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 1r1l_1_L DATA FIRST_RESID 5 DATA SEQUENCE VDIcTAKPRD IPMNPMcIYX XXXXXXXXXX XXXXXXXEAT 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 LNPNRVTFKA 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 0.000 176.091 176.094 -0.005 0.000 1.182 5 V CA 0.000 62.296 62.300 -0.006 0.000 1.235 5 V CB 0.000 31.817 31.823 -0.010 0.000 1.184 6 D N 4.332 124.735 120.400 0.005 0.000 2.461 6 D HA 0.441 5.086 4.640 0.008 0.000 0.240 6 D C 1.082 177.392 176.300 0.017 0.000 1.094 6 D CA -0.411 53.593 54.000 0.006 0.000 0.868 6 D CB 1.495 42.301 40.800 0.010 0.000 1.062 6 D HN 0.502 nan 8.370 nan 0.000 0.530 7 I N 1.779 122.354 120.570 0.008 0.000 2.315 7 I HA -0.355 3.820 4.170 0.008 0.000 0.251 7 I C 2.370 178.484 176.117 -0.006 0.000 1.125 7 I CA 0.740 62.053 61.300 0.022 0.000 1.392 7 I CB -0.227 37.753 38.000 -0.034 0.000 1.065 7 I HN 0.470 nan 8.210 nan 0.000 0.424 8 c N 0.697 119.286 118.600 -0.019 0.000 2.401 8 c HA -0.191 4.384 4.570 0.008 0.000 0.276 8 c C 3.146 177.241 174.090 0.007 0.000 1.233 8 c CA 1.877 58.193 56.329 -0.022 0.000 1.753 8 c CB -1.409 41.102 42.510 0.002 0.000 2.029 8 c HN 0.665 nan 8.230 nan 0.000 0.478 9 T N -0.365 114.208 114.554 0.031 0.000 2.939 9 T HA 0.278 4.633 4.350 0.008 0.000 0.254 9 T C 1.064 175.813 174.700 0.082 0.000 1.041 9 T CA 0.769 62.898 62.100 0.048 0.000 1.142 9 T CB -0.472 68.419 68.868 0.037 0.000 0.874 9 T HN 0.547 nan 8.240 nan 0.000 0.452 10 A N 2.046 124.925 122.820 0.098 0.000 2.567 10 A HA 0.353 4.678 4.320 0.008 0.000 0.236 10 A C 0.355 178.083 177.584 0.240 0.000 1.088 10 A CA 0.113 52.232 52.037 0.136 0.000 0.776 10 A CB 0.020 19.100 19.000 0.134 0.000 1.033 10 A HN 0.597 nan 8.150 nan 0.000 0.513 11 K N 0.792 121.281 120.400 0.149 0.000 2.258 11 K HA 0.382 4.706 4.320 0.008 0.000 0.236 11 K C -2.057 174.397 176.600 -0.242 0.000 1.008 11 K CA -1.872 54.479 56.287 0.106 0.000 0.869 11 K CB 1.127 33.653 32.500 0.044 0.000 1.171 11 K HN 0.262 nan 8.250 nan 0.000 0.447 12 P HA -0.258 nan 4.420 nan 0.000 0.221 12 P C 0.694 177.689 177.300 -0.508 0.000 1.160 12 P CA 1.827 64.399 63.100 -0.879 0.000 0.933 12 P CB 0.165 31.600 31.700 -0.442 0.000 0.793 13 R N -1.101 119.241 120.500 -0.263 0.000 2.148 13 R HA -0.053 4.291 4.340 0.008 0.000 0.223 13 R C 1.699 177.922 176.300 -0.129 0.000 1.088 13 R CA 1.001 57.002 56.100 -0.167 0.000 0.985 13 R CB -0.659 29.581 30.300 -0.101 0.000 0.880 13 R HN 0.295 nan 8.270 nan 0.000 0.451 14 D N 0.495 120.827 120.400 -0.113 0.000 2.351 14 D HA -0.092 4.553 4.640 0.008 0.000 0.216 14 D C 0.254 176.519 176.300 -0.059 0.000 0.968 14 D CA 0.954 54.918 54.000 -0.060 0.000 0.899 14 D CB 0.232 41.019 40.800 -0.020 0.000 0.907 14 D HN 0.093 nan 8.370 nan 0.000 0.514 15 I N 2.612 123.121 120.570 -0.101 0.000 2.390 15 I HA 0.148 4.322 4.170 0.008 0.000 0.283 15 I C -2.188 173.870 176.117 -0.098 0.000 1.016 15 I CA -2.658 58.596 61.300 -0.077 0.000 1.151 15 I CB 1.311 39.288 38.000 -0.037 0.000 1.293 15 I HN -0.289 nan 8.210 nan 0.000 0.458 16 P HA 0.133 nan 4.420 nan 0.000 0.256 16 P C -0.263 177.000 177.300 -0.062 0.000 1.688 16 P CA -0.301 62.761 63.100 -0.065 0.000 1.162 16 P CB 0.255 31.926 31.700 -0.049 0.000 1.870 17 M N 2.928 122.486 119.600 -0.071 0.000 2.184 17 M HA 0.058 4.543 4.480 0.008 0.000 0.351 17 M C 0.765 177.041 176.300 -0.040 0.000 1.395 17 M CA 0.446 55.710 55.300 -0.060 0.000 1.117 17 M CB -0.177 32.388 32.600 -0.057 0.000 1.708 17 M HN 0.137 nan 8.290 nan 0.000 0.468 18 N N 3.598 122.279 118.700 -0.032 0.000 2.480 18 N HA 0.292 5.036 4.740 0.008 0.000 0.281 18 N C -2.486 173.024 175.510 0.000 0.000 1.381 18 N CA -1.271 51.771 53.050 -0.014 0.000 0.903 18 N CB 0.282 38.762 38.487 -0.012 0.000 1.274 18 N HN 0.294 nan 8.380 nan 0.000 0.505 19 P HA -0.067 nan 4.420 nan 0.000 0.263 19 P C 1.121 178.438 177.300 0.028 0.000 1.175 19 P CA 0.226 63.336 63.100 0.017 0.000 0.761 19 P CB 0.692 32.410 31.700 0.029 0.000 0.794 20 M N 2.340 121.958 119.600 0.030 0.000 2.126 20 M HA -0.150 4.335 4.480 0.008 0.000 0.259 20 M C 0.217 176.538 176.300 0.035 0.000 1.073 20 M CA 2.005 57.321 55.300 0.026 0.000 1.103 20 M CB -0.135 32.475 32.600 0.018 0.000 1.284 20 M HN 0.321 nan 8.290 nan 0.000 0.420 21 c N 0.153 118.780 118.600 0.046 0.000 2.325 21 c HA 0.698 5.273 4.570 0.008 0.000 0.370 21 c C 0.244 174.387 174.090 0.088 0.000 1.217 21 c CA -1.130 55.236 56.329 0.062 0.000 2.254 21 c CB 0.899 43.447 42.510 0.064 0.000 2.282 21 c HN 0.481 nan 8.230 nan 0.000 0.564 22 I N -0.468 120.166 120.570 0.108 0.000 3.102 22 I HA 0.508 4.683 4.170 0.008 0.000 0.310 22 I C -1.170 175.069 176.117 0.204 0.000 1.246 22 I CA -0.519 60.865 61.300 0.140 0.000 0.979 22 I CB 2.190 40.247 38.000 0.095 0.000 1.267 22 I HN 0.793 nan 8.210 nan 0.000 0.451 43 A N 0.515 123.350 122.820 0.026 0.000 1.997 43 A HA 0.139 4.464 4.320 0.008 0.000 0.198 43 A C 1.565 179.168 177.584 0.031 0.000 1.449 43 A CA 0.882 52.933 52.037 0.024 0.000 0.908 43 A CB -0.023 19.004 19.000 0.044 0.000 0.984 43 A HN 0.466 nan 8.150 nan 0.000 0.487 44 T N 1.314 115.928 114.554 0.101 0.000 2.915 44 T HA -0.091 4.263 4.350 0.008 0.000 0.269 44 T C 1.693 176.441 174.700 0.080 0.000 1.071 44 T CA 1.413 63.614 62.100 0.168 0.000 1.132 44 T CB -0.300 68.721 68.868 0.255 0.000 0.878 44 T HN 0.426 nan 8.240 nan 0.000 0.479 45 N N 1.646 120.378 118.700 0.053 0.000 2.216 45 N HA -0.059 4.685 4.740 0.008 0.000 0.183 45 N C 2.054 177.592 175.510 0.047 0.000 1.017 45 N CA 0.820 53.896 53.050 0.044 0.000 0.861 45 N CB -0.207 38.292 38.487 0.020 0.000 0.986 45 N HN 0.590 nan 8.380 nan 0.000 0.428 46 R N 0.747 121.254 120.500 0.011 0.000 2.193 46 R HA 0.109 4.454 4.340 0.008 0.000 0.213 46 R C 1.998 178.334 176.300 0.060 0.000 1.055 46 R CA 0.618 56.741 56.100 0.038 0.000 0.995 46 R CB -0.091 30.197 30.300 -0.020 0.000 0.893 46 R HN -0.028 nan 8.270 nan 0.000 0.459 47 R N 1.149 121.588 120.500 -0.100 0.000 2.057 47 R HA 0.023 4.367 4.340 0.008 0.000 0.229 47 R C 2.195 178.370 176.300 -0.208 0.000 1.136 47 R CA 1.416 57.305 56.100 -0.352 0.000 0.952 47 R CB -0.509 29.214 30.300 -0.961 0.000 0.848 47 R HN 0.063 nan 8.270 nan 0.000 0.430 48 V N -0.142 119.729 119.914 -0.072 0.000 2.278 48 V HA -0.301 3.824 4.120 0.008 0.000 0.251 48 V C 1.864 177.991 176.094 0.055 0.000 1.062 48 V CA 2.120 64.440 62.300 0.034 0.000 1.038 48 V CB -0.657 31.212 31.823 0.077 0.000 0.646 48 V HN 0.539 nan 8.190 nan 0.000 0.447 49 W N 1.194 122.450 121.300 -0.073 0.000 2.333 49 W HA -0.214 4.450 4.660 0.007 0.000 0.316 49 W C 2.496 178.982 176.519 -0.056 0.000 1.215 49 W CA 2.190 59.502 57.345 -0.055 0.000 1.278 49 W CB -0.328 29.103 29.460 -0.047 0.000 1.154 49 W HN 0.323 nan 8.180 nan 0.000 0.486 50 E N -0.194 120.024 120.200 0.029 0.000 2.160 50 E HA -0.275 4.080 4.350 0.008 0.000 0.195 50 E C 1.982 178.467 176.600 -0.191 0.000 0.991 50 E CA 1.497 57.806 56.400 -0.152 0.000 0.810 50 E CB -0.649 29.047 29.700 -0.005 0.000 0.742 50 E HN 0.322 nan 8.360 nan 0.000 0.466 51 L N 0.966 122.109 121.223 -0.134 0.000 2.072 51 L HA -0.130 4.215 4.340 0.008 0.000 0.205 51 L C 2.345 179.109 176.870 -0.176 0.000 1.079 51 L CA 2.060 56.832 54.840 -0.113 0.000 0.752 51 L CB -0.595 41.388 42.059 -0.126 0.000 0.906 51 L HN 0.081 nan 8.230 nan 0.000 0.436 52 S N -0.823 114.744 115.700 -0.222 0.000 2.383 52 S HA -0.250 4.225 4.470 0.008 0.000 0.229 52 S C 2.024 176.464 174.600 -0.267 0.000 1.030 52 S CA 1.419 59.485 58.200 -0.223 0.000 1.002 52 S CB -0.588 62.486 63.200 -0.210 0.000 0.829 52 S HN 0.574 nan 8.310 nan 0.000 0.467 53 K N 1.480 121.628 120.400 -0.420 0.000 2.057 53 K HA 0.134 4.458 4.320 0.008 0.000 0.206 53 K C 2.618 179.098 176.600 -0.199 0.000 1.050 53 K CA 1.103 57.152 56.287 -0.397 0.000 0.935 53 K CB -0.567 31.582 32.500 -0.584 0.000 0.715 53 K HN 0.494 nan 8.250 nan 0.000 0.439 54 A N 2.118 124.853 122.820 -0.143 0.000 1.908 54 A HA -0.213 4.112 4.320 0.008 0.000 0.218 54 A C 1.798 179.377 177.584 -0.008 0.000 1.181 54 A CA 1.754 53.762 52.037 -0.047 0.000 0.627 54 A CB -0.534 18.488 19.000 0.037 0.000 0.818 54 A HN 0.235 nan 8.150 nan 0.000 0.445 55 N N 0.301 118.997 118.700 -0.006 0.000 2.120 55 N HA -0.097 4.647 4.740 0.008 0.000 0.188 55 N C 1.988 177.556 175.510 0.096 0.000 1.024 55 N CA 1.567 54.661 53.050 0.074 0.000 0.852 55 N CB -0.583 37.921 38.487 0.029 0.000 1.003 55 N HN 0.432 nan 8.380 nan 0.000 0.424 56 S N 1.116 116.821 115.700 0.008 0.000 2.359 56 S HA -0.055 4.419 4.470 0.008 0.000 0.224 56 S C 1.901 176.511 174.600 0.017 0.000 1.035 56 S CA 0.838 59.042 58.200 0.007 0.000 1.018 56 S CB 0.019 63.183 63.200 -0.059 0.000 0.876 56 S HN 0.308 nan 8.310 nan 0.000 0.448 57 R N 0.444 120.941 120.500 -0.006 0.000 2.094 57 R HA -0.120 4.225 4.340 0.008 0.000 0.239 57 R C 2.026 178.340 176.300 0.023 0.000 1.137 57 R CA 1.511 57.608 56.100 -0.005 0.000 0.943 57 R CB -1.241 29.049 30.300 -0.018 0.000 0.850 57 R HN 0.505 nan 8.270 nan 0.000 0.433 58 F N 1.682 121.585 119.950 -0.079 0.000 2.161 58 F HA -0.198 4.334 4.527 0.008 0.000 0.300 58 F C 2.297 178.100 175.800 0.006 0.000 1.089 58 F CA 1.140 59.075 58.000 -0.108 0.000 1.282 58 F CB -0.442 38.446 39.000 -0.188 0.000 1.010 58 F HN 0.062 nan 8.300 nan 0.000 0.485 59 A N 0.240 123.033 122.820 -0.045 0.000 1.849 59 A HA -0.284 4.041 4.320 0.008 0.000 0.217 59 A C 2.332 179.910 177.584 -0.010 0.000 1.202 59 A CA 3.219 55.236 52.037 -0.033 0.000 0.629 59 A CB -1.737 17.316 19.000 0.087 0.000 0.834 59 A HN 0.535 nan 8.150 nan 0.000 0.447 60 T N -3.148 111.422 114.554 0.025 0.000 2.833 60 T HA -0.128 4.226 4.350 0.008 0.000 0.269 60 T C 1.766 176.492 174.700 0.043 0.000 1.054 60 T CA 2.126 64.266 62.100 0.066 0.000 1.135 60 T CB -1.040 67.855 68.868 0.045 0.000 0.869 60 T HN 0.379 nan 8.240 nan 0.000 0.466 61 T N 1.359 115.891 114.554 -0.036 0.000 2.701 61 T HA 0.056 4.411 4.350 0.008 0.000 0.263 61 T C 1.357 176.053 174.700 -0.006 0.000 1.040 61 T CA 1.185 63.269 62.100 -0.026 0.000 1.147 61 T CB -0.662 68.183 68.868 -0.040 0.000 0.865 61 T HN 0.394 nan 8.240 nan 0.000 0.426 62 F N 1.007 120.722 119.950 -0.391 0.000 2.126 62 F HA -0.150 4.382 4.527 0.008 0.000 0.299 62 F C 2.172 177.868 175.800 -0.173 0.000 1.096 62 F CA 0.961 58.702 58.000 -0.431 0.000 1.255 62 F CB -0.566 37.872 39.000 -0.937 0.000 0.997 62 F HN 0.177 nan 8.300 nan 0.000 0.479 63 Y N 1.254 121.451 120.300 -0.171 0.000 2.207 63 Y HA -0.286 4.269 4.550 0.008 0.000 0.287 63 Y C 2.413 178.175 175.900 -0.230 0.000 1.156 63 Y CA 2.253 60.244 58.100 -0.182 0.000 1.182 63 Y CB -0.629 37.790 38.460 -0.069 0.000 0.979 63 Y HN 0.254 nan 8.280 nan 0.000 0.521 64 Q N -1.236 118.461 119.800 -0.173 0.000 2.046 64 Q HA -0.214 4.130 4.340 0.008 0.000 0.200 64 Q C 2.117 177.873 176.000 -0.406 0.000 0.975 64 Q CA 1.537 57.177 55.803 -0.271 0.000 0.836 64 Q CB -0.402 28.222 28.738 -0.190 0.000 0.896 64 Q HN 0.639 nan 8.270 nan 0.000 0.428 65 H N 0.251 119.086 119.070 -0.391 0.000 2.353 65 H HA -0.123 4.438 4.556 0.008 0.000 0.300 65 H C 2.229 177.249 175.328 -0.513 0.000 1.090 65 H CA 1.247 57.051 56.048 -0.405 0.000 1.327 65 H CB -0.046 29.466 29.762 -0.416 0.000 1.383 65 H HN 0.147 nan 8.280 nan 0.000 0.508 66 L N 1.036 121.893 121.223 -0.611 0.000 2.083 66 L HA -0.090 4.255 4.340 0.008 0.000 0.209 66 L C 2.588 179.121 176.870 -0.562 0.000 1.083 66 L CA 1.628 56.056 54.840 -0.687 0.000 0.752 66 L CB -0.704 40.828 42.059 -0.879 0.000 0.899 66 L HN 0.164 nan 8.230 nan 0.000 0.433 67 A N -1.000 121.442 122.820 -0.630 0.000 1.902 67 A HA -0.207 4.118 4.320 0.008 0.000 0.217 67 A C 1.953 179.346 177.584 -0.319 0.000 1.181 67 A CA 1.780 53.504 52.037 -0.522 0.000 0.623 67 A CB -0.735 17.919 19.000 -0.576 0.000 0.818 67 A HN 0.526 nan 8.150 nan 0.000 0.443 68 D N 0.159 120.385 120.400 -0.290 0.000 2.309 68 D HA -0.101 4.544 4.640 0.008 0.000 0.212 68 D C 2.082 178.279 176.300 -0.171 0.000 0.968 68 D CA 1.523 55.401 54.000 -0.204 0.000 0.882 68 D CB -0.156 40.526 40.800 -0.197 0.000 0.918 68 D HN 0.623 nan 8.370 nan 0.000 0.503 69 S N -0.891 114.688 115.700 -0.201 0.000 2.548 69 S HA 0.078 4.553 4.470 0.008 0.000 0.215 69 S C 0.853 175.368 174.600 -0.142 0.000 0.976 69 S CA -0.098 58.007 58.200 -0.160 0.000 0.908 69 S CB 0.621 63.715 63.200 -0.177 0.000 0.781 69 S HN 0.003 nan 8.310 nan 0.000 0.519 70 K N 1.581 121.883 120.400 -0.164 0.000 2.258 70 K HA 0.333 4.658 4.320 0.008 0.000 0.236 70 K C -0.843 175.701 176.600 -0.092 0.000 1.008 70 K CA -0.873 55.339 56.287 -0.124 0.000 0.869 70 K CB 0.702 33.112 32.500 -0.149 0.000 1.171 70 K HN 0.097 nan 8.250 nan 0.000 0.447 71 N N 1.560 120.225 118.700 -0.058 0.000 2.458 71 N HA -0.021 4.724 4.740 0.008 0.000 0.270 71 N C -0.392 175.099 175.510 -0.032 0.000 1.102 71 N CA 0.255 53.282 53.050 -0.039 0.000 0.967 71 N CB 0.980 39.455 38.487 -0.020 0.000 1.078 71 N HN 0.441 nan 8.380 nan 0.000 0.471 72 D N 1.942 122.324 120.400 -0.030 0.000 2.362 72 D HA -0.143 4.501 4.640 0.008 0.000 0.215 72 D C 0.351 176.655 176.300 0.008 0.000 0.978 72 D CA 1.111 55.101 54.000 -0.016 0.000 0.921 72 D CB 0.181 40.976 40.800 -0.009 0.000 0.895 72 D HN 0.511 nan 8.370 nan 0.000 0.494 73 N N 0.230 118.939 118.700 0.014 0.000 2.203 73 N HA 0.025 4.769 4.740 0.008 0.000 0.207 73 N C -0.438 175.098 175.510 0.042 0.000 1.130 73 N CA 0.052 53.125 53.050 0.038 0.000 0.861 73 N CB 0.701 39.218 38.487 0.050 0.000 1.005 73 N HN 0.162 nan 8.380 nan 0.000 0.507 74 D N 0.522 120.937 120.400 0.025 0.000 2.340 74 D HA 0.201 4.846 4.640 0.008 0.000 0.251 74 D C 0.182 176.494 176.300 0.021 0.000 1.080 74 D CA -0.156 53.865 54.000 0.035 0.000 0.971 74 D CB 1.032 41.849 40.800 0.029 0.000 1.137 74 D HN -0.074 nan 8.370 nan 0.000 0.475 75 N N 0.367 119.087 118.700 0.033 0.000 2.467 75 N HA 0.394 5.139 4.740 0.008 0.000 0.262 75 N C -0.312 175.244 175.510 0.078 0.000 1.234 75 N CA 0.068 53.137 53.050 0.031 0.000 0.952 75 N CB 1.159 39.663 38.487 0.030 0.000 1.158 75 N HN 0.314 nan 8.380 nan 0.000 0.463 76 I N 1.358 122.010 120.570 0.137 0.000 2.611 76 I HA 0.266 4.440 4.170 0.008 0.000 0.287 76 I C -1.524 174.827 176.117 0.390 0.000 1.184 76 I CA -0.537 60.885 61.300 0.203 0.000 1.054 76 I CB 1.418 39.498 38.000 0.132 0.000 1.257 76 I HN 0.255 nan 8.210 nan 0.000 0.435 77 F N 8.754 128.861 119.950 0.262 0.000 2.561 77 F HA 0.801 5.332 4.527 0.007 0.000 0.313 77 F C -1.621 174.477 175.800 0.495 0.000 1.126 77 F CA -0.769 57.417 58.000 0.309 0.000 0.918 77 F CB 1.767 40.903 39.000 0.227 0.000 1.199 77 F HN 0.227 nan 8.300 nan 0.000 0.444 78 L N 2.408 123.571 121.223 -0.100 0.000 2.794 78 L HA 0.524 4.869 4.340 0.008 0.000 0.261 78 L C -1.584 175.311 176.870 0.043 0.000 0.989 78 L CA -0.685 54.296 54.840 0.236 0.000 0.900 78 L CB 0.907 43.265 42.059 0.498 0.000 1.473 78 L HN 0.530 nan 8.230 nan 0.000 0.414 79 S N 1.392 117.220 115.700 0.213 0.000 2.461 79 S HA 0.661 5.136 4.470 0.008 0.000 0.322 79 S C -1.939 172.633 174.600 -0.046 0.000 1.063 79 S CA -1.106 57.038 58.200 -0.093 0.000 1.120 79 S CB 1.059 64.085 63.200 -0.289 0.000 0.968 79 S HN 0.638 nan 8.310 nan 0.000 0.467 80 P HA -0.056 nan 4.420 nan 0.000 0.217 80 P C 1.538 178.939 177.300 0.169 0.000 1.150 80 P CA 0.277 63.435 63.100 0.097 0.000 0.832 80 P CB 0.123 31.904 31.700 0.136 0.000 0.787 81 L N -0.325 120.963 121.223 0.107 0.000 2.042 81 L HA -0.172 4.173 4.340 0.008 0.000 0.210 81 L C 2.460 179.451 176.870 0.201 0.000 1.076 81 L CA 2.056 57.003 54.840 0.178 0.000 0.749 81 L CB -1.588 40.536 42.059 0.108 0.000 0.893 81 L HN -0.061 nan 8.230 nan 0.000 0.432 82 S N -0.619 115.156 115.700 0.126 0.000 2.353 82 S HA -0.205 4.270 4.470 0.008 0.000 0.222 82 S C 2.061 176.754 174.600 0.155 0.000 1.035 82 S CA 1.854 60.144 58.200 0.150 0.000 1.025 82 S CB -0.469 62.875 63.200 0.240 0.000 0.902 82 S HN 0.483 nan 8.310 nan 0.000 0.440 83 I N 1.029 121.695 120.570 0.159 0.000 2.226 83 I HA -0.132 4.043 4.170 0.008 0.000 0.245 83 I C 2.659 178.937 176.117 0.268 0.000 1.100 83 I CA 1.239 62.669 61.300 0.217 0.000 1.374 83 I CB -0.518 37.552 38.000 0.116 0.000 1.057 83 I HN 0.277 nan 8.210 nan 0.000 0.413 84 S N 0.041 115.893 115.700 0.253 0.000 2.399 84 S HA -0.144 4.331 4.470 0.008 0.000 0.231 84 S C 2.050 176.778 174.600 0.212 0.000 1.022 84 S CA 1.792 60.143 58.200 0.252 0.000 0.983 84 S CB -0.256 63.211 63.200 0.446 0.000 0.803 84 S HN 0.484 nan 8.310 nan 0.000 0.480 85 T N 2.030 116.636 114.554 0.087 0.000 2.812 85 T HA 0.062 4.417 4.350 0.008 0.000 0.264 85 T C 2.160 176.608 174.700 -0.422 0.000 1.042 85 T CA 1.077 62.982 62.100 -0.325 0.000 1.140 85 T CB -0.420 68.310 68.868 -0.231 0.000 0.870 85 T HN 0.433 nan 8.240 nan 0.000 0.445 86 A N 0.764 123.428 122.820 -0.260 0.000 1.933 86 A HA 0.031 4.356 4.320 0.008 0.000 0.218 86 A C 1.873 179.135 177.584 -0.537 0.000 1.175 86 A CA 1.230 53.042 52.037 -0.375 0.000 0.628 86 A CB -0.916 17.898 19.000 -0.310 0.000 0.814 86 A HN 0.494 nan 8.150 nan 0.000 0.444 87 F N -0.407 119.312 119.950 -0.386 0.000 2.615 87 F HA 0.137 4.669 4.527 0.008 0.000 0.297 87 F C 2.548 178.114 175.800 -0.390 0.000 1.124 87 F CA 0.570 58.267 58.000 -0.505 0.000 1.451 87 F CB -0.041 38.324 39.000 -1.059 0.000 1.103 87 F HN 0.264 nan 8.300 nan 0.000 0.569 88 A N -0.020 122.672 122.820 -0.213 0.000 1.872 88 A HA -0.144 4.180 4.320 0.008 0.000 0.214 88 A C 2.201 179.687 177.584 -0.163 0.000 1.187 88 A CA 1.237 53.202 52.037 -0.121 0.000 0.614 88 A CB -0.645 18.200 19.000 -0.258 0.000 0.826 88 A HN 0.269 nan 8.150 nan 0.000 0.442 89 M N -0.480 118.781 119.600 -0.565 0.000 2.082 89 M HA -0.174 4.311 4.480 0.008 0.000 0.258 89 M C 2.234 178.438 176.300 -0.159 0.000 1.069 89 M CA 2.201 57.190 55.300 -0.518 0.000 1.102 89 M CB -0.712 31.523 32.600 -0.607 0.000 1.336 89 M HN 0.442 nan 8.290 nan 0.000 0.404 90 T N -0.131 114.302 114.554 -0.202 0.000 2.788 90 T HA -0.174 4.180 4.350 0.008 0.000 0.268 90 T C 1.703 176.383 174.700 -0.032 0.000 1.044 90 T CA 1.209 63.228 62.100 -0.135 0.000 1.139 90 T CB -0.242 68.469 68.868 -0.262 0.000 0.867 90 T HN 0.362 nan 8.240 nan 0.000 0.454 91 K N 0.803 121.219 120.400 0.027 0.000 2.360 91 K HA 0.028 4.353 4.320 0.008 0.000 0.201 91 K C 1.958 178.638 176.600 0.133 0.000 1.046 91 K CA 0.638 56.993 56.287 0.114 0.000 0.945 91 K CB -0.289 32.334 32.500 0.205 0.000 0.750 91 K HN 0.349 nan 8.250 nan 0.000 0.464 92 L N -0.561 120.725 121.223 0.105 0.000 2.353 92 L HA -0.115 4.230 4.340 0.008 0.000 0.220 92 L C 1.803 178.722 176.870 0.081 0.000 1.133 92 L CA 1.191 56.058 54.840 0.045 0.000 0.798 92 L CB -0.099 42.018 42.059 0.098 0.000 0.922 92 L HN 0.323 nan 8.230 nan 0.000 0.445 93 G N -1.294 107.499 108.800 -0.011 0.000 3.596 93 G HA2 0.446 4.411 3.960 0.008 0.000 0.274 93 G HA3 0.446 4.411 3.960 0.008 0.000 0.274 93 G C 0.347 175.196 174.900 -0.085 0.000 1.007 93 G CA 0.329 45.343 45.100 -0.145 0.000 0.825 93 G HN 0.250 nan 8.290 nan 0.000 0.508 94 A N -0.523 122.285 122.820 -0.019 0.000 2.304 94 A HA 0.706 5.031 4.320 0.008 0.000 0.271 94 A C -0.335 177.261 177.584 0.020 0.000 1.091 94 A CA -0.348 51.689 52.037 -0.001 0.000 0.812 94 A CB 0.978 19.994 19.000 0.026 0.000 1.056 94 A HN 0.655 nan 8.150 nan 0.000 0.489 95 c N 0.739 119.350 118.600 0.018 0.000 3.285 95 c HA 0.623 5.197 4.570 0.008 0.000 0.325 95 c C 0.416 174.526 174.090 0.033 0.000 1.304 95 c CA 0.036 56.385 56.329 0.033 0.000 1.319 95 c CB -0.125 42.398 42.510 0.022 0.000 1.640 95 c HN 1.263 nan 8.230 nan 0.000 0.477 96 N N 1.382 120.113 118.700 0.051 0.000 1.217 96 N HA -0.217 4.528 4.740 0.008 0.000 0.134 96 N C -0.196 175.335 175.510 0.035 0.000 0.831 96 N CA 1.291 54.371 53.050 0.051 0.000 0.924 96 N CB -0.971 37.539 38.487 0.037 0.000 1.146 96 N HN 0.838 nan 8.380 nan 0.000 0.558 97 D N 0.444 120.858 120.400 0.024 0.000 2.117 97 D HA -0.049 4.596 4.640 0.008 0.000 0.198 97 D C 1.771 178.062 176.300 -0.016 0.000 0.982 97 D CA 1.956 55.957 54.000 0.002 0.000 0.828 97 D CB -0.738 40.071 40.800 0.016 0.000 0.967 97 D HN 0.435 nan 8.370 nan 0.000 0.464 98 T N 1.901 116.457 114.554 0.002 0.000 2.624 98 T HA -0.206 4.149 4.350 0.008 0.000 0.268 98 T C 1.924 176.622 174.700 -0.004 0.000 1.041 98 T CA 1.035 63.136 62.100 0.002 0.000 1.159 98 T CB -0.442 68.428 68.868 0.003 0.000 0.863 98 T HN 0.057 nan 8.240 nan 0.000 0.434 99 L N 1.076 122.297 121.223 -0.002 0.000 2.017 99 L HA -0.059 4.286 4.340 0.008 0.000 0.208 99 L C 2.551 179.370 176.870 -0.085 0.000 1.073 99 L CA 1.923 56.766 54.840 0.005 0.000 0.745 99 L CB -1.081 41.006 42.059 0.046 0.000 0.894 99 L HN 0.292 nan 8.230 nan 0.000 0.432 100 Q N -0.829 118.841 119.800 -0.216 0.000 2.002 100 Q HA -0.286 4.059 4.340 0.008 0.000 0.204 100 Q C 2.258 178.077 176.000 -0.302 0.000 0.988 100 Q CA 2.301 57.770 55.803 -0.556 0.000 0.843 100 Q CB -0.261 28.150 28.738 -0.546 0.000 0.908 100 Q HN 0.680 nan 8.270 nan 0.000 0.420 101 Q N 0.053 119.770 119.800 -0.138 0.000 2.152 101 Q HA -0.196 4.149 4.340 0.008 0.000 0.206 101 Q C 2.232 178.232 176.000 -0.000 0.000 0.985 101 Q CA 1.543 57.315 55.803 -0.053 0.000 0.863 101 Q CB -0.145 28.590 28.738 -0.004 0.000 0.904 101 Q HN 0.452 nan 8.270 nan 0.000 0.422 102 L N -0.361 120.881 121.223 0.032 0.000 2.056 102 L HA -0.195 4.149 4.340 0.008 0.000 0.207 102 L C 2.461 179.423 176.870 0.154 0.000 1.078 102 L CA 0.691 55.611 54.840 0.134 0.000 0.749 102 L CB -0.336 41.795 42.059 0.120 0.000 0.901 102 L HN 0.364 nan 8.230 nan 0.000 0.433 103 M N -0.458 119.194 119.600 0.087 0.000 2.117 103 M HA -0.203 4.281 4.480 0.008 0.000 0.262 103 M C 2.117 178.444 176.300 0.046 0.000 1.065 103 M CA 1.847 57.232 55.300 0.143 0.000 1.114 103 M CB -0.855 31.773 32.600 0.046 0.000 1.361 103 M HN 0.311 nan 8.290 nan 0.000 0.408 104 E N -0.344 119.846 120.200 -0.018 0.000 2.051 104 E HA -0.092 4.263 4.350 0.008 0.000 0.189 104 E C 2.107 178.666 176.600 -0.068 0.000 0.979 104 E CA 0.969 57.354 56.400 -0.024 0.000 0.803 104 E CB -0.174 29.510 29.700 -0.026 0.000 0.761 104 E HN 0.221 nan 8.360 nan 0.000 0.451 105 V N 0.773 120.637 119.914 -0.083 0.000 2.392 105 V HA -0.224 3.900 4.120 0.008 0.000 0.249 105 V C 1.503 177.331 176.094 -0.443 0.000 1.059 105 V CA 1.618 63.791 62.300 -0.211 0.000 1.051 105 V CB -0.423 31.259 31.823 -0.235 0.000 0.658 105 V HN 0.199 nan 8.190 nan 0.000 0.455 106 F N -0.329 119.340 119.950 -0.468 0.000 2.660 106 F HA 0.313 4.844 4.527 0.008 0.000 0.302 106 F C 1.212 176.573 175.800 -0.731 0.000 1.103 106 F CA -0.477 57.026 58.000 -0.828 0.000 1.340 106 F CB 0.029 38.190 39.000 -1.400 0.000 1.048 106 F HN -0.040 nan 8.300 nan 0.000 0.551 107 K N -1.196 119.039 120.400 -0.274 0.000 3.193 107 K HA -0.251 4.074 4.320 0.008 0.000 0.294 107 K C 0.713 177.301 176.600 -0.019 0.000 1.185 107 K CA 0.590 56.808 56.287 -0.114 0.000 0.866 107 K CB -2.741 29.723 32.500 -0.060 0.000 1.227 107 K HN 0.288 nan 8.250 nan 0.000 0.467 108 F N 1.664 121.666 119.950 0.086 0.000 2.333 108 F HA -0.113 4.418 4.527 0.008 0.000 0.300 108 F C 2.079 177.930 175.800 0.084 0.000 1.083 108 F CA 1.468 59.508 58.000 0.067 0.000 1.395 108 F CB -0.477 38.565 39.000 0.069 0.000 1.056 108 F HN 0.201 nan 8.300 nan 0.000 0.529 109 D N -0.506 120.043 120.400 0.250 0.000 2.378 109 D HA -0.108 4.537 4.640 0.008 0.000 0.227 109 D C 1.474 177.867 176.300 0.156 0.000 1.012 109 D CA 1.247 55.381 54.000 0.224 0.000 0.905 109 D CB -1.121 39.809 40.800 0.217 0.000 0.895 109 D HN 0.384 nan 8.370 nan 0.000 0.532 110 T N -2.528 112.098 114.554 0.120 0.000 3.054 110 T HA 0.241 4.596 4.350 0.008 0.000 0.255 110 T C 0.989 175.728 174.700 0.064 0.000 1.035 110 T CA -0.543 61.601 62.100 0.073 0.000 0.941 110 T CB -0.284 68.603 68.868 0.033 0.000 1.026 110 T HN 0.075 nan 8.240 nan 0.000 0.533 111 I N 3.897 124.522 120.570 0.091 0.000 2.396 111 I HA 0.161 4.335 4.170 0.008 0.000 0.289 111 I C 0.607 176.757 176.117 0.055 0.000 1.056 111 I CA -0.631 60.704 61.300 0.058 0.000 1.365 111 I CB 0.952 39.001 38.000 0.081 0.000 1.407 111 I HN 0.295 nan 8.210 nan 0.000 0.509 112 S N 5.776 121.489 115.700 0.022 0.000 2.858 112 S HA 0.099 4.574 4.470 0.008 0.000 0.328 112 S C 0.031 174.651 174.600 0.033 0.000 1.149 112 S CA -0.148 58.068 58.200 0.025 0.000 1.421 112 S CB 0.005 63.212 63.200 0.012 0.000 1.461 112 S HN 0.606 nan 8.310 nan 0.000 0.587 113 E N 1.984 122.228 120.200 0.072 0.000 2.249 113 E HA 0.520 4.875 4.350 0.008 0.000 0.170 113 E C 0.196 176.847 176.600 0.084 0.000 0.969 113 E CA -0.676 55.789 56.400 0.108 0.000 0.844 113 E CB 0.832 30.641 29.700 0.182 0.000 2.113 113 E HN 0.501 nan 8.360 nan 0.000 0.438 114 K N -0.712 119.743 120.400 0.091 0.000 2.929 114 K HA 0.106 4.430 4.320 0.008 0.000 0.188 114 K C -0.285 176.345 176.600 0.051 0.000 1.654 114 K CA 0.469 56.785 56.287 0.048 0.000 1.349 114 K CB 0.906 33.427 32.500 0.034 0.000 1.879 114 K HN 0.500 nan 8.250 nan 0.000 0.626 115 T N -0.015 114.593 114.554 0.089 0.000 2.795 115 T HA 0.162 4.516 4.350 0.008 0.000 0.282 115 T C 1.050 175.845 174.700 0.159 0.000 0.980 115 T CA -0.272 61.890 62.100 0.103 0.000 1.012 115 T CB 1.711 70.629 68.868 0.083 0.000 0.936 115 T HN 0.112 nan 8.240 nan 0.000 0.457 116 S N 2.024 117.846 115.700 0.203 0.000 2.440 116 S HA -0.249 4.225 4.470 0.008 0.000 0.240 116 S C 1.356 176.083 174.600 0.212 0.000 1.014 116 S CA 1.525 59.869 58.200 0.240 0.000 0.980 116 S CB -0.860 62.516 63.200 0.293 0.000 0.775 116 S HN 0.945 nan 8.310 nan 0.000 0.499 117 D N 0.197 120.722 120.400 0.209 0.000 2.277 117 D HA -0.080 4.565 4.640 0.008 0.000 0.208 117 D C 2.000 178.428 176.300 0.214 0.000 0.962 117 D CA 0.454 54.611 54.000 0.262 0.000 0.865 117 D CB -0.311 40.572 40.800 0.139 0.000 0.939 117 D HN 0.226 nan 8.370 nan 0.000 0.510 118 Q N 0.090 119.971 119.800 0.135 0.000 2.172 118 Q HA -0.045 4.300 4.340 0.008 0.000 0.200 118 Q C 2.167 178.192 176.000 0.041 0.000 0.964 118 Q CA 0.244 56.090 55.803 0.073 0.000 0.855 118 Q CB -0.324 28.530 28.738 0.193 0.000 0.918 118 Q HN 0.448 nan 8.270 nan 0.000 0.444 119 I N 1.254 121.884 120.570 0.101 0.000 2.194 119 I HA -0.329 3.846 4.170 0.008 0.000 0.246 119 I C 1.846 177.907 176.117 -0.094 0.000 1.093 119 I CA 1.776 63.095 61.300 0.032 0.000 1.355 119 I CB -0.516 37.337 38.000 -0.246 0.000 1.046 119 I HN 0.294 nan 8.210 nan 0.000 0.413 120 H N -0.615 118.448 119.070 -0.011 0.000 2.387 120 H HA -0.239 4.322 4.556 0.008 0.000 0.299 120 H C 2.090 177.347 175.328 -0.118 0.000 1.099 120 H CA 1.907 57.938 56.048 -0.028 0.000 1.315 120 H CB -0.784 28.949 29.762 -0.049 0.000 1.380 120 H HN 0.402 nan 8.280 nan 0.000 0.513 121 F N 1.361 121.142 119.950 -0.281 0.000 2.171 121 F HA -0.193 4.339 4.527 0.008 0.000 0.300 121 F C 1.816 177.383 175.800 -0.388 0.000 1.090 121 F CA 1.037 58.770 58.000 -0.446 0.000 1.293 121 F CB -0.469 38.110 39.000 -0.701 0.000 1.013 121 F HN -0.090 nan 8.300 nan 0.000 0.486 122 F N -1.379 118.546 119.950 -0.042 0.000 2.293 122 F HA -0.013 4.519 4.527 0.008 0.000 0.297 122 F C 2.357 178.122 175.800 -0.059 0.000 1.089 122 F CA 0.585 58.511 58.000 -0.123 0.000 1.377 122 F CB -1.575 37.420 39.000 -0.008 0.000 1.051 122 F HN -0.025 nan 8.300 nan 0.000 0.511 123 F N 0.493 120.437 119.950 -0.009 0.000 2.234 123 F HA -0.128 4.404 4.527 0.008 0.000 0.299 123 F C 2.365 178.146 175.800 -0.032 0.000 1.087 123 F CA 0.665 58.672 58.000 0.012 0.000 1.340 123 F CB 0.013 39.031 39.000 0.029 0.000 1.031 123 F HN -0.014 nan 8.300 nan 0.000 0.500 124 A N 0.121 122.968 122.820 0.046 0.000 1.898 124 A HA -0.152 4.173 4.320 0.008 0.000 0.216 124 A C 2.171 179.707 177.584 -0.079 0.000 1.181 124 A CA 1.147 53.121 52.037 -0.105 0.000 0.620 124 A CB -0.440 18.393 19.000 -0.278 0.000 0.819 124 A HN 0.138 nan 8.150 nan 0.000 0.442 125 K N -0.418 119.871 120.400 -0.186 0.000 2.032 125 K HA -0.153 4.172 4.320 0.008 0.000 0.209 125 K C 1.916 178.509 176.600 -0.011 0.000 1.048 125 K CA 1.383 57.584 56.287 -0.144 0.000 0.927 125 K CB -0.968 31.432 32.500 -0.166 0.000 0.712 125 K HN 0.454 nan 8.250 nan 0.000 0.441 126 L N 2.234 123.487 121.223 0.050 0.000 1.970 126 L HA -0.201 4.144 4.340 0.008 0.000 0.212 126 L C 1.549 178.455 176.870 0.060 0.000 1.071 126 L CA 1.911 56.787 54.840 0.060 0.000 0.751 126 L CB -1.112 40.987 42.059 0.066 0.000 0.889 126 L HN 0.115 nan 8.230 nan 0.000 0.432 127 N N -0.658 118.152 118.700 0.183 0.000 2.091 127 N HA -0.234 4.511 4.740 0.008 0.000 0.193 127 N C 1.943 177.545 175.510 0.154 0.000 1.021 127 N CA 1.849 55.044 53.050 0.242 0.000 0.862 127 N CB -1.134 37.596 38.487 0.405 0.000 1.018 127 N HN 0.486 nan 8.380 nan 0.000 0.429 128 c N 0.601 119.260 118.600 0.099 0.000 2.413 128 c HA -0.065 4.510 4.570 0.008 0.000 0.276 128 c C 2.528 176.638 174.090 0.033 0.000 1.236 128 c CA 0.583 56.953 56.329 0.068 0.000 1.735 128 c CB -0.906 41.614 42.510 0.016 0.000 2.031 128 c HN 0.500 nan 8.230 nan 0.000 0.474 129 R N 0.119 120.617 120.500 -0.003 0.000 2.115 129 R HA 0.031 4.375 4.340 0.008 0.000 0.226 129 R C 2.063 178.320 176.300 -0.071 0.000 1.100 129 R CA 0.887 56.977 56.100 -0.016 0.000 0.980 129 R CB -0.294 30.003 30.300 -0.005 0.000 0.875 129 R HN 0.522 nan 8.270 nan 0.000 0.445 130 L N -0.696 120.409 121.223 -0.196 0.000 2.044 130 L HA -0.141 4.204 4.340 0.008 0.000 0.205 130 L C 1.363 177.977 176.870 -0.428 0.000 1.075 130 L CA 1.447 56.032 54.840 -0.425 0.000 0.747 130 L CB -0.102 41.461 42.059 -0.827 0.000 0.903 130 L HN 0.213 nan 8.230 nan 0.000 0.435 131 Y N -1.593 118.759 120.300 0.086 0.000 2.467 131 Y HA 0.255 4.809 4.550 0.008 0.000 0.250 131 Y C 0.502 176.442 175.900 0.067 0.000 1.155 131 Y CA -0.433 57.717 58.100 0.084 0.000 1.249 131 Y CB 0.347 38.858 38.460 0.086 0.000 1.146 131 Y HN -0.093 nan 8.280 nan 0.000 0.524 132 R N 1.578 122.164 120.500 0.142 0.000 2.363 132 R HA 0.429 4.774 4.340 0.008 0.000 0.297 132 R C -0.838 175.503 176.300 0.069 0.000 1.208 132 R CA -0.287 55.875 56.100 0.105 0.000 1.121 132 R CB 0.948 31.303 30.300 0.091 0.000 1.124 132 R HN 0.073 nan 8.270 nan 0.000 0.561 133 K N 0.217 120.659 120.400 0.070 0.000 2.482 133 K HA 0.486 4.811 4.320 0.008 0.000 0.257 133 K C 0.241 176.873 176.600 0.054 0.000 0.969 133 K CA -0.563 55.758 56.287 0.056 0.000 0.842 133 K CB 2.182 34.715 32.500 0.056 0.000 1.359 133 K HN 0.330 nan 8.250 nan 0.000 0.441 134 A N 1.736 124.583 122.820 0.045 0.000 1.840 134 A HA -0.117 4.208 4.320 0.008 0.000 0.214 134 A C 1.505 179.115 177.584 0.043 0.000 1.198 134 A CA 1.597 53.659 52.037 0.041 0.000 0.608 134 A CB -0.801 18.219 19.000 0.034 0.000 0.839 134 A HN 0.898 nan 8.150 nan 0.000 0.443 135 N N -0.041 118.686 118.700 0.046 0.000 2.011 135 N HA -0.202 4.542 4.740 0.008 0.000 0.199 135 N C -0.285 175.257 175.510 0.054 0.000 1.047 135 N CA 1.329 54.409 53.050 0.049 0.000 0.863 135 N CB -0.333 38.187 38.487 0.054 0.000 1.056 135 N HN 0.377 nan 8.380 nan 0.000 0.427 136 K N 0.105 120.543 120.400 0.064 0.000 3.148 136 K HA -0.163 4.162 4.320 0.008 0.000 0.267 136 K C 0.967 177.607 176.600 0.066 0.000 0.996 136 K CA 0.309 56.638 56.287 0.070 0.000 0.737 136 K CB -1.433 31.105 32.500 0.063 0.000 1.308 136 K HN 0.430 nan 8.250 nan 0.000 0.470 137 S N -1.427 114.318 115.700 0.076 0.000 2.400 137 S HA -0.096 4.379 4.470 0.008 0.000 0.232 137 S C 0.834 175.477 174.600 0.071 0.000 1.025 137 S CA 0.838 59.084 58.200 0.077 0.000 0.993 137 S CB 0.239 63.498 63.200 0.098 0.000 0.808 137 S HN 0.290 nan 8.310 nan 0.000 0.478 138 S N 0.699 116.448 115.700 0.083 0.000 2.542 138 S HA 0.497 4.972 4.470 0.008 0.000 0.293 138 S C -0.762 173.870 174.600 0.054 0.000 1.089 138 S CA -0.919 57.306 58.200 0.042 0.000 0.961 138 S CB 1.971 65.239 63.200 0.113 0.000 1.062 138 S HN 0.414 nan 8.310 nan 0.000 0.483 139 K N 2.083 122.465 120.400 -0.029 0.000 2.312 139 K HA 0.454 4.779 4.320 0.008 0.000 0.287 139 K C -1.499 175.199 176.600 0.162 0.000 1.062 139 K CA -0.427 55.892 56.287 0.053 0.000 0.934 139 K CB 0.291 32.813 32.500 0.036 0.000 1.027 139 K HN 0.414 nan 8.250 nan 0.000 0.478 140 L N 6.498 127.883 121.223 0.269 0.000 2.504 140 L HA 0.331 4.676 4.340 0.008 0.000 0.265 140 L C -1.339 175.793 176.870 0.437 0.000 0.975 140 L CA -0.632 54.448 54.840 0.399 0.000 0.864 140 L CB 1.560 43.853 42.059 0.390 0.000 1.212 140 L HN 0.430 nan 8.230 nan 0.000 0.416 141 V N 1.237 121.370 119.914 0.365 0.000 3.046 141 V HA 0.989 5.114 4.120 0.008 0.000 0.316 141 V C -0.450 175.589 176.094 -0.092 0.000 1.104 141 V CA -0.438 61.963 62.300 0.168 0.000 1.006 141 V CB 1.849 33.730 31.823 0.097 0.000 1.058 141 V HN 0.787 nan 8.190 nan 0.000 0.440 142 S N 0.832 116.254 115.700 -0.463 0.000 2.564 142 S HA 0.914 5.389 4.470 0.008 0.000 0.274 142 S C -0.824 173.613 174.600 -0.271 0.000 1.124 142 S CA 0.066 57.949 58.200 -0.529 0.000 0.869 142 S CB 1.729 64.175 63.200 -1.258 0.000 1.105 142 S HN 2.350 nan 8.310 nan 0.000 0.472 143 A N 3.621 126.376 122.820 -0.108 0.000 2.497 143 A HA 0.637 4.962 4.320 0.008 0.000 0.280 143 A C -1.273 176.468 177.584 0.261 0.000 1.065 143 A CA -0.823 51.249 52.037 0.057 0.000 0.781 143 A CB 0.833 19.836 19.000 0.005 0.000 1.289 143 A HN 0.706 nan 8.150 nan 0.000 0.415 144 N N 1.463 120.273 118.700 0.185 0.000 2.417 144 N HA 0.750 5.495 4.740 0.008 0.000 0.300 144 N C -0.283 175.214 175.510 -0.022 0.000 1.102 144 N CA -0.367 52.750 53.050 0.111 0.000 0.886 144 N CB 2.155 40.632 38.487 -0.016 0.000 1.203 144 N HN 0.816 nan 8.380 nan 0.000 0.496 145 R N 0.903 121.265 120.500 -0.230 0.000 2.663 145 R HA 0.455 4.800 4.340 0.008 0.000 0.267 145 R C -1.767 174.196 176.300 -0.562 0.000 1.038 145 R CA -0.557 55.179 56.100 -0.607 0.000 0.886 145 R CB 1.165 30.662 30.300 -1.339 0.000 1.249 145 R HN 0.449 nan 8.270 nan 0.000 0.463 146 L N 3.005 123.794 121.223 -0.723 0.000 2.334 146 L HA 0.624 4.968 4.340 0.008 0.000 0.273 146 L C -1.063 175.305 176.870 -0.836 0.000 1.013 146 L CA -0.842 53.681 54.840 -0.527 0.000 0.816 146 L CB 1.641 43.454 42.059 -0.410 0.000 1.278 146 L HN 0.511 nan 8.230 nan 0.000 0.431 147 F N 0.575 120.413 119.950 -0.187 0.000 2.513 147 F HA 0.574 5.105 4.527 0.008 0.000 0.358 147 F C 0.639 176.481 175.800 0.070 0.000 1.118 147 F CA -0.650 57.295 58.000 -0.091 0.000 1.037 147 F CB 1.718 40.734 39.000 0.026 0.000 1.276 147 F HN 0.393 nan 8.300 nan 0.000 0.446 148 G N 1.054 109.859 108.800 0.008 0.000 2.417 148 G HA2 0.377 4.341 3.960 0.008 0.000 0.334 148 G HA3 0.377 4.341 3.960 0.008 0.000 0.334 148 G C -1.368 173.723 174.900 0.319 0.000 1.150 148 G CA -0.654 44.555 45.100 0.181 0.000 0.923 148 G HN 0.485 nan 8.290 nan 0.000 0.485 149 D N -0.119 120.608 120.400 0.545 0.000 2.458 149 D HA 0.013 4.658 4.640 0.008 0.000 0.243 149 D C 1.508 177.905 176.300 0.163 0.000 1.146 149 D CA 0.026 54.181 54.000 0.258 0.000 0.877 149 D CB 1.083 42.093 40.800 0.351 0.000 1.176 149 D HN 0.371 nan 8.370 nan 0.000 0.461 150 K N 1.526 121.934 120.400 0.013 0.000 2.362 150 K HA -0.166 4.159 4.320 0.008 0.000 0.202 150 K C 1.343 177.956 176.600 0.023 0.000 1.045 150 K CA 1.440 57.733 56.287 0.010 0.000 0.936 150 K CB 0.044 32.519 32.500 -0.043 0.000 0.747 150 K HN 0.455 nan 8.250 nan 0.000 0.467 151 S N -0.737 114.976 115.700 0.021 0.000 2.535 151 S HA 0.170 4.644 4.470 0.008 0.000 0.214 151 S C 0.511 175.084 174.600 -0.045 0.000 0.980 151 S CA -0.611 57.586 58.200 -0.006 0.000 0.907 151 S CB 0.028 63.227 63.200 -0.002 0.000 0.790 151 S HN 0.083 nan 8.310 nan 0.000 0.510 152 L N 1.494 122.666 121.223 -0.086 0.000 2.375 152 L HA 0.494 4.839 4.340 0.008 0.000 0.268 152 L C -0.243 176.449 176.870 -0.296 0.000 1.058 152 L CA -0.650 54.035 54.840 -0.259 0.000 0.803 152 L CB 1.478 43.243 42.059 -0.491 0.000 1.212 152 L HN -0.035 nan 8.230 nan 0.000 0.451 153 T N 1.675 116.043 114.554 -0.310 0.000 2.781 153 T HA 0.434 4.789 4.350 0.008 0.000 0.305 153 T C -0.402 174.139 174.700 -0.266 0.000 1.001 153 T CA -0.225 61.766 62.100 -0.181 0.000 0.950 153 T CB -0.137 68.674 68.868 -0.096 0.000 0.955 153 T HN 0.089 nan 8.240 nan 0.000 0.471 154 F N 3.173 123.134 119.950 0.019 0.000 2.412 154 F HA 0.251 4.783 4.527 0.008 0.000 0.348 154 F C 1.347 177.177 175.800 0.051 0.000 1.102 154 F CA -0.892 57.135 58.000 0.045 0.000 1.196 154 F CB 0.580 39.627 39.000 0.079 0.000 1.144 154 F HN 0.416 nan 8.300 nan 0.000 0.541 155 N N 3.141 121.980 118.700 0.231 0.000 2.294 155 N HA -0.115 4.629 4.740 0.008 0.000 0.263 155 N C 0.879 176.498 175.510 0.181 0.000 1.281 155 N CA 0.470 53.615 53.050 0.159 0.000 0.846 155 N CB 0.538 39.109 38.487 0.140 0.000 1.061 155 N HN 0.742 nan 8.380 nan 0.000 0.478 156 E N 1.520 121.780 120.200 0.100 0.000 2.106 156 E HA -0.160 4.195 4.350 0.008 0.000 0.192 156 E C 1.531 178.153 176.600 0.037 0.000 0.984 156 E CA 1.781 58.217 56.400 0.060 0.000 0.806 156 E CB 0.062 29.780 29.700 0.029 0.000 0.750 156 E HN 0.841 nan 8.360 nan 0.000 0.458 157 T N -0.633 113.951 114.554 0.050 0.000 2.737 157 T HA -0.244 4.111 4.350 0.008 0.000 0.265 157 T C 1.977 176.695 174.700 0.030 0.000 1.038 157 T CA 1.192 63.308 62.100 0.026 0.000 1.144 157 T CB -0.784 68.102 68.868 0.030 0.000 0.866 157 T HN 0.237 nan 8.240 nan 0.000 0.434 158 Y N 2.004 122.288 120.300 -0.027 0.000 2.151 158 Y HA -0.181 4.374 4.550 0.008 0.000 0.284 158 Y C 2.766 178.631 175.900 -0.058 0.000 1.166 158 Y CA 1.845 59.921 58.100 -0.040 0.000 1.163 158 Y CB -0.644 37.808 38.460 -0.013 0.000 0.974 158 Y HN 0.332 nan 8.280 nan 0.000 0.511 159 Q N -0.110 119.565 119.800 -0.209 0.000 2.016 159 Q HA -0.201 4.143 4.340 0.008 0.000 0.200 159 Q C 1.796 177.628 176.000 -0.281 0.000 0.978 159 Q CA 1.911 57.516 55.803 -0.330 0.000 0.833 159 Q CB -0.158 28.512 28.738 -0.114 0.000 0.895 159 Q HN 0.525 nan 8.270 nan 0.000 0.427 160 D N 0.426 120.727 120.400 -0.164 0.000 2.178 160 D HA -0.149 4.496 4.640 0.008 0.000 0.201 160 D C 1.826 178.034 176.300 -0.153 0.000 0.980 160 D CA 0.860 54.779 54.000 -0.135 0.000 0.842 160 D CB -0.053 40.697 40.800 -0.083 0.000 0.948 160 D HN 0.361 nan 8.370 nan 0.000 0.472 161 I N 0.467 120.935 120.570 -0.170 0.000 2.500 161 I HA -0.198 3.977 4.170 0.008 0.000 0.252 161 I C 1.955 177.947 176.117 -0.208 0.000 1.142 161 I CA 0.671 61.871 61.300 -0.168 0.000 1.451 161 I CB 0.212 38.128 38.000 -0.140 0.000 1.093 161 I HN -0.175 nan 8.210 nan 0.000 0.430 162 S N 0.338 115.863 115.700 -0.292 0.000 2.368 162 S HA -0.240 4.235 4.470 0.008 0.000 0.224 162 S C 1.805 176.298 174.600 -0.178 0.000 1.029 162 S CA 1.574 59.621 58.200 -0.255 0.000 0.988 162 S CB -0.223 62.658 63.200 -0.532 0.000 0.838 162 S HN 0.525 nan 8.310 nan 0.000 0.462 163 E N 0.611 120.683 120.200 -0.213 0.000 2.106 163 E HA -0.136 4.218 4.350 0.008 0.000 0.192 163 E C 2.042 178.564 176.600 -0.129 0.000 0.984 163 E CA 0.779 57.080 56.400 -0.164 0.000 0.806 163 E CB -0.115 29.487 29.700 -0.163 0.000 0.750 163 E HN 0.346 nan 8.360 nan 0.000 0.458 164 L N 0.227 121.367 121.223 -0.138 0.000 1.973 164 L HA -0.115 4.229 4.340 0.008 0.000 0.208 164 L C 2.268 179.041 176.870 -0.162 0.000 1.073 164 L CA 1.471 56.237 54.840 -0.124 0.000 0.746 164 L CB -0.571 41.422 42.059 -0.111 0.000 0.891 164 L HN 0.036 nan 8.230 nan 0.000 0.433 165 V N -1.104 118.663 119.914 -0.245 0.000 2.427 165 V HA -0.249 3.875 4.120 0.008 0.000 0.248 165 V C 1.561 177.282 176.094 -0.621 0.000 1.051 165 V CA 1.739 63.768 62.300 -0.452 0.000 1.048 165 V CB -0.744 30.708 31.823 -0.619 0.000 0.666 165 V HN 0.522 nan 8.190 nan 0.000 0.456 166 Y N -0.266 119.956 120.300 -0.129 0.000 2.612 166 Y HA 0.512 5.067 4.550 0.008 0.000 0.250 166 Y C 1.774 177.601 175.900 -0.121 0.000 1.175 166 Y CA -0.132 57.885 58.100 -0.138 0.000 1.205 166 Y CB 0.149 38.498 38.460 -0.184 0.000 1.201 166 Y HN 0.259 nan 8.280 nan 0.000 0.532 167 G N 1.104 109.891 108.800 -0.022 0.000 2.258 167 G HA2 -0.229 3.736 3.960 0.008 0.000 0.274 167 G HA3 -0.229 3.736 3.960 0.008 0.000 0.274 167 G C 0.248 175.116 174.900 -0.054 0.000 1.021 167 G CA 0.357 45.436 45.100 -0.035 0.000 0.798 167 G HN 0.629 nan 8.290 nan 0.000 0.507 168 A N 0.068 122.838 122.820 -0.085 0.000 2.341 168 A HA 0.669 4.994 4.320 0.008 0.000 0.326 168 A C 0.601 178.030 177.584 -0.259 0.000 1.402 168 A CA -0.327 51.606 52.037 -0.173 0.000 0.957 168 A CB 0.478 19.371 19.000 -0.179 0.000 1.151 168 A HN 0.404 nan 8.150 nan 0.000 0.533 169 K N 1.285 121.512 120.400 -0.287 0.000 2.168 169 K HA 0.371 4.696 4.320 0.008 0.000 0.258 169 K C -0.613 175.724 176.600 -0.438 0.000 1.010 169 K CA -0.292 55.808 56.287 -0.312 0.000 0.929 169 K CB 1.275 33.618 32.500 -0.261 0.000 0.998 169 K HN 0.666 nan 8.250 nan 0.000 0.479 170 L N 2.818 123.802 121.223 -0.399 0.000 2.255 170 L HA 0.146 4.491 4.340 0.008 0.000 0.289 170 L C -0.388 176.221 176.870 -0.435 0.000 1.046 170 L CA -0.187 54.373 54.840 -0.466 0.000 0.816 170 L CB 0.804 42.607 42.059 -0.426 0.000 1.197 170 L HN 0.567 nan 8.230 nan 0.000 0.427 171 Q N 6.548 125.997 119.800 -0.585 0.000 2.241 171 Q HA 0.456 4.801 4.340 0.008 0.000 0.254 171 Q C -2.429 173.407 176.000 -0.273 0.000 0.917 171 Q CA -1.907 53.629 55.803 -0.444 0.000 0.919 171 Q CB 1.700 30.083 28.738 -0.592 0.000 1.237 171 Q HN 0.367 nan 8.270 nan 0.000 0.434 172 P HA 0.192 nan 4.420 nan 0.000 0.276 172 P C -1.391 175.824 177.300 -0.142 0.000 1.230 172 P CA -0.209 62.826 63.100 -0.108 0.000 0.776 172 P CB 0.695 32.353 31.700 -0.071 0.000 0.888 173 L N 2.719 123.789 121.223 -0.255 0.000 2.472 173 L HA 0.365 4.709 4.340 0.008 0.000 0.260 173 L C -0.634 175.913 176.870 -0.539 0.000 0.963 173 L CA -0.442 54.129 54.840 -0.449 0.000 0.829 173 L CB 2.201 43.825 42.059 -0.726 0.000 1.348 173 L HN 0.193 nan 8.230 nan 0.000 0.408 174 D N 1.722 121.905 120.400 -0.362 0.000 2.494 174 D HA 0.201 4.846 4.640 0.008 0.000 0.217 174 D C 0.524 176.738 176.300 -0.144 0.000 1.153 174 D CA 0.067 53.947 54.000 -0.200 0.000 0.954 174 D CB 0.228 40.974 40.800 -0.088 0.000 1.034 174 D HN 0.253 nan 8.370 nan 0.000 0.518 175 F N 1.863 121.835 119.950 0.037 0.000 2.234 175 F HA 0.108 4.639 4.527 0.008 0.000 0.296 175 F C 2.255 178.069 175.800 0.023 0.000 1.089 175 F CA 0.519 58.536 58.000 0.029 0.000 1.343 175 F CB -0.229 38.794 39.000 0.038 0.000 1.040 175 F HN 0.259 nan 8.300 nan 0.000 0.498 176 K N -0.077 120.441 120.400 0.197 0.000 2.063 176 K HA -0.211 4.114 4.320 0.008 0.000 0.208 176 K C 1.607 178.254 176.600 0.078 0.000 1.048 176 K CA 1.854 58.211 56.287 0.115 0.000 0.928 176 K CB -0.145 32.403 32.500 0.079 0.000 0.713 176 K HN 0.104 nan 8.250 nan 0.000 0.442 177 E N -0.612 119.624 120.200 0.060 0.000 2.473 177 E HA 0.122 4.476 4.350 0.008 0.000 0.204 177 E C -0.505 176.119 176.600 0.039 0.000 0.994 177 E CA 0.119 56.542 56.400 0.039 0.000 0.945 177 E CB 0.738 30.451 29.700 0.021 0.000 0.990 177 E HN 0.112 nan 8.360 nan 0.000 0.493 178 N N -0.130 118.601 118.700 0.051 0.000 2.697 178 N HA 0.175 4.919 4.740 0.008 0.000 0.253 178 N C -0.122 175.441 175.510 0.089 0.000 1.604 178 N CA 0.341 53.419 53.050 0.046 0.000 0.772 178 N CB 1.508 40.002 38.487 0.012 0.000 1.267 178 N HN 0.025 nan 8.380 nan 0.000 0.510 179 A N 0.668 123.560 122.820 0.121 0.000 1.883 179 A HA -0.168 4.157 4.320 0.008 0.000 0.217 179 A C 1.992 179.646 177.584 0.117 0.000 1.186 179 A CA 1.298 53.437 52.037 0.169 0.000 0.624 179 A CB -0.021 19.045 19.000 0.109 0.000 0.822 179 A HN 0.270 nan 8.150 nan 0.000 0.444 180 E N -0.302 119.936 120.200 0.063 0.000 2.072 180 E HA -0.164 4.190 4.350 0.008 0.000 0.191 180 E C 2.308 178.924 176.600 0.026 0.000 0.985 180 E CA 1.012 57.432 56.400 0.034 0.000 0.801 180 E CB -0.363 29.349 29.700 0.020 0.000 0.750 180 E HN 0.600 nan 8.360 nan 0.000 0.452 181 Q N 0.364 120.178 119.800 0.024 0.000 2.077 181 Q HA -0.117 4.228 4.340 0.008 0.000 0.206 181 Q C 2.331 178.333 176.000 0.004 0.000 0.989 181 Q CA 1.325 57.133 55.803 0.007 0.000 0.853 181 Q CB -0.412 28.326 28.738 -0.002 0.000 0.907 181 Q HN 0.143 nan 8.270 nan 0.000 0.418 182 S N 0.572 116.286 115.700 0.023 0.000 2.356 182 S HA -0.159 4.316 4.470 0.008 0.000 0.223 182 S C 1.891 176.515 174.600 0.039 0.000 1.032 182 S CA 1.241 59.459 58.200 0.029 0.000 1.005 182 S CB -0.228 63.039 63.200 0.112 0.000 0.867 182 S HN 0.331 nan 8.310 nan 0.000 0.449 183 R N 1.282 121.816 120.500 0.057 0.000 2.080 183 R HA -0.137 4.208 4.340 0.008 0.000 0.236 183 R C 2.440 178.712 176.300 -0.046 0.000 1.137 183 R CA 1.535 57.629 56.100 -0.010 0.000 0.943 183 R CB -0.600 29.688 30.300 -0.020 0.000 0.846 183 R HN 0.387 nan 8.270 nan 0.000 0.431 184 A N 0.606 123.410 122.820 -0.027 0.000 1.940 184 A HA -0.162 4.163 4.320 0.008 0.000 0.219 184 A C 2.347 179.916 177.584 -0.026 0.000 1.176 184 A CA 1.860 53.880 52.037 -0.027 0.000 0.631 184 A CB -0.797 18.195 19.000 -0.015 0.000 0.814 184 A HN 0.592 nan 8.150 nan 0.000 0.446 185 A N 0.096 122.899 122.820 -0.028 0.000 1.858 185 A HA -0.115 4.209 4.320 0.008 0.000 0.216 185 A C 2.136 179.694 177.584 -0.044 0.000 1.190 185 A CA 1.623 53.651 52.037 -0.016 0.000 0.617 185 A CB -0.647 18.341 19.000 -0.020 0.000 0.827 185 A HN 0.518 nan 8.150 nan 0.000 0.443 186 I N -0.023 120.426 120.570 -0.202 0.000 2.142 186 I HA -0.268 3.907 4.170 0.008 0.000 0.240 186 I C 2.109 178.173 176.117 -0.087 0.000 1.078 186 I CA 1.339 62.406 61.300 -0.388 0.000 1.343 186 I CB -0.622 37.019 38.000 -0.600 0.000 1.046 186 I HN 0.284 nan 8.210 nan 0.000 0.405 187 N N 1.041 119.698 118.700 -0.071 0.000 2.149 187 N HA -0.217 4.528 4.740 0.008 0.000 0.188 187 N C 1.772 177.282 175.510 0.000 0.000 1.019 187 N CA 1.267 54.299 53.050 -0.030 0.000 0.857 187 N CB -0.319 38.140 38.487 -0.047 0.000 0.997 187 N HN 0.380 nan 8.380 nan 0.000 0.426 188 K N -0.544 119.865 120.400 0.015 0.000 2.057 188 K HA -0.137 4.188 4.320 0.008 0.000 0.206 188 K C 1.961 178.591 176.600 0.049 0.000 1.050 188 K CA 0.714 57.012 56.287 0.018 0.000 0.935 188 K CB -0.188 32.329 32.500 0.027 0.000 0.715 188 K HN 0.197 nan 8.250 nan 0.000 0.439 189 W N 1.133 122.413 121.300 -0.034 0.000 2.363 189 W HA -0.212 4.453 4.660 0.008 0.000 0.296 189 W C 1.510 178.033 176.519 0.006 0.000 1.212 189 W CA 1.101 58.458 57.345 0.020 0.000 1.260 189 W CB -0.181 29.357 29.460 0.130 0.000 1.131 189 W HN -0.205 nan 8.180 nan 0.000 0.530 190 V N -0.135 119.822 119.914 0.072 0.000 2.358 190 V HA -0.303 3.822 4.120 0.008 0.000 0.246 190 V C 2.482 178.460 176.094 -0.194 0.000 1.047 190 V CA 2.138 64.392 62.300 -0.077 0.000 1.035 190 V CB -1.335 30.520 31.823 0.053 0.000 0.658 190 V HN 0.302 nan 8.190 nan 0.000 0.452 191 S N 0.211 115.831 115.700 -0.134 0.000 2.383 191 S HA -0.249 4.226 4.470 0.008 0.000 0.229 191 S C 1.968 176.437 174.600 -0.217 0.000 1.030 191 S CA 1.843 59.956 58.200 -0.145 0.000 1.002 191 S CB -0.510 62.630 63.200 -0.101 0.000 0.829 191 S HN 0.640 nan 8.310 nan 0.000 0.467 192 N N 0.623 119.159 118.700 -0.274 0.000 2.244 192 N HA -0.019 4.725 4.740 0.008 0.000 0.183 192 N C 1.267 176.535 175.510 -0.403 0.000 1.016 192 N CA 0.872 53.732 53.050 -0.318 0.000 0.866 192 N CB -0.096 38.199 38.487 -0.320 0.000 0.980 192 N HN 0.358 nan 8.380 nan 0.000 0.430 193 K N 0.267 120.354 120.400 -0.522 0.000 2.444 193 K HA 0.062 4.387 4.320 0.008 0.000 0.193 193 K C 0.980 177.397 176.600 -0.305 0.000 1.024 193 K CA 0.452 56.450 56.287 -0.481 0.000 1.077 193 K CB 0.188 32.278 32.500 -0.683 0.000 0.833 193 K HN 0.279 nan 8.250 nan 0.000 0.517 194 T N -1.309 113.091 114.554 -0.257 0.000 3.331 194 T HA 0.165 4.520 4.350 0.008 0.000 0.282 194 T C -0.136 174.428 174.700 -0.227 0.000 1.010 194 T CA -0.417 61.624 62.100 -0.097 0.000 0.928 194 T CB 0.204 69.070 68.868 -0.002 0.000 1.154 194 T HN -0.062 nan 8.240 nan 0.000 0.516 195 E N 1.078 121.008 120.200 -0.451 0.000 2.450 195 E HA -0.262 4.092 4.350 0.008 0.000 0.244 195 E C 1.272 177.722 176.600 -0.250 0.000 1.226 195 E CA 1.246 57.400 56.400 -0.410 0.000 0.720 195 E CB -2.002 27.360 29.700 -0.565 0.000 1.254 195 E HN 1.268 nan 8.360 nan 0.000 0.399 196 G N -0.264 108.407 108.800 -0.215 0.000 2.155 196 G HA2 -0.408 3.557 3.960 0.008 0.000 0.257 196 G HA3 -0.408 3.557 3.960 0.008 0.000 0.257 196 G C 0.936 175.718 174.900 -0.197 0.000 0.983 196 G CA 0.643 45.639 45.100 -0.173 0.000 0.676 196 G HN 0.229 nan 8.290 nan 0.000 0.528 197 R N -0.433 119.907 120.500 -0.267 0.000 2.200 197 R HA 0.267 4.612 4.340 0.008 0.000 0.208 197 R C 1.114 177.290 176.300 -0.207 0.000 1.033 197 R CA 0.426 56.244 56.100 -0.471 0.000 1.000 197 R CB 0.068 29.779 30.300 -0.983 0.000 0.906 197 R HN 0.471 nan 8.270 nan 0.000 0.462 198 I N 1.462 121.972 120.570 -0.101 0.000 2.405 198 I HA 0.116 4.291 4.170 0.008 0.000 0.280 198 I C 1.126 177.219 176.117 -0.040 0.000 1.027 198 I CA 0.046 61.332 61.300 -0.024 0.000 1.161 198 I CB 1.275 39.274 38.000 -0.001 0.000 1.300 198 I HN -0.024 nan 8.210 nan 0.000 0.463 199 T N 0.251 114.791 114.554 -0.024 0.000 2.985 199 T HA 0.163 4.518 4.350 0.008 0.000 0.254 199 T C 0.589 175.273 174.700 -0.027 0.000 1.021 199 T CA 0.277 62.359 62.100 -0.031 0.000 0.957 199 T CB 0.383 69.234 68.868 -0.029 0.000 1.047 199 T HN 0.450 nan 8.240 nan 0.000 0.511 200 D N 0.972 121.359 120.400 -0.023 0.000 3.078 200 D HA 0.195 4.839 4.640 0.008 0.000 0.363 200 D C 1.484 177.748 176.300 -0.059 0.000 1.391 200 D CA 0.039 54.014 54.000 -0.041 0.000 0.754 200 D CB 1.040 41.820 40.800 -0.033 0.000 1.238 200 D HN 0.165 nan 8.370 nan 0.000 0.500 201 V N 0.139 120.025 119.914 -0.048 0.000 2.313 201 V HA -0.182 3.942 4.120 0.008 0.000 0.253 201 V C 1.481 177.506 176.094 -0.114 0.000 1.070 201 V CA 1.290 63.564 62.300 -0.043 0.000 1.057 201 V CB -0.506 31.313 31.823 -0.007 0.000 0.653 201 V HN 0.367 nan 8.190 nan 0.000 0.450 202 I N 1.797 122.260 120.570 -0.177 0.000 2.315 202 I HA 0.312 4.487 4.170 0.008 0.000 0.291 202 I C -2.323 173.554 176.117 -0.400 0.000 1.006 202 I CA -2.071 59.001 61.300 -0.379 0.000 1.265 202 I CB 1.235 39.094 38.000 -0.235 0.000 1.387 202 I HN 0.076 nan 8.210 nan 0.000 0.475 203 P HA 0.029 nan 4.420 nan 0.000 0.271 203 P C 0.719 177.880 177.300 -0.232 0.000 1.233 203 P CA -0.189 62.694 63.100 -0.362 0.000 0.789 203 P CB 0.600 32.055 31.700 -0.407 0.000 0.951 204 S N 1.013 116.639 115.700 -0.123 0.000 2.392 204 S HA -0.274 4.201 4.470 0.008 0.000 0.225 204 S C 1.063 175.630 174.600 -0.056 0.000 1.041 204 S CA 1.765 59.922 58.200 -0.071 0.000 1.100 204 S CB -1.368 61.810 63.200 -0.035 0.000 1.029 204 S HN 0.520 nan 8.310 nan 0.000 0.424 205 E N 1.488 121.667 120.200 -0.035 0.000 2.368 205 E HA 0.534 4.888 4.350 0.008 0.000 0.188 205 E C 1.561 178.165 176.600 0.007 0.000 1.061 205 E CA 0.346 56.742 56.400 -0.005 0.000 0.933 205 E CB -0.066 29.644 29.700 0.017 0.000 1.091 205 E HN 0.653 nan 8.360 nan 0.000 0.458 206 A N 0.516 123.318 122.820 -0.031 0.000 2.015 206 A HA 0.009 4.334 4.320 0.008 0.000 0.219 206 A C 0.912 178.516 177.584 0.033 0.000 1.163 206 A CA 0.613 52.672 52.037 0.036 0.000 0.646 206 A CB 0.003 18.944 19.000 -0.099 0.000 0.806 206 A HN 0.203 nan 8.150 nan 0.000 0.448 207 I N 1.111 121.668 120.570 -0.022 0.000 2.406 207 I HA 0.292 4.467 4.170 0.008 0.000 0.290 207 I C -0.700 175.404 176.117 -0.021 0.000 0.999 207 I CA -0.804 60.459 61.300 -0.061 0.000 1.124 207 I CB 1.717 39.662 38.000 -0.092 0.000 1.289 207 I HN 0.426 nan 8.210 nan 0.000 0.441 208 N N 3.399 122.081 118.700 -0.030 0.000 2.966 208 N HA 0.286 5.031 4.740 0.008 0.000 0.314 208 N C 0.245 175.776 175.510 0.034 0.000 1.397 208 N CA -0.827 52.234 53.050 0.018 0.000 0.776 208 N CB 0.496 38.999 38.487 0.027 0.000 1.576 208 N HN 0.312 nan 8.380 nan 0.000 0.592 209 E N -0.192 120.044 120.200 0.060 0.000 2.233 209 E HA -0.109 4.245 4.350 0.008 0.000 0.199 209 E C 1.029 177.672 176.600 0.071 0.000 1.004 209 E CA 1.386 57.833 56.400 0.079 0.000 0.819 209 E CB -0.489 29.247 29.700 0.061 0.000 0.738 209 E HN 0.560 nan 8.360 nan 0.000 0.478 210 L N 0.508 121.753 121.223 0.038 0.000 2.592 210 L HA 0.102 4.447 4.340 0.008 0.000 0.227 210 L C 0.282 177.135 176.870 -0.029 0.000 1.127 210 L CA -0.047 54.808 54.840 0.025 0.000 0.884 210 L CB -0.320 41.762 42.059 0.039 0.000 1.065 210 L HN -0.063 nan 8.230 nan 0.000 0.457 211 T N 0.356 114.851 114.554 -0.098 0.000 2.829 211 T HA 0.035 4.390 4.350 0.008 0.000 0.293 211 T C 1.299 175.880 174.700 -0.199 0.000 0.970 211 T CA -0.053 61.868 62.100 -0.297 0.000 1.168 211 T CB 2.047 70.500 68.868 -0.691 0.000 0.911 211 T HN -0.106 nan 8.240 nan 0.000 0.535 212 V N 3.507 123.346 119.914 -0.125 0.000 2.492 212 V HA 0.294 4.419 4.120 0.008 0.000 0.241 212 V C 0.367 176.607 176.094 0.243 0.000 1.041 212 V CA 0.658 63.011 62.300 0.089 0.000 1.057 212 V CB -0.032 31.817 31.823 0.044 0.000 0.711 212 V HN 0.659 nan 8.190 nan 0.000 0.468 213 L N -1.045 120.204 121.223 0.043 0.000 2.518 213 L HA 0.655 4.999 4.340 0.008 0.000 0.257 213 L C -1.579 175.272 176.870 -0.031 0.000 0.980 213 L CA -0.340 54.565 54.840 0.108 0.000 0.837 213 L CB 2.398 44.522 42.059 0.108 0.000 1.410 213 L HN -0.174 nan 8.230 nan 0.000 0.410 214 V N 4.571 124.533 119.914 0.081 0.000 2.447 214 V HA 0.460 4.585 4.120 0.008 0.000 0.292 214 V C -0.757 175.402 176.094 0.108 0.000 1.021 214 V CA -0.415 61.915 62.300 0.050 0.000 0.850 214 V CB 1.433 33.289 31.823 0.055 0.000 1.005 214 V HN 0.552 nan 8.190 nan 0.000 0.426 215 L N 5.933 127.148 121.223 -0.013 0.000 2.292 215 L HA 0.671 5.015 4.340 0.008 0.000 0.284 215 L C -0.110 176.739 176.870 -0.036 0.000 1.065 215 L CA 0.016 54.823 54.840 -0.056 0.000 0.806 215 L CB 1.452 43.418 42.059 -0.155 0.000 1.175 215 L HN 0.376 nan 8.230 nan 0.000 0.431 216 V N 2.393 122.316 119.914 0.015 0.000 2.789 216 V HA 0.546 4.671 4.120 0.008 0.000 0.311 216 V C -0.579 175.565 176.094 0.083 0.000 1.073 216 V CA -0.768 61.581 62.300 0.082 0.000 0.921 216 V CB 2.193 34.157 31.823 0.235 0.000 1.009 216 V HN 0.833 nan 8.190 nan 0.000 0.426 217 N N 1.569 120.322 118.700 0.088 0.000 2.292 217 N HA 0.838 5.583 4.740 0.008 0.000 0.303 217 N C -0.880 174.711 175.510 0.135 0.000 1.140 217 N CA -0.151 52.949 53.050 0.084 0.000 0.788 217 N CB 2.443 40.935 38.487 0.008 0.000 1.361 217 N HN 0.920 nan 8.380 nan 0.000 0.489 218 T N -0.016 114.605 114.554 0.112 0.000 2.956 218 T HA 0.641 4.996 4.350 0.008 0.000 0.312 218 T C -0.783 173.951 174.700 0.056 0.000 1.151 218 T CA -0.703 61.446 62.100 0.082 0.000 1.024 218 T CB 0.485 69.366 68.868 0.022 0.000 1.140 218 T HN 0.380 nan 8.240 nan 0.000 0.473 219 I N 2.093 122.734 120.570 0.119 0.000 2.656 219 I HA 0.525 4.700 4.170 0.008 0.000 0.292 219 I C -1.743 174.566 176.117 0.321 0.000 1.144 219 I CA -1.125 60.275 61.300 0.167 0.000 1.038 219 I CB 2.617 40.700 38.000 0.139 0.000 1.244 219 I HN 0.810 nan 8.210 nan 0.000 0.420 220 Y N 6.670 127.097 120.300 0.211 0.000 2.373 220 Y HA 0.640 5.195 4.550 0.009 0.000 0.336 220 Y C -1.752 174.336 175.900 0.314 0.000 0.979 220 Y CA -0.936 57.294 58.100 0.217 0.000 1.080 220 Y CB 1.721 40.207 38.460 0.043 0.000 1.190 220 Y HN 0.457 nan 8.280 nan 0.000 0.446 221 F N 6.062 125.712 119.950 -0.499 0.000 2.588 221 F HA 0.740 5.271 4.527 0.008 0.000 0.314 221 F C -1.722 173.746 175.800 -0.554 0.000 1.069 221 F CA -0.941 56.882 58.000 -0.295 0.000 0.931 221 F CB 1.824 40.819 39.000 -0.009 0.000 1.260 221 F HN 0.458 nan 8.300 nan 0.000 0.465 222 K N 3.593 123.009 120.400 -1.639 0.000 2.670 222 K HA 0.512 4.837 4.320 0.008 0.000 0.274 222 K C -1.355 174.451 176.600 -1.324 0.000 1.068 222 K CA -0.425 55.037 56.287 -1.375 0.000 0.967 222 K CB 1.049 33.241 32.500 -0.513 0.000 1.297 222 K HN 1.019 nan 8.250 nan 0.000 0.477 223 G N 3.002 110.863 108.800 -1.565 0.000 2.511 223 G HA2 0.672 4.636 3.960 0.008 0.000 0.318 223 G HA3 0.672 4.636 3.960 0.008 0.000 0.318 223 G C -1.140 173.596 174.900 -0.274 0.000 1.210 223 G CA -0.801 43.838 45.100 -0.769 0.000 0.969 223 G HN 0.380 nan 8.290 nan 0.000 0.484 224 L N 0.091 121.339 121.223 0.042 0.000 2.325 224 L HA 0.399 4.744 4.340 0.008 0.000 0.278 224 L C -0.347 176.703 176.870 0.299 0.000 1.023 224 L CA -0.832 54.059 54.840 0.086 0.000 0.811 224 L CB 1.840 43.950 42.059 0.084 0.000 1.249 224 L HN 0.599 nan 8.230 nan 0.000 0.431 225 W N 2.715 124.183 121.300 0.281 0.000 2.257 225 W HA 0.003 4.670 4.660 0.012 0.000 0.337 225 W C 1.495 178.060 176.519 0.077 0.000 1.321 225 W CA -0.225 57.189 57.345 0.115 0.000 1.267 225 W CB 0.667 30.157 29.460 0.049 0.000 1.187 225 W HN 0.602 nan 8.180 nan 0.000 0.565 226 K N 0.888 121.486 120.400 0.330 0.000 2.217 226 K HA -0.071 4.253 4.320 0.008 0.000 0.202 226 K C 0.185 176.836 176.600 0.086 0.000 1.051 226 K CA 1.010 57.399 56.287 0.170 0.000 0.952 226 K CB 0.050 32.617 32.500 0.111 0.000 0.736 226 K HN 0.272 nan 8.250 nan 0.000 0.453 227 S N 1.493 117.230 115.700 0.062 0.000 2.399 227 S HA 0.264 4.739 4.470 0.008 0.000 0.215 227 S C -1.108 173.420 174.600 -0.121 0.000 1.456 227 S CA -0.770 57.389 58.200 -0.069 0.000 1.199 227 S CB 1.306 64.390 63.200 -0.193 0.000 1.063 227 S HN 0.154 nan 8.310 nan 0.000 0.476 228 K N 1.265 121.688 120.400 0.038 0.000 2.187 228 K HA 0.322 4.647 4.320 0.008 0.000 0.247 228 K C -0.627 175.905 176.600 -0.114 0.000 1.019 228 K CA 0.176 56.536 56.287 0.121 0.000 0.893 228 K CB 0.362 33.010 32.500 0.247 0.000 1.025 228 K HN 0.337 nan 8.250 nan 0.000 0.500 229 F N -0.171 119.850 119.950 0.119 0.000 2.432 229 F HA 0.207 4.738 4.527 0.006 0.000 0.329 229 F C 0.688 176.538 175.800 0.084 0.000 1.076 229 F CA -0.634 57.399 58.000 0.055 0.000 1.018 229 F CB 1.632 40.648 39.000 0.026 0.000 1.201 229 F HN 0.259 nan 8.300 nan 0.000 0.489 230 S N 2.717 118.573 115.700 0.261 0.000 2.499 230 S HA 0.226 4.701 4.470 0.008 0.000 0.279 230 S C -1.864 172.834 174.600 0.163 0.000 1.219 230 S CA -0.976 57.328 58.200 0.173 0.000 1.062 230 S CB 1.505 64.779 63.200 0.125 0.000 0.978 230 S HN 0.357 nan 8.310 nan 0.000 0.489 231 P HA -0.106 nan 4.420 nan 0.000 0.223 231 P C 1.393 178.734 177.300 0.069 0.000 1.151 231 P CA 0.595 63.751 63.100 0.094 0.000 0.787 231 P CB 0.141 31.889 31.700 0.079 0.000 0.788 232 E N -0.525 119.714 120.200 0.065 0.000 2.204 232 E HA -0.154 4.200 4.350 0.008 0.000 0.195 232 E C 0.862 177.482 176.600 0.033 0.000 0.990 232 E CA 1.043 57.468 56.400 0.042 0.000 0.821 232 E CB -1.139 28.583 29.700 0.037 0.000 0.750 232 E HN 0.368 nan 8.360 nan 0.000 0.477 233 N N 1.023 119.759 118.700 0.061 0.000 2.322 233 N HA 0.022 4.767 4.740 0.008 0.000 0.194 233 N C -0.293 175.248 175.510 0.051 0.000 1.126 233 N CA 0.262 53.341 53.050 0.048 0.000 0.845 233 N CB 0.603 39.176 38.487 0.144 0.000 0.976 233 N HN 0.035 nan 8.380 nan 0.000 0.475 234 T N 1.677 116.259 114.554 0.046 0.000 2.771 234 T HA 0.398 4.752 4.350 0.008 0.000 0.291 234 T C 0.305 175.016 174.700 0.018 0.000 0.954 234 T CA -0.248 61.871 62.100 0.031 0.000 1.045 234 T CB 1.122 70.005 68.868 0.025 0.000 0.917 234 T HN -0.042 nan 8.240 nan 0.000 0.484 235 R N 1.994 122.506 120.500 0.021 0.000 2.807 235 R HA 0.595 4.939 4.340 0.008 0.000 0.276 235 R C -0.594 175.726 176.300 0.033 0.000 0.979 235 R CA -0.992 55.120 56.100 0.020 0.000 0.928 235 R CB 0.906 31.213 30.300 0.011 0.000 1.191 235 R HN 0.302 nan 8.270 nan 0.000 0.471 236 K N 1.109 121.528 120.400 0.031 0.000 2.258 236 K HA 0.242 4.567 4.320 0.008 0.000 0.264 236 K C -0.695 175.938 176.600 0.055 0.000 1.007 236 K CA 0.062 56.372 56.287 0.038 0.000 0.941 236 K CB 0.595 33.113 32.500 0.030 0.000 0.966 236 K HN 0.601 nan 8.250 nan 0.000 0.480 237 E N 2.743 122.987 120.200 0.073 0.000 2.311 237 E HA 0.178 4.533 4.350 0.008 0.000 0.281 237 E C -1.379 175.297 176.600 0.127 0.000 0.905 237 E CA -0.733 55.727 56.400 0.100 0.000 0.778 237 E CB 0.694 30.462 29.700 0.115 0.000 1.240 237 E HN 0.209 nan 8.360 nan 0.000 0.410 238 L N 4.448 125.751 121.223 0.133 0.000 2.513 238 L HA 0.201 4.546 4.340 0.008 0.000 0.272 238 L C -0.466 176.523 176.870 0.199 0.000 1.187 238 L CA 0.830 55.741 54.840 0.117 0.000 0.895 238 L CB -0.126 42.025 42.059 0.153 0.000 1.147 238 L HN 0.468 nan 8.230 nan 0.000 0.483 239 F N 4.365 124.288 119.950 -0.045 0.000 2.426 239 F HA 0.426 4.957 4.527 0.007 0.000 0.348 239 F C -0.818 174.926 175.800 -0.093 0.000 1.124 239 F CA -0.692 57.325 58.000 0.028 0.000 1.008 239 F CB 0.653 39.655 39.000 0.002 0.000 1.139 239 F HN 0.261 nan 8.300 nan 0.000 0.452 240 Y N 5.256 125.250 120.300 -0.510 0.000 2.341 240 Y HA 0.337 4.892 4.550 0.008 0.000 0.340 240 Y C 0.150 175.845 175.900 -0.341 0.000 0.997 240 Y CA -0.824 57.098 58.100 -0.296 0.000 1.149 240 Y CB 0.801 39.130 38.460 -0.219 0.000 1.171 240 Y HN 0.420 nan 8.280 nan 0.000 0.494 241 K N 2.401 122.823 120.400 0.037 0.000 2.350 241 K HA 0.362 4.686 4.320 0.008 0.000 0.279 241 K C 1.017 177.660 176.600 0.071 0.000 1.027 241 K CA 0.151 56.519 56.287 0.135 0.000 0.969 241 K CB 1.035 33.634 32.500 0.165 0.000 0.954 241 K HN 0.854 nan 8.250 nan 0.000 0.474 242 A N 3.719 126.576 122.820 0.063 0.000 1.941 242 A HA -0.227 4.098 4.320 0.008 0.000 0.220 242 A C 0.505 178.112 177.584 0.037 0.000 1.407 242 A CA 1.578 53.636 52.037 0.036 0.000 0.766 242 A CB -0.421 18.602 19.000 0.039 0.000 0.838 242 A HN 0.779 nan 8.150 nan 0.000 0.482 243 D N 0.350 120.772 120.400 0.038 0.000 2.422 243 D HA 0.477 5.121 4.640 0.008 0.000 0.227 243 D C 0.471 176.794 176.300 0.039 0.000 1.190 243 D CA 1.444 55.462 54.000 0.030 0.000 0.905 243 D CB 0.316 41.127 40.800 0.017 0.000 1.034 243 D HN 0.778 nan 8.370 nan 0.000 0.507 244 G N 2.131 110.958 108.800 0.046 0.000 2.334 244 G HA2 -0.023 3.942 3.960 0.008 0.000 0.249 244 G HA3 -0.023 3.942 3.960 0.008 0.000 0.249 244 G C -0.440 174.493 174.900 0.056 0.000 1.327 244 G CA -0.574 44.554 45.100 0.046 0.000 0.979 244 G HN 0.314 nan 8.290 nan 0.000 0.471 245 E N -0.090 120.124 120.200 0.024 0.000 3.232 245 E HA 0.803 5.158 4.350 0.008 0.000 0.248 245 E C 0.096 176.602 176.600 -0.158 0.000 1.048 245 E CA -0.045 56.336 56.400 -0.031 0.000 1.204 245 E CB 0.526 30.206 29.700 -0.033 0.000 1.535 245 E HN 0.544 nan 8.360 nan 0.000 0.567 246 S N -1.237 114.270 115.700 -0.322 0.000 2.786 246 S HA 0.712 5.187 4.470 0.008 0.000 0.307 246 S C -0.419 174.092 174.600 -0.148 0.000 1.121 246 S CA -0.256 57.697 58.200 -0.411 0.000 0.975 246 S CB 1.007 63.672 63.200 -0.891 0.000 1.220 246 S HN 0.810 nan 8.310 nan 0.000 0.550 247 c N -0.310 118.247 118.600 -0.072 0.000 3.090 247 c HA 0.760 5.335 4.570 0.008 0.000 0.347 247 c C 0.062 174.157 174.090 0.008 0.000 1.147 247 c CA -1.187 55.132 56.329 -0.017 0.000 1.305 247 c CB 0.477 42.992 42.510 0.008 0.000 1.692 247 c HN 0.723 nan 8.230 nan 0.000 0.506 248 S N 1.205 116.904 115.700 -0.002 0.000 2.560 248 S HA 0.560 5.035 4.470 0.008 0.000 0.284 248 S C 0.200 174.810 174.600 0.017 0.000 1.327 248 S CA 0.597 58.807 58.200 0.015 0.000 1.055 248 S CB 0.140 63.345 63.200 0.007 0.000 0.868 248 S HN 2.111 nan 8.310 nan 0.000 0.506 249 A N 3.728 126.571 122.820 0.039 0.000 2.449 249 A HA 0.653 4.978 4.320 0.008 0.000 0.302 249 A C -0.444 177.160 177.584 0.034 0.000 1.048 249 A CA -0.709 51.341 52.037 0.022 0.000 0.708 249 A CB 1.695 20.715 19.000 0.034 0.000 1.274 249 A HN 0.707 nan 8.150 nan 0.000 0.410 250 S N 3.166 118.880 115.700 0.023 0.000 2.399 250 S HA 0.427 4.902 4.470 0.008 0.000 0.301 250 S C -0.113 174.502 174.600 0.024 0.000 1.093 250 S CA -0.354 57.861 58.200 0.025 0.000 1.077 250 S CB 0.016 63.229 63.200 0.021 0.000 0.980 250 S HN 0.577 nan 8.310 nan 0.000 0.494 251 M N 3.962 123.580 119.600 0.031 0.000 2.157 251 M HA 0.422 4.907 4.480 0.008 0.000 0.354 251 M C -0.133 176.161 176.300 -0.009 0.000 1.170 251 M CA -0.031 55.285 55.300 0.026 0.000 1.060 251 M CB 0.704 33.355 32.600 0.085 0.000 1.615 251 M HN 0.455 nan 8.290 nan 0.000 0.460 252 M N 2.320 121.853 119.600 -0.111 0.000 2.359 252 M HA 0.409 4.894 4.480 0.008 0.000 0.322 252 M C -1.042 175.210 176.300 -0.081 0.000 1.166 252 M CA -0.429 54.754 55.300 -0.195 0.000 1.067 252 M CB 1.325 33.523 32.600 -0.669 0.000 1.523 252 M HN 0.583 nan 8.290 nan 0.000 0.467 253 Y N 0.980 121.226 120.300 -0.090 0.000 2.470 253 Y HA 0.474 5.028 4.550 0.007 0.000 0.341 253 Y C -1.147 174.809 175.900 0.092 0.000 1.021 253 Y CA -0.495 57.538 58.100 -0.112 0.000 1.025 253 Y CB 1.653 39.992 38.460 -0.201 0.000 1.266 253 Y HN 0.706 nan 8.280 nan 0.000 0.448 254 Q N 4.198 123.752 119.800 -0.410 0.000 2.435 254 Q HA 0.358 4.703 4.340 0.008 0.000 0.282 254 Q C -2.103 173.637 176.000 -0.433 0.000 1.020 254 Q CA -0.849 54.813 55.803 -0.234 0.000 0.820 254 Q CB 2.517 31.131 28.738 -0.206 0.000 1.436 254 Q HN 0.830 nan 8.270 nan 0.000 0.395 255 E N 0.964 121.055 120.200 -0.181 0.000 2.248 255 E HA 0.786 5.140 4.350 0.008 0.000 0.267 255 E C -1.043 175.568 176.600 0.018 0.000 0.877 255 E CA -0.466 55.870 56.400 -0.108 0.000 0.759 255 E CB 1.886 31.561 29.700 -0.040 0.000 1.182 255 E HN 0.832 nan 8.360 nan 0.000 0.418 256 G N 2.622 111.478 108.800 0.094 0.000 2.317 256 G HA2 0.120 4.085 3.960 0.008 0.000 0.293 256 G HA3 0.120 4.085 3.960 0.008 0.000 0.293 256 G C -1.528 173.398 174.900 0.042 0.000 1.287 256 G CA -1.000 44.124 45.100 0.040 0.000 0.850 256 G HN 0.400 nan 8.290 nan 0.000 0.515 257 K N -0.121 120.144 120.400 -0.225 0.000 2.227 257 K HA 0.647 4.972 4.320 0.008 0.000 0.280 257 K C -1.374 174.915 176.600 -0.519 0.000 1.041 257 K CA -0.010 56.154 56.287 -0.205 0.000 0.905 257 K CB 1.027 33.422 32.500 -0.174 0.000 1.068 257 K HN 0.274 nan 8.250 nan 0.000 0.470 258 F N 0.419 120.334 119.950 -0.058 0.000 2.613 258 F HA 0.357 4.886 4.527 0.004 0.000 0.310 258 F C 0.187 176.002 175.800 0.025 0.000 1.085 258 F CA -1.104 56.873 58.000 -0.039 0.000 0.945 258 F CB 1.487 40.444 39.000 -0.073 0.000 1.298 258 F HN 0.162 nan 8.300 nan 0.000 0.455 259 R N 1.905 122.532 120.500 0.211 0.000 2.288 259 R HA 0.276 4.621 4.340 0.008 0.000 0.330 259 R C -1.342 175.087 176.300 0.216 0.000 1.069 259 R CA -0.093 56.102 56.100 0.158 0.000 0.941 259 R CB 0.402 30.765 30.300 0.105 0.000 0.998 259 R HN 0.681 nan 8.270 nan 0.000 0.452 260 Y N 1.916 122.243 120.300 0.044 0.000 2.669 260 Y HA 0.621 5.168 4.550 -0.005 0.000 0.335 260 Y C -1.290 174.601 175.900 -0.015 0.000 1.116 260 Y CA -1.408 56.695 58.100 0.006 0.000 1.081 260 Y CB 1.904 40.365 38.460 0.001 0.000 1.297 260 Y HN 0.437 nan 8.280 nan 0.000 0.484 261 R N 2.633 122.267 120.500 -1.444 0.000 4.167 261 R HA 0.259 4.604 4.340 0.008 0.000 0.253 261 R C -2.252 173.429 176.300 -1.033 0.000 1.057 261 R CA -0.581 54.894 56.100 -1.040 0.000 1.305 261 R CB 0.729 30.775 30.300 -0.424 0.000 1.245 261 R HN 0.895 nan 8.270 nan 0.000 0.550 262 R N 3.811 123.886 120.500 -0.708 0.000 2.254 262 R HA 0.648 4.992 4.340 0.008 0.000 0.318 262 R C 0.003 176.163 176.300 -0.235 0.000 1.031 262 R CA -0.298 55.603 56.100 -0.331 0.000 0.905 262 R CB 0.842 31.104 30.300 -0.063 0.000 1.050 262 R HN 0.507 nan 8.270 nan 0.000 0.456 263 V N 1.318 121.097 119.914 -0.224 0.000 4.114 263 V HA 0.764 4.888 4.120 0.008 0.000 0.293 263 V C 0.024 176.080 176.094 -0.063 0.000 1.371 263 V CA -0.669 61.548 62.300 -0.138 0.000 0.929 263 V CB 0.465 32.184 31.823 -0.175 0.000 1.281 263 V HN 0.889 nan 8.190 nan 0.000 0.468 264 A N 0.080 122.903 122.820 0.005 0.000 2.587 264 A HA 0.258 4.583 4.320 0.008 0.000 0.235 264 A C 0.832 178.425 177.584 0.014 0.000 1.044 264 A CA 1.044 53.101 52.037 0.032 0.000 0.754 264 A CB -1.199 17.852 19.000 0.085 0.000 0.968 264 A HN 1.343 nan 8.150 nan 0.000 0.509 265 E N 0.512 120.720 120.200 0.013 0.000 2.883 265 E HA -0.301 4.054 4.350 0.008 0.000 0.271 265 E C 0.940 177.535 176.600 -0.008 0.000 1.049 265 E CA 1.090 57.495 56.400 0.008 0.000 0.817 265 E CB -2.143 27.570 29.700 0.022 0.000 1.407 265 E HN 2.357 nan 8.360 nan 0.000 0.434 266 G N -0.189 108.598 108.800 -0.022 0.000 2.143 266 G HA2 -0.332 3.633 3.960 0.008 0.000 0.248 266 G HA3 -0.332 3.633 3.960 0.008 0.000 0.248 266 G C 0.261 175.128 174.900 -0.054 0.000 0.991 266 G CA 0.556 45.637 45.100 -0.031 0.000 0.689 266 G HN 0.254 nan 8.290 nan 0.000 0.522 267 T N 1.227 115.727 114.554 -0.090 0.000 2.851 267 T HA 0.467 4.821 4.350 0.008 0.000 0.298 267 T C 0.458 175.020 174.700 -0.230 0.000 0.977 267 T CA 0.217 62.226 62.100 -0.151 0.000 1.126 267 T CB 1.127 69.874 68.868 -0.202 0.000 0.916 267 T HN 0.419 nan 8.240 nan 0.000 0.529 268 Q N 1.790 121.479 119.800 -0.185 0.000 2.256 268 Q HA 0.584 4.929 4.340 0.008 0.000 0.257 268 Q C -0.993 174.853 176.000 -0.257 0.000 0.936 268 Q CA -0.784 54.915 55.803 -0.173 0.000 0.903 268 Q CB 1.956 30.719 28.738 0.042 0.000 1.263 268 Q HN 0.367 nan 8.270 nan 0.000 0.440 269 V N 3.750 123.456 119.914 -0.347 0.000 2.407 269 V HA 0.397 4.522 4.120 0.008 0.000 0.291 269 V C -1.071 174.960 176.094 -0.106 0.000 1.018 269 V CA -0.719 61.415 62.300 -0.277 0.000 0.842 269 V CB 1.521 33.106 31.823 -0.397 0.000 0.996 269 V HN 0.533 nan 8.190 nan 0.000 0.426 270 L N 4.343 125.578 121.223 0.020 0.000 2.385 270 L HA 0.665 5.009 4.340 0.008 0.000 0.273 270 L C -0.407 176.510 176.870 0.078 0.000 0.990 270 L CA -0.118 54.779 54.840 0.095 0.000 0.821 270 L CB 1.931 44.018 42.059 0.047 0.000 1.279 270 L HN 0.785 nan 8.230 nan 0.000 0.412 271 E N 5.068 125.334 120.200 0.110 0.000 2.133 271 E HA 0.482 4.836 4.350 0.008 0.000 0.274 271 E C -1.623 175.066 176.600 0.149 0.000 0.930 271 E CA -0.546 55.933 56.400 0.132 0.000 0.770 271 E CB 1.016 30.796 29.700 0.133 0.000 1.104 271 E HN 0.719 nan 8.360 nan 0.000 0.403 272 L N 7.652 128.942 121.223 0.112 0.000 2.313 272 L HA 0.438 4.783 4.340 0.008 0.000 0.273 272 L C -2.132 174.785 176.870 0.078 0.000 1.028 272 L CA -2.105 52.768 54.840 0.055 0.000 0.871 272 L CB 1.094 43.026 42.059 -0.211 0.000 1.242 272 L HN 0.425 nan 8.230 nan 0.000 0.434 273 P HA 0.197 nan 4.420 nan 0.000 0.274 273 P C -0.859 176.519 177.300 0.131 0.000 1.231 273 P CA -0.112 63.072 63.100 0.139 0.000 0.790 273 P CB 0.970 32.754 31.700 0.140 0.000 0.951 274 F N 0.451 120.601 119.950 0.333 0.000 2.411 274 F HA 0.360 4.893 4.527 0.010 0.000 0.324 274 F C 1.520 177.442 175.800 0.204 0.000 1.086 274 F CA -0.737 57.440 58.000 0.296 0.000 1.028 274 F CB 0.629 39.794 39.000 0.275 0.000 1.284 274 F HN 0.083 nan 8.300 nan 0.000 0.501 275 K N 0.826 121.449 120.400 0.372 0.000 2.491 275 K HA 0.265 4.590 4.320 0.008 0.000 0.279 275 K C 0.771 177.495 176.600 0.206 0.000 1.026 275 K CA 1.172 57.595 56.287 0.226 0.000 1.070 275 K CB -0.223 32.379 32.500 0.170 0.000 0.887 275 K HN 0.912 nan 8.250 nan 0.000 0.481 276 G N 2.952 111.846 108.800 0.158 0.000 2.339 276 G HA2 -0.284 3.680 3.960 0.008 0.000 0.209 276 G HA3 -0.284 3.680 3.960 0.008 0.000 0.209 276 G C 0.297 175.279 174.900 0.137 0.000 1.015 276 G CA 0.195 45.377 45.100 0.136 0.000 0.635 276 G HN 0.831 nan 8.290 nan 0.000 0.499 277 D N 0.262 120.768 120.400 0.177 0.000 2.837 277 D HA -0.185 4.459 4.640 0.008 0.000 0.195 277 D C 1.193 177.590 176.300 0.162 0.000 1.033 277 D CA 2.003 56.100 54.000 0.162 0.000 1.021 277 D CB -1.028 39.837 40.800 0.109 0.000 1.101 277 D HN 0.690 nan 8.370 nan 0.000 0.431 278 D N 0.492 120.989 120.400 0.162 0.000 2.277 278 D HA -0.036 4.609 4.640 0.008 0.000 0.208 278 D C 0.754 177.150 176.300 0.159 0.000 0.962 278 D CA 0.667 54.750 54.000 0.137 0.000 0.865 278 D CB 0.165 41.032 40.800 0.112 0.000 0.939 278 D HN 0.375 nan 8.370 nan 0.000 0.510 279 I N 0.915 121.623 120.570 0.230 0.000 2.447 279 I HA 0.270 4.444 4.170 0.008 0.000 0.287 279 I C -0.239 176.174 176.117 0.493 0.000 1.023 279 I CA -0.579 60.874 61.300 0.255 0.000 1.083 279 I CB 2.123 40.211 38.000 0.147 0.000 1.245 279 I HN -0.083 nan 8.210 nan 0.000 0.434 280 T N 3.178 117.981 114.554 0.414 0.000 2.907 280 T HA 0.664 5.019 4.350 0.008 0.000 0.290 280 T C -0.635 174.345 174.700 0.465 0.000 1.066 280 T CA -0.899 61.461 62.100 0.433 0.000 1.012 280 T CB 2.336 71.359 68.868 0.259 0.000 1.184 280 T HN 0.540 nan 8.240 nan 0.000 0.522 281 M N 2.599 122.431 119.600 0.386 0.000 2.181 281 M HA 0.588 5.073 4.480 0.008 0.000 0.323 281 M C -1.869 174.633 176.300 0.336 0.000 1.004 281 M CA -0.812 54.755 55.300 0.446 0.000 0.941 281 M CB 1.284 34.215 32.600 0.552 0.000 1.579 281 M HN 0.567 nan 8.290 nan 0.000 0.427 282 V N 6.615 126.750 119.914 0.369 0.000 2.394 282 V HA 0.449 4.574 4.120 0.008 0.000 0.282 282 V C -0.157 176.175 176.094 0.396 0.000 1.031 282 V CA -0.619 61.864 62.300 0.305 0.000 0.881 282 V CB 1.452 33.404 31.823 0.215 0.000 0.982 282 V HN 0.807 nan 8.190 nan 0.000 0.451 283 L N 6.102 127.488 121.223 0.270 0.000 2.322 283 L HA 0.674 5.019 4.340 0.008 0.000 0.279 283 L C -0.593 176.399 176.870 0.203 0.000 1.036 283 L CA -0.531 54.478 54.840 0.282 0.000 0.807 283 L CB 1.745 43.873 42.059 0.114 0.000 1.226 283 L HN 0.446 nan 8.230 nan 0.000 0.433 284 I N 4.190 124.913 120.570 0.256 0.000 2.534 284 I HA 0.424 4.598 4.170 0.008 0.000 0.288 284 I C -0.873 175.321 176.117 0.128 0.000 1.077 284 I CA -0.496 60.875 61.300 0.118 0.000 1.051 284 I CB 2.061 40.164 38.000 0.171 0.000 1.234 284 I HN 0.424 nan 8.210 nan 0.000 0.425 285 L N 6.019 127.254 121.223 0.019 0.000 2.436 285 L HA 0.733 5.078 4.340 0.008 0.000 0.268 285 L C -2.786 174.080 176.870 -0.005 0.000 0.974 285 L CA -1.924 52.944 54.840 0.047 0.000 0.826 285 L CB 1.889 43.960 42.059 0.020 0.000 1.291 285 L HN 0.216 nan 8.230 nan 0.000 0.406 286 P HA 0.107 nan 4.420 nan 0.000 0.273 286 P C -1.025 176.273 177.300 -0.002 0.000 1.250 286 P CA -0.491 62.614 63.100 0.010 0.000 0.793 286 P CB 0.749 32.473 31.700 0.039 0.000 1.011 287 K N 1.160 121.555 120.400 -0.008 0.000 2.355 287 K HA 0.245 4.570 4.320 0.008 0.000 0.270 287 K C -2.119 174.476 176.600 -0.008 0.000 1.003 287 K CA -1.666 54.613 56.287 -0.013 0.000 0.957 287 K CB -0.671 31.822 32.500 -0.012 0.000 0.939 287 K HN 0.308 nan 8.250 nan 0.000 0.482 288 P HA -0.090 nan 4.420 nan 0.000 0.264 288 P C -0.247 177.042 177.300 -0.017 0.000 1.193 288 P CA 0.692 63.781 63.100 -0.019 0.000 0.763 288 P CB 0.849 32.529 31.700 -0.033 0.000 0.810 289 E N -0.609 119.582 120.200 -0.014 0.000 4.201 289 E HA -0.209 4.145 4.350 0.008 0.000 0.387 289 E C -0.084 176.513 176.600 -0.004 0.000 0.566 289 E CA 0.917 57.309 56.400 -0.014 0.000 1.404 289 E CB -0.859 28.829 29.700 -0.020 0.000 1.860 289 E HN 0.352 nan 8.360 nan 0.000 0.379 290 K N 1.216 121.617 120.400 0.002 0.000 2.205 290 K HA 0.385 4.710 4.320 0.008 0.000 0.279 290 K C -0.688 175.924 176.600 0.020 0.000 1.027 290 K CA 0.166 56.459 56.287 0.010 0.000 0.932 290 K CB 1.669 34.176 32.500 0.011 0.000 1.032 290 K HN 0.059 nan 8.250 nan 0.000 0.466 291 S N 3.276 118.990 115.700 0.023 0.000 2.580 291 S HA 0.113 4.587 4.470 0.008 0.000 0.274 291 S C 0.894 175.523 174.600 0.048 0.000 1.329 291 S CA -0.596 57.623 58.200 0.031 0.000 1.036 291 S CB 0.417 63.631 63.200 0.023 0.000 0.919 291 S HN 0.622 nan 8.310 nan 0.000 0.515 292 L N 5.637 126.895 121.223 0.059 0.000 2.179 292 L HA 0.249 4.594 4.340 0.008 0.000 0.208 292 L C 2.431 179.354 176.870 0.088 0.000 1.096 292 L CA 2.165 57.055 54.840 0.084 0.000 0.779 292 L CB -1.371 40.745 42.059 0.096 0.000 0.922 292 L HN 0.876 nan 8.230 nan 0.000 0.443 293 A N -0.156 122.700 122.820 0.060 0.000 1.997 293 A HA -0.305 4.020 4.320 0.008 0.000 0.221 293 A C 2.270 179.885 177.584 0.051 0.000 1.172 293 A CA 2.253 54.317 52.037 0.046 0.000 0.645 293 A CB -0.567 18.442 19.000 0.015 0.000 0.813 293 A HN 0.569 nan 8.150 nan 0.000 0.454 294 K N -0.626 119.806 120.400 0.054 0.000 2.097 294 K HA -0.048 4.277 4.320 0.008 0.000 0.205 294 K C 1.792 178.445 176.600 0.088 0.000 1.050 294 K CA 1.387 57.707 56.287 0.056 0.000 0.938 294 K CB -0.348 32.183 32.500 0.051 0.000 0.718 294 K HN 0.351 nan 8.250 nan 0.000 0.442 295 V N 1.954 121.944 119.914 0.126 0.000 2.358 295 V HA -0.201 3.924 4.120 0.008 0.000 0.246 295 V C 1.947 178.158 176.094 0.194 0.000 1.047 295 V CA 1.700 64.119 62.300 0.199 0.000 1.035 295 V CB -0.482 31.486 31.823 0.242 0.000 0.658 295 V HN 0.308 nan 8.190 nan 0.000 0.452 296 E N 0.347 120.651 120.200 0.173 0.000 2.110 296 E HA -0.212 4.143 4.350 0.008 0.000 0.193 296 E C 2.112 178.778 176.600 0.110 0.000 0.988 296 E CA 1.038 57.551 56.400 0.189 0.000 0.804 296 E CB -0.179 29.647 29.700 0.210 0.000 0.745 296 E HN 0.570 nan 8.360 nan 0.000 0.458 297 K N 0.560 120.995 120.400 0.059 0.000 2.439 297 K HA -0.082 4.243 4.320 0.008 0.000 0.197 297 K C 1.021 177.623 176.600 0.004 0.000 1.041 297 K CA 0.730 57.022 56.287 0.009 0.000 0.970 297 K CB 0.154 32.650 32.500 -0.007 0.000 0.773 297 K HN 0.161 nan 8.250 nan 0.000 0.479 298 E N 0.360 120.576 120.200 0.027 0.000 2.583 298 E HA 0.050 4.404 4.350 0.008 0.000 0.213 298 E C -0.505 176.068 176.600 -0.045 0.000 0.989 298 E CA -0.339 56.059 56.400 -0.005 0.000 0.991 298 E CB 0.471 30.182 29.700 0.018 0.000 1.040 298 E HN -0.003 nan 8.360 nan 0.000 0.481 299 L N 1.474 122.694 121.223 -0.005 0.000 2.456 299 L HA 0.190 4.535 4.340 0.008 0.000 0.272 299 L C -0.376 176.450 176.870 -0.072 0.000 1.189 299 L CA 1.180 55.999 54.840 -0.035 0.000 0.846 299 L CB 0.771 42.882 42.059 0.088 0.000 1.111 299 L HN -0.122 nan 8.230 nan 0.000 0.475 300 T N 4.600 119.072 114.554 -0.136 0.000 2.977 300 T HA 0.237 4.592 4.350 0.008 0.000 0.345 300 T C -2.369 172.241 174.700 -0.149 0.000 1.562 300 T CA -0.353 61.675 62.100 -0.120 0.000 1.090 300 T CB 1.681 70.470 68.868 -0.132 0.000 1.383 300 T HN 0.308 nan 8.240 nan 0.000 0.484 301 P HA -0.173 nan 4.420 nan 0.000 0.216 301 P C 1.463 178.676 177.300 -0.144 0.000 1.150 301 P CA 1.193 64.224 63.100 -0.114 0.000 0.843 301 P CB 0.270 31.911 31.700 -0.098 0.000 0.787 302 E N -0.683 119.431 120.200 -0.143 0.000 2.076 302 E HA -0.071 4.284 4.350 0.008 0.000 0.190 302 E C 2.134 178.593 176.600 -0.234 0.000 0.979 302 E CA 0.952 57.266 56.400 -0.143 0.000 0.807 302 E CB -1.528 28.109 29.700 -0.104 0.000 0.761 302 E HN 0.093 nan 8.360 nan 0.000 0.454 303 V N 2.078 121.799 119.914 -0.321 0.000 2.282 303 V HA -0.270 3.855 4.120 0.008 0.000 0.249 303 V C 2.595 178.199 176.094 -0.816 0.000 1.057 303 V CA 1.929 63.891 62.300 -0.565 0.000 1.032 303 V CB -0.717 30.733 31.823 -0.621 0.000 0.645 303 V HN 0.143 nan 8.190 nan 0.000 0.447 304 L N -0.032 120.826 121.223 -0.609 0.000 2.083 304 L HA -0.191 4.153 4.340 0.008 0.000 0.209 304 L C 2.428 179.175 176.870 -0.204 0.000 1.083 304 L CA 2.214 56.797 54.840 -0.428 0.000 0.752 304 L CB -0.709 41.155 42.059 -0.325 0.000 0.899 304 L HN 0.378 nan 8.230 nan 0.000 0.433 305 Q N 0.050 119.745 119.800 -0.176 0.000 2.079 305 Q HA -0.241 4.104 4.340 0.008 0.000 0.200 305 Q C 2.159 178.132 176.000 -0.044 0.000 0.974 305 Q CA 2.068 57.828 55.803 -0.072 0.000 0.840 305 Q CB -0.295 28.415 28.738 -0.047 0.000 0.898 305 Q HN 0.682 nan 8.270 nan 0.000 0.430 306 E N -1.064 119.067 120.200 -0.114 0.000 2.033 306 E HA -0.216 4.138 4.350 0.008 0.000 0.199 306 E C 1.451 178.099 176.600 0.080 0.000 1.011 306 E CA 1.600 57.964 56.400 -0.061 0.000 0.815 306 E CB -0.279 29.327 29.700 -0.156 0.000 0.755 306 E HN 0.465 nan 8.360 nan 0.000 0.451 307 W N 0.865 122.131 121.300 -0.055 0.000 2.315 307 W HA -0.187 4.481 4.660 0.012 0.000 0.323 307 W C 2.369 178.849 176.519 -0.065 0.000 1.233 307 W CA 0.693 57.997 57.345 -0.068 0.000 1.267 307 W CB -1.321 28.088 29.460 -0.085 0.000 1.160 307 W HN 0.224 nan 8.180 nan 0.000 0.474 308 L N 0.074 121.412 121.223 0.192 0.000 2.197 308 L HA -0.252 4.093 4.340 0.008 0.000 0.215 308 L C 1.823 178.736 176.870 0.071 0.000 1.095 308 L CA 1.454 56.352 54.840 0.096 0.000 0.764 308 L CB -0.711 41.381 42.059 0.056 0.000 0.897 308 L HN -0.066 nan 8.230 nan 0.000 0.436 309 D N -0.561 119.880 120.400 0.068 0.000 2.289 309 D HA -0.091 4.553 4.640 0.008 0.000 0.207 309 D C 1.805 178.131 176.300 0.044 0.000 0.966 309 D CA 0.730 54.759 54.000 0.049 0.000 0.868 309 D CB 0.149 40.973 40.800 0.040 0.000 0.943 309 D HN 0.454 nan 8.370 nan 0.000 0.514 310 E N 0.094 120.326 120.200 0.054 0.000 2.442 310 E HA 0.088 4.443 4.350 0.008 0.000 0.195 310 E C 0.494 177.092 176.600 -0.005 0.000 1.030 310 E CA -0.135 56.282 56.400 0.029 0.000 0.869 310 E CB 0.544 30.269 29.700 0.042 0.000 0.857 310 E HN 0.231 nan 8.360 nan 0.000 0.505 311 L N 2.257 123.480 121.223 -0.001 0.000 2.485 311 L HA 0.052 4.397 4.340 0.008 0.000 0.275 311 L C 0.590 177.467 176.870 0.012 0.000 1.207 311 L CA 0.471 55.301 54.840 -0.018 0.000 0.855 311 L CB 0.231 42.297 42.059 0.011 0.000 1.114 311 L HN -0.015 nan 8.230 nan 0.000 0.485 312 E N 1.999 122.214 120.200 0.025 0.000 2.343 312 E HA 0.291 4.645 4.350 0.008 0.000 0.270 312 E C -0.940 175.707 176.600 0.079 0.000 0.895 312 E CA -0.850 55.577 56.400 0.045 0.000 0.767 312 E CB 1.917 31.640 29.700 0.038 0.000 1.248 312 E HN 0.369 nan 8.360 nan 0.000 0.440 313 E N 1.602 121.836 120.200 0.057 0.000 2.366 313 E HA 0.155 4.510 4.350 0.008 0.000 0.266 313 E C -0.247 176.394 176.600 0.068 0.000 1.015 313 E CA 0.391 56.823 56.400 0.052 0.000 0.906 313 E CB 0.747 30.455 29.700 0.014 0.000 0.979 313 E HN 0.367 nan 8.360 nan 0.000 0.443 314 M N 2.996 122.649 119.600 0.088 0.000 2.465 314 M HA 0.248 4.732 4.480 0.008 0.000 0.284 314 M C -1.323 175.006 176.300 0.048 0.000 1.212 314 M CA -0.662 54.684 55.300 0.076 0.000 0.910 314 M CB 1.844 34.525 32.600 0.135 0.000 1.725 314 M HN 0.241 nan 8.290 nan 0.000 0.477 315 M N 6.250 125.859 119.600 0.014 0.000 2.184 315 M HA 0.419 4.903 4.480 0.008 0.000 0.351 315 M C -1.082 175.201 176.300 -0.029 0.000 1.395 315 M CA -0.072 55.229 55.300 0.002 0.000 1.117 315 M CB -0.069 32.526 32.600 -0.009 0.000 1.708 315 M HN 0.640 nan 8.290 nan 0.000 0.468 316 L N 2.577 123.788 121.223 -0.021 0.000 2.479 316 L HA 0.741 5.086 4.340 0.008 0.000 0.255 316 L C -1.337 175.445 176.870 -0.146 0.000 1.026 316 L CA -0.971 53.791 54.840 -0.130 0.000 0.842 316 L CB 1.480 43.358 42.059 -0.301 0.000 1.444 316 L HN 0.222 nan 8.230 nan 0.000 0.409 317 V N 1.667 121.463 119.914 -0.197 0.000 2.394 317 V HA 0.515 4.639 4.120 0.008 0.000 0.282 317 V C 0.091 175.998 176.094 -0.311 0.000 1.031 317 V CA -0.483 61.646 62.300 -0.286 0.000 0.881 317 V CB 1.766 33.487 31.823 -0.170 0.000 0.982 317 V HN 0.525 nan 8.190 nan 0.000 0.451 318 V N 5.090 124.733 119.914 -0.451 0.000 2.409 318 V HA 0.435 4.560 4.120 0.008 0.000 0.291 318 V C -0.750 175.173 176.094 -0.286 0.000 1.020 318 V CA -0.656 61.436 62.300 -0.347 0.000 0.848 318 V CB 1.458 32.988 31.823 -0.488 0.000 0.990 318 V HN 0.912 nan 8.190 nan 0.000 0.430 319 H N 4.842 123.763 119.070 -0.249 0.000 2.476 319 H HA 0.773 5.333 4.556 0.007 0.000 0.328 319 H C -0.206 175.003 175.328 -0.198 0.000 1.073 319 H CA -0.339 55.619 56.048 -0.150 0.000 1.229 319 H CB 1.451 31.172 29.762 -0.068 0.000 1.432 319 H HN 0.642 nan 8.280 nan 0.000 0.477 320 M N 4.891 124.419 119.600 -0.120 0.000 2.322 320 M HA 0.366 4.851 4.480 0.008 0.000 0.285 320 M C -3.149 173.067 176.300 -0.139 0.000 1.119 320 M CA -1.868 53.322 55.300 -0.182 0.000 0.953 320 M CB 2.550 35.008 32.600 -0.236 0.000 1.701 320 M HN 0.342 nan 8.290 nan 0.000 0.479 321 P HA 0.197 nan 4.420 nan 0.000 0.274 321 P C -1.409 176.022 177.300 0.220 0.000 1.231 321 P CA -0.053 63.074 63.100 0.045 0.000 0.790 321 P CB 0.626 32.321 31.700 -0.009 0.000 0.951 322 R N 2.221 122.813 120.500 0.154 0.000 2.254 322 R HA 0.585 4.929 4.340 0.008 0.000 0.318 322 R C -0.031 176.420 176.300 0.253 0.000 1.031 322 R CA -0.124 56.062 56.100 0.145 0.000 0.905 322 R CB 0.177 30.503 30.300 0.043 0.000 1.050 322 R HN 0.590 nan 8.270 nan 0.000 0.456 323 F N -0.486 119.426 119.950 -0.064 0.000 2.926 323 F HA 0.556 5.088 4.527 0.008 0.000 0.321 323 F C -1.749 173.946 175.800 -0.175 0.000 1.168 323 F CA -1.531 56.399 58.000 -0.116 0.000 0.890 323 F CB 1.258 40.182 39.000 -0.127 0.000 1.357 323 F HN 0.412 nan 8.300 nan 0.000 0.468 324 R N 1.783 122.096 120.500 -0.312 0.000 2.561 324 R HA 0.807 5.152 4.340 0.008 0.000 0.266 324 R C -2.198 173.918 176.300 -0.307 0.000 1.091 324 R CA -0.796 54.969 56.100 -0.558 0.000 0.927 324 R CB 2.243 32.216 30.300 -0.544 0.000 1.240 324 R HN 1.123 nan 8.270 nan 0.000 0.449 325 I N -1.273 119.046 120.570 -0.419 0.000 2.730 325 I HA 0.619 4.794 4.170 0.008 0.000 0.298 325 I C -1.118 174.842 176.117 -0.261 0.000 1.089 325 I CA -0.978 60.184 61.300 -0.230 0.000 1.041 325 I CB 2.777 40.720 38.000 -0.095 0.000 1.235 325 I HN 0.680 nan 8.210 nan 0.000 0.423 326 E N 3.121 123.279 120.200 -0.070 0.000 2.234 326 E HA 0.442 4.797 4.350 0.008 0.000 0.266 326 E C -1.727 174.980 176.600 0.178 0.000 0.877 326 E CA -0.706 55.739 56.400 0.074 0.000 0.758 326 E CB 2.630 32.385 29.700 0.093 0.000 1.170 326 E HN 0.576 nan 8.360 nan 0.000 0.415 327 D N 1.106 121.685 120.400 0.299 0.000 2.619 327 D HA 0.628 5.273 4.640 0.008 0.000 0.241 327 D C -1.042 175.484 176.300 0.377 0.000 1.087 327 D CA -0.460 53.774 54.000 0.389 0.000 0.851 327 D CB 2.015 43.134 40.800 0.533 0.000 1.474 327 D HN 0.535 nan 8.370 nan 0.000 0.478 328 G N 1.020 110.076 108.800 0.426 0.000 2.706 328 G HA2 0.735 4.699 3.960 0.008 0.000 0.297 328 G HA3 0.735 4.699 3.960 0.008 0.000 0.297 328 G C -1.435 173.728 174.900 0.437 0.000 1.403 328 G CA -0.825 44.411 45.100 0.226 0.000 0.954 328 G HN 0.444 nan 8.290 nan 0.000 0.500 329 F N -0.980 119.144 119.950 0.291 0.000 2.878 329 F HA 0.749 5.281 4.527 0.008 0.000 0.322 329 F C -0.437 175.570 175.800 0.345 0.000 1.154 329 F CA -1.294 56.877 58.000 0.287 0.000 0.896 329 F CB 1.029 40.167 39.000 0.230 0.000 1.313 329 F HN 0.662 nan 8.300 nan 0.000 0.451 330 S N 0.466 116.462 115.700 0.492 0.000 2.586 330 S HA 0.606 5.080 4.470 0.008 0.000 0.274 330 S C 0.089 174.895 174.600 0.343 0.000 1.281 330 S CA -0.670 57.682 58.200 0.253 0.000 1.035 330 S CB 0.912 64.203 63.200 0.151 0.000 0.962 330 S HN 0.743 nan 8.310 nan 0.000 0.512 331 L N 3.424 124.783 121.223 0.226 0.000 2.638 331 L HA 0.257 4.601 4.340 0.008 0.000 0.232 331 L C 2.298 179.268 176.870 0.166 0.000 1.099 331 L CA -0.012 55.048 54.840 0.366 0.000 0.883 331 L CB -0.317 41.995 42.059 0.421 0.000 1.136 331 L HN 0.729 nan 8.230 nan 0.000 0.492 332 K N 1.399 121.778 120.400 -0.035 0.000 2.015 332 K HA -0.260 4.065 4.320 0.008 0.000 0.216 332 K C 1.774 178.131 176.600 -0.405 0.000 1.052 332 K CA 2.333 58.352 56.287 -0.447 0.000 0.937 332 K CB 0.149 32.371 32.500 -0.463 0.000 0.719 332 K HN 0.211 nan 8.250 nan 0.000 0.446 333 E N 0.752 120.832 120.200 -0.200 0.000 2.035 333 E HA -0.265 4.089 4.350 0.008 0.000 0.204 333 E C 2.149 178.662 176.600 -0.145 0.000 1.025 333 E CA 1.862 58.169 56.400 -0.154 0.000 0.835 333 E CB -0.404 29.245 29.700 -0.084 0.000 0.764 333 E HN 0.359 nan 8.360 nan 0.000 0.457 334 Q N 0.661 120.400 119.800 -0.100 0.000 2.077 334 Q HA -0.151 4.194 4.340 0.008 0.000 0.206 334 Q C 2.517 178.418 176.000 -0.165 0.000 0.989 334 Q CA 1.420 57.126 55.803 -0.162 0.000 0.853 334 Q CB -0.788 27.811 28.738 -0.233 0.000 0.907 334 Q HN 0.362 nan 8.270 nan 0.000 0.418 335 L N 0.652 121.869 121.223 -0.010 0.000 2.083 335 L HA -0.216 4.129 4.340 0.008 0.000 0.209 335 L C 2.694 179.519 176.870 -0.076 0.000 1.083 335 L CA 1.262 56.094 54.840 -0.013 0.000 0.752 335 L CB -0.484 41.631 42.059 0.092 0.000 0.899 335 L HN 0.314 nan 8.230 nan 0.000 0.433 336 Q N -0.150 119.559 119.800 -0.151 0.000 2.020 336 Q HA -0.209 4.136 4.340 0.008 0.000 0.202 336 Q C 1.734 177.675 176.000 -0.099 0.000 0.982 336 Q CA 1.500 57.239 55.803 -0.106 0.000 0.838 336 Q CB -0.232 28.399 28.738 -0.178 0.000 0.899 336 Q HN 0.475 nan 8.270 nan 0.000 0.423 337 D N 0.310 120.624 120.400 -0.143 0.000 2.265 337 D HA -0.135 4.510 4.640 0.008 0.000 0.208 337 D C 1.595 177.780 176.300 -0.191 0.000 0.977 337 D CA 1.192 55.113 54.000 -0.132 0.000 0.871 337 D CB -0.018 40.717 40.800 -0.108 0.000 0.925 337 D HN 0.338 nan 8.370 nan 0.000 0.485 338 M N -1.443 117.982 119.600 -0.293 0.000 2.509 338 M HA 0.158 4.642 4.480 0.008 0.000 0.250 338 M C 1.454 177.679 176.300 -0.125 0.000 1.132 338 M CA 0.746 55.872 55.300 -0.290 0.000 1.080 338 M CB 1.050 33.428 32.600 -0.371 0.000 1.408 338 M HN 0.155 nan 8.290 nan 0.000 0.484 339 G N -0.064 108.689 108.800 -0.077 0.000 3.211 339 G HA2 -0.085 3.880 3.960 0.008 0.000 0.202 339 G HA3 -0.085 3.880 3.960 0.008 0.000 0.202 339 G C 0.054 174.966 174.900 0.021 0.000 1.035 339 G CA -0.712 44.371 45.100 -0.028 0.000 0.846 339 G HN 0.186 nan 8.290 nan 0.000 0.464 340 L N 3.057 124.314 121.223 0.057 0.000 2.536 340 L HA 0.246 4.591 4.340 0.008 0.000 0.282 340 L C 1.567 178.609 176.870 0.286 0.000 1.174 340 L CA -0.039 54.912 54.840 0.185 0.000 0.989 340 L CB 0.756 43.006 42.059 0.319 0.000 1.311 340 L HN 0.162 nan 8.230 nan 0.000 0.455 341 V N 1.576 121.606 119.914 0.192 0.000 2.599 341 V HA -0.066 4.059 4.120 0.008 0.000 0.237 341 V C 1.633 177.858 176.094 0.218 0.000 1.081 341 V CA 0.571 62.988 62.300 0.196 0.000 1.107 341 V CB -0.095 31.784 31.823 0.093 0.000 0.808 341 V HN 0.557 nan 8.190 nan 0.000 0.486 342 D N 0.890 121.366 120.400 0.126 0.000 2.137 342 D HA -0.234 4.411 4.640 0.008 0.000 0.189 342 D C 1.947 178.295 176.300 0.081 0.000 0.998 342 D CA 1.709 55.761 54.000 0.087 0.000 0.839 342 D CB -0.594 40.235 40.800 0.048 0.000 0.962 342 D HN 0.228 nan 8.370 nan 0.000 0.446 343 L N -0.265 120.961 121.223 0.005 0.000 2.171 343 L HA -0.220 4.125 4.340 0.008 0.000 0.216 343 L C 1.562 178.313 176.870 -0.198 0.000 1.084 343 L CA 1.678 56.422 54.840 -0.160 0.000 0.771 343 L CB -0.543 41.307 42.059 -0.347 0.000 0.890 343 L HN 0.063 nan 8.230 nan 0.000 0.437 344 F N -1.986 118.050 119.950 0.143 0.000 2.727 344 F HA 0.260 4.792 4.527 0.008 0.000 0.302 344 F C 1.475 177.360 175.800 0.142 0.000 1.097 344 F CA 0.241 58.350 58.000 0.181 0.000 1.330 344 F CB -0.374 38.700 39.000 0.125 0.000 1.084 344 F HN -0.008 nan 8.300 nan 0.000 0.578 345 S N 1.784 117.608 115.700 0.207 0.000 2.439 345 S HA 0.218 4.693 4.470 0.008 0.000 0.282 345 S C -1.717 172.820 174.600 -0.104 0.000 1.170 345 S CA -1.483 56.740 58.200 0.037 0.000 1.054 345 S CB 0.903 64.128 63.200 0.043 0.000 0.956 345 S HN -0.123 nan 8.310 nan 0.000 0.490 346 P HA -0.023 nan 4.420 nan 0.000 0.226 346 P C 0.391 177.568 177.300 -0.205 0.000 1.146 346 P CA 0.885 63.595 63.100 -0.650 0.000 0.773 346 P CB 0.258 31.461 31.700 -0.829 0.000 0.772 347 E N -0.820 119.308 120.200 -0.120 0.000 2.132 347 E HA 0.033 4.388 4.350 0.008 0.000 0.193 347 E C 1.577 178.169 176.600 -0.013 0.000 0.951 347 E CA 0.950 57.319 56.400 -0.052 0.000 0.843 347 E CB -0.364 29.310 29.700 -0.043 0.000 0.807 347 E HN 0.189 nan 8.360 nan 0.000 0.467 348 K N 0.478 120.878 120.400 -0.001 0.000 2.356 348 K HA 0.216 4.541 4.320 0.008 0.000 0.195 348 K C 0.707 177.326 176.600 0.030 0.000 1.037 348 K CA 0.025 56.322 56.287 0.018 0.000 1.014 348 K CB 0.460 32.974 32.500 0.024 0.000 0.815 348 K HN -0.100 nan 8.250 nan 0.000 0.507 349 S N 1.839 117.567 115.700 0.046 0.000 2.552 349 S HA -0.001 4.474 4.470 0.008 0.000 0.289 349 S C -0.204 174.420 174.600 0.039 0.000 1.304 349 S CA 0.117 58.351 58.200 0.057 0.000 1.063 349 S CB 0.264 63.538 63.200 0.122 0.000 0.848 349 S HN 0.033 nan 8.310 nan 0.000 0.499 350 K N 5.646 126.056 120.400 0.018 0.000 2.592 350 K HA 0.310 4.635 4.320 0.008 0.000 0.212 350 K C -1.114 175.478 176.600 -0.013 0.000 1.013 350 K CA -0.123 56.169 56.287 0.007 0.000 1.034 350 K CB 0.884 33.392 32.500 0.012 0.000 1.292 350 K HN 0.585 nan 8.250 nan 0.000 0.521 351 L N 3.954 125.159 121.223 -0.029 0.000 2.784 351 L HA 0.234 4.579 4.340 0.008 0.000 0.241 351 L C -1.235 175.586 176.870 -0.082 0.000 1.352 351 L CA -1.190 53.608 54.840 -0.070 0.000 0.911 351 L CB 1.015 43.015 42.059 -0.098 0.000 1.227 351 L HN 0.146 nan 8.230 nan 0.000 0.501 352 P HA -0.094 nan 4.420 nan 0.000 0.219 352 P C 1.319 178.575 177.300 -0.073 0.000 1.150 352 P CA 0.929 63.998 63.100 -0.052 0.000 0.814 352 P CB 0.378 32.063 31.700 -0.026 0.000 0.787 353 G N -0.577 108.168 108.800 -0.092 0.000 3.061 353 G HA2 0.026 3.991 3.960 0.008 0.000 0.208 353 G HA3 0.026 3.991 3.960 0.008 0.000 0.208 353 G C 1.299 176.073 174.900 -0.211 0.000 1.175 353 G CA -0.043 44.999 45.100 -0.096 0.000 0.812 353 G HN 0.249 nan 8.290 nan 0.000 0.523 354 I N -0.408 119.985 120.570 -0.296 0.000 2.834 354 I HA 0.073 4.248 4.170 0.008 0.000 0.239 354 I C 0.571 176.682 176.117 -0.010 0.000 1.073 354 I CA 0.322 61.368 61.300 -0.423 0.000 1.459 354 I CB 0.041 37.775 38.000 -0.444 0.000 1.288 354 I HN -0.194 nan 8.210 nan 0.000 0.455 355 V N 1.776 121.661 119.914 -0.048 0.000 2.432 355 V HA 0.291 4.415 4.120 0.008 0.000 0.275 355 V C 0.939 176.976 176.094 -0.094 0.000 1.043 355 V CA 0.039 62.261 62.300 -0.131 0.000 0.925 355 V CB 1.153 32.845 31.823 -0.219 0.000 0.985 355 V HN 0.368 nan 8.190 nan 0.000 0.466 356 A N 4.269 127.038 122.820 -0.085 0.000 1.903 356 A HA 0.191 4.515 4.320 0.008 0.000 0.213 356 A C 0.731 178.273 177.584 -0.069 0.000 1.185 356 A CA 0.641 52.648 52.037 -0.051 0.000 0.628 356 A CB 0.107 19.093 19.000 -0.022 0.000 0.830 356 A HN 0.803 nan 8.150 nan 0.000 0.446 357 E N -3.057 117.080 120.200 -0.104 0.000 2.291 357 E HA 0.478 4.833 4.350 0.008 0.000 0.276 357 E C -0.007 176.514 176.600 -0.132 0.000 0.896 357 E CA 0.021 56.364 56.400 -0.094 0.000 0.774 357 E CB 1.858 31.517 29.700 -0.068 0.000 1.227 357 E HN 0.432 nan 8.360 nan 0.000 0.413 358 G N 2.400 111.135 108.800 -0.108 0.000 3.288 358 G HA2 -0.125 3.840 3.960 0.008 0.000 0.195 358 G HA3 -0.125 3.840 3.960 0.008 0.000 0.195 358 G C 0.078 174.925 174.900 -0.088 0.000 1.093 358 G CA -0.365 44.667 45.100 -0.113 0.000 0.852 358 G HN 0.344 nan 8.290 nan 0.000 0.453 359 R N -0.645 119.799 120.500 -0.094 0.000 2.795 359 R HA 0.730 5.075 4.340 0.008 0.000 0.268 359 R C -1.009 175.261 176.300 -0.050 0.000 1.041 359 R CA -0.171 55.894 56.100 -0.059 0.000 0.927 359 R CB 1.449 31.714 30.300 -0.058 0.000 1.235 359 R HN 0.014 nan 8.270 nan 0.000 0.463 360 D N -1.256 119.130 120.400 -0.024 0.000 2.319 360 D HA 0.066 4.711 4.640 0.008 0.000 0.406 360 D C -0.984 175.320 176.300 0.006 0.000 1.087 360 D CA 0.163 54.153 54.000 -0.017 0.000 0.945 360 D CB 0.782 41.573 40.800 -0.015 0.000 1.430 360 D HN 0.396 nan 8.370 nan 0.000 0.487 361 D N 1.800 122.218 120.400 0.030 0.000 2.622 361 D HA 0.196 4.840 4.640 0.008 0.000 0.262 361 D C -0.109 176.267 176.300 0.125 0.000 1.189 361 D CA -0.254 53.790 54.000 0.074 0.000 0.985 361 D CB 0.913 41.762 40.800 0.082 0.000 0.994 361 D HN 0.038 nan 8.370 nan 0.000 0.513 362 L N 2.201 123.464 121.223 0.067 0.000 2.292 362 L HA 0.318 4.663 4.340 0.008 0.000 0.284 362 L C -0.296 176.622 176.870 0.080 0.000 1.065 362 L CA -0.639 54.210 54.840 0.014 0.000 0.806 362 L CB 0.149 42.176 42.059 -0.053 0.000 1.175 362 L HN 0.194 nan 8.230 nan 0.000 0.431 363 Y N 0.848 121.124 120.300 -0.040 0.000 2.609 363 Y HA 0.741 5.296 4.550 0.008 0.000 0.336 363 Y C -1.129 174.738 175.900 -0.056 0.000 1.129 363 Y CA -1.614 56.458 58.100 -0.047 0.000 1.040 363 Y CB 0.889 39.343 38.460 -0.009 0.000 1.310 363 Y HN 0.091 nan 8.280 nan 0.000 0.460 364 V N 3.133 122.975 119.914 -0.121 0.000 2.432 364 V HA 0.161 4.286 4.120 0.008 0.000 0.271 364 V C 0.927 177.076 176.094 0.091 0.000 1.046 364 V CA 0.547 62.741 62.300 -0.178 0.000 0.945 364 V CB 0.820 32.475 31.823 -0.280 0.000 0.992 364 V HN 1.042 nan 8.190 nan 0.000 0.471 365 S N 2.626 118.307 115.700 -0.033 0.000 2.395 365 S HA 0.044 4.519 4.470 0.008 0.000 0.225 365 S C 0.491 175.240 174.600 0.247 0.000 1.027 365 S CA 0.541 58.873 58.200 0.220 0.000 0.965 365 S CB 0.195 63.453 63.200 0.098 0.000 0.812 365 S HN 0.782 nan 8.310 nan 0.000 0.482 366 D N -0.855 119.629 120.400 0.140 0.000 2.692 366 D HA 0.652 5.297 4.640 0.008 0.000 0.290 366 D C -2.041 174.182 176.300 -0.129 0.000 1.281 366 D CA -0.096 53.899 54.000 -0.009 0.000 0.804 366 D CB 1.900 42.567 40.800 -0.222 0.000 1.331 366 D HN 0.388 nan 8.370 nan 0.000 0.432 367 A N 1.035 123.625 122.820 -0.384 0.000 2.465 367 A HA 0.659 4.984 4.320 0.008 0.000 0.292 367 A C -1.705 175.596 177.584 -0.472 0.000 1.041 367 A CA -0.543 51.362 52.037 -0.220 0.000 0.718 367 A CB 0.555 19.716 19.000 0.268 0.000 1.266 367 A HN 0.266 nan 8.150 nan 0.000 0.403 368 F N 0.585 120.618 119.950 0.138 0.000 2.556 368 F HA 0.760 5.292 4.527 0.008 0.000 0.327 368 F C 0.286 176.127 175.800 0.068 0.000 1.059 368 F CA -0.404 57.651 58.000 0.091 0.000 0.953 368 F CB 2.055 41.079 39.000 0.040 0.000 1.227 368 F HN 0.772 nan 8.300 nan 0.000 0.478 369 H N 0.847 119.897 119.070 -0.032 0.000 2.851 369 H HA 0.604 5.165 4.556 0.008 0.000 0.372 369 H C -1.589 173.566 175.328 -0.289 0.000 1.158 369 H CA -0.998 54.935 56.048 -0.192 0.000 1.159 369 H CB 1.971 31.530 29.762 -0.339 0.000 1.757 369 H HN 0.621 nan 8.280 nan 0.000 0.546 370 K N 2.838 122.855 120.400 -0.639 0.000 2.565 370 K HA 0.735 5.060 4.320 0.008 0.000 0.251 370 K C -1.944 174.527 176.600 -0.215 0.000 0.956 370 K CA -0.628 55.493 56.287 -0.276 0.000 0.809 370 K CB 1.707 34.152 32.500 -0.092 0.000 1.267 370 K HN 0.663 nan 8.250 nan 0.000 0.438 371 A N 2.867 125.754 122.820 0.111 0.000 2.413 371 A HA 0.829 5.154 4.320 0.008 0.000 0.307 371 A C -1.885 176.024 177.584 0.542 0.000 1.087 371 A CA -0.602 51.659 52.037 0.372 0.000 0.750 371 A CB 0.991 20.285 19.000 0.490 0.000 1.296 371 A HN 0.593 nan 8.150 nan 0.000 0.423 372 F N 1.500 121.684 119.950 0.390 0.000 2.561 372 F HA 0.713 5.245 4.527 0.008 0.000 0.313 372 F C -1.794 174.009 175.800 0.004 0.000 1.126 372 F CA -1.211 56.889 58.000 0.167 0.000 0.918 372 F CB 1.921 40.964 39.000 0.073 0.000 1.199 372 F HN 0.541 nan 8.300 nan 0.000 0.444 373 L N 5.442 126.206 121.223 -0.765 0.000 2.438 373 L HA 0.605 4.950 4.340 0.008 0.000 0.270 373 L C -1.586 174.678 176.870 -1.010 0.000 0.972 373 L CA -0.208 54.098 54.840 -0.890 0.000 0.831 373 L CB 1.921 43.034 42.059 -1.577 0.000 1.273 373 L HN 0.771 nan 8.230 nan 0.000 0.405 374 E N 3.587 123.390 120.200 -0.661 0.000 2.256 374 E HA 0.727 5.082 4.350 0.008 0.000 0.268 374 E C -1.980 174.337 176.600 -0.471 0.000 0.877 374 E CA -0.710 55.322 56.400 -0.613 0.000 0.757 374 E CB 2.130 31.677 29.700 -0.256 0.000 1.183 374 E HN 0.487 nan 8.360 nan 0.000 0.418 375 V N 4.791 124.338 119.914 -0.613 0.000 2.531 375 V HA 0.490 4.615 4.120 0.008 0.000 0.301 375 V C -0.495 175.567 176.094 -0.053 0.000 1.034 375 V CA -0.731 61.424 62.300 -0.242 0.000 0.865 375 V CB 1.448 33.178 31.823 -0.157 0.000 0.995 375 V HN 0.858 nan 8.190 nan 0.000 0.424 376 N N 2.641 121.417 118.700 0.128 0.000 3.387 376 N HA 0.390 5.135 4.740 0.008 0.000 0.322 376 N C 0.399 176.135 175.510 0.377 0.000 1.588 376 N CA -0.815 52.327 53.050 0.154 0.000 0.778 376 N CB 0.883 39.415 38.487 0.076 0.000 1.883 376 N HN 0.234 nan 8.380 nan 0.000 0.628 377 E N -0.310 120.071 120.200 0.302 0.000 2.106 377 E HA -0.071 4.284 4.350 0.008 0.000 0.192 377 E C 0.898 177.868 176.600 0.616 0.000 0.984 377 E CA 1.382 58.080 56.400 0.496 0.000 0.806 377 E CB -0.106 29.781 29.700 0.312 0.000 0.750 377 E HN 0.603 nan 8.360 nan 0.000 0.458 378 E N -0.587 119.821 120.200 0.347 0.000 2.107 378 E HA 0.114 4.469 4.350 0.008 0.000 0.191 378 E C 0.994 177.652 176.600 0.098 0.000 0.982 378 E CA 1.083 57.621 56.400 0.231 0.000 0.809 378 E CB 0.120 29.880 29.700 0.100 0.000 0.756 378 E HN 0.267 nan 8.360 nan 0.000 0.459 379 G N -1.449 107.257 108.800 -0.156 0.000 2.566 379 G HA2 0.290 4.255 3.960 0.008 0.000 0.138 379 G HA3 0.290 4.255 3.960 0.008 0.000 0.138 379 G C -1.069 173.451 174.900 -0.633 0.000 1.133 379 G CA -0.063 44.463 45.100 -0.957 0.000 1.037 379 G HN 0.063 nan 8.290 nan 0.000 0.491 380 S N -0.636 114.813 115.700 -0.418 0.000 2.588 380 S HA 0.696 5.170 4.470 0.008 0.000 0.275 380 S C -1.791 172.633 174.600 -0.294 0.000 1.130 380 S CA -0.375 57.709 58.200 -0.194 0.000 0.855 380 S CB 2.013 65.280 63.200 0.111 0.000 1.116 380 S HN 0.665 nan 8.310 nan 0.000 0.472 381 E N 1.059 121.142 120.200 -0.194 0.000 2.260 381 E HA 0.655 5.010 4.350 0.008 0.000 0.266 381 E C -1.541 175.004 176.600 -0.091 0.000 0.887 381 E CA -0.621 55.639 56.400 -0.233 0.000 0.777 381 E CB 1.726 31.362 29.700 -0.106 0.000 1.205 381 E HN 0.722 nan 8.360 nan 0.000 0.414 382 A N 2.421 125.128 122.820 -0.188 0.000 2.449 382 A HA 0.934 5.259 4.320 0.008 0.000 0.302 382 A C -1.462 176.012 177.584 -0.183 0.000 1.048 382 A CA -0.176 51.705 52.037 -0.259 0.000 0.708 382 A CB 1.875 20.298 19.000 -0.961 0.000 1.274 382 A HN 0.580 nan 8.150 nan 0.000 0.410 383 A N 0.228 123.143 122.820 0.159 0.000 2.572 383 A HA 1.021 5.345 4.320 0.008 0.000 0.295 383 A C -0.430 177.448 177.584 0.491 0.000 1.072 383 A CA 0.068 52.313 52.037 0.346 0.000 0.691 383 A CB 1.344 20.457 19.000 0.188 0.000 1.291 383 A HN 2.667 nan 8.150 nan 0.000 0.404 384 A N -0.046 123.011 122.820 0.396 0.000 2.588 384 A HA 0.993 5.318 4.320 0.008 0.000 0.290 384 A C -0.482 177.140 177.584 0.062 0.000 1.136 384 A CA 0.030 52.188 52.037 0.203 0.000 0.681 384 A CB 1.213 20.387 19.000 0.290 0.000 1.282 384 A HN 2.361 nan 8.150 nan 0.000 0.421 385 S N -1.154 114.477 115.700 -0.115 0.000 2.558 385 S HA 0.712 5.187 4.470 0.008 0.000 0.277 385 S C -1.416 173.182 174.600 -0.004 0.000 1.143 385 S CA -0.020 58.173 58.200 -0.012 0.000 0.865 385 S CB 1.597 64.806 63.200 0.015 0.000 1.102 385 S HN 1.235 nan 8.310 nan 0.000 0.454 386 T N 2.752 117.383 114.554 0.129 0.000 2.881 386 T HA 0.789 5.143 4.350 0.008 0.000 0.290 386 T C -0.845 173.908 174.700 0.089 0.000 1.000 386 T CA -0.436 61.771 62.100 0.178 0.000 0.978 386 T CB 1.532 70.528 68.868 0.214 0.000 0.997 386 T HN 1.019 nan 8.240 nan 0.000 0.443 387 A N 2.721 125.606 122.820 0.107 0.000 2.332 387 A HA 0.713 5.037 4.320 0.008 0.000 0.300 387 A C -0.560 177.044 177.584 0.034 0.000 1.153 387 A CA -0.630 51.454 52.037 0.078 0.000 0.764 387 A CB 0.893 19.974 19.000 0.136 0.000 1.174 387 A HN 0.679 nan 8.150 nan 0.000 0.467 388 V N 3.834 123.685 119.914 -0.104 0.000 2.348 388 V HA 0.257 4.382 4.120 0.008 0.000 0.270 388 V C -0.020 176.009 176.094 -0.107 0.000 1.037 388 V CA -0.385 61.804 62.300 -0.185 0.000 0.872 388 V CB 1.171 32.736 31.823 -0.430 0.000 1.002 388 V HN 0.607 nan 8.190 nan 0.000 0.464 389 V N 6.588 126.471 119.914 -0.051 0.000 2.406 389 V HA 0.381 4.506 4.120 0.008 0.000 0.272 389 V C 0.168 176.168 176.094 -0.155 0.000 1.043 389 V CA -0.460 61.798 62.300 -0.070 0.000 0.915 389 V CB 1.391 33.239 31.823 0.041 0.000 0.988 389 V HN 0.548 nan 8.190 nan 0.000 0.466 390 I N 4.108 124.550 120.570 -0.214 0.000 2.365 390 I HA 0.398 4.572 4.170 0.008 0.000 0.291 390 I C 1.094 176.989 176.117 -0.371 0.000 1.004 390 I CA -0.151 60.969 61.300 -0.299 0.000 1.311 390 I CB 0.681 38.553 38.000 -0.214 0.000 1.401 390 I HN 0.913 nan 8.210 nan 0.000 0.491 391 A N 4.408 126.841 122.820 -0.646 0.000 2.798 391 A HA -0.143 4.181 4.320 0.008 0.000 0.282 391 A C 1.000 178.447 177.584 -0.230 0.000 1.464 391 A CA 1.054 52.753 52.037 -0.563 0.000 0.844 391 A CB -2.071 16.755 19.000 -0.289 0.000 1.006 391 A HN 1.005 nan 8.150 nan 0.000 0.577 392 G N -1.168 107.520 108.800 -0.186 0.000 2.531 392 G HA2 0.524 4.488 3.960 0.008 0.000 0.281 392 G HA3 0.524 4.488 3.960 0.008 0.000 0.281 392 G C 0.045 174.972 174.900 0.046 0.000 1.382 392 G CA -0.191 44.866 45.100 -0.072 0.000 1.045 392 G HN 0.968 nan 8.290 nan 0.000 0.533 393 R N -0.366 120.177 120.500 0.071 0.000 2.221 393 R HA 0.403 4.748 4.340 0.008 0.000 0.327 393 R C -0.007 176.383 176.300 0.150 0.000 1.033 393 R CA -0.224 55.941 56.100 0.110 0.000 0.887 393 R CB 0.808 31.158 30.300 0.082 0.000 1.057 393 R HN 0.360 nan 8.270 nan 0.000 0.455 394 S N 5.729 121.528 115.700 0.165 0.000 2.457 394 S HA 0.127 4.602 4.470 0.008 0.000 0.294 394 S C 0.243 174.939 174.600 0.161 0.000 1.201 394 S CA -0.527 57.777 58.200 0.173 0.000 1.112 394 S CB -0.074 63.219 63.200 0.155 0.000 1.018 394 S HN 0.536 nan 8.310 nan 0.000 0.511 395 L N 5.204 126.560 121.223 0.221 0.000 2.371 395 L HA 0.293 4.638 4.340 0.008 0.000 0.272 395 L C 1.118 178.092 176.870 0.173 0.000 1.124 395 L CA -0.646 54.312 54.840 0.197 0.000 0.816 395 L CB 0.560 42.764 42.059 0.241 0.000 1.129 395 L HN 0.643 nan 8.230 nan 0.000 0.448 396 N N 3.368 122.143 118.700 0.125 0.000 2.518 396 N HA 0.121 4.866 4.740 0.008 0.000 0.266 396 N C -2.355 173.231 175.510 0.126 0.000 1.196 396 N CA -1.063 52.048 53.050 0.101 0.000 0.947 396 N CB 0.986 39.516 38.487 0.072 0.000 1.098 396 N HN 0.252 nan 8.380 nan 0.000 0.450 397 P HA -0.034 nan 4.420 nan 0.000 0.258 397 P C -0.255 177.125 177.300 0.132 0.000 1.172 397 P CA 0.445 63.627 63.100 0.136 0.000 0.762 397 P CB 0.196 31.953 31.700 0.094 0.000 0.764 398 N N 3.302 122.103 118.700 0.168 0.000 2.267 398 N HA 0.378 5.123 4.740 0.008 0.000 0.266 398 N C 0.107 175.697 175.510 0.133 0.000 1.295 398 N CA -0.599 52.536 53.050 0.142 0.000 0.914 398 N CB 0.319 38.901 38.487 0.158 0.000 1.083 398 N HN 0.444 nan 8.380 nan 0.000 0.507 399 R N -2.332 118.244 120.500 0.127 0.000 3.681 399 R HA 0.287 4.632 4.340 0.008 0.000 0.252 399 R C -2.450 173.926 176.300 0.126 0.000 1.000 399 R CA -0.715 55.456 56.100 0.117 0.000 1.056 399 R CB 0.218 30.564 30.300 0.076 0.000 1.243 399 R HN 0.266 nan 8.270 nan 0.000 0.549 400 V N 1.887 121.893 119.914 0.153 0.000 2.629 400 V HA 0.265 4.389 4.120 0.008 0.000 0.263 400 V C -0.515 175.733 176.094 0.258 0.000 0.959 400 V CA -0.529 61.909 62.300 0.230 0.000 0.869 400 V CB 1.706 33.691 31.823 0.270 0.000 1.060 400 V HN 0.852 nan 8.190 nan 0.000 0.474 401 T N 4.282 118.889 114.554 0.089 0.000 2.806 401 T HA 0.628 4.983 4.350 0.008 0.000 0.290 401 T C -0.191 174.405 174.700 -0.173 0.000 0.966 401 T CA 0.192 62.304 62.100 0.019 0.000 1.060 401 T CB 0.713 69.541 68.868 -0.066 0.000 0.927 401 T HN 0.412 nan 8.240 nan 0.000 0.485 402 F N 1.704 121.665 119.950 0.018 0.000 2.548 402 F HA 0.212 4.744 4.527 0.007 0.000 0.379 402 F C 0.638 176.451 175.800 0.021 0.000 1.380 402 F CA -1.149 56.861 58.000 0.018 0.000 1.095 402 F CB 0.382 39.390 39.000 0.015 0.000 1.270 402 F HN 0.457 nan 8.300 nan 0.000 0.509 403 K N 0.299 120.771 120.400 0.120 0.000 2.572 403 K HA 0.148 4.473 4.320 0.008 0.000 0.273 403 K C 0.337 177.012 176.600 0.125 0.000 0.990 403 K CA 0.812 57.156 56.287 0.094 0.000 1.097 403 K CB 0.569 33.098 32.500 0.047 0.000 0.819 403 K HN 0.245 nan 8.250 nan 0.000 0.482 404 A N 3.360 126.260 122.820 0.133 0.000 2.899 404 A HA 0.389 4.714 4.320 0.008 0.000 0.209 404 A C -0.156 177.562 177.584 0.224 0.000 2.128 404 A CA 0.302 52.468 52.037 0.215 0.000 1.768 404 A CB 0.452 19.573 19.000 0.202 0.000 1.238 404 A HN 0.972 nan 8.150 nan 0.000 0.375 405 N N -2.607 116.269 118.700 0.293 0.000 3.533 405 N HA 0.237 4.981 4.740 0.008 0.000 0.229 405 N C -1.544 174.103 175.510 0.229 0.000 1.418 405 N CA -0.814 52.350 53.050 0.190 0.000 0.880 405 N CB 0.763 39.284 38.487 0.057 0.000 1.415 405 N HN 0.425 nan 8.380 nan 0.000 0.491 406 R N -0.264 120.308 120.500 0.120 0.000 2.747 406 R HA -0.139 4.206 4.340 0.008 0.000 0.236 406 R C -2.383 174.036 176.300 0.197 0.000 0.819 406 R CA 0.320 56.498 56.100 0.131 0.000 0.575 406 R CB -1.495 28.863 30.300 0.096 0.000 1.219 406 R HN 0.320 nan 8.270 nan 0.000 0.518 407 P HA 0.226 nan 4.420 nan 0.000 0.282 407 P C -0.568 176.822 177.300 0.151 0.000 1.259 407 P CA -0.410 62.727 63.100 0.062 0.000 0.826 407 P CB 0.767 32.463 31.700 -0.008 0.000 1.064 408 F N -0.360 119.604 119.950 0.023 0.000 2.561 408 F HA 0.608 5.141 4.527 0.010 0.000 0.321 408 F C -0.553 175.278 175.800 0.052 0.000 1.065 408 F CA -1.646 56.375 58.000 0.035 0.000 0.934 408 F CB 0.568 39.578 39.000 0.016 0.000 1.215 408 F HN 0.022 nan 8.300 nan 0.000 0.471 409 L N 2.356 123.722 121.223 0.238 0.000 2.439 409 L HA 0.736 5.081 4.340 0.008 0.000 0.261 409 L C -0.483 176.515 176.870 0.213 0.000 1.153 409 L CA -1.098 53.805 54.840 0.105 0.000 0.808 409 L CB 1.377 43.522 42.059 0.143 0.000 1.126 409 L HN 0.568 nan 8.230 nan 0.000 0.460 410 V N 0.982 120.898 119.914 0.003 0.000 2.841 410 V HA 0.530 4.655 4.120 0.008 0.000 0.310 410 V C -1.026 175.058 176.094 -0.017 0.000 1.090 410 V CA -0.629 61.796 62.300 0.210 0.000 0.930 410 V CB 2.042 34.050 31.823 0.309 0.000 1.014 410 V HN 0.409 nan 8.190 nan 0.000 0.425 411 F N 3.103 123.224 119.950 0.284 0.000 2.569 411 F HA 0.675 5.206 4.527 0.008 0.000 0.312 411 F C -0.267 175.709 175.800 0.292 0.000 1.109 411 F CA -0.660 57.490 58.000 0.249 0.000 0.919 411 F CB 2.023 41.130 39.000 0.179 0.000 1.211 411 F HN 0.215 nan 8.300 nan 0.000 0.446 412 I N 4.253 125.098 120.570 0.459 0.000 2.437 412 I HA 0.435 4.610 4.170 0.008 0.000 0.279 412 I C -0.501 175.763 176.117 0.245 0.000 1.028 412 I CA -0.556 60.956 61.300 0.352 0.000 1.142 412 I CB 1.180 39.345 38.000 0.275 0.000 1.266 412 I HN 0.657 nan 8.210 nan 0.000 0.461 413 R N 4.355 124.988 120.500 0.221 0.000 2.873 413 R HA 0.589 4.934 4.340 0.008 0.000 0.264 413 R C -0.719 175.645 176.300 0.106 0.000 1.026 413 R CA -0.831 55.357 56.100 0.146 0.000 1.002 413 R CB 2.113 32.502 30.300 0.147 0.000 1.174 413 R HN 0.254 nan 8.270 nan 0.000 0.488 414 E N 2.115 122.357 120.200 0.071 0.000 2.092 414 E HA 0.121 4.476 4.350 0.008 0.000 0.271 414 E C 0.637 177.284 176.600 0.078 0.000 0.919 414 E CA -0.432 56.007 56.400 0.064 0.000 0.760 414 E CB 1.892 31.606 29.700 0.022 0.000 1.106 414 E HN 0.597 nan 8.360 nan 0.000 0.408 415 V N 6.509 126.481 119.914 0.096 0.000 2.261 415 V HA -0.180 3.944 4.120 0.008 0.000 0.246 415 V C -0.869 175.279 176.094 0.090 0.000 1.047 415 V CA 1.688 64.044 62.300 0.095 0.000 1.015 415 V CB -1.344 30.539 31.823 0.100 0.000 0.642 415 V HN 0.571 nan 8.190 nan 0.000 0.446 416 P HA -0.110 nan 4.420 nan 0.000 0.218 416 P C 1.537 178.893 177.300 0.095 0.000 1.148 416 P CA 1.395 64.541 63.100 0.076 0.000 0.822 416 P CB -0.053 31.683 31.700 0.061 0.000 0.784 417 L N -2.523 118.750 121.223 0.083 0.000 2.607 417 L HA 0.199 4.544 4.340 0.008 0.000 0.228 417 L C 0.437 177.361 176.870 0.090 0.000 1.123 417 L CA -0.054 54.838 54.840 0.087 0.000 0.890 417 L CB -0.987 41.092 42.059 0.033 0.000 1.103 417 L HN 0.003 nan 8.230 nan 0.000 0.468 418 N N 0.719 119.477 118.700 0.096 0.000 2.727 418 N HA -0.173 4.571 4.740 0.008 0.000 0.249 418 N C -0.613 174.901 175.510 0.006 0.000 1.048 418 N CA 0.888 53.978 53.050 0.067 0.000 0.714 418 N CB -0.811 37.736 38.487 0.099 0.000 0.959 418 N HN 0.181 nan 8.380 nan 0.000 0.544 419 T N 1.171 115.738 114.554 0.021 0.000 2.792 419 T HA 0.449 4.804 4.350 0.008 0.000 0.280 419 T C 0.524 175.251 174.700 0.045 0.000 0.990 419 T CA -0.543 61.565 62.100 0.014 0.000 0.960 419 T CB 0.897 69.765 68.868 -0.000 0.000 0.939 419 T HN 0.186 nan 8.240 nan 0.000 0.439 420 I N 4.765 125.374 120.570 0.064 0.000 2.294 420 I HA 0.193 4.368 4.170 0.008 0.000 0.295 420 I C 1.268 177.420 176.117 0.059 0.000 1.098 420 I CA -0.134 61.236 61.300 0.118 0.000 1.277 420 I CB 0.373 38.474 38.000 0.170 0.000 1.434 420 I HN 0.702 nan 8.210 nan 0.000 0.498 421 I N 5.348 125.935 120.570 0.027 0.000 2.233 421 I HA -0.063 4.112 4.170 0.008 0.000 0.243 421 I C 0.232 176.116 176.117 -0.388 0.000 1.093 421 I CA 1.357 62.567 61.300 -0.151 0.000 1.380 421 I CB 0.027 37.964 38.000 -0.105 0.000 1.067 421 I HN 0.304 nan 8.210 nan 0.000 0.413 422 F N 0.404 120.372 119.950 0.031 0.000 2.588 422 F HA 0.583 5.115 4.527 0.007 0.000 0.310 422 F C -0.123 175.644 175.800 -0.055 0.000 1.082 422 F CA -0.910 57.044 58.000 -0.077 0.000 0.929 422 F CB 1.883 40.855 39.000 -0.048 0.000 1.254 422 F HN -0.200 nan 8.300 nan 0.000 0.455 423 M N 1.361 120.946 119.600 -0.026 0.000 2.520 423 M HA 0.980 5.465 4.480 0.008 0.000 0.280 423 M C -1.000 175.222 176.300 -0.130 0.000 1.232 423 M CA -0.400 54.789 55.300 -0.184 0.000 0.892 423 M CB 2.706 35.118 32.600 -0.313 0.000 1.728 423 M HN 0.774 nan 8.290 nan 0.000 0.475 424 G N 1.143 109.839 108.800 -0.175 0.000 2.320 424 G HA2 0.429 4.393 3.960 0.008 0.000 0.296 424 G HA3 0.429 4.393 3.960 0.008 0.000 0.296 424 G C -2.422 172.489 174.900 0.018 0.000 1.306 424 G CA -1.033 44.139 45.100 0.120 0.000 0.836 424 G HN 0.914 nan 8.290 nan 0.000 0.517 425 R N 0.392 120.965 120.500 0.122 0.000 2.435 425 R HA 0.563 4.908 4.340 0.008 0.000 0.308 425 R C -1.236 174.970 176.300 -0.157 0.000 0.975 425 R CA -0.434 55.658 56.100 -0.013 0.000 0.867 425 R CB 1.630 31.995 30.300 0.107 0.000 1.171 425 R HN 0.356 nan 8.270 nan 0.000 0.470 426 V N 4.767 124.383 119.914 -0.495 0.000 2.408 426 V HA 0.303 4.428 4.120 0.008 0.000 0.267 426 V C 0.782 176.507 176.094 -0.615 0.000 1.047 426 V CA 0.367 62.252 62.300 -0.691 0.000 0.937 426 V CB 1.017 32.057 31.823 -1.305 0.000 0.999 426 V HN 0.975 nan 8.190 nan 0.000 0.472 427 A N 4.383 127.009 122.820 -0.323 0.000 2.066 427 A HA 0.236 4.561 4.320 0.008 0.000 0.198 427 A C 0.947 178.430 177.584 -0.167 0.000 1.405 427 A CA 0.004 51.950 52.037 -0.153 0.000 0.973 427 A CB 0.065 19.043 19.000 -0.037 0.000 1.026 427 A HN 0.707 nan 8.150 nan 0.000 0.474 428 N N 1.030 119.582 118.700 -0.247 0.000 2.816 428 N HA 0.365 5.110 4.740 0.008 0.000 0.236 428 N C -2.610 172.644 175.510 -0.427 0.000 1.076 428 N CA -1.522 51.329 53.050 -0.332 0.000 0.902 428 N CB 1.151 39.545 38.487 -0.156 0.000 1.149 428 N HN -0.045 nan 8.380 nan 0.000 0.506 429 P HA 0.196 nan 4.420 nan 0.000 0.255 429 P C 0.077 177.164 177.300 -0.355 0.000 1.427 429 P CA -0.022 62.780 63.100 -0.497 0.000 0.863 429 P CB 0.117 31.510 31.700 -0.512 0.000 1.444 430 c N -1.384 117.006 118.600 -0.350 0.000 2.611 430 c HA 0.124 4.699 4.570 0.008 0.000 0.282 430 c C 1.266 175.288 174.090 -0.113 0.000 1.321 430 c CA 0.225 56.429 56.329 -0.207 0.000 1.747 430 c CB -0.857 41.540 42.510 -0.189 0.000 2.124 430 c HN 0.306 nan 8.230 nan 0.000 0.531 431 V N 0.000 119.848 119.914 -0.111 0.000 2.409 431 V HA 0.000 4.125 4.120 0.008 0.000 0.244 431 V CA 0.000 62.247 62.300 -0.088 0.000 1.235 431 V CB 0.000 31.791 31.823 -0.054 0.000 1.184 431 V HN 0.000 nan 8.190 nan 0.000 0.556