215 Q CB -0.244 28.366 28.738 -0.213 0.000 0.912 215 Q HN 0.409 nan 8.270 nan 0.000 0.436 216 A N 1.827 124.603 122.820 -0.074 0.000 1.865 216 A HA -0.262 4.058 4.320 0.001 0.000 0.217 216 A C 2.055 179.618 177.584 -0.035 0.000 1.191 216 A CA 1.825 53.843 52.037 -0.031 0.000 0.623 216 A CB -0.452 18.544 19.000 -0.007 0.000 0.826 216 A HN 0.223 nan 8.150 nan 0.000 0.444 217 K N -0.906 119.470 120.400 -0.040 0.000 2.031 217 K HA -0.136 4.184 4.320 0.001 0.000 0.205 217 K C 1.796 178.358 176.600 -0.063 0.000 1.049 217 K CA 1.143 57.406 56.287 -0.039 0.000 0.939 217 K CB -0.247 32.238 32.500 -0.026 0.000 0.717 217 K HN 0.386 nan 8.250 nan 0.000 0.438 218 N N 0.916 119.554 118.700 -0.104 0.000 2.184 218 N HA -0.199 4.542 4.740 0.001 0.000 0.190 218 N C 1.697 177.144 175.510 -0.106 0.000 1.011 218 N CA 1.628 54.594 53.050 -0.139 0.000 0.867 218 N CB -0.138 38.197 38.487 -0.254 0.000 0.993 218 N HN 0.344 nan 8.380 nan 0.000 0.433 219 M N -0.810 118.742 119.600 -0.081 0.000 2.288 219 M HA -0.003 4.477 4.480 0.001 0.000 0.266 219 M C 2.122 178.402 176.300 -0.033 0.000 1.072 219 M CA 0.718 55.989 55.300 -0.048 0.000 1.132 219 M CB -0.071 32.518 32.600 -0.018 0.000 1.386 219 M HN -0.044 nan 8.290 nan 0.000 0.432 220 S N 0.078 115.759 115.700 -0.032 0.000 2.515 220 S HA -0.101 4.369 4.470 0.001 0.000 0.231 220 S C 1.087 175.671 174.600 -0.027 0.000 0.987 220 S CA 1.021 59.207 58.200 -0.024 0.000 0.936 220 S CB -0.201 62.986 63.200 -0.021 0.000 0.766 220 S HN 0.344 nan 8.310 nan 0.000 0.528 221 D N 1.053 121.430 120.400 -0.038 0.000 2.240 221 D HA 0.067 4.707 4.640 0.001 0.000 0.206 221 D C 1.411 177.690 176.300 -0.035 0.000 0.963 221 D CA 0.403 54.381 54.000 -0.037 0.000 0.863 221 D CB -0.427 40.345 40.800 -0.046 0.000 0.973 221 D HN 0.326 nan 8.370 nan 0.000 0.501 222 N N 1.472 120.147 118.700 -0.041 0.000 2.485 222 N HA -0.112 4.628 4.740 0.001 0.000 0.199 222 N C -0.500 174.996 175.510 -0.023 0.000 1.236 222 N CA 0.353 53.382 53.050 -0.035 0.000 0.852 222 N CB 0.022 38.482 38.487 -0.045 0.000 1.018 222 N HN 0.018 nan 8.380 nan 0.000 0.457 223 D N 1.176 121.565 120.400 -0.020 0.000 2.737 223 D HA -0.172 4.469 4.640 0.001 0.000 0.238 223 D C -1.254 175.042 176.300 -0.008 0.000 1.157 223 D CA 0.942 54.934 54.000 -0.013 0.000 0.694 223 D CB -0.770 40.023 40.800 -0.010 0.000 1.021 223 D HN 0.391 nan 8.370 nan 0.000 0.420 224 D N -0.731 119.665 120.400 -0.007 0.000 2.523 224 D HA 0.446 5.087 4.640 0.001 0.000 0.236 224 D C 0.090 176.393 176.300 0.005 0.000 1.094 224 D CA -0.525 53.476 54.000 0.001 0.000 0.942 224 D CB 2.055 42.858 40.800 0.004 0.000 1.447 224 D HN -0.097 nan 8.370 nan 0.000 0.479 225 V N 1.217 121.139 119.914 0.014 0.000 2.407 225 V HA 0.303 4.423 4.120 0.001 0.000 0.278 225 V C 0.055 176.168 176.094 0.033 0.000 1.037 225 V CA -0.637 61.675 62.300 0.021 0.000 0.900 225 V CB 1.546 33.385 31.823 0.027 0.000 0.983 225 V HN 0.250 nan 8.190 nan 0.000 0.459 226 V N 4.806 124.739 119.914 0.032 0.000 2.334 226 V HA 0.378 4.498 4.120 0.001 0.000 0.281 226 V C -0.077 176.061 176.094 0.075 0.000 1.016 226 V CA -0.718 61.610 62.300 0.047 0.000 0.832 226 V CB 1.521 33.361 31.823 0.027 0.000 0.999 226 V HN 0.837 nan 8.190 nan 0.000 0.439 227 N N 4.167 122.949 118.700 0.135 0.000 2.469 227 N HA 0.341 5.082 4.740 0.001 0.000 0.239 227 N C -0.677 174.993 175.510 0.267 0.000 1.053 227 N CA -0.320 52.873 53.050 0.238 0.000 0.937 227 N CB 1.176 39.883 38.487 0.367 0.000 1.163 227 N HN 0.563 nan 8.380 nan 0.000 0.509 228 L N 3.963 125.284 121.223 0.162 0.000 2.261 228 L HA 0.273 4.613 4.340 0.001 0.000 0.289 228 L C -0.664 176.305 176.870 0.165 0.000 1.059 228 L CA -0.486 54.447 54.840 0.155 0.000 0.816 228 L CB -0.077 42.023 42.059 0.068 0.000 1.191 228 L HN 0.502 nan 8.230 nan 0.000 0.431 229 H N 2.623 121.815 119.070 0.204 0.000 2.818 229 H HA 0.347 4.903 4.556 0.001 0.000 0.269 229 H C 0.001 175.422 175.328 0.155 0.000 1.277 229 H CA -0.048 56.135 56.048 0.224 0.000 1.290 229 H CB 0.377 30.254 29.762 0.191 0.000 1.479 229 H HN 0.618 nan 8.280 nan 0.000 0.507 230 S N 3.156 118.964 115.700 0.180 0.000 2.409 230 S HA 0.134 4.605 4.470 0.001 0.000 0.308 230 S C 0.584 175.241 174.600 0.094 0.000 1.080 230 S CA -0.756 57.514 58.200 0.117 0.000 1.081 230 S CB 0.230 63.469 63.200 0.066 0.000 1.009 230 S HN 0.424 nan 8.310 nan 0.000 0.502 231 L N 2.410 123.688 121.223 0.091 0.000 2.446 231 L HA 0.360 4.700 4.340 0.001 0.000 0.219 231 L C 2.393 179.251 176.870 -0.021 0.000 1.116 231 L CA 0.825 55.698 54.840 0.054 0.000 0.844 231 L CB -0.608 41.501 42.059 0.083 0.000 0.970 231 L HN 0.733 nan 8.230 nan 0.000 0.457 232 E N -0.199 119.954 120.200 -0.078 0.000 2.127 232 E HA 0.103 4.453 4.350 0.001 0.000 0.191 232 E C 1.040 177.581 176.600 -0.099 0.000 0.964 232 E CA 0.310 56.607 56.400 -0.173 0.000 0.832 232 E CB 0.341 29.810 29.700 -0.385 0.000 0.790 232 E HN 0.327 nan 8.360 nan 0.000 0.465 233 M N -0.192 119.374 119.600 -0.056 0.000 2.705 233 M HA 0.422 4.902 4.480 0.001 0.000 0.272 233 M C 0.617 176.910 176.300 -0.011 0.000 1.172 233 M CA -0.596 54.686 55.300 -0.030 0.000 0.901 233 M CB 1.222 33.813 32.600 -0.015 0.000 1.516 233 M HN -0.024 nan 8.290 nan 0.000 0.530 234 G N -0.209 108.586 108.800 -0.007 0.000 2.461 234 G HA2 0.310 4.270 3.960 0.001 0.000 0.329 234 G HA3 0.310 4.270 3.960 0.001 0.000 0.329 234 G C 0.161 175.059 174.900 -0.004 0.000 1.170 234 G CA -0.483 44.615 45.100 -0.004 0.000 0.935 234 G HN 0.821 nan 8.290 nan 0.000 0.492 235 K N -0.034 120.361 120.400 -0.009 0.000 2.281 235 K HA -0.110 4.210 4.320 0.001 0.000 0.203 235 K C 2.067 178.654 176.600 -0.021 0.000 1.046 235 K CA 1.281 57.553 56.287 -0.024 0.000 0.938 235 K CB -0.052 32.427 32.500 -0.036 0.000 0.737 235 K HN 0.479 nan 8.250 nan 0.000 0.458 236 K N 0.148 120.540 120.400 -0.013 0.000 1.995 236 K HA -0.093 4.227 4.320 0.001 0.000 0.207 236 K C 1.966 178.562 176.600 -0.006 0.000 1.041 236 K CA 1.328 57.609 56.287 -0.011 0.000 0.942 236 K CB -0.059 32.435 32.500 -0.009 0.000 0.731 236 K HN -0.006 nan 8.250 nan 0.000 0.439 237 E N 1.216 121.414 120.200 -0.003 0.000 2.130 237 E HA -0.171 4.179 4.350 0.001 0.000 0.196 237 E C 1.534 178.141 176.600 0.011 0.000 0.998 237 E CA 1.297 57.699 56.400 0.004 0.000 0.806 237 E CB -0.329 29.373 29.700 0.004 0.000 0.738 237 E HN 0.296 nan 8.360 nan 0.000 0.459 238 N N -0.253 118.453 118.700 0.010 0.000 2.166 238 N HA -0.131 4.609 4.740 0.001 0.000 0.186 238 N C 1.692 177.209 175.510 0.012 0.000 1.019 238 N CA 1.010 54.070 53.050 0.016 0.000 0.856 238 N CB -0.102 38.392 38.487 0.011 0.000 0.993 238 N HN 0.157 nan 8.380 nan 0.000 0.426 239 I N 1.082 121.652 120.570 -0.001 0.000 2.233 239 I HA -0.198 3.972 4.170 0.001 0.000 0.243 239 I C 2.415 178.532 176.117 0.001 0.000 1.093 239 I CA 0.840 62.137 61.300 -0.005 0.000 1.380 239 I CB -0.213 37.779 38.000 -0.014 0.000 1.067 239 I HN 0.051 nan 8.210 nan 0.000 0.413 240 K N 1.294 121.695 120.400 0.000 0.000 2.160 240 K HA -0.203 4.117 4.320 0.001 0.000 0.206 240 K C 2.235 178.841 176.600 0.010 0.000 1.047 240 K CA 1.533 57.820 56.287 -0.000 0.000 0.930 240 K CB 0.045 32.544 32.500 -0.002 0.000 0.720 240 K HN 0.261 nan 8.250 nan 0.000 0.450 241 R N -0.104 120.410 120.500 0.024 0.000 2.100 241 R HA 0.061 4.401 4.340 0.001 0.000 0.220 241 R C 2.305 178.635 176.300 0.049 0.000 1.091 241 R CA 0.677 56.805 56.100 0.046 0.000 0.986 241 R CB -0.110 30.229 30.300 0.065 0.000 0.888 241 R HN 0.152 nan 8.270 nan 0.000 0.444 242 L N 0.549 121.793 121.223 0.036 0.000 2.191 242 L HA -0.152 4.188 4.340 0.001 0.000 0.212 242 L C 2.069 178.949 176.870 0.017 0.000 1.103 242 L CA 1.141 55.999 54.840 0.030 0.000 0.769 242 L CB -0.218 41.850 42.059 0.015 0.000 0.908 242 L HN 0.216 nan 8.230 nan 0.000 0.438 243 I N -1.474 119.100 120.570 0.006 0.000 2.296 243 I HA -0.175 3.995 4.170 0.001 0.000 0.242 243 I C 2.264 178.371 176.117 -0.017 0.000 1.087 243 I CA 0.599 61.892 61.300 -0.011 0.000 1.393 243 I CB -0.163 37.825 38.000 -0.021 0.000 1.093 243 I HN -0.089 nan 8.210 nan 0.000 0.421 244 V N 0.740 120.651 119.914 -0.004 0.000 2.828 244 V HA -0.229 3.891 4.120 0.001 0.000 0.260 244 V C 2.194 178.305 176.094 0.028 0.000 1.101 244 V CA 2.057 64.360 62.300 0.004 0.000 1.123 244 V CB -0.995 30.846 31.823 0.030 0.000 0.704 244 V HN 0.489 nan 8.190 nan 0.000 0.493 245 T N -0.479 114.100 114.554 0.042 0.000 3.039 245 T HA 0.174 4.525 4.350 0.001 0.000 0.250 245 T C 2.007 176.725 174.700 0.029 0.000 1.052 245 T CA 0.991 63.133 62.100 0.071 0.000 1.125 245 T CB 0.107 69.041 68.868 0.111 0.000 0.908 245 T HN 0.525 nan 8.240 nan 0.000 0.473 246 A N 1.335 124.157 122.820 0.003 0.000 1.874 246 A HA 0.334 4.654 4.320 0.001 0.000 0.214 246 A C 2.413 179.970 177.584 -0.045 0.000 1.189 246 A CA 1.380 53.409 52.037 -0.013 0.000 0.615 246 A CB -0.992 18.001 19.000 -0.012 0.000 0.830 246 A HN 0.470 nan 8.150 nan 0.000 0.443 247 G N -1.976 106.782 108.800 -0.070 0.000 2.880 247 G HA2 0.283 4.243 3.960 0.001 0.000 0.209 247 G HA3 0.283 4.243 3.960 0.001 0.000 0.209 247 G C 0.667 175.458 174.900 -0.182 0.000 1.157 247 G CA 0.975 46.014 45.100 -0.102 0.000 0.779 247 G HN 0.678 nan 8.290 nan 0.000 0.539 248 S N -0.981 114.577 115.700 -0.236 0.000 3.382 248 S HA -0.223 4.247 4.470 0.001 0.000 0.293 248 S C 0.761 174.888 174.600 -0.789 0.000 1.262 248 S CA 0.773 58.654 58.200 -0.533 0.000 0.969 248 S CB -2.244 60.675 63.200 -0.468 0.000 1.136 248 S HN 1.016 nan 8.310 nan 0.000 0.635 249 I N -0.135 120.206 120.570 -0.382 0.000 2.779 249 I HA 0.354 4.524 4.170 0.001 0.000 0.285 249 I C 0.585 176.641 176.117 -0.101 0.000 1.134 249 I CA -0.391 60.757 61.300 -0.255 0.000 1.398 249 I CB 0.472 38.377 38.000 -0.158 0.000 1.404 249 I HN 0.096 nan 8.210 nan 0.000 0.587 250 N N 3.609 122.338 118.700 0.048 0.000 2.497 250 N HA 0.107 4.848 4.740 0.001 0.000 0.268 250 N C 0.751 176.325 175.510 0.106 0.000 1.171 250 N CA 0.620 53.807 53.050 0.229 0.000 0.948 250 N CB 1.692 40.288 38.487 0.182 0.000 1.069 250 N HN 0.872 nan 8.380 nan 0.000 0.460 251 A N 3.723 126.607 122.820 0.107 0.000 1.933 251 A HA -0.181 4.140 4.320 0.001 0.000 0.218 251 A C 1.944 179.528 177.584 0.001 0.000 1.175 251 A CA 1.363 53.423 52.037 0.039 0.000 0.628 251 A CB -0.388 18.627 19.000 0.025 0.000 0.814 251 A HN 0.868 nan 8.150 nan 0.000 0.444 252 Q N -0.418 119.378 119.800 -0.006 0.000 2.187 252 Q HA -0.109 4.231 4.340 0.001 0.000 0.199 252 Q C 1.877 177.840 176.000 -0.060 0.000 0.957 252 Q CA 1.163 56.942 55.803 -0.039 0.000 0.857 252 Q CB -0.054 28.656 28.738 -0.046 0.000 0.929 252 Q HN 0.668 nan 8.270 nan 0.000 0.453 253 K N 0.790 121.178 120.400 -0.020 0.000 1.971 253 K HA -0.211 4.109 4.320 0.001 0.000 0.221 253 K C 2.159 178.728 176.600 -0.052 0.000 1.050 253 K CA 1.802 58.086 56.287 -0.006 0.000 0.967 253 K CB -0.567 31.963 32.500 0.050 0.000 0.733 253 K HN 0.313 nan 8.250 nan 0.000 0.445 254 I N 1.234 121.765 120.570 -0.065 0.000 2.065 254 I HA -0.444 3.727 4.170 0.001 0.000 0.236 254 I C 2.114 178.189 176.117 -0.070 0.000 1.028 254 I CA 1.943 63.188 61.300 -0.091 0.000 1.299 254 I CB -0.255 37.688 38.000 -0.094 0.000 1.015 254 I HN 0.187 nan 8.210 nan 0.000 0.396 255 K N 0.520 120.886 120.400 -0.058 0.000 2.108 255 K HA -0.353 3.967 4.320 0.001 0.000 0.217 255 K C 1.499 178.069 176.600 -0.050 0.000 0.846 255 K CA 3.440 59.697 56.287 -0.051 0.000 1.014 255 K CB -1.019 31.448 32.500 -0.055 0.000 0.896 255 K HN 0.708 nan 8.250 nan 0.000 0.552 256 A N -2.468 120.312 122.820 -0.067 0.000 1.964 256 A HA 0.520 4.840 4.320 0.001 0.000 0.198 256 A C 2.042 179.592 177.584 -0.056 0.000 1.599 256 A CA 0.897 52.901 52.037 -0.056 0.000 0.968 256 A CB -0.720 18.242 19.000 -0.063 0.000 1.029 256 A HN 0.443 nan 8.150 nan 0.000 0.508 257 A N 0.278 123.030 122.820 -0.115 0.000 1.842 257 A HA -0.140 4.180 4.320 0.001 0.000 0.217 257 A C 1.883 179.494 177.584 0.045 0.000 1.206 257 A CA 2.920 54.895 52.037 -0.103 0.000 0.630 257 A CB -0.729 18.035 19.000 -0.394 0.000 0.839 257 A HN 0.643 nan 8.150 nan 0.000 0.447 258 R N -1.558 118.956 120.500 0.023 0.000 3.522 258 R HA -0.365 3.975 4.340 0.001 0.000 0.490 258 R C 1.826 178.181 176.300 0.090 0.000 0.471 258 R CA 3.000 59.092 56.100 -0.014 0.000 0.322 258 R CB -1.439 28.806 30.300 -0.092 0.000 0.589 258 R HN 0.539 nan 8.270 nan 0.000 0.245 259 R N -0.067 120.519 120.500 0.144 0.000 2.222 259 R HA -0.160 4.181 4.340 0.001 0.000 0.235 259 R C 0.636 177.110 176.300 0.291 0.000 1.112 259 R CA 2.699 58.970 56.100 0.285 0.000 0.897 259 R CB -0.897 29.522 30.300 0.198 0.000 0.882 259 R HN 0.653 nan 8.270 nan 0.000 0.429 260 D N -1.611 118.921 120.400 0.219 0.000 2.738 260 D HA 0.159 4.799 4.640 0.001 0.000 0.246 260 D C -0.265 176.185 176.300 0.250 0.000 1.270 260 D CA 0.123 54.241 54.000 0.197 0.000 0.833 260 D CB 0.194 41.082 40.800 0.147 0.000 1.040 260 D HN 0.235 nan 8.370 nan 0.000 0.487 261 F N 0.199 120.191 119.950 0.070 0.000 2.839 261 F HA 0.395 4.922 4.527 0.001 0.000 0.355 261 F C -0.206 175.613 175.800 0.032 0.000 0.904 261 F CA -0.108 57.915 58.000 0.038 0.000 1.098 261 F CB 0.754 39.763 39.000 0.015 0.000 0.982 261 F HN -0.085 nan 8.300 nan 0.000 0.600 262 A N 0.452 123.367 122.820 0.157 0.000 2.365 262 A HA 0.753 5.073 4.320 0.001 0.000 0.318 262 A C -0.653 177.004 177.584 0.122 0.000 1.091 262 A CA 0.064 52.137 52.037 0.061 0.000 0.763 262 A CB 0.958 19.951 19.000 -0.011 0.000 1.248 262 A HN 0.246 nan 8.150 nan 0.000 0.442 263 S N 0.715 116.475 115.700 0.101 0.000 2.569 263 S HA 0.659 5.129 4.470 0.001 0.000 0.280 263 S C -0.084 174.613 174.600 0.161 0.000 1.111 263 S CA -0.080 58.249 58.200 0.215 0.000 0.887 263 S CB 1.260 64.541 63.200 0.134 0.000 1.095 263 S HN 0.933 nan 8.310 nan 0.000 0.476 264 E N -0.557 119.793 120.200 0.251 0.000 3.680 264 E HA -0.225 4.125 4.350 0.001 0.000 0.309 264 E C -0.207 176.457 176.600 0.105 0.000 0.793 264 E CA 1.381 57.876 56.400 0.158 0.000 1.083 264 E CB -1.332 28.413 29.700 0.075 0.000 1.548 264 E HN 0.736 nan 8.360 nan 0.000 0.456 265 D N -1.090 119.344 120.400 0.057 0.000 2.346 265 D HA -0.029 4.611 4.640 0.001 0.000 0.206 265 D C 1.218 177.463 176.300 -0.093 0.000 1.001 265 D CA 0.458 54.410 54.000 -0.080 0.000 0.871 265 D CB -0.213 40.474 40.800 -0.188 0.000 0.943 265 D HN 0.359 nan 8.370 nan 0.000 0.518 266 W N 2.051 123.344 121.300 -0.010 0.000 2.387 266 W HA -0.026 4.634 4.660 0.001 0.000 0.272 266 W C 2.398 178.909 176.519 -0.014 0.000 1.224 266 W CA 0.960 58.300 57.345 -0.009 0.000 1.210 266 W CB -0.615 28.841 29.460 -0.006 0.000 1.125 266 W HN 0.003 nan 8.180 nan 0.000 0.572 267 G N 0.521 109.428 108.800 0.179 0.000 2.394 267 G HA2 -0.205 3.755 3.960 0.001 0.000 0.215 267 G HA3 -0.205 3.755 3.960 0.001 0.000 0.215 267 G C 1.471 176.393 174.900 0.037 0.000 1.165 267 G CA 0.732 45.887 45.100 0.092 0.000 0.784 267 G HN 0.225 nan 8.290 nan 0.000 0.535 268 K N -0.558 119.842 120.400 -0.000 0.000 2.288 268 K HA 0.132 4.452 4.320 0.001 0.000 0.201 268 K C 2.174 178.745 176.600 -0.047 0.000 1.048 268 K CA 0.275 56.537 56.287 -0.041 0.000 0.956 268 K CB -0.021 32.428 32.500 -0.084 0.000 0.746 268 K HN 0.264 nan 8.250 nan 0.000 0.461 269 L N 0.382 121.581 121.223 -0.040 0.000 2.084 269 L HA 0.026 4.366 4.340 0.001 0.000 0.202 269 L C 1.646 178.523 176.870 0.012 0.000 1.074 269 L CA 1.654 56.467 54.840 -0.046 0.000 0.757 269 L CB -0.253 41.738 42.059 -0.113 0.000 0.918 269 L HN -0.133 nan 8.230 nan 0.000 0.444 270 S N -0.086 115.653 115.700 0.065 0.000 2.595 270 S HA -0.059 4.411 4.470 0.001 0.000 0.235 270 S C 1.618 176.239 174.600 0.035 0.000 0.974 270 S CA 1.028 59.270 58.200 0.070 0.000 0.942 270 S CB -0.328 62.932 63.200 0.101 0.000 0.766 270 S HN 0.472 nan 8.310 nan 0.000 0.536 271 M N 0.863 120.473 119.600 0.017 0.000 2.800 271 M HA 0.251 4.732 4.480 0.001 0.000 0.257 271 M C 1.991 178.287 176.300 -0.007 0.000 1.309 271 M CA 0.971 56.273 55.300 0.003 0.000 1.202 271 M CB -0.733 31.864 32.600 -0.004 0.000 1.273 271 M HN 0.270 nan 8.290 nan 0.000 0.528 272 A N 1.429 124.240 122.820 -0.015 0.000 1.873 272 A HA -0.095 4.225 4.320 0.001 0.000 0.215 272 A C 2.018 179.595 177.584 -0.012 0.000 1.186 272 A CA 1.510 53.535 52.037 -0.020 0.000 0.616 272 A CB -1.065 17.915 19.000 -0.033 0.000 0.823 272 A HN 0.563 nan 8.150 nan 0.000 0.442 273 I N -0.104 120.462 120.570 -0.007 0.000 2.315 273 I HA -0.291 3.879 4.170 0.001 0.000 0.251 273 I C 2.570 178.686 176.117 -0.001 0.000 1.125 273 I CA 1.196 62.495 61.300 -0.001 0.000 1.392 273 I CB -0.521 37.485 38.000 0.011 0.000 1.065 273 I HN 0.438 nan 8.210 nan 0.000 0.424 274 G N 0.010 108.811 108.800 0.001 0.000 2.394 274 G HA2 -0.176 3.785 3.960 0.001 0.000 0.214 274 G HA3 -0.176 3.785 3.960 0.001 0.000 0.214 274 G C 1.525 176.421 174.900 -0.006 0.000 1.176 274 G CA 0.240 45.339 45.100 -0.001 0.000 0.786 274 G HN 0.264 nan 8.290 nan 0.000 0.533 275 E N 0.545 120.740 120.200 -0.009 0.000 2.070 275 E HA -0.141 4.209 4.350 0.001 0.000 0.197 275 E C 2.623 179.215 176.600 -0.013 0.000 1.004 275 E CA 0.847 57.240 56.400 -0.012 0.000 0.805 275 E CB -0.229 29.463 29.700 -0.014 0.000 0.744 275 E HN 0.327 nan 8.360 nan 0.000 0.451 276 I N 1.261 121.823 120.570 -0.013 0.000 2.286 276 I HA -0.193 3.978 4.170 0.001 0.000 0.248 276 I C 2.492 178.599 176.117 -0.018 0.000 1.115 276 I CA 1.336 62.627 61.300 -0.015 0.000 1.392 276 I CB -1.492 36.499 38.000 -0.014 0.000 1.065 276 I HN 0.026 nan 8.210 nan 0.000 0.418 277 S N -0.022 115.669 115.700 -0.015 0.000 2.496 277 S HA -0.023 4.447 4.470 0.001 0.000 0.224 277 S C 1.469 176.060 174.600 -0.015 0.000 0.996 277 S CA 0.455 58.646 58.200 -0.016 0.000 0.927 277 S CB -0.439 62.754 63.200 -0.011 0.000 0.774 277 S HN 0.340 nan 8.310 nan 0.000 0.524 278 N N 1.895 120.586 118.700 -0.014 0.000 2.235 278 N HA 0.216 4.956 4.740 0.001 0.000 0.209 278 N C -0.101 175.401 175.510 -0.015 0.000 1.122 278 N CA 0.037 53.080 53.050 -0.013 0.000 0.845 278 N CB 0.585 39.066 38.487 -0.011 0.000 1.004 278 N HN 0.599 nan 8.380 nan 0.000 0.499 279 S N -1.588 114.101 115.700 -0.018 0.000 2.718 279 S HA 0.367 4.837 4.470 0.001 0.000 0.300 279 S C 0.196 174.784 174.600 -0.020 0.000 1.117 279 S CA -0.866 57.322 58.200 -0.019 0.000 1.002 279 S CB 1.190 64.378 63.200 -0.020 0.000 1.092 279 S HN 0.184 nan 8.310 nan 0.000 0.542 280 N N 0.180 118.870 118.700 -0.018 0.000 2.376 280 N HA 0.240 4.980 4.740 0.001 0.000 0.249 280 N C -0.725 174.775 175.510 -0.018 0.000 1.140 280 N CA -0.187 52.853 53.050 -0.016 0.000 0.870 280 N CB 0.085 38.567 38.487 -0.008 0.000 1.124 280 N HN 0.468 nan 8.380 nan 0.000 0.505 281 I N 1.453 122.006 120.570 -0.028 0.000 2.352 281 I HA 0.115 4.285 4.170 0.001 0.000 0.290 281 I C 0.051 176.125 176.117 -0.072 0.000 1.036 281 I CA 0.042 61.321 61.300 -0.034 0.000 1.336 281 I CB 0.274 38.255 38.000 -0.032 0.000 1.407 281 I HN 0.083 nan 8.210 nan 0.000 0.497 282 N N 7.171 125.818 118.700 -0.088 0.000 2.392 282 N HA 0.551 5.291 4.740 0.001 0.000 0.283 282 N C -0.829 174.492 175.510 -0.315 0.000 1.003 282 N CA -0.584 52.333 53.050 -0.222 0.000 0.892 282 N CB 2.339 40.702 38.487 -0.208 0.000 1.193 282 N HN 0.432 nan 8.380 nan 0.000 0.487 283 I N 3.112 123.427 120.570 -0.424 0.000 2.362 283 I HA 0.358 4.528 4.170 0.001 0.000 0.289 283 I C -0.987 174.821 176.117 -0.515 0.000 0.994 283 I CA -0.601 60.498 61.300 -0.335 0.000 1.158 283 I CB 0.768 38.672 38.000 -0.161 0.000 1.315 283 I HN 0.312 nan 8.210 nan 0.000 0.451 284 F N 4.601 124.440 119.950 -0.184 0.000 2.436 284 F HA 0.314 4.841 4.527 0.001 0.000 0.340 284 F C 0.632 176.401 175.800 -0.051 0.000 1.113 284 F CA -0.659 57.257 58.000 -0.140 0.000 1.022 284 F CB 1.259 40.081 39.000 -0.296 0.000 1.128 284 F HN 0.488 nan 8.300 nan 0.000 0.466 285 D N 1.188 121.684 120.400 0.159 0.000 2.760 285 D HA 0.033 4.673 4.640 0.001 0.000 0.314 285 D C -0.056 176.290 176.300 0.076 0.000 1.464 285 D CA -0.427 53.630 54.000 0.096 0.000 0.797 285 D CB -0.001 40.823 40.800 0.041 0.000 1.149 285 D HN 0.401 nan 8.370 nan 0.000 0.455 286 K N 0.590 121.046 120.400 0.093 0.000 2.448 286 K HA 0.302 4.622 4.320 0.001 0.000 0.278 286 K C 1.274 177.848 176.600 -0.044 0.000 1.009 286 K CA 0.255 56.539 56.287 -0.006 0.000 0.995 286 K CB 1.159 33.583 32.500 -0.127 0.000 0.917 286 K HN 0.035 nan 8.250 nan 0.000 0.481 287 A N 3.958 126.750 122.820 -0.046 0.000 1.851 287 A HA -0.059 4.261 4.320 0.001 0.000 0.216 287 A C 1.055 178.607 177.584 -0.053 0.000 1.195 287 A CA 1.772 53.787 52.037 -0.037 0.000 0.622 287 A CB -0.718 18.264 19.000 -0.029 0.000 0.831 287 A HN 0.773 nan 8.150 nan 0.000 0.444 288 G N 0.083 108.827 108.800 -0.094 0.000 2.415 288 G HA2 0.524 4.484 3.960 0.001 0.000 0.317 288 G HA3 0.524 4.484 3.960 0.001 0.000 0.317 288 G C -0.686 174.098 174.900 -0.193 0.000 1.152 288 G CA -0.423 44.618 45.100 -0.098 0.000 0.956 288 G HN 0.443 nan 8.290 nan 0.000 0.458 289 Q N 1.617 121.336 119.800 -0.135 0.000 2.341 289 Q HA 0.374 4.714 4.340 0.001 0.000 0.268 289 Q C -0.064 175.930 176.000 -0.010 0.000 1.013 289 Q CA -0.636 55.069 55.803 -0.162 0.000 0.798 289 Q CB 2.073 30.798 28.738 -0.022 0.000 1.253 289 Q HN 0.654 nan 8.270 nan 0.000 0.457 290 S N 0.288 116.006 115.700 0.031 0.000 2.617 290 S HA 0.206 4.676 4.470 0.001 0.000 0.269 290 S C 1.263 175.929 174.600 0.111 0.000 1.292 290 S CA -0.769 57.472 58.200 0.069 0.000 1.010 290 S CB 1.185 64.424 63.200 0.065 0.000 0.944 290 S HN 0.415 nan 8.310 nan 0.000 0.536 291 V N 2.359 122.319 119.914 0.077 0.000 2.469 291 V HA -0.233 3.887 4.120 0.001 0.000 0.251 291 V C 2.112 178.299 176.094 0.155 0.000 1.064 291 V CA 2.376 64.728 62.300 0.085 0.000 1.066 291 V CB -1.606 30.259 31.823 0.070 0.000 0.667 291 V HN 0.847 nan 8.190 nan 0.000 0.461 292 N N -0.882 117.895 118.700 0.128 0.000 2.244 292 N HA -0.165 4.576 4.740 0.001 0.000 0.183 292 N C 1.733 177.327 175.510 0.140 0.000 1.016 292 N CA 1.302 54.413 53.050 0.103 0.000 0.866 292 N CB -0.389 38.095 38.487 -0.005 0.000 0.980 292 N HN 0.649 nan 8.380 nan 0.000 0.430 293 Y N 1.630 121.945 120.300 0.025 0.000 2.114 293 Y HA -0.120 4.430 4.550 0.001 0.000 0.284 293 Y C 1.889 177.786 175.900 -0.005 0.000 1.143 293 Y CA 1.453 59.559 58.100 0.011 0.000 1.135 293 Y CB -0.294 38.172 38.460 0.009 0.000 0.980 293 Y HN -0.011 nan 8.280 nan 0.000 0.499 294 I N -0.916 119.697 120.570 0.071 0.000 2.208 294 I HA -0.366 3.804 4.170 0.001 0.000 0.245 294 I C 2.399 178.446 176.117 -0.116 0.000 1.097 294 I CA 1.445 62.642 61.300 -0.172 0.000 1.363 294 I CB -0.694 37.104 38.000 -0.336 0.000 1.051 294 I HN 0.516 nan 8.210 nan 0.000 0.413 295 W N 1.660 122.858 121.300 -0.171 0.000 2.317 295 W HA -0.296 4.365 4.660 0.001 0.000 0.318 295 W C 2.941 179.370 176.519 -0.151 0.000 1.227 295 W CA 2.185 59.448 57.345 -0.135 0.000 1.269 295 W CB -0.739 28.664 29.460 -0.096 0.000 1.155 295 W HN 0.156 nan 8.180 nan 0.000 0.484 296 S N 0.552 116.349 115.700 0.162 0.000 2.359 296 S HA -0.180 4.290 4.470 0.001 0.000 0.224 296 S C 1.863 176.408 174.600 -0.092 0.000 1.035 296 S CA 1.597 59.810 58.200 0.021 0.000 1.018 296 S CB -0.354 62.791 63.200 -0.092 0.000 0.876 296 S HN 0.067 nan 8.310 nan 0.000 0.448 297 K N 0.692 120.931 120.400 -0.268 0.000 2.442 297 K HA 0.057 4.377 4.320 0.001 0.000 0.198 297 K C 1.913 178.421 176.600 -0.155 0.000 1.042 297 K CA 0.968 57.055 56.287 -0.334 0.000 0.958 297 K CB -0.767 31.246 32.500 -0.811 0.000 0.766 297 K HN 0.463 nan 8.250 nan 0.000 0.474 298 T N 0.592 115.082 114.554 -0.108 0.000 2.939 298 T HA 0.031 4.382 4.350 0.001 0.000 0.254 298 T C 1.895 176.570 174.700 -0.043 0.000 1.041 298 T CA 0.469 62.524 62.100 -0.075 0.000 1.142 298 T CB 0.104 68.871 68.868 -0.169 0.000 0.874 298 T HN 0.230 nan 8.240 nan 0.000 0.452 299 R N 1.307 121.799 120.500 -0.013 0.000 2.080 299 R HA -0.137 4.203 4.340 0.001 0.000 0.236 299 R C 2.636 178.949 176.300 0.021 0.000 1.137 299 R CA 1.536 57.651 56.100 0.025 0.000 0.943 299 R CB -0.433 29.924 30.300 0.095 0.000 0.846 299 R HN 0.444 nan 8.270 nan 0.000 0.431 300 Q N 0.398 120.209 119.800 0.018 0.000 2.061 300 Q HA -0.165 4.175 4.340 0.001 0.000 0.204 300 Q C 1.699 177.723 176.000 0.040 0.000 0.984 300 Q CA 2.301 58.119 55.803 0.025 0.000 0.846 300 Q CB 0.002 28.751 28.738 0.018 0.000 0.902 300 Q HN 0.302 nan 8.270 nan 0.000 0.421 301 T N 0.428 115.014 114.554 0.053 0.000 2.867 301 T HA -0.117 4.233 4.350 0.001 0.000 0.268 301 T C 1.605 176.329 174.700 0.041 0.000 1.057 301 T CA 1.367 63.509 62.100 0.071 0.000 1.136 301 T CB -0.100 68.837 68.868 0.116 0.000 0.874 301 T HN 0.260 nan 8.240 nan 0.000 0.466 302 K N 0.765 121.179 120.400 0.023 0.000 2.228 302 K HA 0.044 4.365 4.320 0.001 0.000 0.202 302 K C 2.497 179.106 176.600 0.014 0.000 1.051 302 K CA 0.580 56.874 56.287 0.012 0.000 0.960 302 K CB 0.058 32.554 32.500 -0.005 0.000 0.743 302 K HN 0.147 nan 8.250 nan 0.000 0.458 303 R N 0.864 121.374 120.500 0.018 0.000 2.062 303 R HA -0.053 4.287 4.340 0.001 0.000 0.226 303 R C 1.733 178.043 176.300 0.017 0.000 1.125 303 R CA 1.381 57.491 56.100 0.017 0.000 0.966 303 R CB 0.077 30.389 30.300 0.019 0.000 0.861 303 R HN 0.015 nan 8.270 nan 0.000 0.433 304 K N 0.041 120.454 120.400 0.021 0.000 2.209 304 K HA -0.066 4.254 4.320 0.001 0.000 0.204 304 K C 0.072 176.681 176.600 0.016 0.000 1.048 304 K CA 1.029 57.328 56.287 0.019 0.000 0.940 304 K CB -0.063 32.452 32.500 0.025 0.000 0.729 304 K HN 0.322 nan 8.250 nan 0.000 0.451 305 N N 1.949 120.659 118.700 0.017 0.000 2.800 305 N HA 0.173 4.914 4.740 0.001 0.000 0.240 305 N C -2.743 172.773 175.510 0.010 0.000 1.096 305 N CA -1.417 51.641 53.050 0.013 0.000 0.877 305 N CB 1.413 39.909 38.487 0.016 0.000 1.138 305 N HN -0.001 nan 8.380 nan 0.000 0.509 306 P HA 0.167 nan 4.420 nan 0.000 0.277 306 P C 0.955 178.258 177.300 0.006 0.000 1.240 306 P CA 0.433 63.537 63.100 0.007 0.000 0.798 306 P CB 1.340 33.043 31.700 0.006 0.000 0.979 307 G N 1.638 110.441 108.800 0.005 0.000 2.377 307 G HA2 -0.262 3.698 3.960 0.001 0.000 0.250 307 G HA3 -0.262 3.698 3.960 0.001 0.000 0.250 307 G C 0.090 174.993 174.900 0.005 0.000 1.039 307 G CA 0.783 45.886 45.100 0.005 0.000 0.625 307 G HN 0.829 nan 8.290 nan 0.000 0.526 308 K N 0.777 121.180 120.400 0.005 0.000 2.110 308 K HA 0.737 5.057 4.320 0.001 0.000 0.263 308 K C 0.245 176.850 176.600 0.007 0.000 0.975 308 K CA -1.045 55.246 56.287 0.006 0.000 0.895 308 K CB 1.571 34.075 32.500 0.006 0.000 1.060 308 K HN 0.310 nan 8.250 nan 0.000 0.448 309 R N 0.892 121.397 120.500 0.009 0.000 2.582 309 R HA 0.295 4.635 4.340 0.001 0.000 0.271 309 R C -0.518 175.790 176.300 0.013 0.000 1.078 309 R CA -0.693 55.413 56.100 0.011 0.000 1.127 309 R CB 0.981 31.290 30.300 0.015 0.000 1.038 309 R HN 0.358 nan 8.270 nan 0.000 0.500 310 V N 3.708 123.629 119.914 0.011 0.000 2.656 310 V HA 0.406 4.526 4.120 0.001 0.000 0.307 310 V C -0.544 175.561 176.094 0.019 0.000 1.051 310 V CA -0.824 61.486 62.300 0.017 0.000 0.893 310 V CB 1.840 33.669 31.823 0.011 0.000 0.999 310 V HN 0.500 nan 8.190 nan 0.000 0.426 311 I N 4.198 124.789 120.570 0.034 0.000 2.433 311 I HA 0.513 4.684 4.170 0.001 0.000 0.292 311 I C -0.300 175.850 176.117 0.054 0.000 1.001 311 I CA -0.471 60.851 61.300 0.037 0.000 1.119 311 I CB 2.095 40.122 38.000 0.046 0.000 1.289 311 I HN 0.303 nan 8.210 nan 0.000 0.438 312 V N 6.595 126.534 119.914 0.041 0.000 2.313 312 V HA 0.460 4.581 4.120 0.001 0.000 0.278 312 V C 0.159 176.300 176.094 0.078 0.000 1.017 312 V CA -0.548 61.797 62.300 0.075 0.000 0.823 312 V CB 0.859 32.683 31.823 0.001 0.000 1.010 312 V HN 0.620 nan 8.190 nan 0.000 0.443 313 M N 5.581 125.261 119.600 0.135 0.000 2.367 313 M HA 0.628 5.108 4.480 0.001 0.000 0.339 313 M C -0.824 175.579 176.300 0.171 0.000 1.177 313 M CA -0.310 55.058 55.300 0.114 0.000 1.068 313 M CB 1.931 34.587 32.600 0.093 0.000 1.602 313 M HN 0.420 nan 8.290 nan 0.000 0.457 314 I N 1.338 121.988 120.570 0.133 0.000 2.468 314 I HA 0.160 4.330 4.170 0.001 0.000 0.285 314 I C -0.642 175.576 176.117 0.168 0.000 1.039 314 I CA -0.573 60.824 61.300 0.161 0.000 1.074 314 I CB 1.867 39.936 38.000 0.116 0.000 1.228 314 I HN 0.565 nan 8.210 nan 0.000 0.436 315 D N 6.663 127.182 120.400 0.198 0.000 2.713 315 D HA 0.185 4.826 4.640 0.001 0.000 0.229 315 D C -1.436 175.083 176.300 0.364 0.000 1.136 315 D CA 0.346 54.478 54.000 0.220 0.000 1.010 315 D CB -0.263 40.629 40.800 0.154 0.000 1.084 315 D HN 0.332 nan 8.370 nan 0.000 0.495 316 Y N 0.514 120.855 120.300 0.068 0.000 2.849 316 Y HA -0.143 4.408 4.550 0.001 0.000 0.134 316 Y C 0.064 176.001 175.900 0.062 0.000 2.368 316 Y CA -0.634 57.502 58.100 0.059 0.000 1.245 316 Y CB -1.164 37.329 38.460 0.054 0.000 1.899 316 Y HN 0.123 nan 8.280 nan 0.000 0.266 317 L N 2.525 123.769 121.223 0.035 0.000 2.201 317 L HA -0.088 4.252 4.340 0.001 0.000 0.212 317 L C 1.652 178.548 176.870 0.043 0.000 1.105 317 L CA 2.112 56.982 54.840 0.051 0.000 0.775 317 L CB -0.073 42.007 42.059 0.035 0.000 0.913 317 L HN 0.732 nan 8.230 nan 0.000 0.440 318 Q N -1.425 118.371 119.800 -0.008 0.000 2.354 318 Q HA 0.072 4.413 4.340 0.001 0.000 0.203 318 Q C 1.709 177.781 176.000 0.121 0.000 0.933 318 Q CA 0.634 56.452 55.803 0.024 0.000 0.901 318 Q CB -0.133 28.573 28.738 -0.052 0.000 1.007 318 Q HN 0.320 nan 8.270 nan 0.000 0.495 319 L N -0.148 121.216 121.223 0.235 0.000 2.599 319 L HA 0.124 4.465 4.340 0.001 0.000 0.230 319 L C 0.084 177.029 176.870 0.125 0.000 1.141 319 L CA 0.542 55.511 54.840 0.215 0.000 0.877 319 L CB -0.248 41.971 42.059 0.266 0.000 1.009 319 L HN 0.172 nan 8.230 nan 0.000 0.447 320 L N 0.084 121.373 121.223 0.110 0.000 2.461 320 L HA 0.015 4.355 4.340 0.001 0.000 0.272 320 L C 0.783 177.683 176.870 0.050 0.000 1.197 320 L CA 0.200 55.084 54.840 0.073 0.000 0.836 320 L CB 0.370 42.468 42.059 0.066 0.000 1.105 320 L HN 0.094 nan 8.230 nan 0.000 0.477 321 E N 5.031 125.250 120.200 0.032 0.000 2.194 321 E HA 0.211 4.561 4.350 0.001 0.000 0.284 321 E C -2.112 174.502 176.600 0.022 0.000 1.035 321 E CA -1.837 54.575 56.400 0.020 0.000 0.836 321 E CB 0.951 30.651 29.700 0.000 0.000 1.070 321 E HN 0.261 nan 8.360 nan 0.000 0.401 322 P HA -0.015 nan 4.420 nan 0.000 0.275 322 P C -0.320 176.987 177.300 0.012 0.000 1.270 322 P CA 0.060 63.170 63.100 0.017 0.000 0.791 322 P CB 0.880 32.590 31.700 0.016 0.000 1.089 323 A N 0.602 123.427 122.820 0.008 0.000 1.887 323 A HA 0.020 4.341 4.320 0.001 0.000 0.212 323 A C 0.896 178.481 177.584 0.001 0.000 1.198 323 A CA 1.062 53.101 52.037 0.002 0.000 0.628 323 A CB -0.465 18.532 19.000 -0.004 0.000 0.847 323 A HN 0.498 nan 8.150 nan 0.000 0.449 324 K N 0.433 120.834 120.400 0.002 0.000 2.292 324 K HA 0.550 4.870 4.320 0.001 0.000 0.270 324 K C 0.764 177.367 176.600 0.005 0.000 1.062 324 K CA 0.163 56.452 56.287 0.002 0.000 0.916 324 K CB 1.504 34.005 32.500 0.002 0.000 1.166 324 K HN 0.272 nan 8.250 nan 0.000 0.458 325 A N 3.975 126.797 122.820 0.005 0.000 1.865 325 A HA -0.172 4.148 4.320 0.001 0.000 0.217 325 A C 0.750 178.338 177.584 0.007 0.000 1.191 325 A CA 1.224 53.265 52.037 0.006 0.000 0.623 325 A CB -0.349 18.654 19.000 0.005 0.000 0.826 325 A HN 0.798 nan 8.150 nan 0.000 0.444 326 N N 0.962 119.666 118.700 0.006 0.000 2.807 326 N HA 0.265 5.005 4.740 0.001 0.000 0.259 326 N C -1.330 174.183 175.510 0.006 0.000 1.149 326 N CA -0.163 52.890 53.050 0.006 0.000 1.042 326 N CB 0.292 38.782 38.487 0.005 0.000 1.367 326 N HN 0.359 nan 8.380 nan 0.000 0.516 327 D N -0.247 120.157 120.400 0.007 0.000 2.599 327 D HA 0.110 4.750 4.640 0.001 0.000 0.252 327 D C -0.645 175.660 176.300 0.009 0.000 1.232 327 D CA -0.494 53.510 54.000 0.007 0.000 0.819 327 D CB 1.568 42.372 40.800 0.007 0.000 1.401 327 D HN 0.277 nan 8.370 nan 0.000 0.429 328 S N 0.953 116.658 115.700 0.009 0.000 2.562 328 S HA 0.147 4.618 4.470 0.001 0.000 0.281 328 S C 1.181 175.787 174.600 0.011 0.000 1.333 328 S CA -0.346 57.860 58.200 0.009 0.000 1.052 328 S CB 1.939 65.144 63.200 0.009 0.000 0.884 328 S HN 0.530 nan 8.310 nan 0.000 0.506 329 R N 2.440 122.947 120.500 0.012 0.000 2.091 329 R HA -0.094 4.246 4.340 0.001 0.000 0.238 329 R C 1.977 178.286 176.300 0.014 0.000 1.136 329 R CA 2.471 58.579 56.100 0.014 0.000 0.959 329 R CB -1.637 28.672 30.300 0.014 0.000 0.856 329 R HN 0.832 nan 8.270 nan 0.000 0.437 330 T N 0.070 114.632 114.554 0.013 0.000 2.929 330 T HA -0.038 4.312 4.350 0.001 0.000 0.271 330 T C 1.308 176.016 174.700 0.015 0.000 1.085 330 T CA 1.586 63.694 62.100 0.014 0.000 1.125 330 T CB -0.274 68.601 68.868 0.012 0.000 0.874 330 T HN 0.487 nan 8.240 nan 0.000 0.494 331 N N 0.266 118.974 118.700 0.013 0.000 2.376 331 N HA 0.016 4.757 4.740 0.001 0.000 0.177 331 N C 2.073 177.590 175.510 0.013 0.000 1.024 331 N CA 0.294 53.352 53.050 0.012 0.000 0.893 331 N CB 0.115 38.608 38.487 0.010 0.000 0.980 331 N HN 0.460 nan 8.380 nan 0.000 0.439 332 Q N 0.614 120.422 119.800 0.014 0.000 2.046 332 Q HA -0.043 4.298 4.340 0.001 0.000 0.200 332 Q C 1.828 177.840 176.000 0.019 0.000 0.975 332 Q CA 0.886 56.698 55.803 0.016 0.000 0.836 332 Q CB 0.137 28.885 28.738 0.017 0.000 0.896 332 Q HN 0.355 nan 8.270 nan 0.000 0.428 333 I N 0.610 121.193 120.570 0.022 0.000 2.454 333 I HA -0.181 3.989 4.170 0.001 0.000 0.254 333 I C 1.988 178.122 176.117 0.030 0.000 1.156 333 I CA 1.128 62.445 61.300 0.028 0.000 1.433 333 I CB -1.005 37.011 38.000 0.028 0.000 1.082 333 I HN 0.084 nan 8.210 nan 0.000 0.432 334 S N 0.330 116.044 115.700 0.023 0.000 2.371 334 S HA -0.157 4.313 4.470 0.001 0.000 0.224 334 S C 1.945 176.551 174.600 0.011 0.000 1.029 334 S CA 0.810 59.022 58.200 0.021 0.000 0.978 334 S CB -0.229 62.982 63.200 0.018 0.000 0.833 334 S HN 0.477 nan 8.310 nan 0.000 0.466 335 Q N 1.314 121.119 119.800 0.009 0.000 2.096 335 Q HA -0.125 4.215 4.340 0.001 0.000 0.204 335 Q C 2.022 178.021 176.000 -0.001 0.000 0.982 335 Q CA 1.439 57.244 55.803 0.004 0.000 0.850 335 Q CB -0.385 28.356 28.738 0.006 0.000 0.901 335 Q HN 0.546 nan 8.270 nan 0.000 0.422 336 I N 0.197 120.770 120.570 0.004 0.000 2.133 336 I HA -0.248 3.923 4.170 0.001 0.000 0.238 336 I C 2.734 178.826 176.117 -0.040 0.000 1.074 336 I CA 1.232 62.531 61.300 -0.002 0.000 1.342 336 I CB -0.629 37.383 38.000 0.020 0.000 1.053 336 I HN 0.192 nan 8.210 nan 0.000 0.404 337 S N 0.823 116.513 115.700 -0.017 0.000 2.359 337 S HA -0.254 4.217 4.470 0.001 0.000 0.223 337 S C 2.257 176.764 174.600 -0.156 0.000 1.039 337 S CA 1.656 59.829 58.200 -0.045 0.000 1.042 337 S CB -0.274 62.969 63.200 0.072 0.000 0.915 337 S HN 0.259 nan 8.310 nan 0.000 0.439 338 R N 0.248 120.706 120.500 -0.071 0.000 2.083 338 R HA -0.110 4.230 4.340 0.001 0.000 0.237 338 R C 2.001 178.249 176.300 -0.087 0.000 1.137 338 R CA 1.923 57.983 56.100 -0.067 0.000 0.951 338 R CB -0.622 29.666 30.300 -0.021 0.000 0.851 338 R HN 0.472 nan 8.270 nan 0.000 0.434 339 D N 0.451 120.816 120.400 -0.060 0.000 2.117 339 D HA -0.113 4.528 4.640 0.001 0.000 0.197 339 D C 1.922 178.181 176.300 -0.068 0.000 0.987 339 D CA 0.830 54.829 54.000 -0.002 0.000 0.829 339 D CB -0.128 40.693 40.800 0.035 0.000 0.961 339 D HN 0.116 nan 8.370 nan 0.000 0.460 340 L N 0.405 121.488 121.223 -0.233 0.000 2.042 340 L HA -0.215 4.126 4.340 0.001 0.000 0.210 340 L C 2.367 178.881 176.870 -0.593 0.000 1.076 340 L CA 1.239 55.818 54.840 -0.435 0.000 0.749 340 L CB -0.308 41.366 42.059 -0.641 0.000 0.893 340 L HN 0.052 nan 8.230 nan 0.000 0.432 341 K N 0.431 120.449 120.400 -0.636 0.000 2.002 341 K HA -0.207 4.113 4.320 0.001 0.000 0.209 341 K C 2.179 178.655 176.600 -0.208 0.000 1.048 341 K CA 1.336 57.368 56.287 -0.425 0.000 0.930 341 K CB 0.005 32.353 32.500 -0.253 0.000 0.714 341 K HN 0.079 nan 8.250 nan 0.000 0.438 342 K N 0.472 120.802 120.400 -0.117 0.000 2.059 342 K HA -0.250 4.071 4.320 0.001 0.000 0.212 342 K C 2.224 178.755 176.600 -0.115 0.000 1.050 342 K CA 2.198 58.477 56.287 -0.013 0.000 0.927 342 K CB -0.228 32.352 32.500 0.133 0.000 0.714 342 K HN 0.328 nan 8.250 nan 0.000 0.447 343 M N 0.313 119.732 119.600 -0.302 0.000 2.065 343 M HA -0.244 4.236 4.480 0.001 0.000 0.259 343 M C 2.170 178.157 176.300 -0.522 0.000 1.071 343 M CA 2.091 56.896 55.300 -0.826 0.000 1.109 343 M CB -0.213 31.918 32.600 -0.783 0.000 1.313 343 M HN 0.206 nan 8.290 nan 0.000 0.408 344 A N 0.494 123.123 122.820 -0.318 0.000 1.908 344 A HA -0.200 4.120 4.320 0.001 0.000 0.218 344 A C 2.143 179.647 177.584 -0.133 0.000 1.181 344 A CA 1.714 53.641 52.037 -0.185 0.000 0.627 344 A CB -0.709 18.241 19.000 -0.084 0.000 0.818 344 A HN 0.532 nan 8.150 nan 0.000 0.445 345 R N -0.888 119.544 120.500 -0.113 0.000 2.057 345 R HA -0.079 4.261 4.340 0.001 0.000 0.229 345 R C 2.128 178.396 176.300 -0.054 0.000 1.136 345 R CA 1.657 57.724 56.100 -0.056 0.000 0.952 345 R CB -0.549 29.736 30.300 -0.026 0.000 0.848 345 R HN 0.770 nan 8.270 nan 0.000 0.430 346 E N -0.011 120.150 120.200 -0.064 0.000 2.285 346 E HA -0.083 4.267 4.350 0.001 0.000 0.194 346 E C 1.289 177.861 176.600 -0.047 0.000 0.997 346 E CA 0.339 56.737 56.400 -0.003 0.000 0.845 346 E CB 0.288 30.064 29.700 0.127 0.000 0.782 346 E HN -0.013 nan 8.360 nan 0.000 0.491 347 L N 0.418 121.533 121.223 -0.180 0.000 2.590 347 L HA 0.134 4.474 4.340 0.001 0.000 0.227 347 L C -0.302 176.493 176.870 -0.126 0.000 1.099 347 L CA 0.578 55.302 54.840 -0.193 0.000 0.872 347 L CB 0.541 42.348 42.059 -0.419 0.000 1.088 347 L HN -0.003 nan 8.230 nan 0.000 0.479 348 D N 0.172 120.509 120.400 -0.106 0.000 2.760 348 D HA -0.138 4.502 4.640 0.001 0.000 0.244 348 D C -0.643 175.623 176.300 -0.056 0.000 1.123 348 D CA 1.081 55.046 54.000 -0.059 0.000 0.719 348 D CB -0.662 40.119 40.800 -0.030 0.000 1.045 348 D HN 0.133 nan 8.370 nan 0.000 0.426 349 V N -2.998 116.871 119.914 -0.075 0.000 2.971 349 V HA 0.715 4.835 4.120 0.001 0.000 0.309 349 V C 0.506 176.580 176.094 -0.033 0.000 1.130 349 V CA -1.165 61.102 62.300 -0.054 0.000 0.964 349 V CB 2.265 34.039 31.823 -0.082 0.000 1.029 349 V HN -0.057 nan 8.190 nan 0.000 0.427 350 V N 3.087 123.001 119.914 0.001 0.000 2.450 350 V HA 0.224 4.345 4.120 0.001 0.000 0.281 350 V C 0.304 176.396 176.094 -0.003 0.000 1.019 350 V CA 0.026 62.335 62.300 0.015 0.000 1.062 350 V CB 0.885 32.739 31.823 0.052 0.000 0.979 350 V HN 0.698 nan 8.190 nan 0.000 0.477 351 V N 7.456 127.381 119.914 0.018 0.000 2.311 351 V HA 0.431 4.551 4.120 0.001 0.000 0.275 351 V C 0.028 176.155 176.094 0.055 0.000 1.022 351 V CA -0.261 62.080 62.300 0.069 0.000 0.830 351 V CB 1.194 33.096 31.823 0.131 0.000 1.012 351 V HN 0.661 nan 8.190 nan 0.000 0.452 352 I N 4.433 124.988 120.570 -0.025 0.000 2.339 352 I HA 0.706 4.876 4.170 0.001 0.000 0.290 352 I C 0.318 176.417 176.117 -0.029 0.000 0.994 352 I CA -0.398 60.830 61.300 -0.120 0.000 1.191 352 I CB 1.675 39.577 38.000 -0.164 0.000 1.343 352 I HN 0.627 nan 8.210 nan 0.000 0.458 353 A N 7.382 130.158 122.820 -0.073 0.000 2.311 353 A HA 0.684 5.004 4.320 0.001 0.000 0.306 353 A C -0.760 176.804 177.584 -0.033 0.000 1.189 353 A CA -0.536 51.511 52.037 0.016 0.000 0.791 353 A CB 0.740 19.832 19.000 0.155 0.000 1.172 353 A HN 0.537 nan 8.150 nan 0.000 0.481 354 L N 1.724 122.963 121.223 0.027 0.000 2.426 354 L HA 0.523 4.863 4.340 0.001 0.000 0.271 354 L C 0.965 177.831 176.870 -0.007 0.000 1.169 354 L CA 1.035 55.895 54.840 0.032 0.000 0.836 354 L CB 1.207 43.329 42.059 0.106 0.000 1.112 354 L HN 0.760 nan 8.230 nan 0.000 0.465 355 S N 1.160 116.832 115.700 -0.047 0.000 2.720 355 S HA 0.747 5.217 4.470 0.001 0.000 0.287 355 S C -1.436 173.081 174.600 -0.139 0.000 1.168 355 S CA -0.726 57.407 58.200 -0.113 0.000 0.832 355 S CB 1.545 64.712 63.200 -0.055 0.000 1.166 355 S HN 0.625 nan 8.310 nan 0.000 0.493 356 Q N 1.212 120.905 119.800 -0.178 0.000 2.387 356 Q HA 0.722 5.063 4.340 0.001 0.000 0.273 356 Q C -1.356 174.607 176.000 -0.062 0.000 1.089 356 Q CA -0.993 54.728 55.803 -0.135 0.000 0.824 356 Q CB 1.557 30.162 28.738 -0.222 0.000 1.367 356 Q HN 0.582 nan 8.270 nan 0.000 0.443 357 L N 1.112 122.311 121.223 -0.040 0.000 2.344 357 L HA 0.413 4.754 4.340 0.001 0.000 0.272 357 L C 0.378 177.223 176.870 -0.042 0.000 1.035 357 L CA -1.053 53.758 54.840 -0.048 0.000 0.807 357 L CB 1.939 43.943 42.059 -0.092 0.000 1.237 357 L HN 0.795 nan 8.230 nan 0.000 0.442 358 S N 1.067 116.739 115.700 -0.046 0.000 2.573 358 S HA -0.085 4.385 4.470 0.001 0.000 0.297 358 S C 1.258 175.846 174.600 -0.019 0.000 1.280 358 S CA 0.014 58.195 58.200 -0.031 0.000 1.061 358 S CB 0.272 63.451 63.200 -0.036 0.000 0.812 358 S HN 0.689 nan 8.310 nan 0.000 0.500 359 R N 2.893 123.393 120.500 -0.001 0.000 2.377 359 R HA -0.057 4.284 4.340 0.001 0.000 0.207 359 R C 1.952 178.259 176.300 0.012 0.000 1.075 359 R CA 1.305 57.416 56.100 0.018 0.000 1.035 359 R CB -0.161 30.155 30.300 0.026 0.000 0.857 359 R HN 0.825 nan 8.270 nan 0.000 0.475 360 Q N -0.125 119.670 119.800 -0.009 0.000 2.472 360 Q HA -0.032 4.308 4.340 0.001 0.000 0.208 360 Q C 1.428 177.406 176.000 -0.036 0.000 0.958 360 Q CA 0.445 56.236 55.803 -0.019 0.000 0.932 360 Q CB 0.423 29.145 28.738 -0.027 0.000 1.007 360 Q HN 0.255 nan 8.270 nan 0.000 0.508 361 V N 0.883 120.772 119.914 -0.042 0.000 2.515 361 V HA -0.200 3.921 4.120 0.001 0.000 0.250 361 V C 1.374 177.425 176.094 -0.072 0.000 1.058 361 V CA 1.728 63.983 62.300 -0.075 0.000 1.064 361 V CB -0.264 31.510 31.823 -0.083 0.000 0.675 361 V HN 0.370 nan 8.190 nan 0.000 0.461 362 E N -0.234 119.962 120.200 -0.006 0.000 2.502 362 E HA -0.092 4.259 4.350 0.001 0.000 0.194 362 E C 1.328 177.928 176.600 -0.001 0.000 1.062 362 E CA -0.007 56.407 56.400 0.023 0.000 0.867 362 E CB 0.119 29.913 29.700 0.155 0.000 0.888 362 E HN 0.397 nan 8.360 nan 0.000 0.510 363 Q N 1.269 121.056 119.800 -0.021 0.000 2.268 363 Q HA 0.159 4.499 4.340 0.001 0.000 0.289 363 Q C -0.647 175.328 176.000 -0.041 0.000 0.893 363 Q CA -0.048 55.742 55.803 -0.021 0.000 1.057 363 Q CB 0.080 28.811 28.738 -0.012 0.000 1.173 363 Q HN 0.012 nan 8.270 nan 0.000 0.449 364 R N -1.274 119.187 120.500 -0.066 0.000 2.922 364 R HA 0.390 4.730 4.340 0.001 0.000 0.256 364 R C 0.368 176.618 176.300 -0.084 0.000 1.138 364 R CA -0.625 55.429 56.100 -0.076 0.000 0.995 364 R CB 0.805 31.047 30.300 -0.097 0.000 1.226 364 R HN 0.125 nan 8.270 nan 0.000 0.481 365 Q N 0.086 119.839 119.800 -0.078 0.000 2.165 365 Q HA -0.014 4.327 4.340 0.001 0.000 0.197 365 Q C -0.326 175.617 176.000 -0.095 0.000 0.952 365 Q CA 0.881 56.642 55.803 -0.070 0.000 0.848 365 Q CB 0.261 28.968 28.738 -0.051 0.000 0.931 365 Q HN 0.329 nan 8.270 nan 0.000 0.470 366 D N 0.725 121.053 120.400 -0.120 0.000 2.396 366 D HA 0.043 4.684 4.640 0.001 0.000 0.225 366 D C 0.009 176.168 176.300 -0.235 0.000 1.121 366 D CA -0.163 53.740 54.000 -0.162 0.000 0.853 366 D CB 0.707 41.416 40.800 -0.151 0.000 1.043 366 D HN -0.130 nan 8.370 nan 0.000 0.500 367 K N 2.779 123.001 120.400 -0.296 0.000 2.569 367 K HA 0.007 4.327 4.320 0.001 0.000 0.193 367 K C 0.555 176.918 176.600 -0.396 0.000 1.026 367 K CA -0.087 55.965 56.287 -0.392 0.000 1.093 367 K CB -0.167 31.882 32.500 -0.753 0.000 0.849 367 K HN 0.249 nan 8.250 nan 0.000 0.509 368 R N 2.527 122.717 120.500 -0.516 0.000 2.296 368 R HA 0.110 4.450 4.340 0.001 0.000 0.323 368 R C -2.355 173.725 176.300 -0.366 0.000 1.067 368 R CA -1.602 54.138 56.100 -0.600 0.000 0.946 368 R CB 0.355 30.326 30.300 -0.548 0.000 0.991 368 R HN -0.067 nan 8.270 nan 0.000 0.448 369 P HA 0.031 nan 4.420 nan 0.000 0.271 369 P C -0.609 176.360 177.300 -0.553 0.000 1.216 369 P CA 0.157 62.945 63.100 -0.519 0.000 0.776 369 P CB 0.867 32.130 31.700 -0.729 0.000 0.881 370 M N 0.706 119.991 119.600 -0.524 0.000 2.788 370 M HA 0.422 4.902 4.480 0.001 0.000 0.291 370 M C 0.149 176.335 176.300 -0.190 0.000 1.213 370 M CA -0.766 54.391 55.300 -0.240 0.000 0.768 370 M CB 0.519 33.055 32.600 -0.106 0.000 1.766 370 M HN -0.101 nan 8.290 nan 0.000 0.460 371 L N 0.952 122.248 121.223 0.120 0.000 2.093 371 L HA -0.097 4.243 4.340 0.001 0.000 0.208 371 L C 2.857 179.770 176.870 0.072 0.000 1.085 371 L CA 2.228 57.194 54.840 0.211 0.000 0.755 371 L CB -0.831 41.322 42.059 0.157 0.000 0.904 371 L HN 1.014 nan 8.230 nan 0.000 0.435 372 S N -1.553 114.148 115.700 0.003 0.000 2.469 372 S HA -0.164 4.306 4.470 0.001 0.000 0.238 372 S C 1.486 176.061 174.600 -0.042 0.000 0.998 372 S CA 1.071 59.262 58.200 -0.015 0.000 0.957 372 S CB -0.500 62.684 63.200 -0.026 0.000 0.764 372 S HN 0.406 nan 8.310 nan 0.000 0.514 373 D N 1.460 121.802 120.400 -0.097 0.000 2.348 373 D HA 0.102 4.743 4.640 0.001 0.000 0.216 373 D C 0.342 176.598 176.300 -0.074 0.000 0.970 373 D CA 0.288 54.212 54.000 -0.127 0.000 0.889 373 D CB -0.269 40.380 40.800 -0.250 0.000 0.912 373 D HN 0.444 nan 8.370 nan 0.000 0.524 374 L N 2.048 123.262 121.223 -0.015 0.000 2.574 374 L HA 0.057 4.397 4.340 0.001 0.000 0.281 374 L C 1.811 178.685 176.870 0.008 0.000 1.212 374 L CA -0.204 54.651 54.840 0.025 0.000 1.082 374 L CB 0.138 42.243 42.059 0.076 0.000 1.362 374 L HN -0.085 nan 8.230 nan 0.000 0.451 375 R N 2.058 122.554 120.500 -0.007 0.000 2.433 375 R HA -0.233 4.107 4.340 0.001 0.000 0.183 375 R C 1.793 178.094 176.300 0.002 0.000 0.879 375 R CA 2.351 58.447 56.100 -0.007 0.000 0.951 375 R CB 0.029 30.323 30.300 -0.011 0.000 0.654 375 R HN 0.688 nan 8.270 nan 0.000 0.504 376 E N 1.067 121.269 120.200 0.003 0.000 2.048 376 E HA -0.158 4.193 4.350 0.001 0.000 0.202 376 E C 0.830 177.439 176.600 0.014 0.000 1.021 376 E CA 1.423 57.828 56.400 0.008 0.000 0.825 376 E CB -0.941 28.764 29.700 0.008 0.000 0.756 376 E HN 0.481 nan 8.360 nan 0.000 0.454 377 S N 0.333 116.044 115.700 0.018 0.000 2.811 377 S HA 0.175 4.645 4.470 0.001 0.000 0.325 377 S C 1.044 175.663 174.600 0.031 0.000 1.224 377 S CA -0.233 57.985 58.200 0.029 0.000 1.125 377 S CB 0.746 63.968 63.200 0.037 0.000 0.867 377 S HN 0.446 nan 8.310 nan 0.000 0.512 378 G N 2.304 111.122 108.800 0.030 0.000 2.692 378 G HA2 -0.006 3.954 3.960 0.001 0.000 0.209 378 G HA3 -0.006 3.954 3.960 0.001 0.000 0.209 378 G C 1.012 175.933 174.900 0.036 0.000 1.166 378 G CA -0.142 44.976 45.100 0.029 0.000 0.844 378 G HN 0.636 nan 8.290 nan 0.000 0.596 379 Q N 0.327 120.149 119.800 0.036 0.000 2.518 379 Q HA 0.187 4.527 4.340 0.001 0.000 0.217 379 Q C 1.749 177.787 176.000 0.062 0.000 0.974 379 Q CA 0.027 55.855 55.803 0.041 0.000 0.971 379 Q CB -0.245 28.512 28.738 0.031 0.000 0.988 379 Q HN 0.357 nan 8.270 nan 0.000 0.536 380 L N 0.055 121.320 121.223 0.069 0.000 2.117 380 L HA -0.047 4.294 4.340 0.001 0.000 0.200 380 L C 1.785 178.713 176.870 0.096 0.000 1.110 380 L CA 2.280 57.181 54.840 0.100 0.000 0.774 380 L CB -1.101 41.007 42.059 0.081 0.000 0.934 380 L HN 0.540 nan 8.230 nan 0.000 0.456 381 E N -0.754 119.484 120.200 0.064 0.000 2.273 381 E HA -0.301 4.049 4.350 0.001 0.000 0.198 381 E C 1.831 178.459 176.600 0.047 0.000 1.002 381 E CA 1.559 57.986 56.400 0.045 0.000 0.828 381 E CB -0.306 29.424 29.700 0.050 0.000 0.747 381 E HN 0.600 nan 8.360 nan 0.000 0.491 382 Q N 0.109 119.944 119.800 0.058 0.000 2.187 382 Q HA -0.063 4.278 4.340 0.001 0.000 0.199 382 Q C 1.223 177.268 176.000 0.075 0.000 0.957 382 Q CA 1.245 57.081 55.803 0.055 0.000 0.857 382 Q CB 0.357 29.123 28.738 0.046 0.000 0.929 382 Q HN 0.307 nan 8.270 nan 0.000 0.453 383 D N -0.127 120.340 120.400 0.112 0.000 2.350 383 D HA 0.115 4.755 4.640 0.001 0.000 0.213 383 D C -0.193 176.287 176.300 0.300 0.000 1.031 383 D CA 0.141 54.235 54.000 0.157 0.000 0.861 383 D CB 0.321 41.193 40.800 0.119 0.000 0.926 383 D HN 0.129 nan 8.370 nan 0.000 0.520 384 A N 0.664 123.608 122.820 0.206 0.000 2.354 384 A HA 0.254 4.574 4.320 0.001 0.000 0.269 384 A C 0.480 178.064 177.584 0.001 0.000 1.109 384 A CA -0.297 51.769 52.037 0.048 0.000 0.800 384 A CB 0.817 19.716 19.000 -0.169 0.000 1.045 384 A HN -0.200 nan 8.150 nan 0.000 0.489 385 D N 0.489 120.858 120.400 -0.052 0.000 2.338 385 D HA 0.153 4.793 4.640 0.001 0.000 0.224 385 D C 0.121 176.359 176.300 -0.102 0.000 0.967 385 D CA 1.217 55.203 54.000 -0.024 0.000 0.896 385 D CB 0.176 40.989 40.800 0.021 0.000 1.028 385 D HN 0.486 nan 8.370 nan 0.000 0.493 386 I N 1.732 122.172 120.570 -0.217 0.000 2.782 386 I HA 0.248 4.418 4.170 0.001 0.000 0.279 386 I C -0.608 175.317 176.117 -0.320 0.000 1.247 386 I CA -0.425 60.706 61.300 -0.282 0.000 1.062 386 I CB 1.309 39.117 38.000 -0.320 0.000 1.421 386 I HN -0.233 nan 8.210 nan 0.000 0.558 387 I N 5.100 125.477 120.570 -0.322 0.000 2.581 387 I HA 0.027 4.198 4.170 0.001 0.000 0.285 387 I C 0.526 176.312 176.117 -0.551 0.000 1.129 387 I CA 0.483 61.509 61.300 -0.457 0.000 1.397 387 I CB 0.277 37.999 38.000 -0.463 0.000 1.399 387 I HN 0.612 nan 8.210 nan 0.000 0.537 388 E N 7.073 126.948 120.200 -0.541 0.000 2.220 388 E HA 0.432 4.782 4.350 0.001 0.000 0.256 388 E C -1.335 175.018 176.600 -0.411 0.000 0.881 388 E CA -0.734 55.409 56.400 -0.429 0.000 0.766 388 E CB 1.078 30.666 29.700 -0.187 0.000 1.187 388 E HN 0.195 nan 8.360 nan 0.000 0.419 389 F N 2.006 121.898 119.950 -0.097 0.000 2.371 389 F HA 0.365 4.892 4.527 0.001 0.000 0.329 389 F C 0.085 175.800 175.800 -0.142 0.000 1.107 389 F CA -0.945 56.995 58.000 -0.099 0.000 1.137 389 F CB 0.511 39.470 39.000 -0.069 0.000 1.214 389 F HN 0.385 nan 8.300 nan 0.000 0.536 390 L N 2.305 123.562 121.223 0.057 0.000 2.325 390 L HA 0.422 4.763 4.340 0.001 0.000 0.278 390 L C -1.299 175.613 176.870 0.071 0.000 1.023 390 L CA -0.853 53.935 54.840 -0.086 0.000 0.811 390 L CB 1.354 43.267 42.059 -0.243 0.000 1.249 390 L HN 0.536 nan 8.230 nan 0.000 0.431 391 Y N 2.913 123.158 120.300 -0.091 0.000 2.315 391 Y HA 0.494 5.045 4.550 0.001 0.000 0.324 391 Y C -0.652 175.238 175.900 -0.017 0.000 1.062 391 Y CA -0.801 57.287 58.100 -0.020 0.000 1.159 391 Y CB 1.042 39.508 38.460 0.009 0.000 1.145 391 Y HN 0.519 nan 8.280 nan 0.000 0.442 392 R N 4.145 124.339 120.500 -0.510 0.000 2.207 392 R HA 0.126 4.466 4.340 0.001 0.000 0.334 392 R C 0.206 176.105 176.300 -0.669 0.000 1.013 392 R CA -0.261 55.564 56.100 -0.458 0.000 0.858 392 R CB 0.918 31.032 30.300 -0.311 0.000 1.094 392 R HN 0.812 nan 8.270 nan 0.000 0.457 393 D N 1.697 121.800 120.400 -0.495 0.000 2.183 393 D HA -0.144 4.497 4.640 0.001 0.000 0.203 393 D C 0.753 177.025 176.300 -0.047 0.000 0.969 393 D CA 1.125 54.978 54.000 -0.244 0.000 0.842 393 D CB 0.363 41.201 40.800 0.063 0.000 0.957 393 D HN 0.562 nan 8.370 nan 0.000 0.484 394 D N -1.067 119.301 120.400 -0.054 0.000 2.332 394 D HA -0.142 4.498 4.640 0.001 0.000 0.244 394 D C 1.175 177.463 176.300 -0.021 0.000 1.136 394 D CA -0.010 53.980 54.000 -0.017 0.000 0.884 394 D CB -0.614 40.182 40.800 -0.006 0.000 0.906 394 D HN 0.398 nan 8.370 nan 0.000 0.520 395 Y N -0.005 120.159 120.300 -0.226 0.000 2.464 395 Y HA 0.075 4.626 4.550 0.001 0.000 0.288 395 Y C 1.082 176.761 175.900 -0.369 0.000 1.133 395 Y CA 0.631 58.517 58.100 -0.357 0.000 1.223 395 Y CB 0.120 38.234 38.460 -0.578 0.000 1.187 395 Y HN -0.174 nan 8.280 nan 0.000 0.539 396 Y N -0.562 119.698 120.300 -0.067 0.000 2.510 396 Y HA 0.169 4.719 4.550 0.001 0.000 0.273 396 Y C 0.129 175.985 175.900 -0.074 0.000 1.119 396 Y CA 0.361 58.404 58.100 -0.095 0.000 1.286 396 Y CB 0.385 38.877 38.460 0.054 0.000 1.061 396 Y HN -0.096 nan 8.280 nan 0.000 0.542 397 D N -0.237 120.208 120.400 0.076 0.000 2.549 397 D HA 0.187 4.828 4.640 0.001 0.000 0.251 397 D C 0.363 176.661 176.300 -0.004 0.000 1.153 397 D CA -0.228 53.798 54.000 0.043 0.000 0.861 397 D CB 1.366 42.211 40.800 0.076 0.000 1.207 397 D HN -0.160 nan 8.370 nan 0.000 0.543 398 K N 1.783 122.169 120.400 -0.023 0.000 2.288 398 K HA -0.015 4.305 4.320 0.001 0.000 0.201 398 K C 0.030 176.622 176.600 -0.013 0.000 1.048 398 K CA 0.697 56.965 56.287 -0.031 0.000 0.956 398 K CB 0.353 32.831 32.500 -0.037 0.000 0.746 398 K HN 0.501 nan 8.250 nan 0.000 0.461 399 E N 1.443 121.642 120.200 -0.001 0.000 3.406 399 E HA 0.079 4.430 4.350 0.001 0.000 0.210 399 E C -0.894 175.714 176.600 0.015 0.000 1.167 399 E CA -0.314 56.089 56.400 0.004 0.000 1.132 399 E CB 0.851 30.553 29.700 0.003 0.000 1.309 399 E HN 0.040 nan 8.360 nan 0.000 0.424 400 S N -0.016 115.694 115.700 0.018 0.000 2.554 400 S HA 0.211 4.681 4.470 0.001 0.000 0.278 400 S C 0.837 175.452 174.600 0.026 0.000 1.242 400 S CA -0.805 57.413 58.200 0.030 0.000 1.051 400 S CB 1.611 64.833 63.200 0.037 0.000 0.986 400 S HN 0.318 nan 8.310 nan 0.000 0.502 401 E N 1.473 121.692 120.200 0.032 0.000 2.418 401 E HA -0.009 4.342 4.350 0.001 0.000 0.197 401 E C -0.094 176.524 176.600 0.030 0.000 1.026 401 E CA 0.504 56.920 56.400 0.027 0.000 0.862 401 E CB 0.068 29.785 29.700 0.028 0.000 0.799 401 E HN 0.554 nan 8.360 nan 0.000 0.518 402 S N 1.519 117.241 115.700 0.036 0.000 2.912 402 S HA 0.113 4.583 4.470 0.001 0.000 0.184 402 S C -0.183 174.433 174.600 0.026 0.000 1.390 402 S CA -0.443 57.779 58.200 0.037 0.000 1.088 402 S CB 0.263 63.495 63.200 0.053 0.000 1.284 402 S HN 0.112 nan 8.310 nan 0.000 0.502 403 K N 2.516 122.927 120.400 0.018 0.000 2.436 403 K HA 0.049 4.370 4.320 0.001 0.000 0.282 403 K C -0.021 176.585 176.600 0.009 0.000 1.044 403 K CA 0.324 56.617 56.287 0.009 0.000 1.028 403 K CB -0.254 32.246 32.500 0.001 0.000 0.919 403 K HN 0.584 nan 8.250 nan 0.000 0.474 404 N N 3.068 121.776 118.700 0.013 0.000 2.756 404 N HA -0.176 4.564 4.740 0.001 0.000 0.248 404 N C -1.197 174.345 175.510 0.053 0.000 1.062 404 N CA 0.097 53.165 53.050 0.029 0.000 0.696 404 N CB -0.443 38.030 38.487 -0.023 0.000 0.946 404 N HN 0.396 nan 8.380 nan 0.000 0.548 405 I N 1.560 122.158 120.570 0.047 0.000 2.439 405 I HA 0.267 4.437 4.170 0.001 0.000 0.283 405 I C 0.376 176.512 176.117 0.031 0.000 1.023 405 I CA -0.560 60.772 61.300 0.053 0.000 1.100 405 I CB 1.595 39.624 38.000 0.049 0.000 1.238 405 I HN -0.201 nan 8.210 nan 0.000 0.445 406 V N 6.817 126.759 119.914 0.045 0.000 2.498 406 V HA 0.235 4.356 4.120 0.001 0.000 0.279 406 V C 0.512 176.613 176.094 0.011 0.000 1.048 406 V CA -0.608 61.688 62.300 -0.008 0.000 0.967 406 V CB 1.365 33.198 31.823 0.017 0.000 0.988 406 V HN 0.788 nan 8.190 nan 0.000 0.473 407 E N 4.377 124.590 120.200 0.022 0.000 2.102 407 E HA 0.489 4.839 4.350 0.001 0.000 0.263 407 E C -1.173 175.407 176.600 -0.033 0.000 0.894 407 E CA -0.749 55.666 56.400 0.027 0.000 0.746 407 E CB 1.650 31.412 29.700 0.102 0.000 1.129 407 E HN 0.344 nan 8.360 nan 0.000 0.416 408 V N 5.638 125.469 119.914 -0.138 0.000 2.446 408 V HA 0.088 4.208 4.120 0.001 0.000 0.276 408 V C 0.258 176.304 176.094 -0.080 0.000 1.030 408 V CA 0.062 62.239 62.300 -0.205 0.000 1.033 408 V CB -0.137 31.505 31.823 -0.301 0.000 0.993 408 V HN 0.706 nan 8.190 nan 0.000 0.477 409 I N 6.482 127.028 120.570 -0.040 0.000 2.337 409 I HA 0.322 4.492 4.170 0.001 0.000 0.285 409 I C -0.329 175.760 176.117 -0.046 0.000 1.041 409 I CA -0.546 60.759 61.300 0.007 0.000 1.199 409 I CB 1.164 39.219 38.000 0.092 0.000 1.370 409 I HN 0.404 nan 8.210 nan 0.000 0.470 410 I N 5.600 126.140 120.570 -0.049 0.000 2.389 410 I HA 0.071 4.242 4.170 0.001 0.000 0.295 410 I C 1.358 177.441 176.117 -0.057 0.000 1.117 410 I CA 0.652 61.902 61.300 -0.083 0.000 1.317 410 I CB 1.100 39.085 38.000 -0.025 0.000 1.431 410 I HN 0.660 nan 8.210 nan 0.000 0.521 411 A N 6.105 128.848 122.820 -0.128 0.000 2.147 411 A HA 0.137 4.457 4.320 0.001 0.000 0.211 411 A C 1.039 178.606 177.584 -0.029 0.000 1.160 411 A CA 0.440 52.458 52.037 -0.031 0.000 0.781 411 A CB 0.070 19.108 19.000 0.063 0.000 0.842 411 A HN 0.570 nan 8.150 nan 0.000 0.475 412 K N 0.041 120.395 120.400 -0.076 0.000 2.553 412 K HA 0.362 4.683 4.320 0.001 0.000 0.250 412 K C -2.094 174.513 176.600 0.011 0.000 0.953 412 K CA -0.599 55.674 56.287 -0.023 0.000 0.800 412 K CB 1.047 33.518 32.500 -0.049 0.000 1.243 412 K HN 0.214 nan 8.250 nan 0.000 0.435 413 H N 4.163 123.221 119.070 -0.019 0.000 3.013 413 H HA 0.268 4.824 4.556 0.001 0.000 0.326 413 H C 0.062 175.395 175.328 0.009 0.000 0.973 413 H CA -0.497 55.551 56.048 0.001 0.000 1.369 413 H CB 1.405 31.178 29.762 0.018 0.000 1.598 413 H HN 0.756 nan 8.280 nan 0.000 0.518 414 R N 2.091 122.769 120.500 0.298 0.000 2.073 414 R HA -0.073 4.267 4.340 0.001 0.000 0.229 414 R C -0.044 176.312 176.300 0.092 0.000 1.120 414 R CA 1.871 58.059 56.100 0.147 0.000 0.967 414 R CB 0.320 30.686 30.300 0.110 0.000 0.862 414 R HN 0.634 nan 8.270 nan 0.000 0.436 415 D N -1.552 118.921 120.400 0.122 0.000 2.525 415 D HA 0.230 4.870 4.640 0.001 0.000 0.229 415 D C 0.210 176.330 176.300 -0.299 0.000 1.202 415 D CA -0.286 53.696 54.000 -0.030 0.000 0.828 415 D CB 1.042 41.867 40.800 0.042 0.000 1.008 415 D HN 0.220 nan 8.370 nan 0.000 0.493 416 G N -0.116 108.310 108.800 -0.623 0.000 2.619 416 G HA2 0.554 4.514 3.960 0.001 0.000 0.305 416 G HA3 0.554 4.514 3.960 0.001 0.000 0.305 416 G C -3.146 171.502 174.900 -0.420 0.000 1.330 416 G CA -1.194 43.388 45.100 -0.863 0.000 0.789 416 G HN -0.011 nan 8.290 nan 0.000 0.487 417 P HA 0.575 nan 4.420 nan 0.000 0.283 417 P C 0.241 177.600 177.300 0.098 0.000 1.278 417 P CA -0.522 62.569 63.100 -0.016 0.000 0.834 417 P CB 1.850 33.552 31.700 0.003 0.000 1.150 418 V N -3.381 116.579 119.914 0.076 0.000 3.488 418 V HA 0.994 5.114 4.120 0.001 0.000 0.291 418 V C 0.351 176.480 176.094 0.059 0.000 1.163 418 V CA -0.138 62.209 62.300 0.079 0.000 0.971 418 V CB 0.078 31.933 31.823 0.053 0.000 1.245 418 V HN 1.047 nan 8.190 nan 0.000 0.456 419 G N -1.004 107.821 108.800 0.042 0.000 2.355 419 G HA2 0.301 4.261 3.960 0.001 0.000 0.619 419 G HA3 0.301 4.261 3.960 0.001 0.000 0.619 419 G C -0.698 174.217 174.900 0.026 0.000 1.337 419 G CA -0.300 44.819 45.100 0.032 0.000 0.993 419 G HN 1.141 nan 8.290 nan 0.000 0.599 420 T N 0.078 114.644 114.554 0.020 0.000 2.794 420 T HA 0.635 4.986 4.350 0.001 0.000 0.280 420 T C -0.012 174.697 174.700 0.015 0.000 0.987 420 T CA -0.459 61.650 62.100 0.015 0.000 0.993 420 T CB 1.797 70.674 68.868 0.014 0.000 0.939 420 T HN 0.926 nan 8.240 nan 0.000 0.449 421 V N 2.966 122.882 119.914 0.004 0.000 2.495 421 V HA 0.474 4.595 4.120 0.001 0.000 0.298 421 V C 0.021 176.110 176.094 -0.009 0.000 1.031 421 V CA -0.774 61.528 62.300 0.004 0.000 0.871 421 V CB 1.972 33.797 31.823 0.002 0.000 0.988 421 V HN 0.964 nan 8.190 nan 0.000 0.432 422 S N 5.840 121.549 115.700 0.014 0.000 2.489 422 S HA 0.814 5.284 4.470 0.001 0.000 0.291 422 S C -0.544 174.078 174.600 0.036 0.000 1.151 422 S CA -0.504 57.712 58.200 0.025 0.000 1.082 422 S CB 0.982 64.207 63.200 0.042 0.000 1.019 422 S HN 0.504 nan 8.310 nan 0.000 0.492 423 L N 1.607 122.862 121.223 0.054 0.000 2.409 423 L HA 0.705 5.045 4.340 0.001 0.000 0.262 423 L C -0.245 176.719 176.870 0.158 0.000 0.992 423 L CA -1.125 53.787 54.840 0.119 0.000 0.817 423 L CB 1.860 43.990 42.059 0.119 0.000 1.350 423 L HN 0.687 nan 8.230 nan 0.000 0.411 424 A N 1.872 124.787 122.820 0.158 0.000 2.309 424 A HA 0.481 4.801 4.320 0.001 0.000 0.290 424 A C -1.013 176.614 177.584 0.072 0.000 1.206 424 A CA -0.065 52.034 52.037 0.104 0.000 0.850 424 A CB -0.011 19.032 19.000 0.071 0.000 1.118 424 A HN 0.467 nan 8.150 nan 0.000 0.523 425 F N 5.175 125.014 119.950 -0.185 0.000 2.391 425 F HA 0.474 5.002 4.527 0.001 0.000 0.359 425 F C -0.233 175.386 175.800 -0.302 0.000 1.122 425 F CA -1.574 56.169 58.000 -0.429 0.000 1.120 425 F CB 0.845 39.580 39.000 -0.440 0.000 1.142 425 F HN 0.409 nan 8.300 nan 0.000 0.483 426 I N 7.884 127.935 120.570 -0.864 0.000 2.276 426 I HA 0.131 4.301 4.170 0.001 0.000 0.290 426 I C 1.120 176.551 176.117 -1.142 0.000 1.109 426 I CA -0.193 60.647 61.300 -0.767 0.000 1.229 426 I CB 0.613 38.353 38.000 -0.433 0.000 1.452 426 I HN 0.704 nan 8.210 nan 0.000 0.497 427 K N 3.417 123.163 120.400 -1.090 0.000 2.173 427 K HA -0.208 4.112 4.320 0.001 0.000 0.207 427 K C 1.306 177.596 176.600 -0.515 0.000 1.046 427 K CA 1.638 57.438 56.287 -0.811 0.000 0.929 427 K CB 0.199 32.508 32.500 -0.317 0.000 0.720 427 K HN 0.575 nan 8.250 nan 0.000 0.453 428 E N -0.682 119.168 120.200 -0.584 0.000 2.216 428 E HA -0.106 4.245 4.350 0.001 0.000 0.192 428 E C 1.082 177.494 176.600 -0.314 0.000 0.988 428 E CA 0.880 56.983 56.400 -0.495 0.000 0.834 428 E CB 0.161 29.447 29.700 -0.690 0.000 0.772 428 E HN 0.529 nan 8.360 nan 0.000 0.479 429 Y N -0.973 119.209 120.300 -0.197 0.000 2.445 429 Y HA 0.306 4.856 4.550 0.001 0.000 0.247 429 Y C 1.350 177.187 175.900 -0.105 0.000 1.129 429 Y CA -0.292 57.732 58.100 -0.127 0.000 1.251 429 Y CB 1.252 39.649 38.460 -0.105 0.000 1.176 429 Y HN 0.021 nan 8.280 nan 0.000 0.522 430 G N 2.129 110.865 108.800 -0.107 0.000 2.273 430 G HA2 -0.307 3.653 3.960 0.001 0.000 0.280 430 G HA3 -0.307 3.653 3.960 0.001 0.000 0.280 430 G C -0.443 174.528 174.900 0.118 0.000 1.047 430 G CA 0.291 45.399 45.100 0.014 0.000 0.869 430 G HN 0.372 nan 8.290 nan 0.000 0.502 431 N N -0.695 117.976 118.700 -0.047 0.000 2.417 431 N HA 0.747 5.487 4.740 0.001 0.000 0.300 431 N C -0.765 174.762 175.510 0.028 0.000 1.102 431 N CA -0.641 52.485 53.050 0.126 0.000 0.886 431 N CB 0.852 39.424 38.487 0.142 0.000 1.203 431 N HN 0.002 nan 8.380 nan 0.000 0.496 432 F N 0.887 121.023 119.950 0.310 0.000 2.482 432 F HA 0.458 4.986 4.527 0.001 0.000 0.331 432 F C 0.164 176.167 175.800 0.338 0.000 1.115 432 F CA -0.756 57.473 58.000 0.382 0.000 0.955 432 F CB 1.715 41.049 39.000 0.556 0.000 1.136 432 F HN -0.001 nan 8.300 nan 0.000 0.452 433 V N 3.156 123.300 119.914 0.384 0.000 2.715 433 V HA 0.368 4.489 4.120 0.001 0.000 0.310 433 V C -0.200 176.060 176.094 0.278 0.000 1.054 433 V CA -1.228 61.238 62.300 0.277 0.000 0.928 433 V CB 1.771 33.688 31.823 0.156 0.000 1.007 433 V HN 0.652 nan 8.190 nan 0.000 0.437 434 N N 2.873 121.717 118.700 0.241 0.000 2.467 434 N HA 0.605 5.345 4.740 0.001 0.000 0.262 434 N C -0.580 175.009 175.510 0.133 0.000 1.234 434 N CA -0.229 52.944 53.050 0.205 0.000 0.952 434 N CB 1.727 40.318 38.487 0.172 0.000 1.158 434 N HN 0.469 nan 8.380 nan 0.000 0.463 435 L N -0.282 121.007 121.223 0.110 0.000 2.192 435 L HA 0.354 4.694 4.340 0.001 0.000 0.250 435 L C 0.587 177.494 176.870 0.062 0.000 1.114 435 L CA -0.945 53.942 54.840 0.078 0.000 1.065 435 L CB 0.345 42.447 42.059 0.071 0.000 1.609 435 L HN 0.402 nan 8.230 nan 0.000 0.495 436 E N 0.000 120.229 120.200 0.049 0.000 2.725 436 E HA 0.000 4.350 4.350 0.001 0.000 0.291 436 E CA 0.000 56.424 56.400 0.039 0.000 0.976 436 E CB 0.000 29.722 29.700 0.036 0.000 0.812 436 E HN 0.000 nan 8.360 nan 0.000 0.440