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 2b4x_1_L DATA FIRST_RESID 5 DATA SEQUENCE VDIcTAKPRD IPMNPMcIYR SPXXXXXXXX XXXXXXXXAT NRRVWELSKA DATA SEQUENCE NSRFATTFYQ HLADSKNDND NIFLSPLSIS TAFAMTKLGA cNDTLQQLME DATA SEQUENCE VFKFDTISEK TSDQIHFFFA KLNcRLYRKA NKSSKLVSAN RLFGDKSLTF DATA SEQUENCE NETYQDISEL VYGAKLQPLD FKENAEQSRA AINKWVSNKT EGRITDVIPS DATA SEQUENCE EAINELTVLV LVNTIYFKGL WKSKFSPENT RKELFYKADG EScSASMMYQ DATA SEQUENCE EGKFRYRRVA EGTQVLELPF KGDDITMVLI LPKPEKSLAK VEKELTPEVL DATA SEQUENCE QEWLDELEEM MLVVHMPRFR IEDGFSLKEQ LQDMGLVDLF SPEKSKLPGI DATA SEQUENCE VAEGRDDLYV SDAFHKAFLE VNEEGSEAAA STAVVIAGRS LXPNRVTFKA DATA SEQUENCE NRPFLVFIRE VPLNTIIFMG RVANPcV 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 5 V HA 0.000 nan 4.120 nan 0.000 0.244 5 V C 0.000 176.095 176.094 0.002 0.000 1.182 5 V CA 0.000 62.300 62.300 -0.000 0.000 1.235 5 V CB 0.000 31.824 31.823 0.001 0.000 1.184 6 D N 1.810 122.216 120.400 0.009 0.000 2.339 6 D HA 0.428 5.072 4.640 0.006 0.000 0.241 6 D C 0.885 177.195 176.300 0.017 0.000 1.183 6 D CA -0.312 53.694 54.000 0.011 0.000 0.859 6 D CB 1.374 42.184 40.800 0.017 0.000 1.067 6 D HN 0.401 nan 8.370 nan 0.000 0.484 7 I N 0.858 121.430 120.570 0.003 0.000 2.567 7 I HA -0.234 3.940 4.170 0.006 0.000 0.257 7 I C 2.046 178.159 176.117 -0.006 0.000 1.184 7 I CA 0.848 62.148 61.300 0.000 0.000 1.451 7 I CB -0.427 37.549 38.000 -0.040 0.000 1.089 7 I HN 0.411 nan 8.210 nan 0.000 0.441 8 c N -0.295 118.301 118.600 -0.006 0.000 2.675 8 c HA -0.098 4.475 4.570 0.006 0.000 0.285 8 c C 2.882 176.981 174.090 0.016 0.000 1.282 8 c CA 1.282 57.602 56.329 -0.015 0.000 1.708 8 c CB -1.213 41.297 42.510 0.001 0.000 2.134 8 c HN 0.448 nan 8.230 nan 0.000 0.494 9 T N 1.573 116.148 114.554 0.035 0.000 2.897 9 T HA 0.018 4.371 4.350 0.006 0.000 0.271 9 T C 0.994 175.746 174.700 0.088 0.000 1.084 9 T CA 0.903 63.035 62.100 0.053 0.000 1.123 9 T CB -0.541 68.352 68.868 0.041 0.000 0.865 9 T HN 0.667 nan 8.240 nan 0.000 0.496 10 A N 1.504 124.387 122.820 0.104 0.000 2.583 10 A HA 0.464 4.788 4.320 0.006 0.000 0.231 10 A C 0.671 178.403 177.584 0.248 0.000 1.065 10 A CA 0.389 52.516 52.037 0.150 0.000 0.760 10 A CB -0.127 18.980 19.000 0.178 0.000 1.001 10 A HN 0.557 nan 8.150 nan 0.000 0.509 11 K N 1.736 122.226 120.400 0.150 0.000 2.211 11 K HA 0.672 4.995 4.320 0.006 0.000 0.237 11 K C -2.114 174.353 176.600 -0.221 0.000 1.002 11 K CA -1.101 55.250 56.287 0.106 0.000 0.885 11 K CB -0.349 32.168 32.500 0.029 0.000 1.136 11 K HN 0.471 nan 8.250 nan 0.000 0.448 12 P HA -0.216 nan 4.420 nan 0.000 0.214 12 P C 1.893 178.862 177.300 -0.551 0.000 1.163 12 P CA 2.469 64.994 63.100 -0.959 0.000 0.889 12 P CB 0.153 31.544 31.700 -0.516 0.000 0.790 13 R N 0.287 120.618 120.500 -0.281 0.000 2.241 13 R HA -0.150 4.193 4.340 0.006 0.000 0.224 13 R C 1.764 177.976 176.300 -0.146 0.000 1.101 13 R CA 1.940 57.934 56.100 -0.176 0.000 0.995 13 R CB -2.072 28.166 30.300 -0.102 0.000 0.870 13 R HN 0.319 nan 8.270 nan 0.000 0.463 14 D N -0.194 120.117 120.400 -0.148 0.000 2.149 14 D HA 0.057 4.700 4.640 0.006 0.000 0.206 14 D C 1.282 177.529 176.300 -0.089 0.000 0.967 14 D CA 1.363 55.311 54.000 -0.086 0.000 0.848 14 D CB -0.556 40.221 40.800 -0.038 0.000 0.998 14 D HN 0.492 nan 8.370 nan 0.000 0.474 15 I N 3.458 123.949 120.570 -0.131 0.000 2.752 15 I HA 0.003 4.177 4.170 0.006 0.000 0.286 15 I C -0.669 175.389 176.117 -0.099 0.000 1.180 15 I CA -0.779 60.471 61.300 -0.084 0.000 1.404 15 I CB -0.704 37.263 38.000 -0.056 0.000 1.389 15 I HN -0.034 nan 8.210 nan 0.000 0.549 16 P HA 0.000 nan 4.420 nan 0.000 0.225 16 P C 1.018 178.290 177.300 -0.047 0.000 1.156 16 P CA 1.320 64.389 63.100 -0.052 0.000 0.787 16 P CB -0.297 31.380 31.700 -0.038 0.000 0.802 17 M N 0.365 119.940 119.600 -0.042 0.000 2.472 17 M HA 0.091 4.575 4.480 0.006 0.000 0.497 17 M C 0.613 176.899 176.300 -0.023 0.000 1.560 17 M CA 1.745 57.026 55.300 -0.032 0.000 0.894 17 M CB -2.653 29.938 32.600 -0.016 0.000 1.983 17 M HN 0.441 nan 8.290 nan 0.000 0.521 18 N N 4.225 122.916 118.700 -0.015 0.000 2.752 18 N HA 0.621 5.365 4.740 0.006 0.000 0.260 18 N C -1.428 174.088 175.510 0.009 0.000 1.562 18 N CA -0.668 52.381 53.050 -0.003 0.000 0.788 18 N CB -0.071 38.411 38.487 -0.008 0.000 1.192 18 N HN 0.828 nan 8.380 nan 0.000 0.503 19 P HA -0.066 nan 4.420 nan 0.000 0.282 19 P C 1.274 178.594 177.300 0.034 0.000 1.522 19 P CA 0.068 63.184 63.100 0.027 0.000 1.163 19 P CB 0.496 32.222 31.700 0.044 0.000 1.149 20 M N -1.944 117.680 119.600 0.040 0.000 2.653 20 M HA 0.169 4.653 4.480 0.006 0.000 0.259 20 M C -0.680 175.644 176.300 0.040 0.000 1.244 20 M CA 0.756 56.076 55.300 0.033 0.000 1.163 20 M CB 0.537 33.152 32.600 0.024 0.000 1.309 20 M HN 0.143 nan 8.290 nan 0.000 0.509 21 c N 1.480 120.113 118.600 0.055 0.000 2.482 21 c HA 0.658 5.232 4.570 0.006 0.000 0.317 21 c C -0.662 173.488 174.090 0.099 0.000 1.197 21 c CA -1.292 55.079 56.329 0.071 0.000 1.432 21 c CB 1.026 43.578 42.510 0.071 0.000 2.062 21 c HN 0.315 nan 8.230 nan 0.000 0.471 22 I N 2.692 123.322 120.570 0.101 0.000 2.441 22 I HA 0.429 4.602 4.170 0.006 0.000 0.295 22 I C -0.376 175.839 176.117 0.163 0.000 0.994 22 I CA -0.462 60.911 61.300 0.123 0.000 1.144 22 I CB 0.811 38.858 38.000 0.078 0.000 1.314 22 I HN 0.665 nan 8.210 nan 0.000 0.445 23 Y N 5.653 125.992 120.300 0.065 0.000 2.420 23 Y HA 0.801 5.354 4.550 0.006 0.000 0.334 23 Y C 0.026 175.965 175.900 0.066 0.000 1.094 23 Y CA -0.835 57.305 58.100 0.067 0.000 1.126 23 Y CB 0.964 39.471 38.460 0.079 0.000 1.217 23 Y HN 0.606 nan 8.280 nan 0.000 0.462 24 R N 3.222 123.222 120.500 -0.834 0.000 2.409 24 R HA 0.633 4.976 4.340 0.006 0.000 0.313 24 R C -0.464 175.345 176.300 -0.818 0.000 0.953 24 R CA -0.417 55.330 56.100 -0.589 0.000 0.849 24 R CB 0.293 30.423 30.300 -0.283 0.000 1.171 24 R HN 0.811 nan 8.270 nan 0.000 0.458 25 S N 3.751 119.197 115.700 -0.423 0.000 2.576 25 S HA 0.341 4.814 4.470 0.006 0.000 0.272 25 S C -1.322 173.222 174.600 -0.094 0.000 1.352 25 S CA -0.494 57.620 58.200 -0.142 0.000 1.021 25 S CB 0.553 63.790 63.200 0.061 0.000 0.887 25 S HN 0.834 nan 8.310 nan 0.000 0.542 44 T N 0.810 115.485 114.554 0.201 0.000 13.229 44 T HA -0.379 3.974 4.350 0.006 0.000 0.419 44 T C 1.531 176.332 174.700 0.168 0.000 1.441 44 T CA 2.286 64.572 62.100 0.310 0.000 2.359 44 T CB -0.982 68.064 68.868 0.297 0.000 2.807 44 T HN 0.685 nan 8.240 nan 0.000 0.623 45 N N 1.955 120.733 118.700 0.129 0.000 2.348 45 N HA -0.106 4.637 4.740 0.006 0.000 0.185 45 N C 2.205 177.765 175.510 0.084 0.000 1.019 45 N CA 1.889 54.996 53.050 0.096 0.000 0.880 45 N CB -0.400 38.129 38.487 0.069 0.000 0.965 45 N HN 0.758 nan 8.380 nan 0.000 0.437 46 R N 1.199 121.727 120.500 0.047 0.000 2.161 46 R HA 0.110 4.453 4.340 0.006 0.000 0.213 46 R C 2.395 178.726 176.300 0.053 0.000 1.055 46 R CA 1.389 57.506 56.100 0.028 0.000 0.996 46 R CB -1.357 28.932 30.300 -0.018 0.000 0.901 46 R HN 0.458 nan 8.270 nan 0.000 0.456 47 R N 0.137 120.589 120.500 -0.079 0.000 2.080 47 R HA 0.209 4.553 4.340 0.006 0.000 0.222 47 R C 2.535 178.669 176.300 -0.276 0.000 1.107 47 R CA 1.223 57.106 56.100 -0.362 0.000 0.980 47 R CB -1.268 28.407 30.300 -1.041 0.000 0.879 47 R HN 0.310 nan 8.270 nan 0.000 0.439 48 V N -1.021 118.840 119.914 -0.088 0.000 2.469 48 V HA -0.241 3.883 4.120 0.006 0.000 0.251 48 V C 2.130 178.237 176.094 0.022 0.000 1.064 48 V CA 1.613 63.919 62.300 0.009 0.000 1.066 48 V CB -0.607 31.262 31.823 0.075 0.000 0.667 48 V HN 0.791 nan 8.190 nan 0.000 0.461 49 W N 1.440 122.686 121.300 -0.090 0.000 2.418 49 W HA -0.087 4.575 4.660 0.004 0.000 0.292 49 W C 2.487 178.962 176.519 -0.074 0.000 1.213 49 W CA 1.894 59.198 57.345 -0.069 0.000 1.283 49 W CB -0.116 29.312 29.460 -0.054 0.000 1.119 49 W HN 0.316 nan 8.180 nan 0.000 0.542 50 E N 0.571 120.829 120.200 0.096 0.000 2.274 50 E HA -0.146 4.207 4.350 0.006 0.000 0.194 50 E C 1.619 178.134 176.600 -0.141 0.000 0.996 50 E CA 1.443 57.822 56.400 -0.036 0.000 0.840 50 E CB -0.894 28.839 29.700 0.055 0.000 0.772 50 E HN 0.430 nan 8.360 nan 0.000 0.491 51 L N 1.026 122.173 121.223 -0.127 0.000 2.072 51 L HA -0.069 4.274 4.340 0.006 0.000 0.205 51 L C 2.758 179.530 176.870 -0.164 0.000 1.079 51 L CA 2.549 57.344 54.840 -0.075 0.000 0.752 51 L CB -0.345 41.682 42.059 -0.054 0.000 0.906 51 L HN 0.384 nan 8.230 nan 0.000 0.436 52 S N -0.293 115.252 115.700 -0.258 0.000 2.383 52 S HA -0.216 4.258 4.470 0.006 0.000 0.229 52 S C 2.245 176.644 174.600 -0.335 0.000 1.030 52 S CA 1.574 59.594 58.200 -0.300 0.000 1.002 52 S CB -0.942 62.051 63.200 -0.345 0.000 0.829 52 S HN 0.516 nan 8.310 nan 0.000 0.467 53 K N 1.367 121.481 120.400 -0.477 0.000 2.097 53 K HA 0.420 4.744 4.320 0.006 0.000 0.205 53 K C 2.488 178.958 176.600 -0.216 0.000 1.050 53 K CA 1.397 57.428 56.287 -0.428 0.000 0.938 53 K CB -1.573 30.570 32.500 -0.595 0.000 0.718 53 K HN 0.730 nan 8.250 nan 0.000 0.442 54 A N 1.551 124.275 122.820 -0.160 0.000 1.877 54 A HA -0.212 4.111 4.320 0.006 0.000 0.216 54 A C 2.254 179.799 177.584 -0.066 0.000 1.186 54 A CA 1.882 53.871 52.037 -0.079 0.000 0.620 54 A CB -0.606 18.386 19.000 -0.015 0.000 0.822 54 A HN 0.724 nan 8.150 nan 0.000 0.443 55 N N -0.318 118.340 118.700 -0.070 0.000 2.084 55 N HA -0.118 4.626 4.740 0.006 0.000 0.190 55 N C 1.980 177.519 175.510 0.049 0.000 1.030 55 N CA 1.346 54.397 53.050 0.001 0.000 0.849 55 N CB -0.126 38.335 38.487 -0.043 0.000 1.012 55 N HN 0.414 nan 8.380 nan 0.000 0.423 56 S N 0.632 116.309 115.700 -0.038 0.000 2.383 56 S HA -0.148 4.325 4.470 0.006 0.000 0.229 56 S C 1.808 176.397 174.600 -0.019 0.000 1.030 56 S CA 0.950 59.129 58.200 -0.035 0.000 1.002 56 S CB -0.160 62.977 63.200 -0.105 0.000 0.829 56 S HN 0.306 nan 8.310 nan 0.000 0.467 57 R N -0.003 120.477 120.500 -0.033 0.000 2.075 57 R HA -0.087 4.257 4.340 0.006 0.000 0.232 57 R C 2.102 178.400 176.300 -0.004 0.000 1.126 57 R CA 1.447 57.531 56.100 -0.026 0.000 0.963 57 R CB -0.407 29.873 30.300 -0.033 0.000 0.858 57 R HN 0.448 nan 8.270 nan 0.000 0.435 58 F N 1.051 120.941 119.950 -0.100 0.000 2.171 58 F HA -0.110 4.421 4.527 0.006 0.000 0.300 58 F C 1.961 177.750 175.800 -0.019 0.000 1.090 58 F CA 1.359 59.283 58.000 -0.127 0.000 1.293 58 F CB -0.505 38.359 39.000 -0.227 0.000 1.013 58 F HN 0.095 nan 8.300 nan 0.000 0.486 59 A N 0.139 122.877 122.820 -0.136 0.000 1.877 59 A HA -0.214 4.110 4.320 0.006 0.000 0.216 59 A C 2.308 179.861 177.584 -0.052 0.000 1.186 59 A CA 2.753 54.711 52.037 -0.130 0.000 0.620 59 A CB -1.643 17.383 19.000 0.042 0.000 0.822 59 A HN 0.553 nan 8.150 nan 0.000 0.443 60 T N -3.207 111.342 114.554 -0.009 0.000 2.770 60 T HA -0.120 4.233 4.350 0.006 0.000 0.263 60 T C 1.865 176.593 174.700 0.047 0.000 1.039 60 T CA 1.979 64.114 62.100 0.057 0.000 1.142 60 T CB -1.148 67.743 68.868 0.039 0.000 0.868 60 T HN 0.329 nan 8.240 nan 0.000 0.435 61 T N 1.780 116.313 114.554 -0.035 0.000 2.580 61 T HA -0.091 4.262 4.350 0.006 0.000 0.265 61 T C 1.360 176.079 174.700 0.031 0.000 1.063 61 T CA 1.742 63.837 62.100 -0.008 0.000 1.170 61 T CB -0.906 67.943 68.868 -0.031 0.000 0.863 61 T HN 0.408 nan 8.240 nan 0.000 0.418 62 F N 0.828 120.552 119.950 -0.377 0.000 2.087 62 F HA -0.266 4.265 4.527 0.005 0.000 0.299 62 F C 2.247 177.930 175.800 -0.195 0.000 1.100 62 F CA 1.657 59.390 58.000 -0.445 0.000 1.226 62 F CB -0.569 37.800 39.000 -1.053 0.000 0.983 62 F HN 0.236 nan 8.300 nan 0.000 0.479 63 Y N 1.284 121.552 120.300 -0.052 0.000 2.165 63 Y HA -0.306 4.248 4.550 0.006 0.000 0.286 63 Y C 2.422 178.212 175.900 -0.183 0.000 1.155 63 Y CA 2.307 60.362 58.100 -0.074 0.000 1.164 63 Y CB -0.740 37.703 38.460 -0.027 0.000 0.978 63 Y HN 0.280 nan 8.280 nan 0.000 0.513 64 Q N -1.035 118.664 119.800 -0.167 0.000 2.050 64 Q HA -0.226 4.117 4.340 0.006 0.000 0.202 64 Q C 2.105 177.854 176.000 -0.418 0.000 0.980 64 Q CA 1.610 57.241 55.803 -0.286 0.000 0.840 64 Q CB -0.460 28.162 28.738 -0.194 0.000 0.898 64 Q HN 0.651 nan 8.270 nan 0.000 0.424 65 H N 0.057 118.884 119.070 -0.406 0.000 2.422 65 H HA -0.120 4.440 4.556 0.006 0.000 0.298 65 H C 2.066 177.077 175.328 -0.528 0.000 1.098 65 H CA 1.108 56.897 56.048 -0.431 0.000 1.315 65 H CB 0.120 29.596 29.762 -0.476 0.000 1.382 65 H HN 0.152 nan 8.280 nan 0.000 0.523 66 L N 0.601 121.475 121.223 -0.581 0.000 2.240 66 L HA 0.081 4.424 4.340 0.006 0.000 0.211 66 L C 2.410 178.954 176.870 -0.543 0.000 1.106 66 L CA 1.200 55.659 54.840 -0.635 0.000 0.793 66 L CB -0.443 41.172 42.059 -0.739 0.000 0.927 66 L HN 0.107 nan 8.230 nan 0.000 0.446 67 A N -0.963 121.496 122.820 -0.602 0.000 1.874 67 A HA -0.154 4.170 4.320 0.006 0.000 0.214 67 A C 1.407 178.807 177.584 -0.307 0.000 1.189 67 A CA 0.954 52.700 52.037 -0.484 0.000 0.615 67 A CB -0.788 17.893 19.000 -0.532 0.000 0.830 67 A HN 0.454 nan 8.150 nan 0.000 0.443 68 D N 0.142 120.366 120.400 -0.293 0.000 2.817 68 D HA 0.141 4.785 4.640 0.006 0.000 0.226 68 D C 0.781 176.966 176.300 -0.191 0.000 1.080 68 D CA 0.922 54.792 54.000 -0.216 0.000 1.114 68 D CB -0.354 40.309 40.800 -0.227 0.000 1.159 68 D HN 0.317 nan 8.370 nan 0.000 0.449 69 S N -1.453 114.137 115.700 -0.183 0.000 2.436 69 S HA 0.207 4.680 4.470 0.006 0.000 0.207 69 S C 0.305 174.824 174.600 -0.134 0.000 0.847 69 S CA -0.135 57.972 58.200 -0.154 0.000 1.623 69 S CB -0.624 62.467 63.200 -0.183 0.000 1.267 69 S HN 0.395 nan 8.310 nan 0.000 0.591 70 K N 1.328 121.643 120.400 -0.141 0.000 2.444 70 K HA 0.807 5.130 4.320 0.006 0.000 0.252 70 K C -0.806 175.744 176.600 -0.083 0.000 0.993 70 K CA -0.494 55.728 56.287 -0.108 0.000 0.847 70 K CB 0.423 32.847 32.500 -0.127 0.000 1.340 70 K HN 0.286 nan 8.250 nan 0.000 0.446 71 N N 0.718 119.385 118.700 -0.055 0.000 2.492 71 N HA 0.042 4.785 4.740 0.006 0.000 0.262 71 N C -0.281 175.208 175.510 -0.035 0.000 1.202 71 N CA 0.052 53.079 53.050 -0.038 0.000 0.926 71 N CB 1.020 39.495 38.487 -0.020 0.000 1.078 71 N HN 0.571 nan 8.380 nan 0.000 0.454 72 D N 1.619 122.002 120.400 -0.029 0.000 2.389 72 D HA -0.041 4.603 4.640 0.006 0.000 0.250 72 D C -0.105 176.195 176.300 0.000 0.000 1.136 72 D CA 0.713 54.703 54.000 -0.017 0.000 0.945 72 D CB -0.121 40.672 40.800 -0.011 0.000 0.890 72 D HN 0.450 nan 8.370 nan 0.000 0.525 73 N N -0.063 118.638 118.700 0.001 0.000 2.143 73 N HA 0.007 4.750 4.740 0.006 0.000 0.229 73 N C -0.660 174.856 175.510 0.009 0.000 1.294 73 N CA -0.184 52.878 53.050 0.019 0.000 0.883 73 N CB 0.970 39.476 38.487 0.032 0.000 1.148 73 N HN 0.070 nan 8.380 nan 0.000 0.511 74 D N 1.035 121.429 120.400 -0.009 0.000 2.304 74 D HA 0.138 4.782 4.640 0.006 0.000 0.250 74 D C 0.194 176.482 176.300 -0.020 0.000 1.107 74 D CA 0.053 54.044 54.000 -0.015 0.000 0.885 74 D CB 0.943 41.726 40.800 -0.028 0.000 1.192 74 D HN -0.078 nan 8.370 nan 0.000 0.436 75 N N 0.995 119.687 118.700 -0.014 0.000 2.453 75 N HA 0.349 5.093 4.740 0.006 0.000 0.253 75 N C -0.432 175.101 175.510 0.039 0.000 1.252 75 N CA 0.237 53.280 53.050 -0.012 0.000 0.917 75 N CB 0.623 39.104 38.487 -0.010 0.000 1.117 75 N HN 0.331 nan 8.380 nan 0.000 0.442 76 I N 1.239 121.863 120.570 0.090 0.000 2.743 76 I HA 0.375 4.549 4.170 0.006 0.000 0.292 76 I C -1.521 174.806 176.117 0.351 0.000 1.343 76 I CA -0.674 60.729 61.300 0.172 0.000 1.038 76 I CB 1.755 39.823 38.000 0.113 0.000 1.311 76 I HN 0.287 nan 8.210 nan 0.000 0.426 77 F N 7.191 127.269 119.950 0.213 0.000 2.665 77 F HA 0.831 5.361 4.527 0.005 0.000 0.308 77 F C -1.783 174.265 175.800 0.413 0.000 1.112 77 F CA -0.679 57.473 58.000 0.253 0.000 0.972 77 F CB 1.787 40.901 39.000 0.191 0.000 1.295 77 F HN 0.376 nan 8.300 nan 0.000 0.440 78 L N 1.123 122.197 121.223 -0.249 0.000 3.079 78 L HA 0.693 5.037 4.340 0.006 0.000 0.278 78 L C -1.768 175.034 176.870 -0.113 0.000 1.026 78 L CA -0.884 53.989 54.840 0.056 0.000 0.963 78 L CB 1.606 43.787 42.059 0.203 0.000 1.526 78 L HN 0.547 nan 8.230 nan 0.000 0.397 79 S N 0.901 116.633 115.700 0.053 0.000 2.622 79 S HA 0.560 5.033 4.470 0.006 0.000 0.283 79 S C -1.848 172.687 174.600 -0.108 0.000 1.197 79 S CA -1.259 56.839 58.200 -0.170 0.000 1.146 79 S CB 1.022 64.011 63.200 -0.352 0.000 1.007 79 S HN 0.646 nan 8.310 nan 0.000 0.478 80 P HA -0.082 nan 4.420 nan 0.000 0.222 80 P C 1.489 178.855 177.300 0.108 0.000 1.147 80 P CA 0.331 63.433 63.100 0.003 0.000 0.790 80 P CB 0.178 31.898 31.700 0.034 0.000 0.780 81 L N 0.502 121.750 121.223 0.041 0.000 2.027 81 L HA -0.061 4.283 4.340 0.006 0.000 0.206 81 L C 2.718 179.696 176.870 0.180 0.000 1.074 81 L CA 2.028 56.937 54.840 0.116 0.000 0.745 81 L CB -1.641 40.444 42.059 0.043 0.000 0.898 81 L HN -0.078 nan 8.230 nan 0.000 0.433 82 S N -0.588 115.172 115.700 0.101 0.000 2.374 82 S HA -0.210 4.263 4.470 0.006 0.000 0.227 82 S C 2.038 176.751 174.600 0.187 0.000 1.037 82 S CA 1.903 60.193 58.200 0.151 0.000 1.024 82 S CB -0.469 62.840 63.200 0.182 0.000 0.861 82 S HN 0.492 nan 8.310 nan 0.000 0.456 83 I N 0.520 121.199 120.570 0.181 0.000 2.163 83 I HA -0.106 4.068 4.170 0.006 0.000 0.240 83 I C 2.692 178.945 176.117 0.228 0.000 1.081 83 I CA 1.152 62.583 61.300 0.218 0.000 1.353 83 I CB -0.619 37.440 38.000 0.098 0.000 1.054 83 I HN 0.262 nan 8.210 nan 0.000 0.407 84 S N 0.087 115.912 115.700 0.208 0.000 2.420 84 S HA -0.175 4.298 4.470 0.006 0.000 0.237 84 S C 1.966 176.719 174.600 0.256 0.000 1.023 84 S CA 1.872 60.192 58.200 0.200 0.000 0.991 84 S CB -0.274 63.115 63.200 0.314 0.000 0.792 84 S HN 0.482 nan 8.310 nan 0.000 0.488 85 T N 1.786 116.470 114.554 0.216 0.000 2.706 85 T HA 0.065 4.419 4.350 0.006 0.000 0.255 85 T C 2.176 176.704 174.700 -0.287 0.000 1.048 85 T CA 1.067 63.108 62.100 -0.097 0.000 1.153 85 T CB -0.685 68.215 68.868 0.053 0.000 0.865 85 T HN 0.425 nan 8.240 nan 0.000 0.414 86 A N 0.873 123.598 122.820 -0.158 0.000 1.958 86 A HA -0.135 4.188 4.320 0.006 0.000 0.221 86 A C 1.969 179.293 177.584 -0.432 0.000 1.178 86 A CA 1.766 53.640 52.037 -0.272 0.000 0.642 86 A CB -1.116 17.785 19.000 -0.165 0.000 0.816 86 A HN 0.499 nan 8.150 nan 0.000 0.453 87 F N -0.616 119.105 119.950 -0.382 0.000 2.512 87 F HA 0.146 4.677 4.527 0.006 0.000 0.296 87 F C 2.615 178.151 175.800 -0.441 0.000 1.110 87 F CA 0.594 58.290 58.000 -0.508 0.000 1.446 87 F CB -0.180 38.230 39.000 -0.985 0.000 1.092 87 F HN 0.258 nan 8.300 nan 0.000 0.554 88 A N -0.072 122.594 122.820 -0.257 0.000 1.898 88 A HA -0.193 4.130 4.320 0.006 0.000 0.216 88 A C 2.198 179.601 177.584 -0.303 0.000 1.181 88 A CA 1.529 53.414 52.037 -0.252 0.000 0.620 88 A CB -0.645 18.088 19.000 -0.445 0.000 0.819 88 A HN 0.313 nan 8.150 nan 0.000 0.442 89 M N -0.804 118.400 119.600 -0.659 0.000 2.065 89 M HA -0.149 4.334 4.480 0.006 0.000 0.259 89 M C 2.290 178.404 176.300 -0.309 0.000 1.071 89 M CA 2.199 57.080 55.300 -0.697 0.000 1.109 89 M CB -0.751 31.406 32.600 -0.738 0.000 1.313 89 M HN 0.413 nan 8.290 nan 0.000 0.408 90 T N 0.157 114.527 114.554 -0.307 0.000 2.759 90 T HA -0.194 4.159 4.350 0.006 0.000 0.269 90 T C 1.736 176.377 174.700 -0.097 0.000 1.042 90 T CA 1.210 63.179 62.100 -0.218 0.000 1.140 90 T CB -0.288 68.360 68.868 -0.365 0.000 0.864 90 T HN 0.325 nan 8.240 nan 0.000 0.455 91 K N 0.655 121.023 120.400 -0.053 0.000 2.218 91 K HA -0.072 4.251 4.320 0.006 0.000 0.205 91 K C 2.123 178.772 176.600 0.083 0.000 1.046 91 K CA 0.830 57.149 56.287 0.052 0.000 0.933 91 K CB -0.330 32.236 32.500 0.109 0.000 0.728 91 K HN 0.375 nan 8.250 nan 0.000 0.454 92 L N -0.565 120.669 121.223 0.018 0.000 1.989 92 L HA -0.168 4.176 4.340 0.006 0.000 0.211 92 L C 2.340 179.249 176.870 0.066 0.000 1.071 92 L CA 1.726 56.549 54.840 -0.027 0.000 0.749 92 L CB -0.663 41.369 42.059 -0.045 0.000 0.890 92 L HN 0.329 nan 8.230 nan 0.000 0.431 93 G N -0.869 107.962 108.800 0.051 0.000 2.920 93 G HA2 0.250 4.213 3.960 0.006 0.000 0.208 93 G HA3 0.250 4.213 3.960 0.006 0.000 0.208 93 G C 0.608 175.451 174.900 -0.095 0.000 1.159 93 G CA 0.359 45.375 45.100 -0.140 0.000 0.784 93 G HN 0.376 nan 8.290 nan 0.000 0.535 94 A N -0.881 121.918 122.820 -0.035 0.000 2.366 94 A HA 0.590 4.913 4.320 0.006 0.000 0.249 94 A C -0.154 177.437 177.584 0.012 0.000 1.084 94 A CA -0.114 51.913 52.037 -0.016 0.000 0.794 94 A CB 0.614 19.617 19.000 0.005 0.000 1.034 94 A HN 0.592 nan 8.150 nan 0.000 0.491 95 c N 0.655 119.265 118.600 0.016 0.000 3.285 95 c HA 0.579 5.153 4.570 0.006 0.000 0.325 95 c C -0.713 173.402 174.090 0.041 0.000 1.304 95 c CA -0.732 55.617 56.329 0.034 0.000 1.319 95 c CB 0.405 42.928 42.510 0.023 0.000 1.640 95 c HN 1.157 nan 8.230 nan 0.000 0.477 96 N N 3.635 122.371 118.700 0.060 0.000 2.596 96 N HA -0.118 4.625 4.740 0.006 0.000 0.299 96 N C 0.189 175.732 175.510 0.054 0.000 1.361 96 N CA 2.007 55.097 53.050 0.067 0.000 0.708 96 N CB 0.002 38.522 38.487 0.055 0.000 1.039 96 N HN 0.971 nan 8.380 nan 0.000 0.496 97 D N -1.155 119.280 120.400 0.059 0.000 3.671 97 D HA -0.242 4.401 4.640 0.006 0.000 0.204 97 D C 1.108 177.418 176.300 0.018 0.000 1.267 97 D CA 2.499 56.523 54.000 0.040 0.000 2.305 97 D CB -1.198 39.629 40.800 0.044 0.000 1.237 97 D HN 0.610 nan 8.370 nan 0.000 0.443 98 T N -0.077 114.492 114.554 0.025 0.000 2.821 98 T HA -0.097 4.257 4.350 0.006 0.000 0.267 98 T C 1.803 176.510 174.700 0.012 0.000 1.046 98 T CA 1.434 63.547 62.100 0.022 0.000 1.139 98 T CB -0.240 68.638 68.868 0.018 0.000 0.871 98 T HN 0.246 nan 8.240 nan 0.000 0.454 99 L N 1.134 122.363 121.223 0.011 0.000 2.191 99 L HA -0.015 4.329 4.340 0.006 0.000 0.212 99 L C 2.391 179.202 176.870 -0.099 0.000 1.103 99 L CA 1.676 56.520 54.840 0.007 0.000 0.769 99 L CB -0.661 41.431 42.059 0.056 0.000 0.908 99 L HN 0.243 nan 8.230 nan 0.000 0.438 100 Q N -1.206 118.478 119.800 -0.194 0.000 2.061 100 Q HA -0.183 4.160 4.340 0.006 0.000 0.195 100 Q C 2.159 178.009 176.000 -0.250 0.000 0.967 100 Q CA 1.224 56.719 55.803 -0.512 0.000 0.829 100 Q CB -0.153 28.325 28.738 -0.433 0.000 0.900 100 Q HN 0.635 nan 8.270 nan 0.000 0.450 101 Q N 0.386 120.134 119.800 -0.088 0.000 2.112 101 Q HA -0.190 4.154 4.340 0.006 0.000 0.206 101 Q C 2.257 178.294 176.000 0.062 0.000 0.987 101 Q CA 1.610 57.411 55.803 -0.003 0.000 0.858 101 Q CB -0.127 28.634 28.738 0.037 0.000 0.905 101 Q HN 0.418 nan 8.270 nan 0.000 0.420 102 L N -0.302 120.975 121.223 0.090 0.000 2.046 102 L HA -0.187 4.157 4.340 0.006 0.000 0.208 102 L C 2.419 179.460 176.870 0.285 0.000 1.077 102 L CA 0.693 55.660 54.840 0.212 0.000 0.747 102 L CB -0.306 41.841 42.059 0.148 0.000 0.896 102 L HN 0.360 nan 8.230 nan 0.000 0.432 103 M N -0.644 119.045 119.600 0.148 0.000 2.279 103 M HA -0.155 4.328 4.480 0.006 0.000 0.264 103 M C 1.944 178.337 176.300 0.154 0.000 1.062 103 M CA 1.597 57.021 55.300 0.206 0.000 1.099 103 M CB -0.727 31.849 32.600 -0.039 0.000 1.394 103 M HN 0.336 nan 8.290 nan 0.000 0.426 104 E N -0.478 119.757 120.200 0.058 0.000 2.038 104 E HA -0.049 4.305 4.350 0.006 0.000 0.190 104 E C 1.969 178.573 176.600 0.007 0.000 0.967 104 E CA 0.703 57.124 56.400 0.035 0.000 0.816 104 E CB -0.081 29.625 29.700 0.010 0.000 0.784 104 E HN 0.202 nan 8.360 nan 0.000 0.456 105 V N 0.981 120.893 119.914 -0.003 0.000 2.660 105 V HA -0.215 3.909 4.120 0.006 0.000 0.257 105 V C 1.258 177.115 176.094 -0.396 0.000 1.088 105 V CA 1.517 63.730 62.300 -0.146 0.000 1.106 105 V CB -0.546 31.172 31.823 -0.175 0.000 0.686 105 V HN 0.177 nan 8.190 nan 0.000 0.481 106 F N -0.021 119.755 119.950 -0.291 0.000 2.684 106 F HA 0.442 4.972 4.527 0.006 0.000 0.298 106 F C 1.360 176.750 175.800 -0.684 0.000 1.120 106 F CA -0.052 57.534 58.000 -0.690 0.000 1.332 106 F CB -0.713 37.624 39.000 -1.104 0.000 0.986 106 F HN 0.111 nan 8.300 nan 0.000 0.524 107 K N 0.060 120.347 120.400 -0.189 0.000 3.100 107 K HA -0.271 4.052 4.320 0.006 0.000 0.261 107 K C 0.547 177.129 176.600 -0.030 0.000 0.920 107 K CA 1.600 57.842 56.287 -0.076 0.000 0.683 107 K CB -3.156 29.316 32.500 -0.047 0.000 1.349 107 K HN 0.417 nan 8.250 nan 0.000 0.473 108 F N 0.955 120.976 119.950 0.120 0.000 2.615 108 F HA 0.047 4.577 4.527 0.006 0.000 0.297 108 F C 2.259 178.128 175.800 0.115 0.000 1.124 108 F CA 0.835 58.903 58.000 0.114 0.000 1.451 108 F CB 0.378 39.445 39.000 0.111 0.000 1.103 108 F HN 0.662 nan 8.300 nan 0.000 0.569 109 D N -0.742 119.825 120.400 0.280 0.000 2.277 109 D HA -0.127 4.517 4.640 0.006 0.000 0.208 109 D C 1.639 178.046 176.300 0.178 0.000 0.962 109 D CA 1.433 55.579 54.000 0.245 0.000 0.865 109 D CB -1.272 39.665 40.800 0.229 0.000 0.939 109 D HN 0.327 nan 8.370 nan 0.000 0.510 110 T N -2.001 112.635 114.554 0.137 0.000 3.215 110 T HA 0.308 4.662 4.350 0.006 0.000 0.254 110 T C 1.125 175.878 174.700 0.089 0.000 1.149 110 T CA 0.220 62.376 62.100 0.093 0.000 1.042 110 T CB -1.229 67.672 68.868 0.054 0.000 0.966 110 T HN 0.299 nan 8.240 nan 0.000 0.534 111 I N 0.522 121.165 120.570 0.121 0.000 2.713 111 I HA 0.759 4.932 4.170 0.006 0.000 0.300 111 I C 1.765 177.928 176.117 0.077 0.000 1.009 111 I CA -0.429 60.920 61.300 0.083 0.000 1.305 111 I CB 0.430 38.501 38.000 0.120 0.000 1.430 111 I HN 0.327 nan 8.210 nan 0.000 0.546 112 S N 2.296 118.010 115.700 0.023 0.000 2.555 112 S HA -0.127 4.346 4.470 0.006 0.000 0.267 112 S C 1.458 176.112 174.600 0.090 0.000 1.109 112 S CA 2.191 60.416 58.200 0.043 0.000 1.578 112 S CB -0.639 62.564 63.200 0.004 0.000 1.234 112 S HN 2.214 nan 8.310 nan 0.000 0.413 113 E N 0.272 120.550 120.200 0.130 0.000 2.492 113 E HA 0.317 4.671 4.350 0.006 0.000 0.266 113 E C 0.598 177.276 176.600 0.131 0.000 1.047 113 E CA 0.704 57.188 56.400 0.140 0.000 0.968 113 E CB -0.623 29.193 29.700 0.194 0.000 0.960 113 E HN 0.879 nan 8.360 nan 0.000 0.452 114 K N 0.859 121.312 120.400 0.089 0.000 2.570 114 K HA 0.410 4.734 4.320 0.006 0.000 0.210 114 K C 0.634 177.267 176.600 0.055 0.000 1.048 114 K CA 0.527 56.851 56.287 0.061 0.000 1.167 114 K CB -0.027 32.469 32.500 -0.006 0.000 0.892 114 K HN 0.676 nan 8.250 nan 0.000 0.480 115 T N -0.416 114.203 114.554 0.108 0.000 2.842 115 T HA 0.343 4.696 4.350 0.006 0.000 0.308 115 T C 1.096 175.885 174.700 0.149 0.000 1.041 115 T CA 0.115 62.279 62.100 0.107 0.000 0.964 115 T CB 0.632 69.548 68.868 0.080 0.000 0.972 115 T HN 0.308 nan 8.240 nan 0.000 0.460 116 S N 4.172 119.982 115.700 0.182 0.000 2.490 116 S HA -0.235 4.239 4.470 0.006 0.000 0.243 116 S C 1.909 176.575 174.600 0.110 0.000 1.052 116 S CA 2.172 60.468 58.200 0.160 0.000 1.254 116 S CB -0.444 62.875 63.200 0.199 0.000 1.191 116 S HN 1.006 nan 8.310 nan 0.000 0.422 117 D N 1.317 121.824 120.400 0.179 0.000 2.612 117 D HA -0.316 4.328 4.640 0.006 0.000 0.191 117 D C 1.959 178.343 176.300 0.139 0.000 1.061 117 D CA 2.368 56.511 54.000 0.237 0.000 0.912 117 D CB -1.120 39.761 40.800 0.136 0.000 0.891 117 D HN 0.648 nan 8.370 nan 0.000 0.463 118 Q N 0.710 120.557 119.800 0.078 0.000 2.061 118 Q HA -0.124 4.220 4.340 0.006 0.000 0.204 118 Q C 2.506 178.500 176.000 -0.010 0.000 0.984 118 Q CA 1.801 57.606 55.803 0.003 0.000 0.846 118 Q CB -0.994 27.825 28.738 0.135 0.000 0.902 118 Q HN 0.395 nan 8.270 nan 0.000 0.421 119 I N 0.965 121.611 120.570 0.126 0.000 2.065 119 I HA -0.352 3.822 4.170 0.006 0.000 0.236 119 I C 2.359 178.497 176.117 0.035 0.000 1.028 119 I CA 2.108 63.486 61.300 0.130 0.000 1.299 119 I CB -0.916 36.943 38.000 -0.235 0.000 1.015 119 I HN 0.614 nan 8.210 nan 0.000 0.396 120 H N -0.981 118.111 119.070 0.037 0.000 2.407 120 H HA -0.295 4.265 4.556 0.006 0.000 0.293 120 H C 2.195 177.512 175.328 -0.018 0.000 1.122 120 H CA 2.248 58.310 56.048 0.025 0.000 1.232 120 H CB -0.922 28.846 29.762 0.011 0.000 1.361 120 H HN 0.423 nan 8.280 nan 0.000 0.498 121 F N 0.939 120.829 119.950 -0.099 0.000 2.146 121 F HA -0.152 4.379 4.527 0.006 0.000 0.298 121 F C 2.037 177.738 175.800 -0.165 0.000 1.096 121 F CA 0.897 58.757 58.000 -0.232 0.000 1.275 121 F CB -0.525 38.215 39.000 -0.433 0.000 1.008 121 F HN -0.100 nan 8.300 nan 0.000 0.480 122 F N -0.918 119.033 119.950 0.002 0.000 2.186 122 F HA -0.103 4.428 4.527 0.006 0.000 0.299 122 F C 2.229 177.999 175.800 -0.049 0.000 1.090 122 F CA 0.936 58.893 58.000 -0.071 0.000 1.307 122 F CB -1.470 37.571 39.000 0.068 0.000 1.019 122 F HN 0.002 nan 8.300 nan 0.000 0.489 123 F N 0.754 120.747 119.950 0.072 0.000 2.186 123 F HA -0.053 4.478 4.527 0.006 0.000 0.299 123 F C 2.325 178.104 175.800 -0.035 0.000 1.090 123 F CA 0.823 58.863 58.000 0.067 0.000 1.307 123 F CB -0.744 38.327 39.000 0.118 0.000 1.019 123 F HN -0.067 nan 8.300 nan 0.000 0.489 124 A N 0.101 122.962 122.820 0.068 0.000 1.968 124 A HA -0.089 4.235 4.320 0.006 0.000 0.217 124 A C 2.345 179.868 177.584 -0.102 0.000 1.169 124 A CA 2.051 54.027 52.037 -0.102 0.000 0.638 124 A CB -1.160 17.665 19.000 -0.291 0.000 0.812 124 A HN 0.336 nan 8.150 nan 0.000 0.446 125 K N -0.341 119.934 120.400 -0.209 0.000 2.057 125 K HA 0.027 4.350 4.320 0.006 0.000 0.207 125 K C 1.969 178.539 176.600 -0.050 0.000 1.049 125 K CA 1.633 57.814 56.287 -0.177 0.000 0.931 125 K CB -1.193 31.173 32.500 -0.224 0.000 0.714 125 K HN 0.426 nan 8.250 nan 0.000 0.440 126 L N 2.029 123.242 121.223 -0.016 0.000 2.017 126 L HA -0.135 4.209 4.340 0.006 0.000 0.208 126 L C 1.709 178.575 176.870 -0.008 0.000 1.073 126 L CA 1.932 56.753 54.840 -0.032 0.000 0.745 126 L CB -0.520 41.470 42.059 -0.114 0.000 0.894 126 L HN 0.461 nan 8.230 nan 0.000 0.432 127 N N -1.136 117.639 118.700 0.125 0.000 2.364 127 N HA -0.166 4.577 4.740 0.006 0.000 0.183 127 N C 1.811 177.415 175.510 0.157 0.000 1.022 127 N CA 1.482 54.677 53.050 0.241 0.000 0.883 127 N CB -0.639 38.126 38.487 0.463 0.000 0.965 127 N HN 0.450 nan 8.380 nan 0.000 0.438 128 c N 0.921 119.561 118.600 0.067 0.000 2.500 128 c HA 0.099 4.672 4.570 0.006 0.000 0.279 128 c C 2.281 176.378 174.090 0.012 0.000 1.288 128 c CA 0.072 56.428 56.329 0.045 0.000 1.710 128 c CB -0.412 42.101 42.510 0.006 0.000 2.052 128 c HN 0.420 nan 8.230 nan 0.000 0.488 129 R N 1.066 121.555 120.500 -0.018 0.000 2.285 129 R HA 0.115 4.458 4.340 0.006 0.000 0.213 129 R C 1.587 177.843 176.300 -0.074 0.000 1.068 129 R CA 0.676 56.759 56.100 -0.027 0.000 1.004 129 R CB -0.744 29.545 30.300 -0.019 0.000 0.873 129 R HN 0.549 nan 8.270 nan 0.000 0.467 130 L N -1.270 119.851 121.223 -0.169 0.000 2.327 130 L HA 0.051 4.395 4.340 0.006 0.000 0.192 130 L C 1.754 178.439 176.870 -0.308 0.000 1.158 130 L CA 0.627 55.253 54.840 -0.357 0.000 0.813 130 L CB -0.570 41.017 42.059 -0.787 0.000 1.021 130 L HN -0.008 nan 8.230 nan 0.000 0.481 131 Y N 0.193 120.543 120.300 0.083 0.000 2.516 131 Y HA 0.043 4.597 4.550 0.006 0.000 0.291 131 Y C 1.817 177.757 175.900 0.065 0.000 1.131 131 Y CA 0.198 58.349 58.100 0.085 0.000 1.281 131 Y CB -0.628 37.888 38.460 0.092 0.000 1.013 131 Y HN 0.093 nan 8.280 nan 0.000 0.554 132 R N 1.569 122.153 120.500 0.141 0.000 2.522 132 R HA 0.527 4.871 4.340 0.006 0.000 0.290 132 R C -0.454 175.882 176.300 0.060 0.000 1.216 132 R CA -0.630 55.530 56.100 0.099 0.000 1.250 132 R CB -0.652 29.700 30.300 0.086 0.000 1.143 132 R HN 0.238 nan 8.270 nan 0.000 0.553 133 K N 0.228 120.665 120.400 0.062 0.000 2.482 133 K HA 0.651 4.975 4.320 0.006 0.000 0.257 133 K C -0.255 176.372 176.600 0.045 0.000 0.969 133 K CA -0.667 55.648 56.287 0.047 0.000 0.842 133 K CB 2.476 35.003 32.500 0.045 0.000 1.359 133 K HN 0.459 nan 8.250 nan 0.000 0.441 134 A N 2.647 125.490 122.820 0.038 0.000 2.810 134 A HA 0.113 4.436 4.320 0.006 0.000 0.247 134 A C 0.114 177.719 177.584 0.034 0.000 1.576 134 A CA 0.530 52.587 52.037 0.034 0.000 1.294 134 A CB -1.460 17.558 19.000 0.030 0.000 0.976 134 A HN 0.887 nan 8.150 nan 0.000 0.631 135 N N -1.369 117.355 118.700 0.039 0.000 5.488 135 N HA -0.038 4.705 4.740 0.006 0.000 0.373 135 N C -0.143 175.391 175.510 0.041 0.000 1.258 135 N CA 1.814 54.886 53.050 0.037 0.000 2.561 135 N CB -0.492 38.013 38.487 0.029 0.000 0.565 135 N HN 1.074 nan 8.380 nan 0.000 0.714 136 K N -0.203 120.222 120.400 0.042 0.000 3.109 136 K HA 0.457 4.780 4.320 0.006 0.000 0.115 136 K C 0.869 177.499 176.600 0.050 0.000 0.976 136 K CA 1.122 57.440 56.287 0.051 0.000 1.044 136 K CB -1.124 31.414 32.500 0.063 0.000 0.724 136 K HN 1.379 nan 8.250 nan 0.000 0.350 137 S N -0.648 115.071 115.700 0.031 0.000 1.891 137 S HA -0.185 4.289 4.470 0.006 0.000 0.224 137 S C 0.859 175.446 174.600 -0.021 0.000 0.993 137 S CA 1.995 60.205 58.200 0.016 0.000 1.595 137 S CB -1.373 61.851 63.200 0.039 0.000 2.103 137 S HN 1.252 nan 8.310 nan 0.000 0.555 138 S N 2.696 118.395 115.700 -0.002 0.000 2.423 138 S HA 0.296 4.770 4.470 0.006 0.000 0.302 138 S C -0.109 174.454 174.600 -0.062 0.000 1.143 138 S CA -0.134 58.023 58.200 -0.072 0.000 1.080 138 S CB 0.743 63.991 63.200 0.080 0.000 1.081 138 S HN 0.427 nan 8.310 nan 0.000 0.522 139 K N 3.114 123.419 120.400 -0.159 0.000 2.339 139 K HA 0.311 4.635 4.320 0.006 0.000 0.286 139 K C -0.933 175.689 176.600 0.036 0.000 1.050 139 K CA -0.438 55.829 56.287 -0.034 0.000 0.956 139 K CB 0.275 32.769 32.500 -0.011 0.000 0.990 139 K HN 0.407 nan 8.250 nan 0.000 0.475 140 L N 6.554 127.893 121.223 0.193 0.000 2.573 140 L HA 0.309 4.652 4.340 0.006 0.000 0.260 140 L C -1.424 175.710 176.870 0.440 0.000 0.997 140 L CA -0.603 54.446 54.840 0.349 0.000 0.890 140 L CB 1.421 43.682 42.059 0.337 0.000 1.179 140 L HN 0.427 nan 8.230 nan 0.000 0.439 141 V N 1.176 121.352 119.914 0.436 0.000 3.046 141 V HA 0.973 5.096 4.120 0.006 0.000 0.316 141 V C -0.640 175.465 176.094 0.018 0.000 1.104 141 V CA -0.308 62.180 62.300 0.313 0.000 1.006 141 V CB 2.057 33.971 31.823 0.151 0.000 1.058 141 V HN 0.760 nan 8.190 nan 0.000 0.440 142 S N 1.326 116.767 115.700 -0.431 0.000 2.549 142 S HA 0.915 5.389 4.470 0.006 0.000 0.280 142 S C -0.665 173.771 174.600 -0.274 0.000 1.109 142 S CA 0.077 57.917 58.200 -0.599 0.000 0.905 142 S CB 1.565 63.856 63.200 -1.515 0.000 1.081 142 S HN 2.158 nan 8.310 nan 0.000 0.477 143 A N 3.697 126.442 122.820 -0.125 0.000 2.408 143 A HA 0.732 5.055 4.320 0.006 0.000 0.295 143 A C -0.985 176.759 177.584 0.267 0.000 1.040 143 A CA -0.819 51.249 52.037 0.052 0.000 0.707 143 A CB 0.938 19.909 19.000 -0.049 0.000 1.235 143 A HN 0.854 nan 8.150 nan 0.000 0.418 144 N N 0.415 119.279 118.700 0.274 0.000 2.335 144 N HA 0.832 5.576 4.740 0.006 0.000 0.304 144 N C -0.548 174.965 175.510 0.005 0.000 1.135 144 N CA -0.795 52.363 53.050 0.181 0.000 0.817 144 N CB 1.935 40.447 38.487 0.041 0.000 1.294 144 N HN 0.720 nan 8.380 nan 0.000 0.497 145 R N 1.490 121.866 120.500 -0.207 0.000 2.633 145 R HA 0.326 4.670 4.340 0.006 0.000 0.255 145 R C -2.081 173.952 176.300 -0.445 0.000 1.106 145 R CA -0.488 55.264 56.100 -0.580 0.000 0.959 145 R CB 0.797 30.245 30.300 -1.420 0.000 1.259 145 R HN 0.451 nan 8.270 nan 0.000 0.453 146 L N 3.959 124.857 121.223 -0.542 0.000 2.343 146 L HA 0.607 4.951 4.340 0.006 0.000 0.275 146 L C -0.836 175.703 176.870 -0.552 0.000 1.056 146 L CA -0.747 53.875 54.840 -0.364 0.000 0.804 146 L CB 1.154 42.995 42.059 -0.364 0.000 1.203 146 L HN 0.541 nan 8.230 nan 0.000 0.440 147 F N 0.638 120.478 119.950 -0.184 0.000 2.646 147 F HA 0.496 5.026 4.527 0.006 0.000 0.364 147 F C 0.641 176.493 175.800 0.086 0.000 1.137 147 F CA -0.617 57.338 58.000 -0.075 0.000 1.085 147 F CB 1.562 40.597 39.000 0.058 0.000 1.331 147 F HN 0.399 nan 8.300 nan 0.000 0.472 148 G N 0.912 109.752 108.800 0.067 0.000 2.434 148 G HA2 0.367 4.330 3.960 0.006 0.000 0.330 148 G HA3 0.367 4.330 3.960 0.006 0.000 0.330 148 G C -1.122 173.981 174.900 0.339 0.000 1.155 148 G CA -0.514 44.770 45.100 0.306 0.000 0.917 148 G HN 0.420 nan 8.290 nan 0.000 0.493 149 D N -0.361 120.339 120.400 0.500 0.000 2.400 149 D HA 0.371 5.014 4.640 0.006 0.000 0.238 149 D C 1.691 178.038 176.300 0.079 0.000 1.157 149 D CA 0.522 54.640 54.000 0.197 0.000 0.889 149 D CB 1.052 42.030 40.800 0.297 0.000 1.199 149 D HN 0.444 nan 8.370 nan 0.000 0.436 150 K N 0.871 121.252 120.400 -0.033 0.000 2.211 150 K HA -0.090 4.233 4.320 0.006 0.000 0.203 150 K C 1.890 178.485 176.600 -0.010 0.000 1.050 150 K CA 1.820 58.090 56.287 -0.028 0.000 0.945 150 K CB -0.800 31.665 32.500 -0.057 0.000 0.732 150 K HN 0.542 nan 8.250 nan 0.000 0.451 151 S N -0.675 115.020 115.700 -0.007 0.000 2.517 151 S HA 0.289 4.763 4.470 0.006 0.000 0.214 151 S C 0.836 175.399 174.600 -0.061 0.000 0.991 151 S CA -0.541 57.644 58.200 -0.024 0.000 0.906 151 S CB -0.281 62.910 63.200 -0.014 0.000 0.789 151 S HN 0.396 nan 8.310 nan 0.000 0.513 152 L N 1.408 122.570 121.223 -0.102 0.000 2.454 152 L HA 0.458 4.802 4.340 0.006 0.000 0.256 152 L C -0.082 176.611 176.870 -0.295 0.000 1.136 152 L CA -0.478 54.211 54.840 -0.252 0.000 0.804 152 L CB 1.042 42.828 42.059 -0.455 0.000 1.181 152 L HN 0.037 nan 8.230 nan 0.000 0.469 153 T N 0.943 115.282 114.554 -0.359 0.000 2.791 153 T HA 0.473 4.827 4.350 0.006 0.000 0.288 153 T C -0.658 173.834 174.700 -0.347 0.000 0.999 153 T CA -0.285 61.676 62.100 -0.232 0.000 0.952 153 T CB 0.373 69.167 68.868 -0.123 0.000 0.938 153 T HN 0.065 nan 8.240 nan 0.000 0.444 154 F N 3.139 123.096 119.950 0.013 0.000 2.385 154 F HA 0.341 4.871 4.527 0.006 0.000 0.336 154 F C 1.172 176.996 175.800 0.040 0.000 1.100 154 F CA -1.152 56.868 58.000 0.034 0.000 1.116 154 F CB 0.766 39.807 39.000 0.070 0.000 1.166 154 F HN 0.421 nan 8.300 nan 0.000 0.511 155 N N 2.455 121.292 118.700 0.227 0.000 2.411 155 N HA -0.104 4.640 4.740 0.006 0.000 0.261 155 N C 0.845 176.462 175.510 0.177 0.000 1.248 155 N CA 0.261 53.401 53.050 0.150 0.000 0.885 155 N CB 0.802 39.358 38.487 0.116 0.000 1.062 155 N HN 0.682 nan 8.380 nan 0.000 0.471 156 E N 2.132 122.393 120.200 0.102 0.000 2.268 156 E HA -0.065 4.289 4.350 0.006 0.000 0.195 156 E C 1.154 177.785 176.600 0.051 0.000 0.995 156 E CA 1.248 57.689 56.400 0.068 0.000 0.836 156 E CB 0.174 29.895 29.700 0.036 0.000 0.763 156 E HN 0.685 nan 8.360 nan 0.000 0.491 157 T N -0.493 114.101 114.554 0.067 0.000 2.812 157 T HA -0.136 4.218 4.350 0.006 0.000 0.264 157 T C 1.403 176.135 174.700 0.054 0.000 1.042 157 T CA 1.142 63.269 62.100 0.045 0.000 1.140 157 T CB -0.484 68.412 68.868 0.047 0.000 0.870 157 T HN 0.274 nan 8.240 nan 0.000 0.445 158 Y N 1.885 122.171 120.300 -0.023 0.000 2.089 158 Y HA -0.175 4.379 4.550 0.006 0.000 0.282 158 Y C 2.725 178.588 175.900 -0.063 0.000 1.139 158 Y CA 1.659 59.733 58.100 -0.043 0.000 1.123 158 Y CB -0.623 37.827 38.460 -0.017 0.000 0.980 158 Y HN 0.132 nan 8.280 nan 0.000 0.493 159 Q N -0.162 119.565 119.800 -0.122 0.000 2.135 159 Q HA -0.229 4.115 4.340 0.006 0.000 0.204 159 Q C 1.795 177.668 176.000 -0.212 0.000 0.981 159 Q CA 2.028 57.691 55.803 -0.232 0.000 0.856 159 Q CB -0.167 28.535 28.738 -0.060 0.000 0.902 159 Q HN 0.528 nan 8.270 nan 0.000 0.425 160 D N -0.190 120.135 120.400 -0.126 0.000 2.123 160 D HA -0.094 4.550 4.640 0.006 0.000 0.200 160 D C 1.821 178.042 176.300 -0.131 0.000 0.976 160 D CA 0.979 54.914 54.000 -0.107 0.000 0.831 160 D CB 0.026 40.789 40.800 -0.062 0.000 0.974 160 D HN 0.350 nan 8.370 nan 0.000 0.469 161 I N 0.386 120.868 120.570 -0.146 0.000 2.500 161 I HA -0.162 4.011 4.170 0.006 0.000 0.252 161 I C 2.407 178.411 176.117 -0.190 0.000 1.142 161 I CA 0.377 61.589 61.300 -0.147 0.000 1.451 161 I CB -0.047 37.880 38.000 -0.122 0.000 1.093 161 I HN -0.147 nan 8.210 nan 0.000 0.430 162 S N 0.324 115.829 115.700 -0.325 0.000 2.370 162 S HA -0.258 4.216 4.470 0.006 0.000 0.226 162 S C 1.905 176.402 174.600 -0.170 0.000 1.033 162 S CA 1.550 59.549 58.200 -0.335 0.000 1.011 162 S CB -0.232 62.552 63.200 -0.694 0.000 0.852 162 S HN 0.473 nan 8.310 nan 0.000 0.457 163 E N 0.014 120.096 120.200 -0.196 0.000 2.502 163 E HA 0.000 4.354 4.350 0.006 0.000 0.194 163 E C 1.717 178.253 176.600 -0.107 0.000 1.062 163 E CA 0.111 56.427 56.400 -0.140 0.000 0.867 163 E CB 0.059 29.669 29.700 -0.150 0.000 0.888 163 E HN 0.355 nan 8.360 nan 0.000 0.510 164 L N -0.488 120.666 121.223 -0.115 0.000 2.200 164 L HA 0.039 4.382 4.340 0.006 0.000 0.200 164 L C 1.872 178.656 176.870 -0.144 0.000 1.072 164 L CA 0.932 55.709 54.840 -0.106 0.000 0.787 164 L CB 0.119 42.123 42.059 -0.093 0.000 0.957 164 L HN -0.012 nan 8.230 nan 0.000 0.459 165 V N -1.167 118.608 119.914 -0.231 0.000 3.235 165 V HA -0.049 4.074 4.120 0.006 0.000 0.259 165 V C 0.892 176.530 176.094 -0.759 0.000 1.133 165 V CA 0.994 63.009 62.300 -0.475 0.000 1.128 165 V CB -0.394 31.067 31.823 -0.602 0.000 0.757 165 V HN 0.489 nan 8.190 nan 0.000 0.469 166 Y N -0.657 119.580 120.300 -0.106 0.000 2.499 166 Y HA 0.485 5.039 4.550 0.006 0.000 0.253 166 Y C 1.816 177.662 175.900 -0.090 0.000 1.105 166 Y CA 0.046 58.084 58.100 -0.104 0.000 1.240 166 Y CB 0.495 38.857 38.460 -0.163 0.000 1.289 166 Y HN 0.172 nan 8.280 nan 0.000 0.534 167 G N 1.362 110.156 108.800 -0.009 0.000 2.225 167 G HA2 -0.194 3.769 3.960 0.006 0.000 0.267 167 G HA3 -0.194 3.769 3.960 0.006 0.000 0.267 167 G C 0.182 175.058 174.900 -0.040 0.000 1.024 167 G CA 0.233 45.317 45.100 -0.026 0.000 0.784 167 G HN 0.637 nan 8.290 nan 0.000 0.507 168 A N 0.142 122.924 122.820 -0.063 0.000 2.391 168 A HA 0.649 4.972 4.320 0.006 0.000 0.316 168 A C 0.726 178.170 177.584 -0.233 0.000 1.381 168 A CA -0.082 51.864 52.037 -0.150 0.000 0.998 168 A CB 0.333 19.234 19.000 -0.166 0.000 1.147 168 A HN 0.464 nan 8.150 nan 0.000 0.545 169 K N 1.235 121.477 120.400 -0.264 0.000 2.107 169 K HA 0.459 4.782 4.320 0.006 0.000 0.251 169 K C -0.645 175.719 176.600 -0.393 0.000 1.012 169 K CA -0.353 55.762 56.287 -0.287 0.000 0.920 169 K CB 1.215 33.565 32.500 -0.249 0.000 1.033 169 K HN 0.637 nan 8.250 nan 0.000 0.478 170 L N 2.640 123.652 121.223 -0.353 0.000 2.301 170 L HA 0.179 4.522 4.340 0.006 0.000 0.278 170 L C -0.664 175.987 176.870 -0.365 0.000 1.022 170 L CA -0.344 54.255 54.840 -0.402 0.000 0.854 170 L CB 1.010 42.853 42.059 -0.359 0.000 1.226 170 L HN 0.607 nan 8.230 nan 0.000 0.429 171 Q N 6.160 125.663 119.800 -0.496 0.000 2.241 171 Q HA 0.480 4.824 4.340 0.006 0.000 0.254 171 Q C -2.477 173.364 176.000 -0.265 0.000 0.917 171 Q CA -1.745 53.822 55.803 -0.395 0.000 0.919 171 Q CB 1.923 30.336 28.738 -0.543 0.000 1.237 171 Q HN 0.351 nan 8.270 nan 0.000 0.434 172 P HA 0.318 nan 4.420 nan 0.000 0.276 172 P C -1.170 176.036 177.300 -0.156 0.000 1.244 172 P CA -0.163 62.872 63.100 -0.107 0.000 0.801 172 P CB 0.679 32.339 31.700 -0.067 0.000 1.006 173 L N 0.788 121.850 121.223 -0.268 0.000 2.643 173 L HA 0.240 4.583 4.340 0.006 0.000 0.257 173 L C -0.795 175.750 176.870 -0.543 0.000 0.922 173 L CA -0.758 53.830 54.840 -0.421 0.000 0.909 173 L CB 2.275 43.977 42.059 -0.595 0.000 1.424 173 L HN 0.219 nan 8.230 nan 0.000 0.422 174 D N 1.527 121.738 120.400 -0.315 0.000 2.416 174 D HA 0.180 4.824 4.640 0.006 0.000 0.240 174 D C 0.459 176.687 176.300 -0.120 0.000 1.250 174 D CA 0.191 54.083 54.000 -0.180 0.000 0.967 174 D CB 0.383 41.138 40.800 -0.075 0.000 1.059 174 D HN 0.222 nan 8.370 nan 0.000 0.512 175 F N 1.847 121.819 119.950 0.037 0.000 2.416 175 F HA 0.142 4.673 4.527 0.006 0.000 0.296 175 F C 2.200 178.014 175.800 0.023 0.000 1.099 175 F CA 0.378 58.395 58.000 0.030 0.000 1.427 175 F CB -0.120 38.904 39.000 0.039 0.000 1.079 175 F HN 0.303 nan 8.300 nan 0.000 0.536 176 K N 0.102 120.611 120.400 0.182 0.000 2.283 176 K HA -0.065 4.258 4.320 0.006 0.000 0.202 176 K C 1.883 178.528 176.600 0.076 0.000 1.048 176 K CA 1.471 57.825 56.287 0.110 0.000 0.948 176 K CB 0.007 32.551 32.500 0.074 0.000 0.742 176 K HN 0.429 nan 8.250 nan 0.000 0.458 177 E N 0.085 120.324 120.200 0.065 0.000 2.555 177 E HA 0.074 4.428 4.350 0.006 0.000 0.209 177 E C 0.560 177.187 176.600 0.044 0.000 0.847 177 E CA -0.214 56.213 56.400 0.044 0.000 1.438 177 E CB 0.275 29.990 29.700 0.026 0.000 1.420 177 E HN 0.104 nan 8.360 nan 0.000 0.755 178 N N 0.399 119.128 118.700 0.048 0.000 2.535 178 N HA 0.417 5.160 4.740 0.006 0.000 0.294 178 N C 1.264 176.823 175.510 0.082 0.000 1.408 178 N CA 0.660 53.736 53.050 0.043 0.000 0.927 178 N CB 1.113 39.607 38.487 0.011 0.000 1.276 178 N HN 0.411 nan 8.380 nan 0.000 0.505 179 A N 0.671 123.566 122.820 0.124 0.000 1.940 179 A HA -0.266 4.057 4.320 0.006 0.000 0.221 179 A C 2.182 179.841 177.584 0.125 0.000 1.190 179 A CA 1.845 53.990 52.037 0.180 0.000 0.647 179 A CB -0.172 18.900 19.000 0.120 0.000 0.821 179 A HN 0.322 nan 8.150 nan 0.000 0.457 180 E N -0.360 119.882 120.200 0.069 0.000 2.046 180 E HA -0.190 4.164 4.350 0.006 0.000 0.190 180 E C 2.131 178.751 176.600 0.033 0.000 0.982 180 E CA 1.632 58.056 56.400 0.040 0.000 0.800 180 E CB -0.458 29.257 29.700 0.024 0.000 0.756 180 E HN 0.696 nan 8.360 nan 0.000 0.449 181 Q N -0.438 119.381 119.800 0.030 0.000 2.364 181 Q HA -0.082 4.262 4.340 0.006 0.000 0.209 181 Q C 1.741 177.754 176.000 0.022 0.000 0.977 181 Q CA 1.234 57.047 55.803 0.018 0.000 0.885 181 Q CB 0.007 28.750 28.738 0.009 0.000 0.941 181 Q HN 0.199 nan 8.270 nan 0.000 0.464 182 S N -0.375 115.355 115.700 0.049 0.000 2.348 182 S HA -0.127 4.346 4.470 0.006 0.000 0.219 182 S C 2.273 176.908 174.600 0.059 0.000 1.033 182 S CA 1.179 59.423 58.200 0.074 0.000 0.974 182 S CB -0.367 62.961 63.200 0.214 0.000 0.868 182 S HN 0.614 nan 8.310 nan 0.000 0.459 183 R N 1.509 122.039 120.500 0.050 0.000 2.103 183 R HA 0.038 4.381 4.340 0.006 0.000 0.234 183 R C 2.505 178.781 176.300 -0.039 0.000 1.132 183 R CA 2.154 58.241 56.100 -0.023 0.000 0.925 183 R CB -1.743 28.534 30.300 -0.038 0.000 0.842 183 R HN 0.479 nan 8.270 nan 0.000 0.430 184 A N 0.684 123.494 122.820 -0.017 0.000 1.958 184 A HA 0.067 4.390 4.320 0.006 0.000 0.221 184 A C 2.822 180.408 177.584 0.003 0.000 1.178 184 A CA 2.628 54.658 52.037 -0.011 0.000 0.642 184 A CB -0.978 18.021 19.000 -0.002 0.000 0.816 184 A HN 1.207 nan 8.150 nan 0.000 0.453 185 A N -0.085 122.739 122.820 0.008 0.000 1.858 185 A HA -0.078 4.245 4.320 0.006 0.000 0.216 185 A C 2.154 179.761 177.584 0.039 0.000 1.190 185 A CA 1.580 53.638 52.037 0.035 0.000 0.617 185 A CB -0.600 18.421 19.000 0.036 0.000 0.827 185 A HN 0.520 nan 8.150 nan 0.000 0.443 186 I N -0.161 120.346 120.570 -0.105 0.000 2.163 186 I HA -0.246 3.928 4.170 0.006 0.000 0.240 186 I C 2.130 178.219 176.117 -0.046 0.000 1.081 186 I CA 1.217 62.341 61.300 -0.294 0.000 1.353 186 I CB -0.675 36.937 38.000 -0.647 0.000 1.054 186 I HN 0.285 nan 8.210 nan 0.000 0.407 187 N N 1.298 119.965 118.700 -0.054 0.000 2.132 187 N HA -0.220 4.523 4.740 0.006 0.000 0.191 187 N C 1.790 177.314 175.510 0.023 0.000 1.015 187 N CA 1.513 54.551 53.050 -0.020 0.000 0.864 187 N CB -0.327 38.134 38.487 -0.044 0.000 1.006 187 N HN 0.261 nan 8.380 nan 0.000 0.430 188 K N -0.111 120.317 120.400 0.047 0.000 2.097 188 K HA -0.089 4.235 4.320 0.006 0.000 0.205 188 K C 1.642 178.293 176.600 0.084 0.000 1.050 188 K CA 0.410 56.727 56.287 0.049 0.000 0.938 188 K CB -0.700 31.832 32.500 0.054 0.000 0.718 188 K HN 0.315 nan 8.250 nan 0.000 0.442 189 W N 0.575 121.886 121.300 0.018 0.000 2.350 189 W HA -0.195 4.468 4.660 0.006 0.000 0.289 189 W C 1.331 177.868 176.519 0.030 0.000 1.215 189 W CA 1.166 58.546 57.345 0.058 0.000 1.236 189 W CB -0.011 29.562 29.460 0.190 0.000 1.130 189 W HN -0.173 nan 8.180 nan 0.000 0.541 190 V N -0.560 119.352 119.914 -0.004 0.000 2.407 190 V HA -0.226 3.898 4.120 0.006 0.000 0.245 190 V C 2.380 178.350 176.094 -0.208 0.000 1.041 190 V CA 1.950 64.144 62.300 -0.177 0.000 1.040 190 V CB -1.097 30.726 31.823 0.000 0.000 0.671 190 V HN 0.223 nan 8.190 nan 0.000 0.455 191 S N 0.458 116.086 115.700 -0.121 0.000 2.440 191 S HA -0.240 4.234 4.470 0.006 0.000 0.238 191 S C 1.965 176.460 174.600 -0.175 0.000 1.010 191 S CA 1.893 60.021 58.200 -0.120 0.000 0.972 191 S CB -0.507 62.650 63.200 -0.072 0.000 0.774 191 S HN 0.713 nan 8.310 nan 0.000 0.501 192 N N 0.141 118.700 118.700 -0.235 0.000 2.387 192 N HA 0.033 4.776 4.740 0.006 0.000 0.176 192 N C 1.106 176.397 175.510 -0.365 0.000 1.022 192 N CA 0.581 53.472 53.050 -0.266 0.000 0.883 192 N CB -0.058 38.288 38.487 -0.235 0.000 1.019 192 N HN 0.192 nan 8.380 nan 0.000 0.435 193 K N 0.695 120.788 120.400 -0.511 0.000 2.487 193 K HA 0.054 4.378 4.320 0.006 0.000 0.192 193 K C 0.530 176.920 176.600 -0.349 0.000 1.027 193 K CA 0.461 56.438 56.287 -0.516 0.000 1.054 193 K CB 0.250 32.255 32.500 -0.825 0.000 0.824 193 K HN 0.373 nan 8.250 nan 0.000 0.510 194 T N -1.535 112.849 114.554 -0.284 0.000 3.487 194 T HA 0.138 4.491 4.350 0.006 0.000 0.287 194 T C -0.316 174.261 174.700 -0.205 0.000 1.004 194 T CA -0.476 61.540 62.100 -0.140 0.000 0.977 194 T CB 0.214 69.082 68.868 0.000 0.000 1.180 194 T HN -0.031 nan 8.240 nan 0.000 0.490 195 E N 1.068 121.049 120.200 -0.366 0.000 2.294 195 E HA -0.270 4.084 4.350 0.006 0.000 0.228 195 E C 1.319 177.801 176.600 -0.196 0.000 1.253 195 E CA 1.257 57.481 56.400 -0.294 0.000 0.716 195 E CB -2.146 27.361 29.700 -0.321 0.000 1.184 195 E HN 1.369 nan 8.360 nan 0.000 0.374 196 G N -0.307 108.385 108.800 -0.179 0.000 2.196 196 G HA2 -0.445 3.518 3.960 0.006 0.000 0.268 196 G HA3 -0.445 3.518 3.960 0.006 0.000 0.268 196 G C 1.113 175.903 174.900 -0.184 0.000 0.975 196 G CA 0.804 45.814 45.100 -0.150 0.000 0.648 196 G HN 0.293 nan 8.290 nan 0.000 0.538 197 R N -0.172 120.180 120.500 -0.247 0.000 2.062 197 R HA 0.144 4.488 4.340 0.006 0.000 0.229 197 R C 1.435 177.598 176.300 -0.228 0.000 1.128 197 R CA 0.955 56.783 56.100 -0.453 0.000 0.960 197 R CB -0.302 29.622 30.300 -0.627 0.000 0.855 197 R HN 0.462 nan 8.270 nan 0.000 0.432 198 I N 2.719 123.230 120.570 -0.100 0.000 2.306 198 I HA 0.097 4.271 4.170 0.006 0.000 0.288 198 I C 0.279 176.370 176.117 -0.042 0.000 1.036 198 I CA 0.113 61.400 61.300 -0.021 0.000 1.221 198 I CB 0.804 38.809 38.000 0.008 0.000 1.385 198 I HN 0.060 nan 8.210 nan 0.000 0.472 199 T N 1.416 115.953 114.554 -0.029 0.000 3.532 199 T HA 0.507 4.860 4.350 0.006 0.000 0.241 199 T C -0.201 174.483 174.700 -0.026 0.000 1.238 199 T CA -0.558 61.522 62.100 -0.034 0.000 1.405 199 T CB -0.598 68.248 68.868 -0.037 0.000 0.971 199 T HN 0.685 nan 8.240 nan 0.000 0.640 200 D N -1.471 118.910 120.400 -0.032 0.000 4.308 200 D HA -0.062 4.581 4.640 0.006 0.000 0.151 200 D C 0.946 177.201 176.300 -0.074 0.000 0.655 200 D CA -0.333 53.637 54.000 -0.050 0.000 0.650 200 D CB -1.276 39.504 40.800 -0.033 0.000 1.679 200 D HN 0.203 nan 8.370 nan 0.000 0.274 201 V N 0.222 120.099 119.914 -0.062 0.000 2.222 201 V HA -0.223 3.900 4.120 0.006 0.000 0.252 201 V C 1.540 177.553 176.094 -0.135 0.000 1.060 201 V CA 1.233 63.495 62.300 -0.064 0.000 1.027 201 V CB -0.742 31.063 31.823 -0.030 0.000 0.644 201 V HN 0.437 nan 8.190 nan 0.000 0.448 202 I N 3.389 123.855 120.570 -0.174 0.000 2.396 202 I HA 0.183 4.357 4.170 0.006 0.000 0.289 202 I C -1.146 174.733 176.117 -0.398 0.000 1.056 202 I CA -1.780 59.310 61.300 -0.350 0.000 1.365 202 I CB 0.968 38.839 38.000 -0.214 0.000 1.407 202 I HN 0.219 nan 8.210 nan 0.000 0.509 203 P HA -0.042 nan 4.420 nan 0.000 0.317 203 P C -0.087 177.065 177.300 -0.246 0.000 1.427 203 P CA -0.111 62.749 63.100 -0.400 0.000 0.820 203 P CB 0.426 31.837 31.700 -0.483 0.000 1.894 204 S N -2.293 113.306 115.700 -0.169 0.000 2.526 204 S HA 0.499 4.973 4.470 0.006 0.000 0.293 204 S C 0.148 174.713 174.600 -0.058 0.000 1.092 204 S CA 0.760 58.905 58.200 -0.091 0.000 0.980 204 S CB 0.103 63.271 63.200 -0.054 0.000 1.048 204 S HN 0.636 nan 8.310 nan 0.000 0.483 205 E N 0.454 120.635 120.200 -0.032 0.000 3.801 205 E HA -0.249 4.104 4.350 0.006 0.000 0.319 205 E C 0.880 177.488 176.600 0.013 0.000 0.784 205 E CA 1.948 58.347 56.400 -0.001 0.000 1.183 205 E CB -2.385 27.322 29.700 0.012 0.000 1.601 205 E HN 1.457 nan 8.360 nan 0.000 0.441 206 A N -0.727 122.089 122.820 -0.007 0.000 2.123 206 A HA 0.590 4.913 4.320 0.006 0.000 0.214 206 A C 1.261 178.862 177.584 0.028 0.000 1.152 206 A CA 1.125 53.201 52.037 0.065 0.000 0.728 206 A CB 0.224 19.257 19.000 0.055 0.000 0.814 206 A HN 0.938 nan 8.150 nan 0.000 0.464 207 I N 1.606 122.158 120.570 -0.030 0.000 2.382 207 I HA 0.243 4.417 4.170 0.006 0.000 0.286 207 I C -0.375 175.721 176.117 -0.035 0.000 1.002 207 I CA -0.572 60.671 61.300 -0.095 0.000 1.135 207 I CB 1.387 39.310 38.000 -0.127 0.000 1.288 207 I HN 0.513 nan 8.210 nan 0.000 0.448 208 N N 5.051 123.727 118.700 -0.040 0.000 3.002 208 N HA 0.267 5.010 4.740 0.006 0.000 0.331 208 N C 0.747 176.282 175.510 0.043 0.000 1.384 208 N CA -0.723 52.337 53.050 0.018 0.000 0.780 208 N CB 0.843 39.345 38.487 0.025 0.000 1.492 208 N HN 0.490 nan 8.380 nan 0.000 0.608 209 E N 0.840 121.078 120.200 0.064 0.000 2.171 209 E HA -0.199 4.154 4.350 0.006 0.000 0.197 209 E C 1.503 178.152 176.600 0.081 0.000 0.997 209 E CA 1.510 57.962 56.400 0.085 0.000 0.810 209 E CB -0.567 29.172 29.700 0.065 0.000 0.738 209 E HN 0.676 nan 8.360 nan 0.000 0.467 210 L N 1.451 122.705 121.223 0.052 0.000 2.554 210 L HA 0.069 4.412 4.340 0.006 0.000 0.226 210 L C 0.790 177.664 176.870 0.007 0.000 1.137 210 L CA 0.232 55.101 54.840 0.048 0.000 0.863 210 L CB -0.310 41.788 42.059 0.065 0.000 0.985 210 L HN -0.125 nan 8.230 nan 0.000 0.451 211 T N 0.439 114.955 114.554 -0.063 0.000 2.792 211 T HA 0.044 4.397 4.350 0.006 0.000 0.286 211 T C 1.290 175.894 174.700 -0.160 0.000 0.970 211 T CA -0.120 61.826 62.100 -0.256 0.000 1.187 211 T CB 1.592 70.095 68.868 -0.608 0.000 0.915 211 T HN -0.087 nan 8.240 nan 0.000 0.529 212 V N 3.829 123.685 119.914 -0.098 0.000 2.365 212 V HA 0.241 4.365 4.120 0.006 0.000 0.232 212 V C 0.703 176.943 176.094 0.245 0.000 1.065 212 V CA 0.600 62.963 62.300 0.105 0.000 1.054 212 V CB -0.255 31.610 31.823 0.069 0.000 0.685 212 V HN 0.628 nan 8.190 nan 0.000 0.480 213 L N -0.964 120.322 121.223 0.105 0.000 2.279 213 L HA 0.754 5.098 4.340 0.006 0.000 0.262 213 L C -1.190 175.663 176.870 -0.027 0.000 1.019 213 L CA -0.460 54.465 54.840 0.142 0.000 0.823 213 L CB 2.282 44.400 42.059 0.098 0.000 1.358 213 L HN -0.017 nan 8.230 nan 0.000 0.432 214 V N 3.386 123.334 119.914 0.057 0.000 2.559 214 V HA 0.343 4.466 4.120 0.006 0.000 0.289 214 V C -0.963 175.173 176.094 0.069 0.000 1.036 214 V CA -0.430 61.872 62.300 0.003 0.000 0.887 214 V CB 1.487 33.291 31.823 -0.030 0.000 1.022 214 V HN 0.537 nan 8.190 nan 0.000 0.442 215 L N 5.616 126.811 121.223 -0.046 0.000 2.349 215 L HA 0.691 5.035 4.340 0.006 0.000 0.275 215 L C -0.037 176.805 176.870 -0.045 0.000 1.115 215 L CA 0.079 54.873 54.840 -0.076 0.000 0.820 215 L CB 1.319 43.263 42.059 -0.193 0.000 1.135 215 L HN 0.360 nan 8.230 nan 0.000 0.445 216 V N 2.336 122.259 119.914 0.015 0.000 2.841 216 V HA 0.531 4.655 4.120 0.006 0.000 0.310 216 V C -0.655 175.506 176.094 0.112 0.000 1.090 216 V CA -0.779 61.576 62.300 0.092 0.000 0.930 216 V CB 2.245 34.211 31.823 0.239 0.000 1.014 216 V HN 0.882 nan 8.190 nan 0.000 0.425 217 N N 1.415 120.179 118.700 0.107 0.000 2.312 217 N HA 0.867 5.611 4.740 0.006 0.000 0.296 217 N C -1.004 174.575 175.510 0.115 0.000 1.193 217 N CA -0.122 52.988 53.050 0.099 0.000 0.773 217 N CB 2.610 41.115 38.487 0.029 0.000 1.435 217 N HN 0.903 nan 8.380 nan 0.000 0.484 218 T N -0.156 114.443 114.554 0.075 0.000 2.982 218 T HA 0.564 4.917 4.350 0.006 0.000 0.321 218 T C -0.975 173.731 174.700 0.011 0.000 1.229 218 T CA -0.702 61.419 62.100 0.034 0.000 1.044 218 T CB 0.419 69.260 68.868 -0.045 0.000 1.184 218 T HN 0.382 nan 8.240 nan 0.000 0.477 219 I N 2.409 123.027 120.570 0.081 0.000 2.619 219 I HA 0.564 4.737 4.170 0.006 0.000 0.292 219 I C -1.639 174.672 176.117 0.323 0.000 1.100 219 I CA -1.165 60.218 61.300 0.139 0.000 1.043 219 I CB 2.541 40.599 38.000 0.096 0.000 1.239 219 I HN 0.809 nan 8.210 nan 0.000 0.420 220 Y N 6.425 126.868 120.300 0.238 0.000 2.406 220 Y HA 0.632 5.186 4.550 0.007 0.000 0.340 220 Y C -1.740 174.383 175.900 0.371 0.000 0.975 220 Y CA -0.889 57.375 58.100 0.274 0.000 1.056 220 Y CB 1.794 40.309 38.460 0.091 0.000 1.210 220 Y HN 0.459 nan 8.280 nan 0.000 0.448 221 F N 6.009 125.674 119.950 -0.475 0.000 2.603 221 F HA 0.783 5.314 4.527 0.006 0.000 0.317 221 F C -1.639 173.802 175.800 -0.599 0.000 1.066 221 F CA -0.791 57.022 58.000 -0.312 0.000 0.941 221 F CB 1.734 40.700 39.000 -0.056 0.000 1.291 221 F HN 0.378 nan 8.300 nan 0.000 0.472 222 K N 2.789 122.108 120.400 -1.802 0.000 2.487 222 K HA 0.402 4.725 4.320 0.006 0.000 0.307 222 K C -1.514 174.302 176.600 -1.306 0.000 1.160 222 K CA -0.119 55.424 56.287 -1.239 0.000 1.087 222 K CB 0.908 33.133 32.500 -0.459 0.000 1.390 222 K HN 1.046 nan 8.250 nan 0.000 0.453 223 G N 2.631 110.691 108.800 -1.235 0.000 2.658 223 G HA2 0.738 4.701 3.960 0.006 0.000 0.292 223 G HA3 0.738 4.701 3.960 0.006 0.000 0.292 223 G C -1.156 173.651 174.900 -0.156 0.000 1.320 223 G CA -0.739 44.001 45.100 -0.601 0.000 0.933 223 G HN 0.305 nan 8.290 nan 0.000 0.476 224 L N -0.261 120.993 121.223 0.053 0.000 2.331 224 L HA 0.427 4.771 4.340 0.006 0.000 0.275 224 L C -0.437 176.541 176.870 0.180 0.000 1.022 224 L CA -0.826 54.050 54.840 0.059 0.000 0.812 224 L CB 1.972 44.072 42.059 0.069 0.000 1.257 224 L HN 0.590 nan 8.230 nan 0.000 0.435 225 W N 2.761 124.192 121.300 0.218 0.000 2.264 225 W HA 0.020 4.686 4.660 0.010 0.000 0.331 225 W C 1.534 178.089 176.519 0.061 0.000 1.364 225 W CA -0.122 57.270 57.345 0.078 0.000 1.253 225 W CB 0.664 30.159 29.460 0.057 0.000 1.215 225 W HN 0.617 nan 8.180 nan 0.000 0.561 226 K N 1.615 122.218 120.400 0.339 0.000 2.032 226 K HA -0.193 4.131 4.320 0.006 0.000 0.209 226 K C 1.221 177.894 176.600 0.122 0.000 1.048 226 K CA 1.486 57.888 56.287 0.192 0.000 0.927 226 K CB -0.108 32.481 32.500 0.148 0.000 0.712 226 K HN 0.295 nan 8.250 nan 0.000 0.441 227 S N 1.518 117.275 115.700 0.095 0.000 2.912 227 S HA 0.134 4.608 4.470 0.006 0.000 0.184 227 S C -1.131 173.426 174.600 -0.072 0.000 1.390 227 S CA -0.704 57.476 58.200 -0.034 0.000 1.088 227 S CB 0.088 63.197 63.200 -0.151 0.000 1.284 227 S HN 0.184 nan 8.310 nan 0.000 0.502 228 K N 1.556 122.002 120.400 0.076 0.000 2.604 228 K HA -0.019 4.305 4.320 0.006 0.000 0.277 228 K C -0.085 176.485 176.600 -0.050 0.000 0.966 228 K CA 0.606 56.980 56.287 0.145 0.000 0.991 228 K CB -0.256 32.346 32.500 0.170 0.000 0.865 228 K HN 0.555 nan 8.250 nan 0.000 0.511 229 F N -0.430 119.588 119.950 0.114 0.000 2.411 229 F HA 0.356 4.886 4.527 0.005 0.000 0.324 229 F C 1.008 176.856 175.800 0.080 0.000 1.086 229 F CA -0.407 57.619 58.000 0.044 0.000 1.028 229 F CB 1.798 40.820 39.000 0.036 0.000 1.284 229 F HN 0.397 nan 8.300 nan 0.000 0.501 230 S N 2.245 118.133 115.700 0.314 0.000 2.474 230 S HA 0.247 4.721 4.470 0.006 0.000 0.321 230 S C -2.120 172.594 174.600 0.190 0.000 1.080 230 S CA -1.117 57.207 58.200 0.206 0.000 1.106 230 S CB 1.530 64.830 63.200 0.167 0.000 0.984 230 S HN 0.312 nan 8.310 nan 0.000 0.464 231 P HA -0.113 nan 4.420 nan 0.000 0.221 231 P C 1.326 178.683 177.300 0.095 0.000 1.145 231 P CA 0.776 63.944 63.100 0.114 0.000 0.795 231 P CB 0.139 31.896 31.700 0.095 0.000 0.775 232 E N -0.628 119.630 120.200 0.096 0.000 2.028 232 E HA -0.118 4.235 4.350 0.006 0.000 0.191 232 E C 1.444 178.093 176.600 0.081 0.000 0.988 232 E CA 1.159 57.606 56.400 0.077 0.000 0.799 232 E CB -1.669 28.075 29.700 0.072 0.000 0.755 232 E HN 0.466 nan 8.360 nan 0.000 0.447 233 N N 0.998 119.768 118.700 0.117 0.000 2.485 233 N HA 0.012 4.755 4.740 0.006 0.000 0.199 233 N C -0.156 175.436 175.510 0.137 0.000 1.236 233 N CA 0.347 53.473 53.050 0.126 0.000 0.852 233 N CB -0.052 38.574 38.487 0.232 0.000 1.018 233 N HN 0.238 nan 8.380 nan 0.000 0.457 234 T N 0.888 115.507 114.554 0.108 0.000 2.882 234 T HA 0.650 5.004 4.350 0.006 0.000 0.287 234 T C 0.718 175.455 174.700 0.061 0.000 0.992 234 T CA -0.443 61.711 62.100 0.089 0.000 1.076 234 T CB 1.379 70.286 68.868 0.065 0.000 0.961 234 T HN 0.322 nan 8.240 nan 0.000 0.490 235 R N 0.507 121.041 120.500 0.056 0.000 2.574 235 R HA 0.778 5.122 4.340 0.006 0.000 0.288 235 R C -0.342 175.978 176.300 0.034 0.000 1.004 235 R CA -0.899 55.223 56.100 0.037 0.000 0.895 235 R CB -0.314 30.001 30.300 0.024 0.000 1.191 235 R HN 0.954 nan 8.270 nan 0.000 0.444 236 K N 1.154 121.571 120.400 0.029 0.000 2.401 236 K HA 0.458 4.782 4.320 0.006 0.000 0.278 236 K C 0.020 176.641 176.600 0.035 0.000 1.018 236 K CA 0.573 56.878 56.287 0.031 0.000 0.981 236 K CB 0.497 33.013 32.500 0.026 0.000 0.933 236 K HN 0.981 nan 8.250 nan 0.000 0.477 237 E N 0.267 120.496 120.200 0.048 0.000 2.343 237 E HA 0.590 4.943 4.350 0.006 0.000 0.278 237 E C -0.997 175.665 176.600 0.103 0.000 0.910 237 E CA -0.597 55.841 56.400 0.064 0.000 0.757 237 E CB 1.500 31.233 29.700 0.055 0.000 1.218 237 E HN 0.699 nan 8.360 nan 0.000 0.435 238 L N 3.680 124.973 121.223 0.116 0.000 2.416 238 L HA 0.591 4.935 4.340 0.006 0.000 0.272 238 L C -0.609 176.419 176.870 0.263 0.000 1.161 238 L CA 0.047 54.976 54.840 0.149 0.000 0.845 238 L CB -0.266 41.878 42.059 0.141 0.000 1.119 238 L HN 0.569 nan 8.230 nan 0.000 0.464 239 F N 3.031 123.026 119.950 0.074 0.000 2.507 239 F HA 0.727 5.257 4.527 0.005 0.000 0.325 239 F C -0.737 175.125 175.800 0.103 0.000 1.116 239 F CA -1.055 57.021 58.000 0.125 0.000 0.930 239 F CB 1.661 40.687 39.000 0.043 0.000 1.146 239 F HN 0.499 nan 8.300 nan 0.000 0.447 240 Y N 5.557 125.563 120.300 -0.489 0.000 2.404 240 Y HA 0.352 4.906 4.550 0.007 0.000 0.344 240 Y C 0.373 176.105 175.900 -0.280 0.000 0.970 240 Y CA -0.888 57.039 58.100 -0.287 0.000 1.180 240 Y CB 0.667 38.979 38.460 -0.246 0.000 1.138 240 Y HN 0.434 nan 8.280 nan 0.000 0.510 241 K N 1.414 121.843 120.400 0.049 0.000 2.336 241 K HA 0.221 4.544 4.320 0.006 0.000 0.262 241 K C 1.149 177.779 176.600 0.049 0.000 0.992 241 K CA 0.344 56.694 56.287 0.105 0.000 0.927 241 K CB 0.650 33.208 32.500 0.097 0.000 0.956 241 K HN 0.804 nan 8.250 nan 0.000 0.495 242 A N 2.397 125.248 122.820 0.051 0.000 1.948 242 A HA -0.302 4.022 4.320 0.006 0.000 0.220 242 A C 2.083 179.682 177.584 0.025 0.000 1.177 242 A CA 2.599 54.653 52.037 0.027 0.000 0.636 242 A CB -1.544 17.472 19.000 0.028 0.000 0.815 242 A HN 0.967 nan 8.150 nan 0.000 0.449 243 D N -2.219 118.197 120.400 0.027 0.000 2.240 243 D HA 0.161 4.804 4.640 0.006 0.000 0.204 243 D C 1.794 178.108 176.300 0.024 0.000 1.018 243 D CA 2.562 56.574 54.000 0.020 0.000 0.887 243 D CB -0.819 39.990 40.800 0.015 0.000 1.087 243 D HN 1.269 nan 8.370 nan 0.000 0.464 244 G N -1.716 107.099 108.800 0.024 0.000 4.554 244 G HA2 0.194 4.157 3.960 0.006 0.000 0.210 244 G HA3 0.194 4.157 3.960 0.006 0.000 0.210 244 G C 0.198 175.094 174.900 -0.005 0.000 0.674 244 G CA 0.762 45.886 45.100 0.039 0.000 0.801 244 G HN 0.649 nan 8.290 nan 0.000 0.555 245 E N 1.091 121.267 120.200 -0.040 0.000 2.351 245 E HA 0.613 4.966 4.350 0.006 0.000 0.255 245 E C -0.006 176.466 176.600 -0.213 0.000 1.188 245 E CA 0.173 56.512 56.400 -0.101 0.000 0.940 245 E CB 0.993 30.661 29.700 -0.053 0.000 1.094 245 E HN 0.330 nan 8.360 nan 0.000 0.474 246 S N 0.139 115.674 115.700 -0.274 0.000 2.546 246 S HA 0.633 5.107 4.470 0.006 0.000 0.274 246 S C -0.701 173.811 174.600 -0.145 0.000 1.121 246 S CA -0.942 57.040 58.200 -0.364 0.000 0.887 246 S CB 0.712 63.402 63.200 -0.851 0.000 1.094 246 S HN 0.714 nan 8.310 nan 0.000 0.474 247 c N 0.000 118.585 118.600 -0.026 0.000 2.994 247 c HA 0.911 5.485 4.570 0.006 0.000 0.304 247 c C 0.350 174.473 174.090 0.055 0.000 1.273 247 c CA -0.763 55.575 56.329 0.014 0.000 1.537 247 c CB 0.881 43.408 42.510 0.029 0.000 2.001 247 c HN 1.035 nan 8.230 nan 0.000 0.471 248 S N 0.807 116.524 115.700 0.029 0.000 2.565 248 S HA 0.654 5.127 4.470 0.006 0.000 0.276 248 S C 0.360 174.979 174.600 0.032 0.000 1.326 248 S CA 0.522 58.746 58.200 0.040 0.000 1.045 248 S CB 0.549 63.763 63.200 0.023 0.000 0.918 248 S HN 1.642 nan 8.310 nan 0.000 0.505 249 A N 3.278 126.125 122.820 0.045 0.000 3.754 249 A HA 0.908 5.231 4.320 0.006 0.000 0.177 249 A C -0.241 177.357 177.584 0.023 0.000 1.197 249 A CA -0.505 51.539 52.037 0.011 0.000 1.373 249 A CB 0.421 19.432 19.000 0.019 0.000 1.583 249 A HN 1.078 nan 8.150 nan 0.000 0.668 250 S N -0.375 115.341 115.700 0.027 0.000 2.284 250 S HA 0.245 4.719 4.470 0.006 0.000 0.220 250 S C -1.083 173.534 174.600 0.029 0.000 0.692 250 S CA -0.617 57.601 58.200 0.031 0.000 0.895 250 S CB 0.108 63.326 63.200 0.030 0.000 1.346 250 S HN 0.457 nan 8.310 nan 0.000 0.391 251 M N 3.399 123.022 119.600 0.038 0.000 2.249 251 M HA 0.504 4.987 4.480 0.006 0.000 0.351 251 M C 0.237 176.570 176.300 0.054 0.000 1.180 251 M CA 0.354 55.681 55.300 0.046 0.000 1.127 251 M CB 0.551 33.195 32.600 0.073 0.000 1.546 251 M HN 0.552 nan 8.290 nan 0.000 0.461 252 M N 1.933 121.516 119.600 -0.029 0.000 2.613 252 M HA 0.512 4.996 4.480 0.006 0.000 0.301 252 M C -1.022 175.377 176.300 0.165 0.000 1.205 252 M CA -0.658 54.594 55.300 -0.079 0.000 0.950 252 M CB 1.759 33.962 32.600 -0.662 0.000 1.585 252 M HN 0.573 nan 8.290 nan 0.000 0.490 253 Y N 0.956 121.356 120.300 0.166 0.000 2.558 253 Y HA 0.508 5.061 4.550 0.004 0.000 0.333 253 Y C -1.869 174.138 175.900 0.177 0.000 1.125 253 Y CA -0.696 57.475 58.100 0.119 0.000 1.039 253 Y CB 1.610 40.076 38.460 0.010 0.000 1.331 253 Y HN 0.732 nan 8.280 nan 0.000 0.456 254 Q N 3.295 122.565 119.800 -0.883 0.000 2.617 254 Q HA 0.388 4.732 4.340 0.006 0.000 0.270 254 Q C -2.207 173.336 176.000 -0.763 0.000 0.967 254 Q CA -1.046 54.323 55.803 -0.724 0.000 0.887 254 Q CB 2.121 30.574 28.738 -0.475 0.000 1.516 254 Q HN 0.771 nan 8.270 nan 0.000 0.395 255 E N 0.536 120.446 120.200 -0.484 0.000 2.207 255 E HA 0.817 5.170 4.350 0.006 0.000 0.270 255 E C -0.733 175.790 176.600 -0.128 0.000 0.927 255 E CA -0.549 55.688 56.400 -0.272 0.000 0.799 255 E CB 1.746 31.342 29.700 -0.174 0.000 1.172 255 E HN 0.878 nan 8.360 nan 0.000 0.404 256 G N 0.849 109.615 108.800 -0.057 0.000 2.322 256 G HA2 0.107 4.070 3.960 0.006 0.000 0.295 256 G HA3 0.107 4.070 3.960 0.006 0.000 0.295 256 G C -1.501 173.220 174.900 -0.298 0.000 1.369 256 G CA -0.810 44.160 45.100 -0.217 0.000 0.821 256 G HN 0.347 nan 8.290 nan 0.000 0.536 257 K N -0.384 119.719 120.400 -0.494 0.000 2.276 257 K HA 0.749 5.073 4.320 0.006 0.000 0.283 257 K C -1.154 175.030 176.600 -0.692 0.000 1.044 257 K CA -0.234 55.821 56.287 -0.387 0.000 0.944 257 K CB 0.588 32.922 32.500 -0.276 0.000 1.012 257 K HN 0.401 nan 8.250 nan 0.000 0.472 258 F N -0.008 119.887 119.950 -0.092 0.000 2.645 258 F HA 0.434 4.961 4.527 0.000 0.000 0.310 258 F C 0.497 176.294 175.800 -0.006 0.000 1.102 258 F CA -1.174 56.784 58.000 -0.069 0.000 0.952 258 F CB 1.779 40.716 39.000 -0.105 0.000 1.326 258 F HN 0.242 nan 8.300 nan 0.000 0.456 259 R N 1.542 122.188 120.500 0.243 0.000 2.298 259 R HA 0.463 4.806 4.340 0.006 0.000 0.310 259 R C -1.520 174.915 176.300 0.224 0.000 1.068 259 R CA -0.420 55.783 56.100 0.172 0.000 0.957 259 R CB 1.062 31.435 30.300 0.121 0.000 1.003 259 R HN 0.730 nan 8.270 nan 0.000 0.454 260 Y N 1.185 121.500 120.300 0.027 0.000 2.689 260 Y HA 0.486 5.034 4.550 -0.004 0.000 0.333 260 Y C -1.587 174.295 175.900 -0.029 0.000 1.208 260 Y CA -1.208 56.882 58.100 -0.016 0.000 1.055 260 Y CB 1.866 40.314 38.460 -0.019 0.000 1.304 260 Y HN 0.469 nan 8.280 nan 0.000 0.455 261 R N 3.303 123.260 120.500 -0.905 0.000 3.146 261 R HA 0.232 4.576 4.340 0.006 0.000 0.283 261 R C -1.947 173.930 176.300 -0.705 0.000 1.375 261 R CA -0.509 55.239 56.100 -0.586 0.000 1.029 261 R CB 0.372 30.525 30.300 -0.245 0.000 1.375 261 R HN 0.831 nan 8.270 nan 0.000 0.380 262 R N 3.202 123.345 120.500 -0.596 0.000 2.480 262 R HA 0.311 4.655 4.340 0.006 0.000 0.303 262 R C 0.192 176.362 176.300 -0.217 0.000 0.985 262 R CA 0.648 56.553 56.100 -0.327 0.000 1.051 262 R CB 0.245 30.516 30.300 -0.048 0.000 0.935 262 R HN 0.464 nan 8.270 nan 0.000 0.410 263 V N 1.314 121.090 119.914 -0.230 0.000 3.703 263 V HA 0.808 4.932 4.120 0.006 0.000 0.306 263 V C 0.739 176.791 176.094 -0.070 0.000 1.407 263 V CA -0.299 61.923 62.300 -0.130 0.000 0.974 263 V CB 0.193 31.925 31.823 -0.152 0.000 1.188 263 V HN 1.023 nan 8.190 nan 0.000 0.477 264 A N -0.181 122.655 122.820 0.027 0.000 5.576 264 A HA -0.366 3.958 4.320 0.006 0.000 0.607 264 A C 1.029 178.630 177.584 0.027 0.000 1.614 264 A CA 1.846 53.929 52.037 0.077 0.000 1.893 264 A CB -1.889 17.189 19.000 0.130 0.000 1.543 264 A HN 1.480 nan 8.150 nan 0.000 0.707 265 E N 1.090 121.308 120.200 0.030 0.000 2.594 265 E HA 0.370 4.724 4.350 0.006 0.000 0.300 265 E C 0.929 177.525 176.600 -0.007 0.000 1.568 265 E CA 0.702 57.111 56.400 0.015 0.000 1.811 265 E CB -1.415 28.299 29.700 0.024 0.000 1.458 265 E HN 2.086 nan 8.360 nan 0.000 0.470 266 G N 1.634 110.419 108.800 -0.025 0.000 2.149 266 G HA2 -0.241 3.722 3.960 0.006 0.000 0.235 266 G HA3 -0.241 3.722 3.960 0.006 0.000 0.235 266 G C 0.262 175.119 174.900 -0.071 0.000 1.018 266 G CA 0.304 45.381 45.100 -0.038 0.000 0.728 266 G HN 0.404 nan 8.290 nan 0.000 0.508 267 T N 0.862 115.345 114.554 -0.118 0.000 2.907 267 T HA 0.499 4.852 4.350 0.006 0.000 0.298 267 T C 0.401 174.929 174.700 -0.287 0.000 1.017 267 T CA 0.149 62.135 62.100 -0.190 0.000 1.118 267 T CB 1.335 70.042 68.868 -0.270 0.000 0.948 267 T HN 0.407 nan 8.240 nan 0.000 0.531 268 Q N 1.505 121.144 119.800 -0.268 0.000 2.293 268 Q HA 0.581 4.925 4.340 0.006 0.000 0.261 268 Q C -1.132 174.630 176.000 -0.397 0.000 0.960 268 Q CA -0.760 54.840 55.803 -0.339 0.000 0.882 268 Q CB 1.991 30.666 28.738 -0.105 0.000 1.275 268 Q HN 0.364 nan 8.270 nan 0.000 0.445 269 V N 3.940 123.531 119.914 -0.538 0.000 2.444 269 V HA 0.446 4.570 4.120 0.006 0.000 0.294 269 V C -0.960 174.976 176.094 -0.262 0.000 1.022 269 V CA -0.727 61.335 62.300 -0.397 0.000 0.850 269 V CB 1.509 33.042 31.823 -0.483 0.000 0.992 269 V HN 0.559 nan 8.190 nan 0.000 0.426 270 L N 4.088 125.256 121.223 -0.092 0.000 2.386 270 L HA 0.677 5.021 4.340 0.006 0.000 0.271 270 L C -0.435 176.441 176.870 0.011 0.000 0.993 270 L CA -0.052 54.789 54.840 0.002 0.000 0.819 270 L CB 2.032 44.085 42.059 -0.010 0.000 1.294 270 L HN 0.776 nan 8.230 nan 0.000 0.414 271 E N 4.551 124.778 120.200 0.044 0.000 2.166 271 E HA 0.525 4.878 4.350 0.006 0.000 0.275 271 E C -1.625 175.013 176.600 0.064 0.000 0.941 271 E CA -0.586 55.861 56.400 0.079 0.000 0.784 271 E CB 1.199 30.965 29.700 0.110 0.000 1.115 271 E HN 0.698 nan 8.360 nan 0.000 0.399 272 L N 7.109 128.364 121.223 0.053 0.000 2.417 272 L HA 0.396 4.739 4.340 0.006 0.000 0.259 272 L C -2.223 174.711 176.870 0.107 0.000 1.023 272 L CA -2.044 52.787 54.840 -0.016 0.000 0.901 272 L CB 1.355 43.213 42.059 -0.335 0.000 1.227 272 L HN 0.405 nan 8.230 nan 0.000 0.454 273 P HA 0.109 nan 4.420 nan 0.000 0.271 273 P C -0.787 176.613 177.300 0.165 0.000 1.218 273 P CA 0.111 63.317 63.100 0.177 0.000 0.780 273 P CB 0.766 32.569 31.700 0.172 0.000 0.901 274 F N 0.125 120.267 119.950 0.319 0.000 2.408 274 F HA 0.195 4.727 4.527 0.008 0.000 0.325 274 F C 1.314 177.224 175.800 0.184 0.000 1.082 274 F CA -0.601 57.554 58.000 0.257 0.000 1.032 274 F CB 0.697 39.830 39.000 0.221 0.000 1.259 274 F HN -0.022 nan 8.300 nan 0.000 0.503 275 K N 1.052 121.658 120.400 0.343 0.000 2.320 275 K HA 0.364 4.688 4.320 0.006 0.000 0.273 275 K C 0.724 177.440 176.600 0.193 0.000 1.146 275 K CA 0.670 57.082 56.287 0.209 0.000 1.144 275 K CB -0.652 31.939 32.500 0.151 0.000 0.878 275 K HN 1.004 nan 8.250 nan 0.000 0.458 276 G N 1.098 110.000 108.800 0.170 0.000 3.211 276 G HA2 -0.153 3.811 3.960 0.006 0.000 0.202 276 G HA3 -0.153 3.811 3.960 0.006 0.000 0.202 276 G C 0.233 175.219 174.900 0.144 0.000 1.035 276 G CA 0.071 45.258 45.100 0.145 0.000 0.846 276 G HN 0.636 nan 8.290 nan 0.000 0.464 277 D N 0.812 121.321 120.400 0.181 0.000 2.946 277 D HA -0.188 4.455 4.640 0.006 0.000 0.202 277 D C 1.144 177.538 176.300 0.157 0.000 1.068 277 D CA 1.787 55.883 54.000 0.160 0.000 1.011 277 D CB -1.117 39.749 40.800 0.110 0.000 1.105 277 D HN 0.685 nan 8.370 nan 0.000 0.425 278 D N 0.530 121.028 120.400 0.163 0.000 2.271 278 D HA 0.009 4.653 4.640 0.006 0.000 0.206 278 D C 1.142 177.537 176.300 0.157 0.000 0.967 278 D CA 0.313 54.395 54.000 0.136 0.000 0.867 278 D CB 0.406 41.272 40.800 0.110 0.000 0.960 278 D HN 0.320 nan 8.370 nan 0.000 0.509 279 I N 1.478 122.188 120.570 0.233 0.000 2.410 279 I HA 0.235 4.409 4.170 0.006 0.000 0.286 279 I C -0.453 175.969 176.117 0.508 0.000 1.009 279 I CA -0.500 60.950 61.300 0.251 0.000 1.111 279 I CB 2.028 40.126 38.000 0.163 0.000 1.262 279 I HN -0.107 nan 8.210 nan 0.000 0.443 280 T N 3.312 118.108 114.554 0.405 0.000 2.907 280 T HA 0.616 4.970 4.350 0.006 0.000 0.292 280 T C -0.607 174.355 174.700 0.436 0.000 1.043 280 T CA -0.871 61.494 62.100 0.441 0.000 1.003 280 T CB 2.269 71.294 68.868 0.261 0.000 1.084 280 T HN 0.529 nan 8.240 nan 0.000 0.483 281 M N 3.030 122.884 119.600 0.423 0.000 2.180 281 M HA 0.625 5.109 4.480 0.006 0.000 0.350 281 M C -1.740 174.742 176.300 0.303 0.000 1.125 281 M CA -0.728 54.828 55.300 0.425 0.000 1.031 281 M CB 0.995 33.909 32.600 0.523 0.000 1.623 281 M HN 0.578 nan 8.290 nan 0.000 0.451 282 V N 6.778 126.887 119.914 0.325 0.000 2.409 282 V HA 0.452 4.575 4.120 0.006 0.000 0.291 282 V C -0.191 176.105 176.094 0.336 0.000 1.020 282 V CA -0.667 61.787 62.300 0.256 0.000 0.848 282 V CB 1.678 33.604 31.823 0.173 0.000 0.990 282 V HN 0.842 nan 8.190 nan 0.000 0.430 283 L N 5.690 127.042 121.223 0.215 0.000 2.375 283 L HA 0.658 5.002 4.340 0.006 0.000 0.268 283 L C -0.530 176.428 176.870 0.148 0.000 1.058 283 L CA -0.620 54.353 54.840 0.221 0.000 0.803 283 L CB 1.637 43.727 42.059 0.052 0.000 1.212 283 L HN 0.465 nan 8.230 nan 0.000 0.451 284 I N 3.284 123.960 120.570 0.178 0.000 2.588 284 I HA 0.228 4.401 4.170 0.006 0.000 0.278 284 I C -1.024 175.140 176.117 0.078 0.000 1.144 284 I CA -0.175 61.155 61.300 0.051 0.000 1.074 284 I CB 1.406 39.474 38.000 0.113 0.000 1.235 284 I HN 0.349 nan 8.210 nan 0.000 0.472 285 L N 6.649 127.864 121.223 -0.012 0.000 2.322 285 L HA 0.759 5.102 4.340 0.006 0.000 0.281 285 L C -2.606 174.246 176.870 -0.029 0.000 1.014 285 L CA -1.848 53.006 54.840 0.023 0.000 0.815 285 L CB 1.463 43.505 42.059 -0.027 0.000 1.247 285 L HN 0.182 nan 8.230 nan 0.000 0.421 286 P HA 0.078 nan 4.420 nan 0.000 0.281 286 P C -0.513 176.782 177.300 -0.008 0.000 1.264 286 P CA -0.571 62.523 63.100 -0.010 0.000 0.824 286 P CB 1.484 33.200 31.700 0.026 0.000 1.092 287 K N 2.491 122.882 120.400 -0.015 0.000 2.550 287 K HA -0.023 4.300 4.320 0.006 0.000 0.280 287 K C -1.717 174.880 176.600 -0.005 0.000 0.987 287 K CA -0.019 56.261 56.287 -0.011 0.000 1.048 287 K CB -1.183 31.311 32.500 -0.009 0.000 0.879 287 K HN 0.406 nan 8.250 nan 0.000 0.491 288 P HA -0.256 nan 4.420 nan 0.000 0.218 288 P C 1.597 178.889 177.300 -0.014 0.000 1.154 288 P CA 2.553 65.645 63.100 -0.013 0.000 0.872 288 P CB -0.004 31.682 31.700 -0.022 0.000 0.790 289 E N 0.051 120.243 120.200 -0.013 0.000 2.001 289 E HA -0.055 4.298 4.350 0.006 0.000 0.195 289 E C 1.453 178.050 176.600 -0.005 0.000 1.002 289 E CA 1.772 58.165 56.400 -0.012 0.000 0.819 289 E CB -1.719 27.975 29.700 -0.011 0.000 0.769 289 E HN 0.413 nan 8.360 nan 0.000 0.454 290 K N 0.544 120.945 120.400 0.001 0.000 2.274 290 K HA 0.417 4.740 4.320 0.006 0.000 0.255 290 K C 0.708 177.318 176.600 0.016 0.000 1.005 290 K CA 0.335 56.627 56.287 0.009 0.000 0.864 290 K CB -0.095 32.413 32.500 0.014 0.000 1.013 290 K HN 1.135 nan 8.250 nan 0.000 0.519 291 S N -0.862 114.853 115.700 0.024 0.000 2.634 291 S HA 0.569 5.043 4.470 0.006 0.000 0.296 291 S C 0.944 175.573 174.600 0.048 0.000 1.104 291 S CA -0.814 57.406 58.200 0.033 0.000 0.920 291 S CB 1.240 64.454 63.200 0.024 0.000 1.111 291 S HN 0.433 nan 8.310 nan 0.000 0.493 292 L N 1.259 122.519 121.223 0.062 0.000 2.079 292 L HA -0.079 4.265 4.340 0.006 0.000 0.210 292 L C 3.059 179.978 176.870 0.081 0.000 1.081 292 L CA 2.313 57.204 54.840 0.085 0.000 0.752 292 L CB -2.555 39.562 42.059 0.096 0.000 0.896 292 L HN 1.021 nan 8.230 nan 0.000 0.433 293 A N 0.566 123.418 122.820 0.053 0.000 1.883 293 A HA -0.391 3.932 4.320 0.006 0.000 0.232 293 A C 2.435 180.046 177.584 0.045 0.000 1.671 293 A CA 3.007 55.066 52.037 0.036 0.000 0.748 293 A CB -0.950 18.060 19.000 0.016 0.000 0.850 293 A HN 0.450 nan 8.150 nan 0.000 0.488 294 K N -0.828 119.600 120.400 0.047 0.000 2.362 294 K HA 0.011 4.334 4.320 0.006 0.000 0.200 294 K C 1.688 178.340 176.600 0.087 0.000 1.046 294 K CA 1.218 57.536 56.287 0.052 0.000 0.952 294 K CB -0.186 32.341 32.500 0.046 0.000 0.753 294 K HN 0.351 nan 8.250 nan 0.000 0.466 295 V N 1.412 121.398 119.914 0.120 0.000 2.407 295 V HA -0.153 3.971 4.120 0.006 0.000 0.245 295 V C 1.862 178.069 176.094 0.189 0.000 1.041 295 V CA 1.600 64.016 62.300 0.194 0.000 1.040 295 V CB -0.263 31.687 31.823 0.211 0.000 0.671 295 V HN 0.347 nan 8.190 nan 0.000 0.455 296 E N 0.342 120.640 120.200 0.163 0.000 2.047 296 E HA -0.214 4.139 4.350 0.006 0.000 0.191 296 E C 2.329 178.999 176.600 0.115 0.000 0.987 296 E CA 1.437 57.951 56.400 0.190 0.000 0.799 296 E CB -0.244 29.584 29.700 0.214 0.000 0.752 296 E HN 0.360 nan 8.360 nan 0.000 0.449 297 K N 1.115 121.551 120.400 0.059 0.000 2.360 297 K HA -0.172 4.152 4.320 0.006 0.000 0.201 297 K C 1.274 177.877 176.600 0.004 0.000 1.046 297 K CA 1.355 57.647 56.287 0.009 0.000 0.940 297 K CB -0.244 32.253 32.500 -0.006 0.000 0.748 297 K HN 0.275 nan 8.250 nan 0.000 0.465 298 E N -0.874 119.341 120.200 0.026 0.000 2.526 298 E HA 0.170 4.524 4.350 0.006 0.000 0.208 298 E C -0.397 176.175 176.600 -0.047 0.000 0.997 298 E CA -0.346 56.048 56.400 -0.010 0.000 0.961 298 E CB 0.445 30.146 29.700 0.002 0.000 1.030 298 E HN 0.173 nan 8.360 nan 0.000 0.483 299 L N 2.400 123.623 121.223 0.001 0.000 2.534 299 L HA 0.095 4.438 4.340 0.006 0.000 0.271 299 L C 0.025 176.866 176.870 -0.049 0.000 1.178 299 L CA 0.977 55.806 54.840 -0.018 0.000 0.907 299 L CB 0.347 42.463 42.059 0.095 0.000 1.164 299 L HN 0.001 nan 8.230 nan 0.000 0.482 300 T N 1.799 116.283 114.554 -0.118 0.000 2.868 300 T HA 0.520 4.873 4.350 0.006 0.000 0.306 300 T C -2.320 172.298 174.700 -0.136 0.000 1.224 300 T CA -1.370 60.668 62.100 -0.104 0.000 1.012 300 T CB 1.709 70.511 68.868 -0.110 0.000 1.221 300 T HN 0.293 nan 8.240 nan 0.000 0.499 301 P HA -0.075 nan 4.420 nan 0.000 0.219 301 P C 1.176 178.392 177.300 -0.140 0.000 1.146 301 P CA 1.059 64.085 63.100 -0.122 0.000 0.808 301 P CB 0.172 31.806 31.700 -0.110 0.000 0.779 302 E N -0.810 119.307 120.200 -0.138 0.000 2.086 302 E HA -0.050 4.303 4.350 0.006 0.000 0.190 302 E C 2.184 178.652 176.600 -0.220 0.000 0.975 302 E CA 0.720 57.041 56.400 -0.132 0.000 0.813 302 E CB -1.466 28.175 29.700 -0.099 0.000 0.768 302 E HN 0.085 nan 8.360 nan 0.000 0.457 303 V N 2.728 122.454 119.914 -0.313 0.000 2.231 303 V HA -0.233 3.891 4.120 0.006 0.000 0.248 303 V C 2.470 178.128 176.094 -0.727 0.000 1.054 303 V CA 1.674 63.630 62.300 -0.573 0.000 1.015 303 V CB -0.640 30.804 31.823 -0.631 0.000 0.638 303 V HN 0.255 nan 8.190 nan 0.000 0.444 304 L N 0.086 120.997 121.223 -0.521 0.000 2.187 304 L HA -0.219 4.125 4.340 0.006 0.000 0.213 304 L C 2.344 179.114 176.870 -0.166 0.000 1.100 304 L CA 2.281 56.931 54.840 -0.317 0.000 0.765 304 L CB -0.702 41.181 42.059 -0.292 0.000 0.904 304 L HN 0.498 nan 8.230 nan 0.000 0.437 305 Q N 0.142 119.841 119.800 -0.169 0.000 2.123 305 Q HA -0.192 4.152 4.340 0.006 0.000 0.196 305 Q C 1.953 177.928 176.000 -0.041 0.000 0.958 305 Q CA 1.638 57.397 55.803 -0.074 0.000 0.841 305 Q CB 0.060 28.766 28.738 -0.053 0.000 0.915 305 Q HN 0.457 nan 8.270 nan 0.000 0.455 306 E N -0.586 119.548 120.200 -0.110 0.000 2.033 306 E HA -0.203 4.151 4.350 0.006 0.000 0.199 306 E C 1.397 178.039 176.600 0.070 0.000 1.011 306 E CA 1.978 58.338 56.400 -0.067 0.000 0.815 306 E CB -0.380 29.213 29.700 -0.179 0.000 0.755 306 E HN 0.456 nan 8.360 nan 0.000 0.451 307 W N 0.545 121.816 121.300 -0.048 0.000 2.338 307 W HA -0.141 4.525 4.660 0.009 0.000 0.304 307 W C 2.169 178.655 176.519 -0.055 0.000 1.212 307 W CA 0.766 58.075 57.345 -0.059 0.000 1.264 307 W CB -1.148 28.267 29.460 -0.075 0.000 1.142 307 W HN 0.214 nan 8.180 nan 0.000 0.512 308 L N -0.097 121.236 121.223 0.183 0.000 2.265 308 L HA -0.201 4.143 4.340 0.006 0.000 0.215 308 L C 1.885 178.801 176.870 0.076 0.000 1.117 308 L CA 1.206 56.103 54.840 0.096 0.000 0.782 308 L CB -0.635 41.454 42.059 0.050 0.000 0.914 308 L HN -0.087 nan 8.230 nan 0.000 0.441 309 D N -0.199 120.246 120.400 0.075 0.000 2.183 309 D HA -0.112 4.531 4.640 0.006 0.000 0.205 309 D C 1.935 178.269 176.300 0.057 0.000 0.962 309 D CA 0.830 54.865 54.000 0.058 0.000 0.849 309 D CB 0.096 40.923 40.800 0.046 0.000 0.978 309 D HN 0.429 nan 8.370 nan 0.000 0.488 310 E N 0.737 120.980 120.200 0.072 0.000 2.204 310 E HA -0.031 4.323 4.350 0.006 0.000 0.194 310 E C 0.645 177.267 176.600 0.037 0.000 0.989 310 E CA 0.056 56.489 56.400 0.055 0.000 0.824 310 E CB 0.084 29.823 29.700 0.065 0.000 0.756 310 E HN 0.257 nan 8.360 nan 0.000 0.477 311 L N 2.876 124.121 121.223 0.038 0.000 2.791 311 L HA -0.030 4.314 4.340 0.006 0.000 0.276 311 L C 0.240 177.142 176.870 0.052 0.000 1.136 311 L CA 0.337 55.197 54.840 0.034 0.000 1.008 311 L CB -0.423 41.663 42.059 0.045 0.000 1.348 311 L HN 0.045 nan 8.230 nan 0.000 0.476 312 E N 2.842 123.079 120.200 0.061 0.000 2.191 312 E HA 0.199 4.553 4.350 0.006 0.000 0.274 312 E C -0.361 176.287 176.600 0.080 0.000 0.948 312 E CA -0.626 55.810 56.400 0.060 0.000 0.802 312 E CB 1.307 31.039 29.700 0.053 0.000 1.137 312 E HN 0.419 nan 8.360 nan 0.000 0.397 313 E N 2.956 123.189 120.200 0.055 0.000 2.413 313 E HA 0.180 4.534 4.350 0.006 0.000 0.263 313 E C -0.779 175.847 176.600 0.044 0.000 1.015 313 E CA 0.233 56.661 56.400 0.046 0.000 0.916 313 E CB 0.510 30.212 29.700 0.003 0.000 0.947 313 E HN 0.470 nan 8.360 nan 0.000 0.440 314 M N 4.131 123.757 119.600 0.043 0.000 2.465 314 M HA 0.262 4.745 4.480 0.006 0.000 0.284 314 M C -1.480 174.803 176.300 -0.029 0.000 1.212 314 M CA -0.816 54.490 55.300 0.011 0.000 0.910 314 M CB 1.788 34.408 32.600 0.034 0.000 1.725 314 M HN 0.472 nan 8.290 nan 0.000 0.477 315 M N 5.555 125.122 119.600 -0.055 0.000 2.200 315 M HA 0.528 5.012 4.480 0.006 0.000 0.355 315 M C -1.129 175.115 176.300 -0.094 0.000 1.283 315 M CA -0.020 55.238 55.300 -0.070 0.000 1.124 315 M CB 0.025 32.587 32.600 -0.065 0.000 1.625 315 M HN 0.733 nan 8.290 nan 0.000 0.463 316 L N 2.230 123.405 121.223 -0.080 0.000 2.869 316 L HA 0.673 5.016 4.340 0.006 0.000 0.265 316 L C -1.677 175.104 176.870 -0.149 0.000 1.011 316 L CA -1.084 53.664 54.840 -0.153 0.000 0.913 316 L CB 1.608 43.480 42.059 -0.311 0.000 1.490 316 L HN 0.269 nan 8.230 nan 0.000 0.410 317 V N 1.583 121.379 119.914 -0.197 0.000 2.509 317 V HA 0.575 4.699 4.120 0.006 0.000 0.284 317 V C 0.067 175.959 176.094 -0.336 0.000 1.047 317 V CA -0.476 61.662 62.300 -0.270 0.000 0.952 317 V CB 1.453 33.183 31.823 -0.155 0.000 0.988 317 V HN 0.506 nan 8.190 nan 0.000 0.469 318 V N 3.989 123.617 119.914 -0.477 0.000 2.487 318 V HA 0.431 4.554 4.120 0.006 0.000 0.298 318 V C -0.841 175.054 176.094 -0.331 0.000 1.028 318 V CA -0.586 61.477 62.300 -0.397 0.000 0.860 318 V CB 1.572 33.089 31.823 -0.510 0.000 0.991 318 V HN 0.944 nan 8.190 nan 0.000 0.427 319 H N 4.762 123.787 119.070 -0.075 0.000 2.587 319 H HA 0.706 5.265 4.556 0.005 0.000 0.325 319 H C -0.311 174.962 175.328 -0.092 0.000 1.012 319 H CA -0.290 55.755 56.048 -0.004 0.000 1.213 319 H CB 1.642 31.419 29.762 0.024 0.000 1.431 319 H HN 0.679 nan 8.280 nan 0.000 0.492 320 M N 5.965 125.559 119.600 -0.010 0.000 2.386 320 M HA 0.489 4.973 4.480 0.006 0.000 0.293 320 M C -2.999 173.239 176.300 -0.104 0.000 1.120 320 M CA -2.036 53.193 55.300 -0.120 0.000 0.909 320 M CB 2.640 35.126 32.600 -0.190 0.000 1.661 320 M HN 0.246 nan 8.290 nan 0.000 0.452 321 P HA 0.127 nan 4.420 nan 0.000 0.275 321 P C -1.595 175.843 177.300 0.229 0.000 1.227 321 P CA -0.134 63.005 63.100 0.065 0.000 0.781 321 P CB 0.658 32.345 31.700 -0.020 0.000 0.906 322 R N 4.392 124.968 120.500 0.126 0.000 2.235 322 R HA 0.373 4.716 4.340 0.006 0.000 0.338 322 R C -0.718 175.686 176.300 0.174 0.000 1.087 322 R CA -0.319 55.835 56.100 0.091 0.000 0.948 322 R CB -0.504 29.801 30.300 0.008 0.000 1.099 322 R HN 0.463 nan 8.270 nan 0.000 0.483 323 F N 1.410 121.323 119.950 -0.061 0.000 2.824 323 F HA 0.687 5.217 4.527 0.005 0.000 0.330 323 F C -1.549 174.172 175.800 -0.132 0.000 1.175 323 F CA -1.738 56.206 58.000 -0.094 0.000 0.974 323 F CB 0.917 39.844 39.000 -0.120 0.000 1.430 323 F HN 0.379 nan 8.300 nan 0.000 0.507 324 R N 1.526 121.888 120.500 -0.230 0.000 2.536 324 R HA 0.741 5.084 4.340 0.006 0.000 0.269 324 R C -2.243 173.916 176.300 -0.236 0.000 1.113 324 R CA -0.657 55.174 56.100 -0.449 0.000 0.948 324 R CB 1.596 31.699 30.300 -0.328 0.000 1.237 324 R HN 1.185 nan 8.270 nan 0.000 0.441 325 I N -1.041 119.298 120.570 -0.386 0.000 2.686 325 I HA 0.640 4.814 4.170 0.006 0.000 0.295 325 I C -1.180 174.760 176.117 -0.296 0.000 1.114 325 I CA -0.866 60.303 61.300 -0.219 0.000 1.038 325 I CB 2.790 40.740 38.000 -0.082 0.000 1.238 325 I HN 0.744 nan 8.210 nan 0.000 0.420 326 E N 3.162 123.325 120.200 -0.062 0.000 2.244 326 E HA 0.599 4.953 4.350 0.006 0.000 0.266 326 E C -1.655 175.062 176.600 0.195 0.000 0.914 326 E CA -0.771 55.693 56.400 0.107 0.000 0.794 326 E CB 2.388 32.203 29.700 0.190 0.000 1.210 326 E HN 0.651 nan 8.360 nan 0.000 0.414 327 D N 0.003 120.586 120.400 0.305 0.000 2.927 327 D HA 0.522 5.165 4.640 0.006 0.000 0.219 327 D C -1.353 175.165 176.300 0.363 0.000 1.248 327 D CA -0.332 53.877 54.000 0.348 0.000 0.861 327 D CB 1.819 42.883 40.800 0.441 0.000 1.677 327 D HN 0.506 nan 8.370 nan 0.000 0.511 328 G N 0.879 109.893 108.800 0.357 0.000 2.619 328 G HA2 0.823 4.787 3.960 0.006 0.000 0.296 328 G HA3 0.823 4.787 3.960 0.006 0.000 0.296 328 G C -1.275 173.893 174.900 0.447 0.000 1.334 328 G CA -0.768 44.492 45.100 0.267 0.000 0.934 328 G HN 0.611 nan 8.290 nan 0.000 0.476 329 F N -1.530 118.583 119.950 0.272 0.000 3.394 329 F HA 0.739 5.270 4.527 0.006 0.000 0.329 329 F C -0.861 175.128 175.800 0.315 0.000 1.063 329 F CA -1.153 57.001 58.000 0.257 0.000 0.832 329 F CB 1.165 40.290 39.000 0.207 0.000 1.530 329 F HN 0.744 nan 8.300 nan 0.000 0.459 330 S N 0.626 116.654 115.700 0.547 0.000 2.451 330 S HA 0.609 5.083 4.470 0.006 0.000 0.301 330 S C 0.030 174.867 174.600 0.395 0.000 1.116 330 S CA -0.749 57.633 58.200 0.303 0.000 1.093 330 S CB 1.126 64.418 63.200 0.152 0.000 1.017 330 S HN 0.778 nan 8.310 nan 0.000 0.482 331 L N 3.699 125.102 121.223 0.299 0.000 2.492 331 L HA 0.074 4.418 4.340 0.006 0.000 0.223 331 L C 2.701 179.683 176.870 0.187 0.000 1.132 331 L CA 0.045 55.129 54.840 0.408 0.000 0.850 331 L CB -0.604 41.741 42.059 0.476 0.000 0.966 331 L HN 0.670 nan 8.230 nan 0.000 0.454 332 K N 1.012 121.390 120.400 -0.036 0.000 1.977 332 K HA -0.277 4.047 4.320 0.006 0.000 0.218 332 K C 2.363 178.706 176.600 -0.429 0.000 1.051 332 K CA 2.149 58.129 56.287 -0.511 0.000 0.953 332 K CB -0.720 31.509 32.500 -0.452 0.000 0.727 332 K HN 0.524 nan 8.250 nan 0.000 0.445 333 E N 0.570 120.636 120.200 -0.223 0.000 2.037 333 E HA -0.374 3.980 4.350 0.006 0.000 0.214 333 E C 2.119 178.619 176.600 -0.167 0.000 1.041 333 E CA 2.441 58.739 56.400 -0.171 0.000 0.872 333 E CB -1.368 28.270 29.700 -0.103 0.000 0.785 333 E HN 0.724 nan 8.360 nan 0.000 0.476 334 Q N 0.204 119.914 119.800 -0.150 0.000 2.077 334 Q HA 0.012 4.356 4.340 0.006 0.000 0.206 334 Q C 2.420 178.301 176.000 -0.197 0.000 0.989 334 Q CA 1.500 57.165 55.803 -0.230 0.000 0.853 334 Q CB -0.405 28.090 28.738 -0.405 0.000 0.907 334 Q HN 0.609 nan 8.270 nan 0.000 0.418 335 L N 0.179 121.384 121.223 -0.031 0.000 2.187 335 L HA -0.274 4.069 4.340 0.006 0.000 0.213 335 L C 2.239 179.119 176.870 0.016 0.000 1.100 335 L CA 1.240 56.116 54.840 0.060 0.000 0.765 335 L CB -0.213 42.000 42.059 0.256 0.000 0.904 335 L HN 0.398 nan 8.230 nan 0.000 0.437 336 Q N -0.475 119.273 119.800 -0.085 0.000 2.033 336 Q HA -0.173 4.170 4.340 0.006 0.000 0.196 336 Q C 1.701 177.657 176.000 -0.074 0.000 0.970 336 Q CA 1.501 57.270 55.803 -0.057 0.000 0.828 336 Q CB -0.066 28.586 28.738 -0.143 0.000 0.895 336 Q HN 0.420 nan 8.270 nan 0.000 0.440 337 D N 0.602 120.927 120.400 -0.125 0.000 2.228 337 D HA -0.165 4.478 4.640 0.006 0.000 0.203 337 D C 1.313 177.514 176.300 -0.166 0.000 0.988 337 D CA 1.230 55.160 54.000 -0.117 0.000 0.864 337 D CB -0.005 40.732 40.800 -0.105 0.000 0.928 337 D HN 0.200 nan 8.370 nan 0.000 0.469 338 M N -1.054 118.382 119.600 -0.273 0.000 2.618 338 M HA 0.151 4.635 4.480 0.006 0.000 0.240 338 M C 1.121 177.352 176.300 -0.114 0.000 1.123 338 M CA 0.525 55.650 55.300 -0.292 0.000 1.060 338 M CB 0.592 32.953 32.600 -0.399 0.000 1.535 338 M HN 0.249 nan 8.290 nan 0.000 0.507 339 G N 0.915 109.683 108.800 -0.053 0.000 2.201 339 G HA2 -0.213 3.751 3.960 0.006 0.000 0.212 339 G HA3 -0.213 3.751 3.960 0.006 0.000 0.212 339 G C -0.172 174.755 174.900 0.045 0.000 0.994 339 G CA -0.525 44.574 45.100 -0.001 0.000 0.644 339 G HN 0.336 nan 8.290 nan 0.000 0.508 340 L N 2.855 124.125 121.223 0.077 0.000 2.356 340 L HA 0.609 4.952 4.340 0.006 0.000 0.282 340 L C 1.547 178.579 176.870 0.270 0.000 1.132 340 L CA 0.505 55.446 54.840 0.168 0.000 0.923 340 L CB 0.951 43.144 42.059 0.223 0.000 1.278 340 L HN 0.533 nan 8.230 nan 0.000 0.436 341 V N -0.002 120.031 119.914 0.199 0.000 2.721 341 V HA 0.149 4.272 4.120 0.006 0.000 0.236 341 V C 1.657 177.882 176.094 0.219 0.000 1.116 341 V CA 0.615 63.048 62.300 0.223 0.000 1.148 341 V CB -0.726 31.170 31.823 0.122 0.000 0.886 341 V HN 0.491 nan 8.190 nan 0.000 0.490 342 D N 1.130 121.609 120.400 0.131 0.000 2.303 342 D HA -0.289 4.355 4.640 0.006 0.000 0.190 342 D C 1.970 178.325 176.300 0.091 0.000 1.011 342 D CA 2.584 56.641 54.000 0.096 0.000 0.860 342 D CB -0.628 40.209 40.800 0.062 0.000 0.961 342 D HN 0.428 nan 8.370 nan 0.000 0.453 343 L N -0.688 120.554 121.223 0.031 0.000 2.151 343 L HA -0.220 4.123 4.340 0.006 0.000 0.215 343 L C 1.789 178.584 176.870 -0.124 0.000 1.084 343 L CA 1.617 56.402 54.840 -0.093 0.000 0.764 343 L CB -0.304 41.623 42.059 -0.220 0.000 0.891 343 L HN 0.050 nan 8.230 nan 0.000 0.435 344 F N -1.719 118.315 119.950 0.140 0.000 2.743 344 F HA 0.194 4.724 4.527 0.006 0.000 0.297 344 F C 1.611 177.523 175.800 0.187 0.000 1.131 344 F CA 0.306 58.400 58.000 0.158 0.000 1.426 344 F CB -0.393 38.675 39.000 0.114 0.000 1.116 344 F HN -0.034 nan 8.300 nan 0.000 0.583 345 S N 1.364 117.226 115.700 0.269 0.000 2.474 345 S HA 0.171 4.644 4.470 0.006 0.000 0.276 345 S C -1.691 172.931 174.600 0.037 0.000 1.227 345 S CA -1.417 56.867 58.200 0.140 0.000 1.050 345 S CB 0.882 64.135 63.200 0.089 0.000 0.939 345 S HN -0.129 nan 8.310 nan 0.000 0.490 346 P HA -0.000 nan 4.420 nan 0.000 0.231 346 P C 0.209 177.337 177.300 -0.287 0.000 1.158 346 P CA 0.832 63.550 63.100 -0.636 0.000 0.763 346 P CB 0.295 31.555 31.700 -0.733 0.000 0.805 347 E N -0.709 119.417 120.200 -0.124 0.000 2.110 347 E HA 0.066 4.419 4.350 0.006 0.000 0.194 347 E C 2.374 178.964 176.600 -0.017 0.000 0.944 347 E CA 1.048 57.410 56.400 -0.064 0.000 0.899 347 E CB -1.247 28.427 29.700 -0.043 0.000 0.907 347 E HN -0.091 nan 8.360 nan 0.000 0.473 348 K N 1.163 121.567 120.400 0.007 0.000 2.280 348 K HA 0.048 4.371 4.320 0.006 0.000 0.202 348 K C 1.420 178.042 176.600 0.036 0.000 1.047 348 K CA 1.036 57.338 56.287 0.025 0.000 0.942 348 K CB -1.020 31.503 32.500 0.037 0.000 0.739 348 K HN 0.110 nan 8.250 nan 0.000 0.457 349 S N 1.301 117.032 115.700 0.052 0.000 2.575 349 S HA 0.154 4.628 4.470 0.006 0.000 0.295 349 S C -0.544 174.079 174.600 0.039 0.000 1.267 349 S CA 0.013 58.250 58.200 0.060 0.000 1.074 349 S CB 0.066 63.340 63.200 0.125 0.000 0.829 349 S HN 0.391 nan 8.310 nan 0.000 0.497 350 K N 6.188 126.601 120.400 0.022 0.000 2.530 350 K HA 0.425 4.748 4.320 0.006 0.000 0.230 350 K C -0.537 176.058 176.600 -0.009 0.000 1.002 350 K CA -0.372 55.922 56.287 0.011 0.000 1.014 350 K CB 0.618 33.128 32.500 0.017 0.000 1.286 350 K HN 0.700 nan 8.250 nan 0.000 0.480 351 L N 3.768 124.976 121.223 -0.024 0.000 2.637 351 L HA 0.291 4.634 4.340 0.006 0.000 0.241 351 L C -1.475 175.348 176.870 -0.078 0.000 1.398 351 L CA -1.550 53.251 54.840 -0.066 0.000 0.895 351 L CB 1.604 43.608 42.059 -0.093 0.000 1.183 351 L HN 0.359 nan 8.230 nan 0.000 0.497 352 P HA -0.028 nan 4.420 nan 0.000 0.231 352 P C 1.217 178.475 177.300 -0.070 0.000 1.168 352 P CA 0.613 63.682 63.100 -0.051 0.000 0.779 352 P CB 0.484 32.169 31.700 -0.024 0.000 0.844 353 G N -0.300 108.442 108.800 -0.096 0.000 3.124 353 G HA2 0.075 4.039 3.960 0.006 0.000 0.212 353 G HA3 0.075 4.039 3.960 0.006 0.000 0.212 353 G C 1.238 176.013 174.900 -0.209 0.000 1.181 353 G CA -0.028 45.016 45.100 -0.092 0.000 0.803 353 G HN 0.241 nan 8.290 nan 0.000 0.529 354 I N -0.482 119.913 120.570 -0.293 0.000 2.899 354 I HA 0.072 4.245 4.170 0.006 0.000 0.257 354 I C 0.685 176.800 176.117 -0.003 0.000 1.115 354 I CA 0.366 61.443 61.300 -0.372 0.000 1.451 354 I CB 0.315 38.036 38.000 -0.465 0.000 1.251 354 I HN -0.196 nan 8.210 nan 0.000 0.456 355 V N 2.817 122.695 119.914 -0.061 0.000 2.096 355 V HA 0.329 4.453 4.120 0.006 0.000 0.259 355 V C 1.327 177.360 176.094 -0.101 0.000 1.420 355 V CA 0.287 62.507 62.300 -0.133 0.000 1.336 355 V CB -0.681 31.040 31.823 -0.171 0.000 1.394 355 V HN 0.469 nan 8.190 nan 0.000 0.494 356 A N 3.195 125.984 122.820 -0.051 0.000 1.413 356 A HA -0.455 3.868 4.320 0.006 0.000 0.377 356 A C 2.161 179.723 177.584 -0.036 0.000 5.302 356 A CA 3.368 55.388 52.037 -0.029 0.000 1.029 356 A CB -1.509 17.469 19.000 -0.037 0.000 0.656 356 A HN 1.161 nan 8.150 nan 0.000 0.516 357 E N -1.240 118.929 120.200 -0.052 0.000 2.394 357 E HA 0.204 4.557 4.350 0.006 0.000 0.202 357 E C 2.433 179.013 176.600 -0.034 0.000 1.029 357 E CA 2.019 58.394 56.400 -0.041 0.000 0.855 357 E CB -1.568 28.102 29.700 -0.049 0.000 0.770 357 E HN 2.786 nan 8.360 nan 0.000 0.527 358 G N -0.330 108.447 108.800 -0.037 0.000 2.141 358 G HA2 -0.341 3.623 3.960 0.006 0.000 0.242 358 G HA3 -0.341 3.623 3.960 0.006 0.000 0.242 358 G C 0.509 175.389 174.900 -0.032 0.000 0.982 358 G CA 0.500 45.581 45.100 -0.031 0.000 0.662 358 G HN 0.842 nan 8.290 nan 0.000 0.527 359 R N 0.241 120.716 120.500 -0.041 0.000 2.545 359 R HA 0.137 4.481 4.340 0.006 0.000 0.269 359 R C -0.265 176.021 176.300 -0.024 0.000 0.970 359 R CA 1.500 57.579 56.100 -0.035 0.000 1.096 359 R CB 0.023 30.294 30.300 -0.049 0.000 0.889 359 R HN 0.156 nan 8.270 nan 0.000 0.422 360 D N 0.921 121.314 120.400 -0.011 0.000 2.992 360 D HA 0.113 4.757 4.640 0.006 0.000 0.372 360 D C -1.101 175.206 176.300 0.013 0.000 1.374 360 D CA -0.246 53.753 54.000 -0.002 0.000 0.769 360 D CB 0.423 41.221 40.800 -0.004 0.000 1.215 360 D HN 0.588 nan 8.370 nan 0.000 0.473 361 D N 0.065 120.484 120.400 0.031 0.000 2.620 361 D HA 0.074 4.718 4.640 0.006 0.000 0.260 361 D C 0.060 176.458 176.300 0.164 0.000 1.367 361 D CA -0.227 53.809 54.000 0.059 0.000 0.805 361 D CB 0.146 40.969 40.800 0.038 0.000 1.096 361 D HN 0.230 nan 8.370 nan 0.000 0.488 362 L N 1.882 123.179 121.223 0.123 0.000 2.260 362 L HA 0.362 4.706 4.340 0.006 0.000 0.289 362 L C -0.729 176.242 176.870 0.168 0.000 1.057 362 L CA -0.821 54.087 54.840 0.115 0.000 0.811 362 L CB 0.175 42.238 42.059 0.005 0.000 1.184 362 L HN 0.067 nan 8.230 nan 0.000 0.429 363 Y N 1.393 121.667 120.300 -0.044 0.000 2.588 363 Y HA 0.655 5.208 4.550 0.006 0.000 0.343 363 Y C -0.763 175.099 175.900 -0.063 0.000 1.065 363 Y CA -1.805 56.266 58.100 -0.048 0.000 1.038 363 Y CB 0.878 39.333 38.460 -0.009 0.000 1.297 363 Y HN 0.065 nan 8.280 nan 0.000 0.467 364 V N 3.435 123.207 119.914 -0.237 0.000 2.389 364 V HA 0.136 4.259 4.120 0.006 0.000 0.264 364 V C 1.095 177.082 176.094 -0.179 0.000 1.049 364 V CA 0.592 62.700 62.300 -0.320 0.000 0.932 364 V CB 0.294 31.886 31.823 -0.385 0.000 1.011 364 V HN 1.064 nan 8.190 nan 0.000 0.475 365 S N 3.361 118.864 115.700 -0.328 0.000 2.345 365 S HA -0.060 4.413 4.470 0.006 0.000 0.220 365 S C 0.474 175.127 174.600 0.088 0.000 1.031 365 S CA 1.097 59.232 58.200 -0.108 0.000 0.996 365 S CB 0.026 63.129 63.200 -0.162 0.000 0.882 365 S HN 0.789 nan 8.310 nan 0.000 0.445 366 D N -1.143 119.263 120.400 0.010 0.000 2.648 366 D HA 0.651 5.294 4.640 0.006 0.000 0.244 366 D C -1.839 174.334 176.300 -0.213 0.000 1.244 366 D CA 0.079 54.032 54.000 -0.079 0.000 0.772 366 D CB 1.730 42.353 40.800 -0.296 0.000 1.379 366 D HN 0.464 nan 8.370 nan 0.000 0.428 367 A N 1.611 124.281 122.820 -0.250 0.000 2.343 367 A HA 0.723 5.046 4.320 0.006 0.000 0.308 367 A C -1.498 175.876 177.584 -0.350 0.000 1.092 367 A CA -0.522 51.434 52.037 -0.135 0.000 0.751 367 A CB 0.417 19.607 19.000 0.317 0.000 1.203 367 A HN 0.325 nan 8.150 nan 0.000 0.452 368 F N 0.450 120.467 119.950 0.112 0.000 2.507 368 F HA 0.646 5.177 4.527 0.006 0.000 0.327 368 F C 0.280 176.090 175.800 0.017 0.000 1.068 368 F CA -0.209 57.822 58.000 0.052 0.000 0.965 368 F CB 2.088 41.093 39.000 0.009 0.000 1.192 368 F HN 0.750 nan 8.300 nan 0.000 0.476 369 H N 1.104 120.141 119.070 -0.056 0.000 2.806 369 H HA 0.591 5.151 4.556 0.006 0.000 0.367 369 H C -1.546 173.640 175.328 -0.236 0.000 1.136 369 H CA -0.974 54.935 56.048 -0.231 0.000 1.178 369 H CB 1.738 31.186 29.762 -0.524 0.000 1.718 369 H HN 0.527 nan 8.280 nan 0.000 0.540 370 K N 3.428 123.470 120.400 -0.597 0.000 2.565 370 K HA 0.771 5.094 4.320 0.006 0.000 0.249 370 K C -1.930 174.567 176.600 -0.173 0.000 0.958 370 K CA -0.333 55.827 56.287 -0.212 0.000 0.806 370 K CB 1.489 33.942 32.500 -0.078 0.000 1.194 370 K HN 0.641 nan 8.250 nan 0.000 0.434 371 A N 3.210 126.126 122.820 0.160 0.000 2.386 371 A HA 0.895 5.219 4.320 0.006 0.000 0.308 371 A C -1.736 176.201 177.584 0.588 0.000 1.128 371 A CA -0.666 51.606 52.037 0.393 0.000 0.789 371 A CB 0.863 20.138 19.000 0.460 0.000 1.325 371 A HN 0.682 nan 8.150 nan 0.000 0.437 372 F N 0.507 120.767 119.950 0.517 0.000 2.588 372 F HA 0.651 5.182 4.527 0.006 0.000 0.314 372 F C -1.895 173.999 175.800 0.157 0.000 1.134 372 F CA -0.850 57.328 58.000 0.296 0.000 0.961 372 F CB 1.779 40.870 39.000 0.152 0.000 1.239 372 F HN 0.605 nan 8.300 nan 0.000 0.448 373 L N 5.076 125.707 121.223 -0.987 0.000 2.401 373 L HA 0.678 5.022 4.340 0.006 0.000 0.266 373 L C -1.639 174.554 176.870 -1.129 0.000 0.991 373 L CA -0.291 53.941 54.840 -1.015 0.000 0.818 373 L CB 2.147 43.271 42.059 -1.558 0.000 1.321 373 L HN 0.745 nan 8.230 nan 0.000 0.413 374 E N 3.583 123.356 120.200 -0.712 0.000 2.334 374 E HA 0.541 4.895 4.350 0.006 0.000 0.280 374 E C -2.076 174.260 176.600 -0.440 0.000 0.899 374 E CA -0.589 55.450 56.400 -0.601 0.000 0.813 374 E CB 1.746 31.293 29.700 -0.255 0.000 1.318 374 E HN 0.466 nan 8.360 nan 0.000 0.399 375 V N 4.794 124.317 119.914 -0.651 0.000 2.398 375 V HA 0.485 4.608 4.120 0.006 0.000 0.286 375 V C -0.099 175.935 176.094 -0.100 0.000 1.026 375 V CA -0.654 61.484 62.300 -0.270 0.000 0.868 375 V CB 0.972 32.670 31.823 -0.209 0.000 0.982 375 V HN 0.783 nan 8.190 nan 0.000 0.443 376 N N 2.576 121.331 118.700 0.092 0.000 3.229 376 N HA 0.385 5.129 4.740 0.006 0.000 0.315 376 N C 0.355 176.053 175.510 0.312 0.000 1.520 376 N CA -0.941 52.177 53.050 0.114 0.000 0.769 376 N CB 0.868 39.392 38.487 0.062 0.000 1.766 376 N HN 0.237 nan 8.380 nan 0.000 0.618 377 E N -0.505 119.844 120.200 0.249 0.000 2.204 377 E HA -0.110 4.244 4.350 0.006 0.000 0.195 377 E C 0.682 177.631 176.600 0.582 0.000 0.990 377 E CA 1.360 58.014 56.400 0.423 0.000 0.821 377 E CB -0.073 29.797 29.700 0.283 0.000 0.750 377 E HN 0.598 nan 8.360 nan 0.000 0.477 378 E N -0.818 119.598 120.200 0.360 0.000 2.086 378 E HA 0.222 4.575 4.350 0.006 0.000 0.190 378 E C 0.914 177.560 176.600 0.075 0.000 0.975 378 E CA 0.936 57.486 56.400 0.249 0.000 0.813 378 E CB 0.381 30.147 29.700 0.111 0.000 0.768 378 E HN 0.230 nan 8.360 nan 0.000 0.457 379 G N -1.081 107.611 108.800 -0.180 0.000 2.441 379 G HA2 0.377 4.340 3.960 0.006 0.000 0.225 379 G HA3 0.377 4.340 3.960 0.006 0.000 0.225 379 G C -1.196 173.463 174.900 -0.402 0.000 1.200 379 G CA -0.196 44.361 45.100 -0.906 0.000 0.947 379 G HN 0.188 nan 8.290 nan 0.000 0.484 380 S N -1.110 114.442 115.700 -0.247 0.000 2.627 380 S HA 0.801 5.275 4.470 0.006 0.000 0.283 380 S C -1.240 173.302 174.600 -0.096 0.000 1.127 380 S CA -0.681 57.474 58.200 -0.075 0.000 0.863 380 S CB 2.835 66.078 63.200 0.072 0.000 1.121 380 S HN 0.768 nan 8.310 nan 0.000 0.479 381 E N 0.095 120.248 120.200 -0.078 0.000 2.255 381 E HA 0.599 4.953 4.350 0.006 0.000 0.256 381 E C -1.365 175.223 176.600 -0.021 0.000 0.887 381 E CA -0.685 55.659 56.400 -0.093 0.000 0.782 381 E CB 1.539 31.248 29.700 0.014 0.000 1.214 381 E HN 0.886 nan 8.360 nan 0.000 0.417 382 A N 2.761 125.493 122.820 -0.147 0.000 2.350 382 A HA 0.920 5.244 4.320 0.006 0.000 0.324 382 A C -1.098 176.439 177.584 -0.078 0.000 1.118 382 A CA -0.265 51.591 52.037 -0.302 0.000 0.783 382 A CB 1.676 19.889 19.000 -1.312 0.000 1.236 382 A HN 0.572 nan 8.150 nan 0.000 0.457 383 A N 0.525 123.542 122.820 0.327 0.000 2.549 383 A HA 0.967 5.291 4.320 0.006 0.000 0.297 383 A C -0.488 177.443 177.584 0.578 0.000 1.061 383 A CA 0.059 52.377 52.037 0.468 0.000 0.690 383 A CB 1.450 20.635 19.000 0.308 0.000 1.287 383 A HN 2.600 nan 8.150 nan 0.000 0.402 384 A N 0.191 123.264 122.820 0.422 0.000 2.606 384 A HA 0.925 5.248 4.320 0.006 0.000 0.293 384 A C -0.628 176.981 177.584 0.042 0.000 1.082 384 A CA 0.049 52.214 52.037 0.213 0.000 0.685 384 A CB 1.422 20.578 19.000 0.261 0.000 1.284 384 A HN 2.029 nan 8.150 nan 0.000 0.408 385 S N -0.548 115.056 115.700 -0.161 0.000 2.536 385 S HA 0.812 5.285 4.470 0.006 0.000 0.271 385 S C -1.105 173.390 174.600 -0.174 0.000 1.134 385 S CA -0.183 57.960 58.200 -0.096 0.000 0.897 385 S CB 1.723 64.903 63.200 -0.034 0.000 1.094 385 S HN 1.008 nan 8.310 nan 0.000 0.473 386 T N 2.904 117.470 114.554 0.020 0.000 2.841 386 T HA 0.740 5.093 4.350 0.006 0.000 0.285 386 T C -0.796 173.947 174.700 0.071 0.000 0.991 386 T CA -0.455 61.712 62.100 0.113 0.000 0.966 386 T CB 1.449 70.456 68.868 0.232 0.000 0.962 386 T HN 0.822 nan 8.240 nan 0.000 0.438 387 A N 3.139 126.013 122.820 0.090 0.000 2.291 387 A HA 0.718 5.041 4.320 0.006 0.000 0.311 387 A C -0.365 177.226 177.584 0.011 0.000 1.224 387 A CA -0.605 51.467 52.037 0.058 0.000 0.821 387 A CB 0.698 19.761 19.000 0.106 0.000 1.172 387 A HN 0.680 nan 8.150 nan 0.000 0.494 388 V N 3.394 123.230 119.914 -0.130 0.000 2.407 388 V HA 0.349 4.472 4.120 0.006 0.000 0.278 388 V C -0.141 175.854 176.094 -0.165 0.000 1.037 388 V CA -0.317 61.837 62.300 -0.243 0.000 0.900 388 V CB 1.440 32.959 31.823 -0.507 0.000 0.983 388 V HN 0.607 nan 8.190 nan 0.000 0.459 389 V N 6.884 126.714 119.914 -0.141 0.000 2.384 389 V HA 0.458 4.582 4.120 0.006 0.000 0.287 389 V C -0.069 175.888 176.094 -0.228 0.000 1.020 389 V CA -0.409 61.802 62.300 -0.148 0.000 0.850 389 V CB 1.747 33.538 31.823 -0.053 0.000 0.987 389 V HN 0.671 nan 8.190 nan 0.000 0.436 390 I N 4.555 124.973 120.570 -0.253 0.000 2.297 390 I HA 0.515 4.689 4.170 0.006 0.000 0.291 390 I C 0.834 176.731 176.117 -0.367 0.000 1.033 390 I CA -0.350 60.763 61.300 -0.310 0.000 1.253 390 I CB 1.104 38.981 38.000 -0.204 0.000 1.396 390 I HN 0.861 nan 8.210 nan 0.000 0.476 391 A N 4.430 126.874 122.820 -0.628 0.000 2.429 391 A HA -0.019 4.304 4.320 0.006 0.000 0.290 391 A C 0.461 177.899 177.584 -0.243 0.000 1.439 391 A CA 0.635 52.342 52.037 -0.551 0.000 0.731 391 A CB -1.837 17.034 19.000 -0.216 0.000 1.138 391 A HN 0.995 nan 8.150 nan 0.000 0.384 392 G N -0.543 108.136 108.800 -0.201 0.000 3.252 392 G HA2 1.011 4.974 3.960 0.006 0.000 0.181 392 G HA3 1.011 4.974 3.960 0.006 0.000 0.181 392 G C 0.001 174.903 174.900 0.003 0.000 1.187 392 G CA 0.488 45.529 45.100 -0.098 0.000 0.886 392 G HN 1.867 nan 8.290 nan 0.000 0.615 393 R N -0.687 119.838 120.500 0.042 0.000 2.459 393 R HA 0.682 5.025 4.340 0.006 0.000 0.281 393 R C 0.366 176.737 176.300 0.118 0.000 1.050 393 R CA 0.181 56.331 56.100 0.084 0.000 1.055 393 R CB 0.956 31.304 30.300 0.081 0.000 1.045 393 R HN 0.978 nan 8.270 nan 0.000 0.495 394 S N 1.020 116.792 115.700 0.120 0.000 2.460 394 S HA 0.476 4.949 4.470 0.006 0.000 0.211 394 S C 0.676 175.343 174.600 0.111 0.000 1.312 394 S CA 0.265 58.535 58.200 0.116 0.000 1.256 394 S CB -1.483 61.791 63.200 0.122 0.000 1.086 394 S HN 1.079 nan 8.310 nan 0.000 0.507 398 N N 0.165 118.962 118.700 0.162 0.000 3.357 398 N HA 0.507 5.250 4.740 0.006 0.000 0.359 398 N C -0.538 175.037 175.510 0.109 0.000 1.477 398 N CA -0.719 52.417 53.050 0.143 0.000 0.645 398 N CB 0.932 39.529 38.487 0.184 0.000 1.703 398 N HN 0.352 nan 8.380 nan 0.000 0.597 399 R N -0.234 120.327 120.500 0.101 0.000 2.649 399 R HA 0.629 4.972 4.340 0.006 0.000 0.270 399 R C 0.440 176.798 176.300 0.097 0.000 1.105 399 R CA -0.593 55.557 56.100 0.084 0.000 1.193 399 R CB -0.476 29.865 30.300 0.069 0.000 1.120 399 R HN 0.307 nan 8.270 nan 0.000 0.561 400 V N -0.041 119.918 119.914 0.075 0.000 3.369 400 V HA 0.572 4.696 4.120 0.006 0.000 0.309 400 V C 0.985 177.124 176.094 0.076 0.000 1.069 400 V CA 0.164 62.506 62.300 0.071 0.000 1.042 400 V CB 0.573 32.425 31.823 0.048 0.000 1.192 400 V HN 0.989 nan 8.190 nan 0.000 0.447 401 T N -1.040 113.553 114.554 0.065 0.000 2.973 401 T HA 0.728 5.081 4.350 0.006 0.000 0.308 401 T C -0.042 174.683 174.700 0.041 0.000 1.177 401 T CA 0.510 62.647 62.100 0.062 0.000 0.938 401 T CB 0.384 69.284 68.868 0.054 0.000 1.791 401 T HN 2.114 nan 8.240 nan 0.000 0.581 402 F N 1.629 121.596 119.950 0.029 0.000 2.566 402 F HA 0.620 5.150 4.527 0.006 0.000 0.347 402 F C 0.518 176.320 175.800 0.004 0.000 1.515 402 F CA -0.989 57.020 58.000 0.015 0.000 1.103 402 F CB -0.884 38.121 39.000 0.009 0.000 1.385 402 F HN 0.881 nan 8.300 nan 0.000 0.560 403 K N 1.814 122.222 120.400 0.013 0.000 2.604 403 K HA 0.416 4.740 4.320 0.006 0.000 0.277 403 K C 0.051 176.679 176.600 0.047 0.000 0.966 403 K CA 1.358 57.658 56.287 0.021 0.000 0.991 403 K CB 0.497 33.012 32.500 0.025 0.000 0.865 403 K HN 2.078 nan 8.250 nan 0.000 0.511 404 A N 1.112 123.984 122.820 0.087 0.000 4.056 404 A HA 0.344 4.668 4.320 0.006 0.000 0.277 404 A C -1.046 176.675 177.584 0.228 0.000 1.037 404 A CA -0.158 52.012 52.037 0.222 0.000 0.572 404 A CB -0.019 19.154 19.000 0.289 0.000 1.685 404 A HN 0.946 nan 8.150 nan 0.000 0.799 405 N N -1.259 117.669 118.700 0.380 0.000 3.384 405 N HA 0.296 5.039 4.740 0.006 0.000 0.352 405 N C -0.721 174.934 175.510 0.241 0.000 1.466 405 N CA -0.936 52.223 53.050 0.181 0.000 0.629 405 N CB 0.496 38.976 38.487 -0.012 0.000 1.810 405 N HN 0.448 nan 8.380 nan 0.000 0.575 406 R N 1.220 121.788 120.500 0.114 0.000 1.568 406 R HA -0.101 4.242 4.340 0.006 0.000 0.169 406 R C -2.171 174.272 176.300 0.238 0.000 0.451 406 R CA 0.258 56.441 56.100 0.140 0.000 0.345 406 R CB -1.893 28.461 30.300 0.090 0.000 1.666 406 R HN 0.459 nan 8.270 nan 0.000 0.572 407 P HA 0.367 nan 4.420 nan 0.000 0.279 407 P C -0.459 176.961 177.300 0.201 0.000 1.276 407 P CA -0.322 62.835 63.100 0.094 0.000 0.801 407 P CB 0.744 32.451 31.700 0.012 0.000 1.127 408 F N -2.510 117.446 119.950 0.010 0.000 2.688 408 F HA 0.477 5.009 4.527 0.009 0.000 0.308 408 F C -1.275 174.537 175.800 0.020 0.000 1.117 408 F CA -1.415 56.594 58.000 0.015 0.000 0.976 408 F CB 0.402 39.403 39.000 0.003 0.000 1.291 408 F HN 0.017 nan 8.300 nan 0.000 0.439 409 L N 2.643 123.985 121.223 0.198 0.000 2.464 409 L HA 0.734 5.078 4.340 0.006 0.000 0.264 409 L C -0.466 176.516 176.870 0.187 0.000 1.199 409 L CA -1.098 53.779 54.840 0.062 0.000 0.818 409 L CB 1.188 43.298 42.059 0.085 0.000 1.102 409 L HN 0.619 nan 8.230 nan 0.000 0.473 410 V N 1.644 121.546 119.914 -0.020 0.000 2.777 410 V HA 0.466 4.590 4.120 0.006 0.000 0.306 410 V C -1.068 175.039 176.094 0.022 0.000 1.112 410 V CA -0.528 61.884 62.300 0.187 0.000 0.917 410 V CB 1.999 33.974 31.823 0.253 0.000 1.018 410 V HN 0.418 nan 8.190 nan 0.000 0.426 411 F N 3.929 124.016 119.950 0.228 0.000 2.569 411 F HA 0.668 5.199 4.527 0.005 0.000 0.312 411 F C -0.169 175.770 175.800 0.232 0.000 1.109 411 F CA -0.720 57.400 58.000 0.199 0.000 0.919 411 F CB 1.982 41.061 39.000 0.132 0.000 1.211 411 F HN 0.209 nan 8.300 nan 0.000 0.446 412 I N 4.537 125.358 120.570 0.418 0.000 2.354 412 I HA 0.483 4.657 4.170 0.006 0.000 0.286 412 I C -0.481 175.759 176.117 0.204 0.000 1.007 412 I CA -0.596 60.874 61.300 0.283 0.000 1.167 412 I CB 1.180 39.269 38.000 0.148 0.000 1.320 412 I HN 0.671 nan 8.210 nan 0.000 0.458 413 R N 4.251 124.854 120.500 0.170 0.000 2.892 413 R HA 0.606 4.949 4.340 0.006 0.000 0.265 413 R C -0.784 175.556 176.300 0.067 0.000 1.025 413 R CA -0.929 55.232 56.100 0.102 0.000 0.982 413 R CB 1.959 32.314 30.300 0.092 0.000 1.185 413 R HN 0.245 nan 8.270 nan 0.000 0.484 414 E N 1.911 122.132 120.200 0.035 0.000 2.081 414 E HA 0.135 4.489 4.350 0.006 0.000 0.276 414 E C 0.570 177.196 176.600 0.043 0.000 0.950 414 E CA -0.410 56.010 56.400 0.033 0.000 0.776 414 E CB 1.837 31.532 29.700 -0.009 0.000 1.094 414 E HN 0.583 nan 8.360 nan 0.000 0.402 415 V N 6.584 126.540 119.914 0.070 0.000 2.255 415 V HA -0.103 4.021 4.120 0.006 0.000 0.243 415 V C -0.762 175.373 176.094 0.069 0.000 1.038 415 V CA 1.334 63.675 62.300 0.070 0.000 1.008 415 V CB -1.457 30.418 31.823 0.086 0.000 0.645 415 V HN 0.577 nan 8.190 nan 0.000 0.449 416 P HA -0.153 nan 4.420 nan 0.000 0.220 416 P C 1.551 178.900 177.300 0.081 0.000 1.144 416 P CA 1.554 64.698 63.100 0.073 0.000 0.800 416 P CB 0.021 31.758 31.700 0.061 0.000 0.772 417 L N -1.362 119.892 121.223 0.051 0.000 2.616 417 L HA 0.195 4.538 4.340 0.006 0.000 0.229 417 L C 0.995 177.859 176.870 -0.009 0.000 1.110 417 L CA 0.010 54.867 54.840 0.029 0.000 0.884 417 L CB -0.588 41.461 42.059 -0.017 0.000 1.115 417 L HN 0.021 nan 8.230 nan 0.000 0.481 418 N N 1.925 120.627 118.700 0.002 0.000 2.727 418 N HA -0.168 4.576 4.740 0.006 0.000 0.249 418 N C -0.341 175.106 175.510 -0.106 0.000 1.048 418 N CA 1.015 54.034 53.050 -0.051 0.000 0.714 418 N CB -0.475 37.955 38.487 -0.096 0.000 0.959 418 N HN 0.428 nan 8.380 nan 0.000 0.544 419 T N -1.280 113.233 114.554 -0.067 0.000 2.861 419 T HA 0.607 4.960 4.350 0.006 0.000 0.287 419 T C 0.411 175.100 174.700 -0.018 0.000 1.003 419 T CA -0.835 61.224 62.100 -0.068 0.000 0.977 419 T CB 1.581 70.394 68.868 -0.090 0.000 0.996 419 T HN 0.177 nan 8.240 nan 0.000 0.448 420 I N 4.445 125.021 120.570 0.009 0.000 2.363 420 I HA 0.201 4.375 4.170 0.006 0.000 0.292 420 I C 1.188 177.321 176.117 0.027 0.000 1.075 420 I CA -0.506 60.842 61.300 0.079 0.000 1.333 420 I CB 0.476 38.560 38.000 0.141 0.000 1.415 420 I HN 0.693 nan 8.210 nan 0.000 0.502 421 I N 5.527 126.104 120.570 0.011 0.000 2.400 421 I HA 0.030 4.203 4.170 0.006 0.000 0.248 421 I C 0.231 176.111 176.117 -0.394 0.000 1.109 421 I CA 1.065 62.267 61.300 -0.163 0.000 1.425 421 I CB 0.079 38.020 38.000 -0.097 0.000 1.094 421 I HN 0.328 nan 8.210 nan 0.000 0.425 422 F N 0.190 120.142 119.950 0.003 0.000 2.629 422 F HA 0.634 5.164 4.527 0.005 0.000 0.316 422 F C -0.176 175.602 175.800 -0.036 0.000 1.081 422 F CA -0.937 57.008 58.000 -0.092 0.000 0.954 422 F CB 1.909 40.868 39.000 -0.069 0.000 1.337 422 F HN -0.198 nan 8.300 nan 0.000 0.474 423 M N 0.631 120.256 119.600 0.040 0.000 2.790 423 M HA 0.907 5.390 4.480 0.006 0.000 0.272 423 M C -1.111 175.170 176.300 -0.032 0.000 1.168 423 M CA -0.438 54.797 55.300 -0.108 0.000 0.829 423 M CB 2.450 34.867 32.600 -0.305 0.000 1.675 423 M HN 0.911 nan 8.290 nan 0.000 0.505 424 G N 0.823 109.558 108.800 -0.108 0.000 2.315 424 G HA2 0.429 4.393 3.960 0.006 0.000 0.294 424 G HA3 0.429 4.393 3.960 0.006 0.000 0.294 424 G C -2.430 172.474 174.900 0.006 0.000 1.300 424 G CA -1.043 44.142 45.100 0.142 0.000 0.843 424 G HN 0.923 nan 8.290 nan 0.000 0.527 425 R N 0.598 121.146 120.500 0.079 0.000 2.358 425 R HA 0.553 4.896 4.340 0.006 0.000 0.309 425 R C -0.970 175.201 176.300 -0.215 0.000 1.026 425 R CA -0.416 55.648 56.100 -0.061 0.000 0.909 425 R CB 1.299 31.634 30.300 0.059 0.000 1.153 425 R HN 0.346 nan 8.270 nan 0.000 0.515 426 V N 4.772 124.354 119.914 -0.552 0.000 2.470 426 V HA 0.227 4.351 4.120 0.006 0.000 0.276 426 V C 0.807 176.515 176.094 -0.644 0.000 1.040 426 V CA 0.586 62.449 62.300 -0.728 0.000 1.008 426 V CB 1.000 32.061 31.823 -1.271 0.000 0.990 426 V HN 0.983 nan 8.190 nan 0.000 0.477 427 A N 4.632 127.236 122.820 -0.360 0.000 1.995 427 A HA 0.274 4.598 4.320 0.006 0.000 0.200 427 A C 0.987 178.442 177.584 -0.215 0.000 1.566 427 A CA 0.067 52.000 52.037 -0.173 0.000 0.895 427 A CB 0.166 19.127 19.000 -0.065 0.000 1.046 427 A HN 0.611 nan 8.150 nan 0.000 0.523 428 N N 0.846 119.383 118.700 -0.271 0.000 2.501 428 N HA 0.297 5.040 4.740 0.006 0.000 0.245 428 N C -2.248 173.002 175.510 -0.434 0.000 0.974 428 N CA -1.563 51.257 53.050 -0.383 0.000 0.941 428 N CB 2.043 40.422 38.487 -0.180 0.000 1.122 428 N HN 0.119 nan 8.380 nan 0.000 0.507 429 P HA 0.075 nan 4.420 nan 0.000 0.226 429 P C 0.287 177.465 177.300 -0.203 0.000 1.161 429 P CA -0.023 62.814 63.100 -0.437 0.000 0.804 429 P CB 0.164 31.551 31.700 -0.522 0.000 0.829 430 c N 1.443 119.875 118.600 -0.280 0.000 2.250 430 c HA -0.020 4.553 4.570 0.006 0.000 0.389 430 c C 1.522 175.580 174.090 -0.054 0.000 1.488 430 c CA -0.050 56.198 56.329 -0.134 0.000 1.514 430 c CB -1.111 41.331 42.510 -0.113 0.000 2.546 430 c HN 0.078 nan 8.230 nan 0.000 0.579 431 V N 0.000 119.902 119.914 -0.019 0.000 2.409 431 V HA 0.000 4.123 4.120 0.006 0.000 0.244 431 V CA 0.000 62.301 62.300 0.001 0.000 1.235 431 V CB 0.000 31.830 31.823 0.012 0.000 1.184 431 V HN 0.000 nan 8.190 nan 0.000 0.556