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 2v5x_1_B DATA FIRST_RESID 14 DATA SEQUENCE LVPVYIYSPE YVSMCDSLAK IPKRADMVHS LIEAYALHKQ MRIVKPKVAS DATA SEQUENCE MEEMATFHTD AYLQHLQKVS QEGXXXXXXX IEYGLGYDCP ATEGIFDYAA DATA SEQUENCE AIGGATITAA QCLIDGMCKV AINWSGGWHH AKKDEASGFC YLNDAVLGIL DATA SEQUENCE RLRRKFERIL YVDLDLHHGD GVEDAFSFTS KVMTVSLHKF SPGFFPGTGD DATA SEQUENCE VSDVGLGKGR YYSVNVPIQD GIQDEKYYQI CESVLKEVYQ AFNPKAVVLQ DATA SEQUENCE LGADTIAGDP MCSFNMTPVG IGKCLKYILQ WQLATLILGG GGYNLANTAR DATA SEQUENCE CWTYLTGVIL GKTLSSEIPD HEFFTAYGPD YVLEITPSCR PDRNEPHRIQ DATA SEQUENCE QILNYIKGNL KHV 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 14 L HA 0.000 nan 4.340 nan 0.000 0.249 14 L C 0.000 176.870 176.870 0.000 0.000 1.165 14 L CA 0.000 54.842 54.840 0.002 0.000 0.813 14 L CB 0.000 42.062 42.059 0.004 0.000 0.961 15 V N 2.263 122.179 119.914 0.003 0.000 2.811 15 V HA 0.698 4.818 4.120 0.000 0.000 0.302 15 V C -2.081 174.016 176.094 0.006 0.000 1.063 15 V CA -1.113 61.189 62.300 0.002 0.000 1.088 15 V CB 0.174 32.002 31.823 0.008 0.000 0.982 15 V HN 0.637 nan 8.190 nan 0.000 0.485 16 P HA 0.280 nan 4.420 nan 0.000 0.271 16 P C -0.507 176.812 177.300 0.032 0.000 1.216 16 P CA -0.185 62.916 63.100 0.002 0.000 0.776 16 P CB 0.760 32.453 31.700 -0.012 0.000 0.881 17 V N 4.008 123.938 119.914 0.027 0.000 2.498 17 V HA 0.113 4.233 4.120 0.000 0.000 0.279 17 V C -0.344 175.808 176.094 0.098 0.000 1.048 17 V CA -0.083 62.250 62.300 0.055 0.000 0.967 17 V CB 0.049 31.883 31.823 0.017 0.000 0.988 17 V HN 0.459 nan 8.190 nan 0.000 0.473 18 Y N 5.694 125.994 120.300 0.001 0.000 2.388 18 Y HA 0.490 5.040 4.550 0.000 0.000 0.328 18 Y C 0.047 175.984 175.900 0.062 0.000 0.963 18 Y CA -1.195 56.918 58.100 0.022 0.000 1.240 18 Y CB 0.933 39.450 38.460 0.095 0.000 1.118 18 Y HN 0.442 nan 8.280 nan 0.000 0.484 19 I N 7.922 128.333 120.570 -0.265 0.000 2.421 19 I HA 0.028 4.198 4.170 0.000 0.000 0.291 19 I C -0.739 175.178 176.117 -0.333 0.000 1.089 19 I CA 0.199 61.339 61.300 -0.268 0.000 1.354 19 I CB -0.866 36.978 38.000 -0.260 0.000 1.413 19 I HN 0.640 nan 8.210 nan 0.000 0.513 20 Y N 6.209 126.301 120.300 -0.347 0.000 2.480 20 Y HA 0.526 5.076 4.550 0.000 0.000 0.329 20 Y C -0.820 175.018 175.900 -0.103 0.000 1.127 20 Y CA -0.941 57.003 58.100 -0.259 0.000 1.037 20 Y CB 1.687 39.905 38.460 -0.404 0.000 1.320 20 Y HN 0.607 nan 8.280 nan 0.000 0.446 21 S N 4.573 119.684 115.700 -0.982 0.000 2.579 21 S HA 0.585 5.055 4.470 0.000 0.000 0.272 21 S C -2.920 171.098 174.600 -0.970 0.000 1.141 21 S CA -1.491 56.075 58.200 -1.057 0.000 0.843 21 S CB 2.433 65.395 63.200 -0.396 0.000 1.122 21 S HN 0.349 nan 8.310 nan 0.000 0.468 22 P HA -0.009 nan 4.420 nan 0.000 0.217 22 P C 0.828 178.090 177.300 -0.064 0.000 1.150 22 P CA 1.284 64.293 63.100 -0.151 0.000 0.832 22 P CB 0.028 31.720 31.700 -0.013 0.000 0.787 23 E N -1.775 118.382 120.200 -0.073 0.000 2.107 23 E HA -0.177 4.173 4.350 0.000 0.000 0.191 23 E C 1.962 178.586 176.600 0.040 0.000 0.982 23 E CA 0.834 57.230 56.400 -0.006 0.000 0.809 23 E CB -0.996 28.698 29.700 -0.010 0.000 0.756 23 E HN 0.368 nan 8.360 nan 0.000 0.459 24 Y N 0.421 120.641 120.300 -0.132 0.000 2.145 24 Y HA -0.266 4.284 4.550 0.000 0.000 0.286 24 Y C 2.087 177.968 175.900 -0.032 0.000 1.145 24 Y CA 0.987 59.026 58.100 -0.103 0.000 1.148 24 Y CB 0.014 38.380 38.460 -0.158 0.000 0.981 24 Y HN -0.124 nan 8.280 nan 0.000 0.507 25 V N -0.352 119.507 119.914 -0.092 0.000 2.343 25 V HA -0.310 3.811 4.120 0.000 0.000 0.247 25 V C 2.312 178.403 176.094 -0.004 0.000 1.051 25 V CA 2.141 64.401 62.300 -0.067 0.000 1.036 25 V CB -0.705 31.191 31.823 0.120 0.000 0.654 25 V HN 0.440 nan 8.190 nan 0.000 0.451 26 S N -0.643 115.079 115.700 0.036 0.000 2.370 26 S HA -0.252 4.219 4.470 0.000 0.000 0.226 26 S C 1.926 176.561 174.600 0.059 0.000 1.033 26 S CA 1.958 60.195 58.200 0.062 0.000 1.011 26 S CB -0.367 62.870 63.200 0.062 0.000 0.852 26 S HN 0.464 nan 8.310 nan 0.000 0.457 27 M N 0.673 120.297 119.600 0.040 0.000 2.067 27 M HA -0.154 4.326 4.480 0.000 0.000 0.260 27 M C 2.283 178.669 176.300 0.143 0.000 1.069 27 M CA 1.414 56.765 55.300 0.084 0.000 1.117 27 M CB -0.518 32.122 32.600 0.068 0.000 1.334 27 M HN 0.377 nan 8.290 nan 0.000 0.407 28 C N 0.526 119.806 119.300 -0.034 0.000 2.411 28 C HA -0.160 4.300 4.460 0.000 0.000 0.279 28 C C 2.023 177.156 174.990 0.237 0.000 1.288 28 C CA 0.752 59.786 59.018 0.026 0.000 1.764 28 C CB -1.280 26.320 27.740 -0.234 0.000 1.974 28 C HN 0.545 nan 8.230 nan 0.000 0.498 29 D N 0.831 121.312 120.400 0.134 0.000 2.309 29 D HA -0.073 4.568 4.640 0.000 0.000 0.212 29 D C 2.143 178.508 176.300 0.108 0.000 0.968 29 D CA 0.937 55.012 54.000 0.124 0.000 0.882 29 D CB -0.290 40.573 40.800 0.105 0.000 0.918 29 D HN 0.422 nan 8.370 nan 0.000 0.503 30 S N 0.231 116.003 115.700 0.120 0.000 2.474 30 S HA -0.080 4.390 4.470 0.000 0.000 0.235 30 S C 0.848 175.372 174.600 -0.127 0.000 0.997 30 S CA -0.199 58.008 58.200 0.012 0.000 0.949 30 S CB -0.006 63.200 63.200 0.011 0.000 0.766 30 S HN 0.215 nan 8.310 nan 0.000 0.517 31 L N 2.314 123.454 121.223 -0.139 0.000 2.433 31 L HA 0.367 4.707 4.340 0.000 0.000 0.275 31 L C 1.155 177.937 176.870 -0.147 0.000 1.128 31 L CA -0.380 54.278 54.840 -0.303 0.000 0.875 31 L CB -0.024 41.917 42.059 -0.196 0.000 1.171 31 L HN 0.064 nan 8.230 nan 0.000 0.463 32 A N 4.870 127.579 122.820 -0.185 0.000 1.986 32 A HA -0.166 4.154 4.320 0.000 0.000 0.220 32 A C 1.920 179.419 177.584 -0.141 0.000 1.171 32 A CA 1.557 53.509 52.037 -0.142 0.000 0.640 32 A CB -0.467 18.440 19.000 -0.154 0.000 0.811 32 A HN 0.787 nan 8.150 nan 0.000 0.451 33 K N -0.440 119.838 120.400 -0.203 0.000 2.365 33 K HA 0.057 4.377 4.320 0.000 0.000 0.199 33 K C 0.774 177.393 176.600 0.032 0.000 1.045 33 K CA 0.994 57.149 56.287 -0.220 0.000 0.962 33 K CB -0.361 31.822 32.500 -0.529 0.000 0.759 33 K HN 0.833 nan 8.250 nan 0.000 0.469 34 I N -1.994 118.615 120.570 0.064 0.000 2.914 34 I HA 0.298 4.468 4.170 0.000 0.000 0.303 34 I C -2.920 173.244 176.117 0.077 0.000 1.553 34 I CA -2.211 59.161 61.300 0.122 0.000 0.799 34 I CB 1.609 39.739 38.000 0.217 0.000 2.056 34 I HN -0.326 nan 8.210 nan 0.000 0.613 35 P HA 0.185 nan 4.420 nan 0.000 0.271 35 P C -0.053 177.270 177.300 0.037 0.000 1.233 35 P CA 0.227 63.347 63.100 0.034 0.000 0.764 35 P CB 0.616 32.327 31.700 0.017 0.000 0.825 36 K N 1.000 121.434 120.400 0.056 0.000 3.407 36 K HA -0.276 4.045 4.320 0.000 0.000 0.312 36 K C 1.377 177.950 176.600 -0.046 0.000 1.302 36 K CA 0.712 57.025 56.287 0.042 0.000 0.931 36 K CB -1.057 31.494 32.500 0.084 0.000 1.257 36 K HN 0.420 nan 8.250 nan 0.000 0.454 37 R N 1.073 121.570 120.500 -0.004 0.000 2.092 37 R HA -0.075 4.266 4.340 0.000 0.000 0.231 37 R C 2.262 178.578 176.300 0.027 0.000 1.119 37 R CA 1.533 57.616 56.100 -0.029 0.000 0.970 37 R CB -0.112 30.200 30.300 0.020 0.000 0.864 37 R HN 0.371 nan 8.270 nan 0.000 0.440 38 A N 1.009 123.888 122.820 0.098 0.000 1.877 38 A HA -0.219 4.101 4.320 0.000 0.000 0.216 38 A C 1.847 179.526 177.584 0.158 0.000 1.186 38 A CA 1.877 54.000 52.037 0.144 0.000 0.620 38 A CB -0.710 18.344 19.000 0.090 0.000 0.822 38 A HN 0.413 nan 8.150 nan 0.000 0.443 39 D N -0.443 120.030 120.400 0.121 0.000 2.123 39 D HA -0.156 4.484 4.640 0.000 0.000 0.196 39 D C 2.039 178.376 176.300 0.061 0.000 0.992 39 D CA 1.612 55.727 54.000 0.192 0.000 0.833 39 D CB -0.271 40.686 40.800 0.262 0.000 0.954 39 D HN 0.473 nan 8.370 nan 0.000 0.455 40 M N -0.551 118.866 119.600 -0.305 0.000 2.117 40 M HA -0.153 4.327 4.480 0.000 0.000 0.262 40 M C 2.331 178.622 176.300 -0.015 0.000 1.065 40 M CA 0.868 55.905 55.300 -0.439 0.000 1.114 40 M CB -0.148 32.121 32.600 -0.552 0.000 1.361 40 M HN -0.049 nan 8.290 nan 0.000 0.408 41 V N -0.491 119.453 119.914 0.049 0.000 2.261 41 V HA -0.295 3.825 4.120 0.000 0.000 0.246 41 V C 2.332 178.547 176.094 0.201 0.000 1.047 41 V CA 2.441 64.818 62.300 0.128 0.000 1.015 41 V CB -0.951 31.012 31.823 0.235 0.000 0.642 41 V HN 0.495 nan 8.190 nan 0.000 0.446 42 H N -0.062 119.120 119.070 0.187 0.000 2.353 42 H HA -0.132 4.424 4.556 0.000 0.000 0.300 42 H C 2.498 177.883 175.328 0.094 0.000 1.090 42 H CA 1.959 58.118 56.048 0.185 0.000 1.327 42 H CB -0.246 29.617 29.762 0.169 0.000 1.383 42 H HN 0.369 nan 8.280 nan 0.000 0.508 43 S N -0.938 114.783 115.700 0.035 0.000 2.402 43 S HA -0.092 4.378 4.470 0.000 0.000 0.229 43 S C 2.053 176.641 174.600 -0.019 0.000 1.021 43 S CA 1.043 59.282 58.200 0.064 0.000 0.974 43 S CB -0.406 63.076 63.200 0.471 0.000 0.800 43 S HN 0.416 nan 8.310 nan 0.000 0.484 44 L N 1.191 122.403 121.223 -0.018 0.000 2.131 44 L HA 0.307 4.647 4.340 0.000 0.000 0.206 44 L C 1.993 178.850 176.870 -0.022 0.000 1.087 44 L CA 1.363 56.119 54.840 -0.141 0.000 0.767 44 L CB -0.522 41.526 42.059 -0.019 0.000 0.917 44 L HN 0.351 nan 8.230 nan 0.000 0.441 45 I N -0.319 120.237 120.570 -0.023 0.000 2.208 45 I HA -0.312 3.858 4.170 0.000 0.000 0.245 45 I C 2.500 178.594 176.117 -0.038 0.000 1.097 45 I CA 1.700 62.991 61.300 -0.015 0.000 1.363 45 I CB -0.240 37.744 38.000 -0.026 0.000 1.051 45 I HN 0.432 nan 8.210 nan 0.000 0.413 46 E N 1.234 121.292 120.200 -0.237 0.000 2.077 46 E HA -0.236 4.114 4.350 0.000 0.000 0.193 46 E C 2.227 178.805 176.600 -0.037 0.000 0.989 46 E CA 1.254 57.511 56.400 -0.238 0.000 0.800 46 E CB -0.053 29.299 29.700 -0.580 0.000 0.746 46 E HN 0.480 nan 8.360 nan 0.000 0.452 47 A N -0.258 122.489 122.820 -0.122 0.000 2.070 47 A HA -0.139 4.181 4.320 0.000 0.000 0.220 47 A C 1.409 178.866 177.584 -0.212 0.000 1.159 47 A CA 0.970 52.897 52.037 -0.185 0.000 0.656 47 A CB -0.526 18.231 19.000 -0.406 0.000 0.800 47 A HN 0.442 nan 8.150 nan 0.000 0.453 48 Y N -1.668 118.573 120.300 -0.097 0.000 2.466 48 Y HA 0.367 4.917 4.550 0.000 0.000 0.272 48 Y C 1.576 177.449 175.900 -0.045 0.000 1.169 48 Y CA 0.232 58.291 58.100 -0.069 0.000 1.285 48 Y CB 0.134 38.550 38.460 -0.073 0.000 1.078 48 Y HN 0.471 nan 8.280 nan 0.000 0.523 49 A N -0.278 122.608 122.820 0.110 0.000 2.905 49 A HA -0.251 4.069 4.320 0.000 0.000 0.260 49 A C 1.088 178.639 177.584 -0.054 0.000 1.398 49 A CA 1.167 53.219 52.037 0.024 0.000 0.840 49 A CB -2.212 16.765 19.000 -0.039 0.000 1.059 49 A HN 0.524 nan 8.150 nan 0.000 0.647 50 L N -1.236 120.006 121.223 0.033 0.000 2.313 50 L HA -0.054 4.286 4.340 0.000 0.000 0.214 50 L C 2.253 179.066 176.870 -0.095 0.000 1.119 50 L CA 1.392 56.206 54.840 -0.044 0.000 0.809 50 L CB -0.671 41.363 42.059 -0.042 0.000 0.933 50 L HN 0.883 nan 8.230 nan 0.000 0.449 51 H N -0.618 118.347 119.070 -0.174 0.000 2.421 51 H HA -0.110 4.446 4.556 0.000 0.000 0.298 51 H C 1.987 177.292 175.328 -0.038 0.000 1.087 51 H CA 0.985 56.937 56.048 -0.161 0.000 1.330 51 H CB -0.242 29.460 29.762 -0.099 0.000 1.388 51 H HN 0.177 nan 8.280 nan 0.000 0.526 52 K N 0.458 120.559 120.400 -0.498 0.000 2.148 52 K HA -0.091 4.229 4.320 0.000 0.000 0.204 52 K C 1.753 178.275 176.600 -0.130 0.000 1.050 52 K CA 1.370 57.478 56.287 -0.300 0.000 0.942 52 K CB 0.075 32.384 32.500 -0.318 0.000 0.724 52 K HN 0.540 nan 8.250 nan 0.000 0.446 53 Q N -0.173 119.560 119.800 -0.112 0.000 2.415 53 Q HA 0.127 4.467 4.340 0.000 0.000 0.206 53 Q C 0.102 176.081 176.000 -0.035 0.000 0.946 53 Q CA 0.306 56.072 55.803 -0.063 0.000 0.951 53 Q CB 0.224 28.925 28.738 -0.061 0.000 1.026 53 Q HN 0.251 nan 8.270 nan 0.000 0.510 54 M N -0.167 119.422 119.600 -0.017 0.000 2.619 54 M HA 0.376 4.856 4.480 0.000 0.000 0.297 54 M C -0.677 175.670 176.300 0.079 0.000 1.229 54 M CA -0.757 54.560 55.300 0.028 0.000 0.860 54 M CB 2.810 35.424 32.600 0.023 0.000 1.741 54 M HN -0.136 nan 8.290 nan 0.000 0.462 55 R N 2.228 122.785 120.500 0.094 0.000 2.205 55 R HA 0.490 4.830 4.340 0.000 0.000 0.342 55 R C -1.172 175.225 176.300 0.162 0.000 1.058 55 R CA -0.276 55.887 56.100 0.105 0.000 0.904 55 R CB 0.162 30.503 30.300 0.068 0.000 1.089 55 R HN 0.638 nan 8.270 nan 0.000 0.471 56 I N 4.695 125.386 120.570 0.202 0.000 2.496 56 I HA 0.098 4.268 4.170 0.000 0.000 0.285 56 I C -0.224 175.979 176.117 0.143 0.000 1.080 56 I CA -0.280 61.176 61.300 0.260 0.000 1.404 56 I CB 1.397 39.605 38.000 0.347 0.000 1.403 56 I HN 0.234 nan 8.210 nan 0.000 0.539 57 V N 6.731 126.697 119.914 0.087 0.000 2.525 57 V HA 0.233 4.353 4.120 0.000 0.000 0.299 57 V C -0.023 176.038 176.094 -0.054 0.000 1.034 57 V CA -1.109 61.197 62.300 0.011 0.000 0.863 57 V CB 1.712 33.529 31.823 -0.011 0.000 0.999 57 V HN 0.624 nan 8.190 nan 0.000 0.423 58 K N 6.045 126.404 120.400 -0.067 0.000 2.451 58 K HA 0.218 4.538 4.320 0.000 0.000 0.280 58 K C -2.294 174.207 176.600 -0.166 0.000 1.020 58 K CA -1.038 55.172 56.287 -0.129 0.000 1.008 58 K CB 0.607 33.047 32.500 -0.099 0.000 0.917 58 K HN 0.423 nan 8.250 nan 0.000 0.478 59 P HA 0.027 nan 4.420 nan 0.000 0.275 59 P C -0.839 176.335 177.300 -0.209 0.000 1.227 59 P CA -0.252 62.666 63.100 -0.304 0.000 0.781 59 P CB 0.792 32.133 31.700 -0.599 0.000 0.906 60 K N 2.423 122.731 120.400 -0.152 0.000 2.154 60 K HA 0.263 4.583 4.320 0.000 0.000 0.264 60 K C -0.681 175.855 176.600 -0.106 0.000 1.008 60 K CA -0.656 55.570 56.287 -0.102 0.000 0.937 60 K CB 0.620 33.081 32.500 -0.066 0.000 1.002 60 K HN 0.163 nan 8.250 nan 0.000 0.469 61 V N 2.182 122.054 119.914 -0.071 0.000 2.649 61 V HA 0.260 4.380 4.120 0.000 0.000 0.292 61 V C 0.351 176.418 176.094 -0.044 0.000 1.055 61 V CA -0.537 61.728 62.300 -0.060 0.000 1.023 61 V CB 0.976 32.776 31.823 -0.038 0.000 0.992 61 V HN 0.936 nan 8.190 nan 0.000 0.480 62 A N 4.021 126.812 122.820 -0.048 0.000 2.401 62 A HA 0.567 4.887 4.320 0.000 0.000 0.259 62 A C 0.653 178.233 177.584 -0.007 0.000 1.103 62 A CA -0.037 51.986 52.037 -0.022 0.000 0.789 62 A CB 0.257 19.249 19.000 -0.013 0.000 1.035 62 A HN 1.102 nan 8.150 nan 0.000 0.491 63 S N 2.455 118.169 115.700 0.023 0.000 2.645 63 S HA 0.289 4.759 4.470 0.000 0.000 0.266 63 S C 1.088 175.734 174.600 0.077 0.000 1.258 63 S CA 0.054 58.283 58.200 0.049 0.000 0.990 63 S CB 0.453 63.681 63.200 0.046 0.000 0.967 63 S HN 0.688 nan 8.310 nan 0.000 0.556 64 M N 1.570 121.235 119.600 0.108 0.000 2.149 64 M HA -0.122 4.358 4.480 0.000 0.000 0.261 64 M C 2.136 178.503 176.300 0.111 0.000 1.064 64 M CA 1.834 57.216 55.300 0.136 0.000 1.102 64 M CB -0.886 31.791 32.600 0.129 0.000 1.369 64 M HN 0.886 nan 8.290 nan 0.000 0.408 65 E N -1.000 119.252 120.200 0.086 0.000 2.107 65 E HA -0.200 4.150 4.350 0.000 0.000 0.191 65 E C 1.736 178.388 176.600 0.087 0.000 0.982 65 E CA 1.433 57.880 56.400 0.078 0.000 0.809 65 E CB -0.803 28.932 29.700 0.058 0.000 0.756 65 E HN 0.634 nan 8.360 nan 0.000 0.459 66 E N 0.634 120.884 120.200 0.083 0.000 2.106 66 E HA -0.057 4.293 4.350 0.000 0.000 0.192 66 E C 2.215 178.893 176.600 0.129 0.000 0.984 66 E CA 1.256 57.710 56.400 0.090 0.000 0.806 66 E CB -0.122 29.618 29.700 0.067 0.000 0.750 66 E HN 0.264 nan 8.360 nan 0.000 0.458 67 M N -0.060 119.627 119.600 0.145 0.000 2.319 67 M HA -0.034 4.446 4.480 0.000 0.000 0.265 67 M C 2.200 178.656 176.300 0.259 0.000 1.068 67 M CA 0.908 56.340 55.300 0.220 0.000 1.118 67 M CB 0.082 32.794 32.600 0.186 0.000 1.395 67 M HN 0.071 nan 8.290 nan 0.000 0.435 68 A N -0.651 122.281 122.820 0.186 0.000 2.206 68 A HA -0.028 4.292 4.320 0.000 0.000 0.211 68 A C 2.037 179.697 177.584 0.127 0.000 1.158 68 A CA 1.060 53.191 52.037 0.157 0.000 0.761 68 A CB -0.782 18.290 19.000 0.119 0.000 0.801 68 A HN 0.344 nan 8.150 nan 0.000 0.473 69 T N -1.283 113.356 114.554 0.142 0.000 2.833 69 T HA -0.084 4.266 4.350 0.000 0.000 0.269 69 T C 1.296 176.103 174.700 0.177 0.000 1.054 69 T CA 1.851 64.033 62.100 0.136 0.000 1.135 69 T CB -0.276 68.672 68.868 0.134 0.000 0.869 69 T HN 0.584 nan 8.240 nan 0.000 0.466 70 F N 0.020 119.953 119.950 -0.028 0.000 2.537 70 F HA 0.329 4.856 4.527 0.000 0.000 0.275 70 F C 0.812 176.495 175.800 -0.197 0.000 0.947 70 F CA -0.364 57.534 58.000 -0.171 0.000 1.238 70 F CB 0.124 38.944 39.000 -0.300 0.000 1.071 70 F HN 0.045 nan 8.300 nan 0.000 0.749 71 H N 1.628 120.634 119.070 -0.108 0.000 2.582 71 H HA 0.242 4.798 4.556 0.000 0.000 0.345 71 H C 0.439 175.748 175.328 -0.031 0.000 1.104 71 H CA 0.506 56.451 56.048 -0.171 0.000 1.390 71 H CB 0.889 30.713 29.762 0.103 0.000 1.461 71 H HN 0.130 nan 8.280 nan 0.000 0.551 72 T N -0.446 114.164 114.554 0.093 0.000 2.900 72 T HA -0.031 4.319 4.350 0.000 0.000 0.307 72 T C 1.025 175.824 174.700 0.165 0.000 1.065 72 T CA -0.516 61.650 62.100 0.109 0.000 1.105 72 T CB 0.790 69.725 68.868 0.113 0.000 0.979 72 T HN 0.434 nan 8.240 nan 0.000 0.544 73 D N 1.534 122.002 120.400 0.112 0.000 2.117 73 D HA -0.029 4.611 4.640 0.000 0.000 0.197 73 D C 2.319 178.661 176.300 0.069 0.000 0.987 73 D CA 1.787 55.840 54.000 0.088 0.000 0.829 73 D CB -0.386 40.450 40.800 0.061 0.000 0.961 73 D HN 0.764 nan 8.370 nan 0.000 0.460 74 A N -0.319 122.557 122.820 0.093 0.000 1.933 74 A HA -0.224 4.096 4.320 0.000 0.000 0.218 74 A C 2.072 179.626 177.584 -0.050 0.000 1.175 74 A CA 1.313 53.395 52.037 0.076 0.000 0.628 74 A CB -1.053 18.058 19.000 0.184 0.000 0.814 74 A HN 0.432 nan 8.150 nan 0.000 0.444 75 Y N 0.582 120.821 120.300 -0.102 0.000 2.114 75 Y HA -0.165 4.385 4.550 0.000 0.000 0.284 75 Y C 1.944 177.736 175.900 -0.180 0.000 1.143 75 Y CA 1.942 59.872 58.100 -0.283 0.000 1.135 75 Y CB -0.389 38.072 38.460 0.001 0.000 0.980 75 Y HN 0.212 nan 8.280 nan 0.000 0.499 76 L N -0.244 120.916 121.223 -0.106 0.000 2.201 76 L HA -0.229 4.111 4.340 0.000 0.000 0.212 76 L C 2.410 179.172 176.870 -0.181 0.000 1.105 76 L CA 1.443 56.225 54.840 -0.095 0.000 0.775 76 L CB -0.532 41.606 42.059 0.133 0.000 0.913 76 L HN 0.294 nan 8.230 nan 0.000 0.440 77 Q N -1.326 118.369 119.800 -0.174 0.000 2.137 77 Q HA -0.194 4.146 4.340 0.000 0.000 0.198 77 Q C 2.173 178.046 176.000 -0.212 0.000 0.960 77 Q CA 1.027 56.713 55.803 -0.195 0.000 0.847 77 Q CB -0.033 28.641 28.738 -0.106 0.000 0.915 77 Q HN 0.414 nan 8.270 nan 0.000 0.448 78 H N 0.819 119.666 119.070 -0.371 0.000 2.321 78 H HA -0.084 4.472 4.556 0.000 0.000 0.300 78 H C 1.798 176.904 175.328 -0.370 0.000 1.087 78 H CA 1.350 57.172 56.048 -0.377 0.000 1.319 78 H CB -0.343 29.083 29.762 -0.560 0.000 1.379 78 H HN 0.159 nan 8.280 nan 0.000 0.501 79 L N 0.165 121.045 121.223 -0.572 0.000 2.012 79 L HA -0.238 4.102 4.340 0.000 0.000 0.210 79 L C 2.549 179.198 176.870 -0.370 0.000 1.073 79 L CA 2.169 56.707 54.840 -0.504 0.000 0.748 79 L CB -0.522 41.270 42.059 -0.446 0.000 0.891 79 L HN 0.462 nan 8.230 nan 0.000 0.431 80 Q N 0.152 119.597 119.800 -0.592 0.000 2.061 80 Q HA -0.309 4.032 4.340 0.000 0.000 0.204 80 Q C 2.252 177.975 176.000 -0.462 0.000 0.984 80 Q CA 2.296 57.527 55.803 -0.954 0.000 0.846 80 Q CB -0.071 27.870 28.738 -1.329 0.000 0.902 80 Q HN 0.372 nan 8.270 nan 0.000 0.421 81 K N -0.508 119.694 120.400 -0.330 0.000 2.026 81 K HA -0.134 4.186 4.320 0.000 0.000 0.208 81 K C 1.930 178.437 176.600 -0.155 0.000 1.048 81 K CA 1.519 57.696 56.287 -0.185 0.000 0.929 81 K CB -0.199 32.254 32.500 -0.078 0.000 0.713 81 K HN 0.171 nan 8.250 nan 0.000 0.439 82 V N 0.708 120.500 119.914 -0.202 0.000 2.667 82 V HA -0.155 3.965 4.120 0.000 0.000 0.252 82 V C 2.251 178.246 176.094 -0.166 0.000 1.065 82 V CA 1.823 64.012 62.300 -0.184 0.000 1.083 82 V CB 0.048 31.666 31.823 -0.341 0.000 0.692 82 V HN 0.487 nan 8.190 nan 0.000 0.468 83 S N -0.538 115.053 115.700 -0.182 0.000 2.399 83 S HA -0.219 4.251 4.470 0.000 0.000 0.231 83 S C 1.876 176.418 174.600 -0.096 0.000 1.022 83 S CA 1.774 59.898 58.200 -0.126 0.000 0.983 83 S CB -0.051 63.114 63.200 -0.058 0.000 0.803 83 S HN 0.793 nan 8.310 nan 0.000 0.480 84 Q N -0.130 119.607 119.800 -0.106 0.000 2.250 84 Q HA 0.044 4.384 4.340 0.000 0.000 0.200 84 Q C 1.471 177.433 176.000 -0.063 0.000 0.941 84 Q CA 1.032 56.788 55.803 -0.078 0.000 0.872 84 Q CB 0.012 28.698 28.738 -0.087 0.000 0.965 84 Q HN 0.838 nan 8.270 nan 0.000 0.480 85 E N -0.329 119.832 120.200 -0.065 0.000 2.676 85 E HA 0.343 4.693 4.350 0.000 0.000 0.225 85 E C 0.534 177.110 176.600 -0.040 0.000 0.944 85 E CA 0.096 56.468 56.400 -0.047 0.000 1.156 85 E CB 0.837 30.513 29.700 -0.040 0.000 1.117 85 E HN 0.161 nan 8.360 nan 0.000 0.523 95 E N 2.498 122.770 120.200 0.120 0.000 2.373 95 E HA 0.229 4.579 4.350 0.000 0.000 0.267 95 E C -0.533 176.252 176.600 0.309 0.000 1.032 95 E CA -0.417 56.032 56.400 0.082 0.000 0.889 95 E CB 0.335 30.050 29.700 0.026 0.000 0.984 95 E HN 0.248 nan 8.360 nan 0.000 0.425 96 Y N 1.325 121.743 120.300 0.196 0.000 4.177 96 Y HA -0.245 4.306 4.550 0.000 0.000 0.227 96 Y C 1.331 177.372 175.900 0.236 0.000 1.154 96 Y CA 1.017 59.277 58.100 0.267 0.000 1.887 96 Y CB -2.093 36.668 38.460 0.502 0.000 1.594 96 Y HN 1.059 nan 8.280 nan 0.000 0.668 97 G N -0.865 108.088 108.800 0.255 0.000 2.179 97 G HA2 -0.263 3.697 3.960 0.000 0.000 0.257 97 G HA3 -0.263 3.697 3.960 0.000 0.000 0.257 97 G C -0.324 174.704 174.900 0.212 0.000 1.010 97 G CA 0.094 45.316 45.100 0.204 0.000 0.736 97 G HN 0.268 nan 8.290 nan 0.000 0.513 98 L N 1.098 122.465 121.223 0.240 0.000 2.288 98 L HA 0.690 5.030 4.340 0.000 0.000 0.283 98 L C 1.130 178.067 176.870 0.112 0.000 1.072 98 L CA 0.771 55.733 54.840 0.202 0.000 0.862 98 L CB 0.284 42.469 42.059 0.210 0.000 1.245 98 L HN 0.462 nan 8.230 nan 0.000 0.432 99 G N 1.158 110.002 108.800 0.073 0.000 3.326 99 G HA2 -0.040 3.920 3.960 0.000 0.000 0.138 99 G HA3 -0.040 3.920 3.960 0.000 0.000 0.138 99 G C 0.664 175.531 174.900 -0.055 0.000 1.172 99 G CA -0.030 45.024 45.100 -0.078 0.000 1.485 99 G HN 0.286 nan 8.290 nan 0.000 0.725 100 Y N 1.790 122.108 120.300 0.031 0.000 1.978 100 Y HA -0.108 4.442 4.550 0.000 0.000 0.247 100 Y C 2.635 178.549 175.900 0.024 0.000 1.102 100 Y CA 2.202 60.312 58.100 0.016 0.000 1.069 100 Y CB -0.389 38.071 38.460 -0.000 0.000 0.954 100 Y HN 0.190 nan 8.280 nan 0.000 0.488 101 D N -1.781 118.750 120.400 0.219 0.000 2.333 101 D HA 0.042 4.682 4.640 0.000 0.000 0.208 101 D C 0.044 176.458 176.300 0.190 0.000 0.984 101 D CA 0.776 54.894 54.000 0.196 0.000 0.873 101 D CB -0.128 40.676 40.800 0.006 0.000 0.935 101 D HN 0.201 nan 8.370 nan 0.000 0.521 102 C N 3.429 122.788 119.300 0.098 0.000 3.075 102 C HA 0.287 4.747 4.460 0.000 0.000 0.262 102 C C -2.333 172.782 174.990 0.209 0.000 1.371 102 C CA -1.583 57.453 59.018 0.031 0.000 1.594 102 C CB 0.024 27.622 27.740 -0.237 0.000 1.849 102 C HN 0.096 nan 8.230 nan 0.000 0.475 103 P HA 0.137 nan 4.420 nan 0.000 0.268 103 P C -0.064 177.317 177.300 0.135 0.000 1.205 103 P CA 0.727 63.894 63.100 0.110 0.000 0.771 103 P CB 0.758 32.481 31.700 0.039 0.000 0.858 104 A N 3.411 126.267 122.820 0.061 0.000 2.473 104 A HA 0.386 4.706 4.320 0.000 0.000 0.282 104 A C 0.951 178.489 177.584 -0.076 0.000 1.163 104 A CA 0.253 52.271 52.037 -0.031 0.000 0.827 104 A CB -1.016 17.952 19.000 -0.054 0.000 1.098 104 A HN 0.637 nan 8.150 nan 0.000 0.515 105 T N 0.554 115.023 114.554 -0.141 0.000 2.938 105 T HA 0.604 4.954 4.350 0.000 0.000 0.285 105 T C -0.197 174.413 174.700 -0.149 0.000 1.028 105 T CA -0.850 61.168 62.100 -0.136 0.000 1.005 105 T CB 1.125 69.902 68.868 -0.152 0.000 1.157 105 T HN 0.664 nan 8.240 nan 0.000 0.550 106 E N 0.338 120.469 120.200 -0.115 0.000 2.180 106 E HA 0.430 4.780 4.350 0.000 0.000 0.283 106 E C 0.878 177.421 176.600 -0.095 0.000 1.061 106 E CA -0.222 56.123 56.400 -0.093 0.000 0.861 106 E CB 0.299 29.960 29.700 -0.065 0.000 1.056 106 E HN 1.312 nan 8.360 nan 0.000 0.407 107 G N 3.691 112.443 108.800 -0.080 0.000 2.179 107 G HA2 -0.319 3.641 3.960 0.000 0.000 0.220 107 G HA3 -0.319 3.641 3.960 0.000 0.000 0.220 107 G C 0.793 175.658 174.900 -0.057 0.000 0.990 107 G CA 0.108 45.181 45.100 -0.045 0.000 0.646 107 G HN 0.693 nan 8.290 nan 0.000 0.517 108 I N -2.133 118.335 120.570 -0.170 0.000 2.335 108 I HA 0.018 4.188 4.170 0.000 0.000 0.251 108 I C 2.251 178.309 176.117 -0.097 0.000 1.129 108 I CA 1.728 62.859 61.300 -0.281 0.000 1.402 108 I CB -0.528 37.057 38.000 -0.692 0.000 1.069 108 I HN 0.129 nan 8.210 nan 0.000 0.424 109 F N 2.941 122.790 119.950 -0.168 0.000 2.171 109 F HA -0.199 4.328 4.527 0.000 0.000 0.300 109 F C 2.116 177.898 175.800 -0.029 0.000 1.090 109 F CA 1.835 59.767 58.000 -0.113 0.000 1.293 109 F CB -0.309 38.611 39.000 -0.132 0.000 1.013 109 F HN 0.098 nan 8.300 nan 0.000 0.486 110 D N -1.135 119.281 120.400 0.027 0.000 2.162 110 D HA -0.201 4.439 4.640 0.000 0.000 0.203 110 D C 1.991 178.285 176.300 -0.011 0.000 0.967 110 D CA 1.148 55.136 54.000 -0.020 0.000 0.840 110 D CB -0.795 40.050 40.800 0.075 0.000 0.972 110 D HN 0.399 nan 8.370 nan 0.000 0.482 111 Y N 2.309 122.554 120.300 -0.091 0.000 2.114 111 Y HA -0.276 4.274 4.550 0.000 0.000 0.282 111 Y C 2.396 178.270 175.900 -0.043 0.000 1.165 111 Y CA 2.050 60.115 58.100 -0.059 0.000 1.148 111 Y CB -0.266 38.137 38.460 -0.096 0.000 0.972 111 Y HN -0.054 nan 8.280 nan 0.000 0.504 112 A N 0.543 123.377 122.820 0.023 0.000 1.845 112 A HA -0.170 4.151 4.320 0.000 0.000 0.215 112 A C 2.446 179.961 177.584 -0.115 0.000 1.195 112 A CA 2.260 54.282 52.037 -0.024 0.000 0.616 112 A CB -1.689 17.279 19.000 -0.053 0.000 0.832 112 A HN 0.643 nan 8.150 nan 0.000 0.443 113 A N -0.293 122.358 122.820 -0.281 0.000 1.940 113 A HA 0.093 4.413 4.320 0.000 0.000 0.219 113 A C 2.498 180.011 177.584 -0.117 0.000 1.176 113 A CA 2.381 54.260 52.037 -0.263 0.000 0.631 113 A CB -1.033 17.706 19.000 -0.435 0.000 0.814 113 A HN 1.140 nan 8.150 nan 0.000 0.446 114 A N -0.464 122.307 122.820 -0.081 0.000 1.898 114 A HA -0.032 4.288 4.320 0.000 0.000 0.216 114 A C 2.103 179.728 177.584 0.069 0.000 1.181 114 A CA 1.553 53.591 52.037 0.002 0.000 0.620 114 A CB -0.514 18.528 19.000 0.070 0.000 0.819 114 A HN 0.475 nan 8.150 nan 0.000 0.442 115 I N -0.408 120.203 120.570 0.067 0.000 2.233 115 I HA -0.108 4.062 4.170 0.000 0.000 0.243 115 I C 2.700 178.875 176.117 0.096 0.000 1.093 115 I CA 1.135 62.529 61.300 0.157 0.000 1.380 115 I CB -0.489 37.592 38.000 0.135 0.000 1.067 115 I HN 0.354 nan 8.210 nan 0.000 0.413 116 G N 0.287 109.131 108.800 0.073 0.000 2.446 116 G HA2 -0.218 3.742 3.960 0.000 0.000 0.217 116 G HA3 -0.218 3.742 3.960 0.000 0.000 0.217 116 G C 1.773 176.684 174.900 0.018 0.000 1.168 116 G CA 0.851 45.995 45.100 0.074 0.000 0.771 116 G HN 0.499 nan 8.290 nan 0.000 0.551 117 G N 0.952 109.736 108.800 -0.027 0.000 2.422 117 G HA2 0.054 4.014 3.960 0.000 0.000 0.218 117 G HA3 0.054 4.014 3.960 0.000 0.000 0.218 117 G C 1.995 176.825 174.900 -0.118 0.000 1.146 117 G CA 1.487 46.549 45.100 -0.064 0.000 0.769 117 G HN 0.669 nan 8.290 nan 0.000 0.547 118 A N -0.049 122.662 122.820 -0.182 0.000 1.968 118 A HA 0.075 4.395 4.320 0.000 0.000 0.217 118 A C 2.489 179.973 177.584 -0.166 0.000 1.169 118 A CA 2.227 54.082 52.037 -0.303 0.000 0.638 118 A CB -0.592 18.056 19.000 -0.587 0.000 0.812 118 A HN 0.276 nan 8.150 nan 0.000 0.446 119 T N 0.088 114.597 114.554 -0.075 0.000 2.812 119 T HA 0.005 4.355 4.350 0.000 0.000 0.264 119 T C 1.765 176.448 174.700 -0.029 0.000 1.042 119 T CA 1.265 63.340 62.100 -0.041 0.000 1.140 119 T CB -0.332 68.542 68.868 0.009 0.000 0.870 119 T HN 0.404 nan 8.240 nan 0.000 0.445 120 I N 1.329 121.890 120.570 -0.016 0.000 2.226 120 I HA -0.190 3.981 4.170 0.000 0.000 0.245 120 I C 2.642 178.747 176.117 -0.019 0.000 1.100 120 I CA 1.149 62.448 61.300 -0.001 0.000 1.374 120 I CB -0.564 37.443 38.000 0.011 0.000 1.057 120 I HN 0.241 nan 8.210 nan 0.000 0.413 121 T N 0.636 115.159 114.554 -0.053 0.000 2.788 121 T HA -0.154 4.196 4.350 0.000 0.000 0.268 121 T C 2.037 176.703 174.700 -0.056 0.000 1.044 121 T CA 1.372 63.434 62.100 -0.063 0.000 1.139 121 T CB -0.327 68.476 68.868 -0.109 0.000 0.867 121 T HN 0.482 nan 8.240 nan 0.000 0.454 122 A N 1.477 124.255 122.820 -0.071 0.000 1.898 122 A HA 0.219 4.539 4.320 0.000 0.000 0.216 122 A C 2.673 180.241 177.584 -0.027 0.000 1.181 122 A CA 1.690 53.690 52.037 -0.063 0.000 0.620 122 A CB -1.111 17.833 19.000 -0.093 0.000 0.819 122 A HN 0.499 nan 8.150 nan 0.000 0.442 123 A N -0.902 121.912 122.820 -0.010 0.000 1.908 123 A HA -0.228 4.092 4.320 0.000 0.000 0.218 123 A C 2.164 179.778 177.584 0.051 0.000 1.181 123 A CA 2.202 54.255 52.037 0.027 0.000 0.627 123 A CB -0.535 18.488 19.000 0.038 0.000 0.818 123 A HN 0.527 nan 8.150 nan 0.000 0.445 124 Q N -0.467 119.350 119.800 0.028 0.000 2.079 124 Q HA -0.142 4.198 4.340 0.000 0.000 0.200 124 Q C 2.017 178.037 176.000 0.033 0.000 0.974 124 Q CA 2.111 57.932 55.803 0.031 0.000 0.840 124 Q CB -1.003 27.741 28.738 0.011 0.000 0.898 124 Q HN 0.639 nan 8.270 nan 0.000 0.430 125 C N -0.288 119.022 119.300 0.017 0.000 2.403 125 C HA -0.134 4.326 4.460 0.000 0.000 0.277 125 C C 2.367 177.383 174.990 0.043 0.000 1.248 125 C CA 0.531 59.560 59.018 0.019 0.000 1.762 125 C CB -1.132 26.608 27.740 0.001 0.000 2.014 125 C HN 0.482 nan 8.230 nan 0.000 0.486 126 L N 0.190 121.449 121.223 0.061 0.000 2.072 126 L HA 0.007 4.347 4.340 0.000 0.000 0.205 126 L C 2.238 179.230 176.870 0.203 0.000 1.079 126 L CA 1.535 56.439 54.840 0.106 0.000 0.752 126 L CB -1.049 41.057 42.059 0.078 0.000 0.906 126 L HN 0.317 nan 8.230 nan 0.000 0.436 127 I N -0.293 120.393 120.570 0.193 0.000 2.208 127 I HA -0.298 3.872 4.170 0.000 0.000 0.245 127 I C 1.256 177.401 176.117 0.048 0.000 1.097 127 I CA 1.300 62.678 61.300 0.130 0.000 1.363 127 I CB -0.187 37.854 38.000 0.069 0.000 1.051 127 I HN 0.239 nan 8.210 nan 0.000 0.413 128 D N 0.516 120.943 120.400 0.045 0.000 2.319 128 D HA 0.089 4.730 4.640 0.000 0.000 0.230 128 D C 1.561 177.879 176.300 0.029 0.000 1.094 128 D CA 0.821 54.835 54.000 0.022 0.000 0.856 128 D CB 0.256 41.065 40.800 0.016 0.000 0.915 128 D HN 0.438 nan 8.370 nan 0.000 0.517 129 G N 1.501 110.333 108.800 0.053 0.000 2.175 129 G HA2 -0.413 3.547 3.960 0.000 0.000 0.265 129 G HA3 -0.413 3.547 3.960 0.000 0.000 0.265 129 G C 1.023 175.947 174.900 0.039 0.000 0.979 129 G CA 0.773 45.904 45.100 0.052 0.000 0.663 129 G HN 0.410 nan 8.290 nan 0.000 0.533 130 M N -0.145 119.475 119.600 0.034 0.000 2.358 130 M HA 0.095 4.575 4.480 0.000 0.000 0.264 130 M C 1.301 177.616 176.300 0.025 0.000 1.064 130 M CA 2.148 57.463 55.300 0.026 0.000 1.093 130 M CB -0.213 32.399 32.600 0.021 0.000 1.401 130 M HN 1.011 nan 8.290 nan 0.000 0.440 131 C N -3.088 116.229 119.300 0.029 0.000 3.306 131 C HA 0.475 4.935 4.460 0.000 0.000 0.335 131 C C 0.570 175.575 174.990 0.024 0.000 1.382 131 C CA -1.178 57.852 59.018 0.020 0.000 1.254 131 C CB 1.411 29.157 27.740 0.010 0.000 1.555 131 C HN 0.144 nan 8.230 nan 0.000 0.463 132 K N 0.079 120.486 120.400 0.011 0.000 2.334 132 K HA 0.329 4.649 4.320 0.000 0.000 0.195 132 K C 0.023 176.611 176.600 -0.021 0.000 1.045 132 K CA 0.754 57.044 56.287 0.005 0.000 1.004 132 K CB 0.555 33.059 32.500 0.007 0.000 0.837 132 K HN 0.654 nan 8.250 nan 0.000 0.510 133 V N 1.130 121.026 119.914 -0.029 0.000 2.531 133 V HA 0.561 4.681 4.120 0.000 0.000 0.301 133 V C -0.853 175.204 176.094 -0.062 0.000 1.034 133 V CA -1.224 61.042 62.300 -0.056 0.000 0.865 133 V CB 1.612 33.397 31.823 -0.064 0.000 0.995 133 V HN 0.096 nan 8.190 nan 0.000 0.424 134 A N 5.918 128.685 122.820 -0.089 0.000 2.343 134 A HA 0.932 5.252 4.320 0.000 0.000 0.316 134 A C -0.927 176.546 177.584 -0.185 0.000 1.104 134 A CA -0.502 51.475 52.037 -0.100 0.000 0.768 134 A CB 0.964 19.919 19.000 -0.075 0.000 1.213 134 A HN 0.774 nan 8.150 nan 0.000 0.456 135 I N 2.414 122.854 120.570 -0.217 0.000 2.362 135 I HA 0.319 4.489 4.170 0.000 0.000 0.289 135 I C 0.151 176.038 176.117 -0.383 0.000 0.994 135 I CA -0.179 60.864 61.300 -0.428 0.000 1.158 135 I CB 1.757 39.465 38.000 -0.486 0.000 1.315 135 I HN 0.788 nan 8.210 nan 0.000 0.451 136 N N 5.695 124.153 118.700 -0.403 0.000 2.696 136 N HA 0.192 4.932 4.740 0.000 0.000 0.246 136 N C 0.239 175.617 175.510 -0.220 0.000 1.057 136 N CA -0.544 52.364 53.050 -0.236 0.000 0.867 136 N CB 0.657 39.067 38.487 -0.129 0.000 1.141 136 N HN 0.677 nan 8.380 nan 0.000 0.517 137 W N 1.629 122.835 121.300 -0.157 0.000 2.525 137 W HA -0.022 4.638 4.660 -0.000 0.000 0.259 137 W C 1.770 178.080 176.519 -0.349 0.000 1.253 137 W CA -0.036 57.075 57.345 -0.391 0.000 1.262 137 W CB 0.511 29.842 29.460 -0.215 0.000 1.122 137 W HN 0.458 nan 8.180 nan 0.000 0.607 138 S N -0.594 115.183 115.700 0.128 0.000 2.575 138 S HA 0.155 4.625 4.470 0.000 0.000 0.215 138 S C 1.209 175.860 174.600 0.086 0.000 0.966 138 S CA 0.222 58.499 58.200 0.128 0.000 0.911 138 S CB -0.171 63.057 63.200 0.047 0.000 0.780 138 S HN 0.222 nan 8.310 nan 0.000 0.514 139 G N 0.106 108.893 108.800 -0.022 0.000 2.509 139 G HA2 0.474 4.434 3.960 0.000 0.000 0.269 139 G HA3 0.474 4.434 3.960 0.000 0.000 0.269 139 G C 0.729 175.373 174.900 -0.426 0.000 1.416 139 G CA -0.005 45.033 45.100 -0.104 0.000 1.052 139 G HN 0.713 nan 8.290 nan 0.000 0.542 140 G N -2.636 105.981 108.800 -0.305 0.000 2.131 140 G HA2 -0.195 3.765 3.960 0.000 0.000 0.201 140 G HA3 -0.195 3.765 3.960 0.000 0.000 0.201 140 G C 0.072 174.799 174.900 -0.288 0.000 1.000 140 G CA 0.052 44.959 45.100 -0.322 0.000 0.680 140 G HN 0.549 nan 8.290 nan 0.000 0.514 141 W N 1.816 123.230 121.300 0.190 0.000 1.836 141 W HA 0.501 5.161 4.660 0.000 0.000 0.449 141 W C 1.579 178.219 176.519 0.202 0.000 0.787 141 W CA -0.191 57.293 57.345 0.232 0.000 1.729 141 W CB -0.475 29.130 29.460 0.242 0.000 1.802 141 W HN 0.602 nan 8.180 nan 0.000 0.257 142 H N -2.232 116.884 119.070 0.077 0.000 2.539 142 H HA 0.050 4.606 4.556 0.000 0.000 0.267 142 H C 1.271 176.556 175.328 -0.071 0.000 0.982 142 H CA 0.346 56.374 56.048 -0.032 0.000 1.146 142 H CB 0.173 29.932 29.762 -0.005 0.000 1.382 142 H HN 0.358 nan 8.280 nan 0.000 0.577 143 H N 0.856 119.959 119.070 0.054 0.000 2.562 143 H HA 0.381 4.937 4.556 0.000 0.000 0.267 143 H C 0.936 176.305 175.328 0.069 0.000 0.959 143 H CA 0.397 56.431 56.048 -0.023 0.000 1.204 143 H CB 0.132 29.906 29.762 0.020 0.000 1.430 143 H HN 0.492 nan 8.280 nan 0.000 0.545 144 A N 1.776 124.758 122.820 0.269 0.000 2.440 144 A HA 0.316 4.636 4.320 0.000 0.000 0.251 144 A C 0.373 178.139 177.584 0.304 0.000 1.089 144 A CA -0.173 52.028 52.037 0.273 0.000 0.779 144 A CB 0.549 19.762 19.000 0.356 0.000 1.022 144 A HN 0.223 nan 8.150 nan 0.000 0.492 145 K N 0.533 121.037 120.400 0.173 0.000 2.267 145 K HA 0.282 4.602 4.320 0.000 0.000 0.236 145 K C 1.178 177.654 176.600 -0.206 0.000 1.030 145 K CA -0.344 55.997 56.287 0.090 0.000 0.930 145 K CB 1.102 33.607 32.500 0.009 0.000 1.182 145 K HN 0.713 nan 8.250 nan 0.000 0.474 146 K N 0.252 120.296 120.400 -0.594 0.000 2.103 146 K HA -0.170 4.151 4.320 0.000 0.000 0.207 146 K C 0.295 176.667 176.600 -0.379 0.000 1.048 146 K CA 2.054 57.740 56.287 -1.002 0.000 0.930 146 K CB -0.096 31.870 32.500 -0.890 0.000 0.716 146 K HN 0.611 nan 8.250 nan 0.000 0.444 147 D N -0.175 120.057 120.400 -0.280 0.000 2.571 147 D HA 0.151 4.791 4.640 0.000 0.000 0.239 147 D C -0.772 175.414 176.300 -0.191 0.000 1.267 147 D CA -0.366 53.539 54.000 -0.158 0.000 0.823 147 D CB 0.312 41.159 40.800 0.079 0.000 1.056 147 D HN 0.300 nan 8.370 nan 0.000 0.494 148 E N 0.358 120.321 120.200 -0.395 0.000 2.313 148 E HA 0.533 4.883 4.350 0.000 0.000 0.280 148 E C -1.157 175.377 176.600 -0.111 0.000 0.898 148 E CA -0.705 55.617 56.400 -0.129 0.000 0.803 148 E CB 2.163 31.847 29.700 -0.026 0.000 1.286 148 E HN 0.206 nan 8.360 nan 0.000 0.401 149 A N 2.496 125.354 122.820 0.064 0.000 2.425 149 A HA 0.580 4.900 4.320 0.000 0.000 0.242 149 A C -0.115 177.488 177.584 0.033 0.000 1.077 149 A CA 0.164 52.250 52.037 0.082 0.000 0.781 149 A CB 1.002 20.073 19.000 0.119 0.000 1.020 149 A HN 0.412 nan 8.150 nan 0.000 0.494 150 S N -0.168 115.525 115.700 -0.010 0.000 2.579 150 S HA 0.488 4.958 4.470 0.000 0.000 0.290 150 S C 0.032 174.625 174.600 -0.010 0.000 1.123 150 S CA 0.697 58.911 58.200 0.024 0.000 0.894 150 S CB 0.313 63.569 63.200 0.092 0.000 1.095 150 S HN 2.754 nan 8.310 nan 0.000 0.450 151 G N 3.216 111.874 108.800 -0.237 0.000 2.323 151 G HA2 -0.250 3.710 3.960 0.000 0.000 0.292 151 G HA3 -0.250 3.710 3.960 0.000 0.000 0.292 151 G C 0.525 175.128 174.900 -0.495 0.000 1.040 151 G CA 0.494 45.198 45.100 -0.660 0.000 0.942 151 G HN 1.816 nan 8.290 nan 0.000 0.506 152 F N -4.507 115.298 119.950 -0.242 0.000 2.871 152 F HA -0.310 4.217 4.527 0.000 0.000 0.326 152 F C 1.213 176.732 175.800 -0.469 0.000 0.675 152 F CA 0.173 57.968 58.000 -0.343 0.000 1.188 152 F CB -2.142 36.711 39.000 -0.245 0.000 1.567 152 F HN 0.506 nan 8.300 nan 0.000 0.325 153 C N 0.829 120.036 119.300 -0.155 0.000 2.251 153 C HA 0.395 4.855 4.460 0.000 0.000 0.323 153 C C 1.291 176.219 174.990 -0.104 0.000 1.241 153 C CA -0.449 58.557 59.018 -0.021 0.000 1.601 153 C CB -0.446 27.480 27.740 0.309 0.000 2.251 153 C HN 0.343 nan 8.230 nan 0.000 0.488 154 Y N 1.396 121.777 120.300 0.136 0.000 2.503 154 Y HA 0.375 4.925 4.550 0.000 0.000 0.278 154 Y C 0.630 176.646 175.900 0.193 0.000 1.111 154 Y CA 0.192 58.399 58.100 0.179 0.000 1.270 154 Y CB 0.161 38.692 38.460 0.117 0.000 1.063 154 Y HN 0.480 nan 8.280 nan 0.000 0.548 155 L N -0.185 121.233 121.223 0.325 0.000 2.466 155 L HA 0.354 4.694 4.340 0.000 0.000 0.258 155 L C -1.057 176.102 176.870 0.482 0.000 0.973 155 L CA -0.752 54.265 54.840 0.295 0.000 0.826 155 L CB 1.771 43.962 42.059 0.221 0.000 1.372 155 L HN -0.149 nan 8.230 nan 0.000 0.409 156 N N 2.174 121.294 118.700 0.700 0.000 2.645 156 N HA 0.093 4.833 4.740 0.000 0.000 0.233 156 N C 0.276 175.967 175.510 0.303 0.000 1.058 156 N CA -0.055 53.257 53.050 0.437 0.000 0.942 156 N CB 0.729 39.408 38.487 0.320 0.000 1.210 156 N HN 0.740 nan 8.380 nan 0.000 0.512 157 D N 2.367 122.933 120.400 0.278 0.000 2.183 157 D HA -0.136 4.504 4.640 0.000 0.000 0.203 157 D C 1.311 177.674 176.300 0.105 0.000 0.969 157 D CA 0.428 54.541 54.000 0.189 0.000 0.842 157 D CB -0.004 40.907 40.800 0.186 0.000 0.957 157 D HN 0.373 nan 8.370 nan 0.000 0.484 158 A N 1.374 124.246 122.820 0.086 0.000 1.883 158 A HA -0.123 4.197 4.320 0.000 0.000 0.217 158 A C 2.678 180.245 177.584 -0.027 0.000 1.186 158 A CA 1.877 53.934 52.037 0.032 0.000 0.624 158 A CB -1.001 18.006 19.000 0.011 0.000 0.822 158 A HN 0.190 nan 8.150 nan 0.000 0.444 159 V N 0.136 119.992 119.914 -0.098 0.000 2.295 159 V HA -0.275 3.846 4.120 0.000 0.000 0.246 159 V C 2.589 178.660 176.094 -0.039 0.000 1.049 159 V CA 2.047 64.248 62.300 -0.165 0.000 1.024 159 V CB -0.798 30.564 31.823 -0.767 0.000 0.648 159 V HN 0.577 nan 8.190 nan 0.000 0.447 160 L N 0.299 121.527 121.223 0.010 0.000 2.079 160 L HA -0.116 4.224 4.340 0.000 0.000 0.210 160 L C 2.623 179.537 176.870 0.073 0.000 1.081 160 L CA 1.747 56.636 54.840 0.081 0.000 0.752 160 L CB -1.152 40.986 42.059 0.132 0.000 0.896 160 L HN 0.480 nan 8.230 nan 0.000 0.433 161 G N 0.232 109.066 108.800 0.057 0.000 2.402 161 G HA2 -0.196 3.764 3.960 0.000 0.000 0.216 161 G HA3 -0.196 3.764 3.960 0.000 0.000 0.216 161 G C 1.591 176.522 174.900 0.052 0.000 1.162 161 G CA 0.601 45.729 45.100 0.047 0.000 0.777 161 G HN 0.283 nan 8.290 nan 0.000 0.539 162 I N 0.334 120.932 120.570 0.047 0.000 2.315 162 I HA -0.090 4.080 4.170 0.000 0.000 0.248 162 I C 2.650 178.809 176.117 0.071 0.000 1.117 162 I CA 0.566 61.873 61.300 0.011 0.000 1.404 162 I CB -0.136 37.792 38.000 -0.120 0.000 1.071 162 I HN 0.117 nan 8.210 nan 0.000 0.419 163 L N 0.081 121.388 121.223 0.140 0.000 2.093 163 L HA -0.198 4.142 4.340 0.000 0.000 0.208 163 L C 2.733 179.668 176.870 0.108 0.000 1.085 163 L CA 0.926 55.857 54.840 0.152 0.000 0.755 163 L CB -0.487 41.664 42.059 0.153 0.000 0.904 163 L HN 0.197 nan 8.230 nan 0.000 0.435 164 R N 0.918 121.473 120.500 0.092 0.000 2.073 164 R HA -0.125 4.215 4.340 0.000 0.000 0.234 164 R C 2.100 178.460 176.300 0.100 0.000 1.134 164 R CA 1.620 57.769 56.100 0.082 0.000 0.952 164 R CB -0.785 29.556 30.300 0.068 0.000 0.850 164 R HN 0.254 nan 8.270 nan 0.000 0.433 165 L N 0.294 121.591 121.223 0.124 0.000 2.191 165 L HA -0.107 4.233 4.340 0.000 0.000 0.212 165 L C 2.477 179.487 176.870 0.235 0.000 1.103 165 L CA 1.141 56.112 54.840 0.220 0.000 0.769 165 L CB -0.375 41.790 42.059 0.178 0.000 0.908 165 L HN 0.201 nan 8.230 nan 0.000 0.438 166 R N 0.185 120.767 120.500 0.137 0.000 2.103 166 R HA -0.218 4.122 4.340 0.000 0.000 0.242 166 R C 2.332 178.668 176.300 0.061 0.000 1.142 166 R CA 1.536 57.698 56.100 0.103 0.000 0.960 166 R CB -0.463 29.889 30.300 0.087 0.000 0.858 166 R HN 0.391 nan 8.270 nan 0.000 0.439 167 R N 0.342 120.867 120.500 0.042 0.000 2.154 167 R HA -0.194 4.146 4.340 0.000 0.000 0.248 167 R C 2.165 178.418 176.300 -0.079 0.000 1.155 167 R CA 1.771 57.867 56.100 -0.007 0.000 0.979 167 R CB -0.099 30.200 30.300 -0.001 0.000 0.869 167 R HN 0.150 nan 8.270 nan 0.000 0.452 168 K N -1.104 119.203 120.400 -0.156 0.000 2.399 168 K HA 0.135 4.455 4.320 0.000 0.000 0.196 168 K C -0.562 175.705 176.600 -0.554 0.000 1.117 168 K CA 0.063 56.095 56.287 -0.425 0.000 0.965 168 K CB 0.686 32.783 32.500 -0.672 0.000 0.983 168 K HN -0.105 nan 8.250 nan 0.000 0.531 169 F N 1.052 120.999 119.950 -0.005 0.000 2.449 169 F HA 0.293 4.821 4.527 0.000 0.000 0.342 169 F C 0.837 176.627 175.800 -0.017 0.000 1.127 169 F CA -0.884 57.109 58.000 -0.012 0.000 0.975 169 F CB 1.954 40.953 39.000 -0.002 0.000 1.146 169 F HN -0.104 nan 8.300 nan 0.000 0.444 170 E N 1.830 122.104 120.200 0.124 0.000 2.318 170 E HA 0.116 4.467 4.350 0.000 0.000 0.193 170 E C 0.070 176.690 176.600 0.034 0.000 0.998 170 E CA 0.596 57.025 56.400 0.048 0.000 0.859 170 E CB 0.297 29.995 29.700 -0.003 0.000 0.812 170 E HN 0.496 nan 8.360 nan 0.000 0.492 171 R N 0.410 120.922 120.500 0.020 0.000 2.476 171 R HA 0.375 4.715 4.340 0.000 0.000 0.305 171 R C -0.807 175.577 176.300 0.141 0.000 0.965 171 R CA -0.564 55.541 56.100 0.007 0.000 0.867 171 R CB 1.436 31.475 30.300 -0.435 0.000 1.176 171 R HN -0.061 nan 8.270 nan 0.000 0.447 172 I N 4.506 125.223 120.570 0.245 0.000 2.378 172 I HA 0.264 4.434 4.170 0.000 0.000 0.291 172 I C -0.524 175.730 176.117 0.228 0.000 0.992 172 I CA -1.048 60.345 61.300 0.155 0.000 1.154 172 I CB 1.436 39.428 38.000 -0.014 0.000 1.315 172 I HN 0.422 nan 8.210 nan 0.000 0.448 173 L N 8.372 129.726 121.223 0.218 0.000 2.262 173 L HA 0.381 4.721 4.340 0.000 0.000 0.288 173 L C -1.104 175.845 176.870 0.132 0.000 1.035 173 L CA -0.374 54.553 54.840 0.145 0.000 0.820 173 L CB 0.768 42.963 42.059 0.226 0.000 1.204 173 L HN 0.431 nan 8.230 nan 0.000 0.424 174 Y N 5.308 125.591 120.300 -0.029 0.000 2.341 174 Y HA 0.627 5.177 4.550 0.001 0.000 0.340 174 Y C -0.927 175.005 175.900 0.054 0.000 0.997 174 Y CA -0.528 57.572 58.100 0.000 0.000 1.149 174 Y CB 1.116 39.559 38.460 -0.027 0.000 1.171 174 Y HN 0.393 nan 8.280 nan 0.000 0.494 175 V N 6.533 126.180 119.914 -0.445 0.000 2.444 175 V HA 0.277 4.398 4.120 0.000 0.000 0.294 175 V C -0.964 174.833 176.094 -0.495 0.000 1.022 175 V CA -0.864 61.261 62.300 -0.292 0.000 0.850 175 V CB 1.621 33.410 31.823 -0.055 0.000 0.992 175 V HN 0.713 nan 8.190 nan 0.000 0.426 176 D N 4.549 124.772 120.400 -0.295 0.000 2.420 176 D HA 0.375 5.015 4.640 0.000 0.000 0.255 176 D C 0.303 176.654 176.300 0.085 0.000 1.185 176 D CA -0.293 53.597 54.000 -0.183 0.000 0.904 176 D CB 1.628 42.414 40.800 -0.023 0.000 1.102 176 D HN 0.455 nan 8.370 nan 0.000 0.534 177 L N 1.854 123.137 121.223 0.100 0.000 2.628 177 L HA 0.178 4.518 4.340 0.000 0.000 0.229 177 L C 1.233 178.257 176.870 0.255 0.000 1.137 177 L CA -0.289 54.700 54.840 0.250 0.000 0.909 177 L CB -0.012 42.198 42.059 0.252 0.000 1.137 177 L HN 0.334 nan 8.230 nan 0.000 0.470 178 D N 0.939 121.446 120.400 0.178 0.000 2.406 178 D HA -0.112 4.528 4.640 0.000 0.000 0.234 178 D C 1.100 177.588 176.300 0.313 0.000 1.196 178 D CA 0.044 54.174 54.000 0.217 0.000 0.881 178 D CB 1.507 42.380 40.800 0.122 0.000 1.205 178 D HN -0.025 nan 8.370 nan 0.000 0.453 179 L N 3.496 124.875 121.223 0.260 0.000 2.127 179 L HA -0.142 4.198 4.340 0.000 0.000 0.211 179 L C 0.447 177.415 176.870 0.164 0.000 1.089 179 L CA 1.783 56.637 54.840 0.024 0.000 0.757 179 L CB -0.488 41.532 42.059 -0.065 0.000 0.899 179 L HN 0.415 nan 8.230 nan 0.000 0.434 180 H N -1.625 117.723 119.070 0.464 0.000 2.482 180 H HA 0.249 4.805 4.556 0.000 0.000 0.344 180 H C -0.314 175.320 175.328 0.510 0.000 1.151 180 H CA -0.454 55.904 56.048 0.517 0.000 1.300 180 H CB 0.359 30.448 29.762 0.545 0.000 1.494 180 H HN 0.155 nan 8.280 nan 0.000 0.542 181 H N 1.114 120.324 119.070 0.233 0.000 2.929 181 H HA 0.071 4.628 4.556 0.000 0.000 0.317 181 H C 0.377 175.770 175.328 0.110 0.000 1.031 181 H CA -0.489 55.455 56.048 -0.174 0.000 1.466 181 H CB 0.468 29.925 29.762 -0.508 0.000 1.482 181 H HN 0.924 nan 8.280 nan 0.000 0.561 182 G N 4.892 113.746 108.800 0.090 0.000 3.101 182 G HA2 -0.098 3.862 3.960 0.000 0.000 0.272 182 G HA3 -0.098 3.862 3.960 0.000 0.000 0.272 182 G C 0.849 175.555 174.900 -0.324 0.000 0.801 182 G CA -0.149 45.021 45.100 0.116 0.000 1.978 182 G HN 0.837 nan 8.290 nan 0.000 0.591 183 D N 1.239 121.275 120.400 -0.606 0.000 2.149 183 D HA -0.094 4.546 4.640 0.000 0.000 0.201 183 D C 2.195 178.378 176.300 -0.195 0.000 0.972 183 D CA 1.027 54.681 54.000 -0.577 0.000 0.835 183 D CB -0.699 39.841 40.800 -0.435 0.000 0.966 183 D HN 0.284 nan 8.370 nan 0.000 0.476 184 G N 0.697 109.436 108.800 -0.101 0.000 2.408 184 G HA2 -0.145 3.815 3.960 0.000 0.000 0.217 184 G HA3 -0.145 3.815 3.960 0.000 0.000 0.217 184 G C 1.800 176.649 174.900 -0.085 0.000 1.150 184 G CA 1.139 46.228 45.100 -0.018 0.000 0.776 184 G HN 0.314 nan 8.290 nan 0.000 0.542 185 V N 0.359 120.195 119.914 -0.131 0.000 2.379 185 V HA -0.060 4.061 4.120 0.000 0.000 0.243 185 V C 2.447 178.513 176.094 -0.046 0.000 1.035 185 V CA 1.820 63.997 62.300 -0.206 0.000 1.035 185 V CB -0.362 31.122 31.823 -0.565 0.000 0.673 185 V HN 0.516 nan 8.190 nan 0.000 0.457 186 E N 0.514 120.710 120.200 -0.006 0.000 2.065 186 E HA -0.325 4.025 4.350 0.000 0.000 0.201 186 E C 1.856 178.471 176.600 0.024 0.000 1.016 186 E CA 2.056 58.495 56.400 0.064 0.000 0.818 186 E CB -0.110 29.641 29.700 0.086 0.000 0.749 186 E HN 0.577 nan 8.360 nan 0.000 0.453 187 D N -0.206 120.180 120.400 -0.023 0.000 2.144 187 D HA -0.110 4.530 4.640 0.000 0.000 0.200 187 D C 1.851 178.128 176.300 -0.038 0.000 0.978 187 D CA 1.203 55.191 54.000 -0.021 0.000 0.833 187 D CB -0.382 40.418 40.800 -0.000 0.000 0.961 187 D HN 0.318 nan 8.370 nan 0.000 0.470 188 A N 0.128 122.858 122.820 -0.150 0.000 1.917 188 A HA -0.177 4.143 4.320 0.000 0.000 0.219 188 A C 1.526 178.801 177.584 -0.515 0.000 1.182 188 A CA 1.220 53.001 52.037 -0.427 0.000 0.633 188 A CB -0.724 17.639 19.000 -1.062 0.000 0.819 188 A HN 0.266 nan 8.150 nan 0.000 0.448 189 F N -1.147 118.784 119.950 -0.031 0.000 2.735 189 F HA 0.209 4.736 4.527 0.000 0.000 0.304 189 F C 2.031 177.826 175.800 -0.009 0.000 1.119 189 F CA 0.331 58.324 58.000 -0.011 0.000 1.280 189 F CB 0.417 39.386 39.000 -0.051 0.000 0.994 189 F HN 0.210 nan 8.300 nan 0.000 0.520 190 S N 0.117 115.848 115.700 0.051 0.000 2.402 190 S HA -0.161 4.309 4.470 0.000 0.000 0.229 190 S C 1.504 175.958 174.600 -0.242 0.000 1.021 190 S CA 1.483 59.599 58.200 -0.140 0.000 0.974 190 S CB -0.273 62.738 63.200 -0.314 0.000 0.800 190 S HN 0.362 nan 8.310 nan 0.000 0.484 191 F N 1.254 121.234 119.950 0.051 0.000 2.693 191 F HA 0.387 4.915 4.527 0.001 0.000 0.303 191 F C 1.050 176.867 175.800 0.028 0.000 1.097 191 F CA 0.024 58.042 58.000 0.030 0.000 1.330 191 F CB 0.372 39.381 39.000 0.016 0.000 1.067 191 F HN 0.128 nan 8.300 nan 0.000 0.565 192 T N -1.421 113.238 114.554 0.174 0.000 2.924 192 T HA 0.362 4.712 4.350 0.000 0.000 0.291 192 T C 0.817 175.488 174.700 -0.049 0.000 1.045 192 T CA -0.151 62.004 62.100 0.092 0.000 1.015 192 T CB 1.509 70.472 68.868 0.159 0.000 1.103 192 T HN 0.004 nan 8.240 nan 0.000 0.496 193 S N 1.784 117.347 115.700 -0.228 0.000 2.559 193 S HA 0.257 4.727 4.470 0.000 0.000 0.226 193 S C 1.150 175.603 174.600 -0.244 0.000 1.000 193 S CA -0.452 57.322 58.200 -0.710 0.000 0.948 193 S CB 0.073 62.630 63.200 -1.073 0.000 0.870 193 S HN 0.567 nan 8.310 nan 0.000 0.497 194 K N 1.201 121.585 120.400 -0.026 0.000 2.361 194 K HA 0.319 4.639 4.320 0.000 0.000 0.196 194 K C -0.064 176.656 176.600 0.200 0.000 1.039 194 K CA 0.313 56.664 56.287 0.107 0.000 1.001 194 K CB 0.413 32.943 32.500 0.051 0.000 0.795 194 K HN 0.344 nan 8.250 nan 0.000 0.495 195 V N 2.415 122.359 119.914 0.050 0.000 2.407 195 V HA 0.330 4.450 4.120 0.000 0.000 0.291 195 V C -0.460 175.536 176.094 -0.164 0.000 1.018 195 V CA -0.667 61.560 62.300 -0.121 0.000 0.842 195 V CB 1.678 33.128 31.823 -0.622 0.000 0.996 195 V HN 0.114 nan 8.190 nan 0.000 0.426 196 M N 5.314 124.656 119.600 -0.429 0.000 2.157 196 M HA 0.507 4.987 4.480 0.000 0.000 0.354 196 M C 0.190 176.394 176.300 -0.160 0.000 1.170 196 M CA -0.116 54.919 55.300 -0.442 0.000 1.060 196 M CB 1.358 33.317 32.600 -1.068 0.000 1.615 196 M HN 0.809 nan 8.290 nan 0.000 0.460 197 T N 2.474 117.034 114.554 0.010 0.000 2.795 197 T HA 0.635 4.985 4.350 0.000 0.000 0.282 197 T C -0.611 174.180 174.700 0.152 0.000 0.980 197 T CA -0.816 61.392 62.100 0.180 0.000 1.012 197 T CB 1.079 70.109 68.868 0.269 0.000 0.936 197 T HN 0.450 nan 8.240 nan 0.000 0.457 198 V N 3.139 123.146 119.914 0.156 0.000 2.376 198 V HA 0.603 4.723 4.120 0.000 0.000 0.287 198 V C 0.015 176.204 176.094 0.158 0.000 1.015 198 V CA -0.743 61.630 62.300 0.122 0.000 0.834 198 V CB 1.448 33.317 31.823 0.075 0.000 1.001 198 V HN 1.059 nan 8.190 nan 0.000 0.428 199 S N 5.321 121.172 115.700 0.251 0.000 2.478 199 S HA 0.787 5.257 4.470 0.000 0.000 0.312 199 S C -0.924 173.856 174.600 0.299 0.000 1.094 199 S CA -0.466 57.963 58.200 0.381 0.000 1.081 199 S CB 0.888 64.476 63.200 0.647 0.000 1.007 199 S HN 0.482 nan 8.310 nan 0.000 0.475 200 L N 7.522 128.890 121.223 0.241 0.000 2.282 200 L HA 0.627 4.967 4.340 0.000 0.000 0.288 200 L C 0.302 177.362 176.870 0.317 0.000 1.033 200 L CA -0.085 54.812 54.840 0.094 0.000 0.807 200 L CB 1.096 43.178 42.059 0.037 0.000 1.209 200 L HN 0.756 nan 8.230 nan 0.000 0.423 201 H N 1.298 120.570 119.070 0.336 0.000 3.014 201 H HA 0.323 4.880 4.556 0.001 0.000 0.337 201 H C -1.230 174.323 175.328 0.375 0.000 1.320 201 H CA -1.212 55.050 56.048 0.357 0.000 1.128 201 H CB 1.405 31.381 29.762 0.356 0.000 1.862 201 H HN 0.404 nan 8.280 nan 0.000 0.536 202 K N 1.241 121.818 120.400 0.296 0.000 2.383 202 K HA 0.218 4.538 4.320 0.000 0.000 0.286 202 K C -1.505 175.315 176.600 0.366 0.000 1.051 202 K CA -0.242 56.130 56.287 0.142 0.000 0.974 202 K CB 0.236 32.409 32.500 -0.545 0.000 0.968 202 K HN 0.441 nan 8.250 nan 0.000 0.475 203 F N 3.832 123.874 119.950 0.153 0.000 2.434 203 F HA 0.328 4.855 4.527 -0.000 0.000 0.355 203 F C -1.016 174.832 175.800 0.079 0.000 1.115 203 F CA -0.233 57.870 58.000 0.172 0.000 1.010 203 F CB 1.524 40.609 39.000 0.142 0.000 1.234 203 F HN 0.484 nan 8.300 nan 0.000 0.439 204 S N 6.739 122.223 115.700 -0.359 0.000 2.562 204 S HA 0.475 4.946 4.470 0.000 0.000 0.274 204 S C -2.925 171.522 174.600 -0.254 0.000 1.160 204 S CA -1.242 56.799 58.200 -0.265 0.000 0.933 204 S CB 1.479 64.598 63.200 -0.135 0.000 1.100 204 S HN 0.340 nan 8.310 nan 0.000 0.468 205 P HA 0.285 nan 4.420 nan 0.000 0.261 205 P C 0.917 178.180 177.300 -0.062 0.000 1.183 205 P CA 1.317 64.317 63.100 -0.168 0.000 0.761 205 P CB 0.294 31.926 31.700 -0.114 0.000 0.785 206 G N 2.454 111.230 108.800 -0.040 0.000 2.232 206 G HA2 -0.259 3.701 3.960 0.000 0.000 0.226 206 G HA3 -0.259 3.701 3.960 0.000 0.000 0.226 206 G C -0.165 174.781 174.900 0.077 0.000 0.996 206 G CA -0.521 44.586 45.100 0.012 0.000 0.626 206 G HN 0.519 nan 8.290 nan 0.000 0.509 207 F N 2.591 122.497 119.950 -0.073 0.000 2.404 207 F HA 0.703 5.230 4.527 0.001 0.000 0.358 207 F C 0.516 176.333 175.800 0.029 0.000 1.120 207 F CA -2.131 55.861 58.000 -0.014 0.000 1.144 207 F CB 0.214 39.184 39.000 -0.050 0.000 1.133 207 F HN 0.158 nan 8.300 nan 0.000 0.495 208 F N 9.255 128.858 119.950 -0.580 0.000 2.635 208 F HA 0.136 4.663 4.527 0.000 0.000 0.379 208 F C -1.485 174.131 175.800 -0.307 0.000 1.094 208 F CA -1.099 56.642 58.000 -0.432 0.000 1.300 208 F CB 0.658 39.390 39.000 -0.446 0.000 1.035 208 F HN 0.409 nan 8.300 nan 0.000 0.581 209 P HA 0.228 nan 4.420 nan 0.000 0.261 209 P C 0.618 177.635 177.300 -0.473 0.000 1.352 209 P CA 0.955 63.287 63.100 -1.281 0.000 0.891 209 P CB 0.515 31.298 31.700 -1.529 0.000 1.383 210 G N -0.324 108.351 108.800 -0.207 0.000 2.213 210 G HA2 -0.216 3.744 3.960 0.000 0.000 0.236 210 G HA3 -0.216 3.744 3.960 0.000 0.000 0.236 210 G C 0.378 175.337 174.900 0.098 0.000 0.991 210 G CA 0.407 45.449 45.100 -0.096 0.000 0.629 210 G HN 0.607 nan 8.290 nan 0.000 0.517 211 T N -2.614 112.039 114.554 0.166 0.000 2.922 211 T HA 0.714 5.064 4.350 0.000 0.000 0.281 211 T C 1.193 175.913 174.700 0.034 0.000 1.005 211 T CA 0.369 62.611 62.100 0.236 0.000 0.982 211 T CB 1.857 70.855 68.868 0.217 0.000 1.158 211 T HN 2.118 nan 8.240 nan 0.000 0.566 212 G N 0.526 109.097 108.800 -0.380 0.000 2.288 212 G HA2 -0.108 3.852 3.960 0.000 0.000 0.205 212 G HA3 -0.108 3.852 3.960 0.000 0.000 0.205 212 G C -0.393 174.151 174.900 -0.593 0.000 1.071 212 G CA -0.165 44.406 45.100 -0.881 0.000 0.788 212 G HN 0.990 nan 8.290 nan 0.000 0.491 213 D N -0.787 119.142 120.400 -0.786 0.000 2.357 213 D HA 0.324 4.964 4.640 0.000 0.000 0.242 213 D C 1.612 177.610 176.300 -0.502 0.000 1.153 213 D CA 0.180 53.621 54.000 -0.932 0.000 0.918 213 D CB 1.581 41.925 40.800 -0.760 0.000 1.181 213 D HN 0.251 nan 8.370 nan 0.000 0.435 214 V N 2.159 121.779 119.914 -0.490 0.000 2.720 214 V HA -0.197 3.924 4.120 0.000 0.000 0.256 214 V C 1.976 177.801 176.094 -0.447 0.000 1.082 214 V CA 2.641 64.689 62.300 -0.420 0.000 1.101 214 V CB -0.471 31.066 31.823 -0.477 0.000 0.693 214 V HN 0.661 nan 8.190 nan 0.000 0.479 215 S N -1.343 114.089 115.700 -0.448 0.000 2.522 215 S HA -0.003 4.467 4.470 0.000 0.000 0.227 215 S C 0.613 175.170 174.600 -0.071 0.000 0.986 215 S CA 0.119 58.181 58.200 -0.230 0.000 0.929 215 S CB -0.352 62.750 63.200 -0.163 0.000 0.769 215 S HN 0.622 nan 8.310 nan 0.000 0.529 216 D N 2.378 122.705 120.400 -0.122 0.000 2.339 216 D HA 0.282 4.922 4.640 0.000 0.000 0.256 216 D C 0.697 176.982 176.300 -0.024 0.000 1.214 216 D CA 0.122 54.080 54.000 -0.070 0.000 0.877 216 D CB 1.693 42.438 40.800 -0.091 0.000 1.111 216 D HN 0.330 nan 8.370 nan 0.000 0.478 217 V N -0.174 119.729 119.914 -0.018 0.000 3.329 217 V HA 0.526 4.646 4.120 0.000 0.000 0.317 217 V C 0.629 176.689 176.094 -0.057 0.000 1.495 217 V CA 0.190 62.490 62.300 0.001 0.000 1.105 217 V CB 0.075 31.930 31.823 0.052 0.000 0.985 217 V HN 0.690 nan 8.190 nan 0.000 0.475 218 G N 1.056 109.805 108.800 -0.084 0.000 2.746 218 G HA2 0.099 4.059 3.960 0.000 0.000 0.685 218 G HA3 0.099 4.059 3.960 0.000 0.000 0.685 218 G C -1.351 173.412 174.900 -0.229 0.000 1.350 218 G CA -0.292 44.722 45.100 -0.144 0.000 0.837 218 G HN 0.466 nan 8.290 nan 0.000 0.564 219 L N 1.370 122.383 121.223 -0.351 0.000 2.341 219 L HA 0.853 5.193 4.340 0.000 0.000 0.267 219 L C 1.626 178.387 176.870 -0.182 0.000 1.009 219 L CA 1.087 55.717 54.840 -0.350 0.000 0.819 219 L CB 0.504 42.185 42.059 -0.631 0.000 1.323 219 L HN 2.627 nan 8.230 nan 0.000 0.425 220 G N 2.580 111.373 108.800 -0.011 0.000 2.611 220 G HA2 -0.362 3.598 3.960 0.000 0.000 0.301 220 G HA3 -0.362 3.598 3.960 0.000 0.000 0.301 220 G C 0.945 175.892 174.900 0.077 0.000 1.233 220 G CA 0.579 45.749 45.100 0.118 0.000 0.993 220 G HN 0.651 nan 8.290 nan 0.000 0.553 221 K N 1.350 121.826 120.400 0.126 0.000 2.360 221 K HA 0.025 4.345 4.320 0.000 0.000 0.201 221 K C 2.536 179.167 176.600 0.051 0.000 1.046 221 K CA 1.050 57.385 56.287 0.081 0.000 0.945 221 K CB -0.379 32.163 32.500 0.069 0.000 0.750 221 K HN 0.577 nan 8.250 nan 0.000 0.464 222 G N 1.339 110.173 108.800 0.058 0.000 2.813 222 G HA2 -0.150 3.811 3.960 0.000 0.000 0.209 222 G HA3 -0.150 3.811 3.960 0.000 0.000 0.209 222 G C 0.434 175.413 174.900 0.132 0.000 1.150 222 G CA -0.393 44.741 45.100 0.056 0.000 0.785 222 G HN 0.193 nan 8.290 nan 0.000 0.535 223 R N -0.281 120.219 120.500 -0.001 0.000 2.494 223 R HA 0.007 4.347 4.340 0.000 0.000 0.291 223 R C -0.035 176.153 176.300 -0.187 0.000 0.953 223 R CA 0.341 56.292 56.100 -0.249 0.000 1.098 223 R CB -0.427 29.590 30.300 -0.471 0.000 0.911 223 R HN 0.514 nan 8.270 nan 0.000 0.407 224 Y N 0.868 121.178 120.300 0.016 0.000 4.929 224 Y HA -0.342 4.208 4.550 0.001 0.000 0.252 224 Y C -0.156 175.601 175.900 -0.238 0.000 0.950 224 Y CA 0.598 58.636 58.100 -0.103 0.000 1.935 224 Y CB -1.949 36.414 38.460 -0.161 0.000 1.440 224 Y HN 0.676 nan 8.280 nan 0.000 0.567 225 Y N -0.175 120.167 120.300 0.070 0.000 2.555 225 Y HA 0.421 4.971 4.550 0.001 0.000 0.259 225 Y C 0.551 176.430 175.900 -0.035 0.000 1.179 225 Y CA 0.097 58.196 58.100 -0.002 0.000 1.230 225 Y CB 1.036 39.497 38.460 0.002 0.000 1.146 225 Y HN -0.071 nan 8.280 nan 0.000 0.526 226 S N 0.466 116.221 115.700 0.090 0.000 2.519 226 S HA 0.623 5.093 4.470 0.000 0.000 0.309 226 S C -0.622 174.020 174.600 0.070 0.000 1.100 226 S CA -0.676 57.571 58.200 0.079 0.000 1.059 226 S CB 1.850 65.097 63.200 0.078 0.000 1.008 226 S HN -0.125 nan 8.310 nan 0.000 0.478 227 V N 4.157 124.115 119.914 0.074 0.000 2.555 227 V HA 0.561 4.681 4.120 0.000 0.000 0.302 227 V C -0.455 175.691 176.094 0.087 0.000 1.038 227 V CA -0.822 61.515 62.300 0.061 0.000 0.887 227 V CB 1.738 33.585 31.823 0.039 0.000 0.991 227 V HN 0.781 nan 8.190 nan 0.000 0.434 228 N N 2.533 121.253 118.700 0.034 0.000 2.352 228 N HA 0.538 5.278 4.740 0.000 0.000 0.291 228 N C -1.284 174.145 175.510 -0.135 0.000 1.040 228 N CA -0.305 52.759 53.050 0.022 0.000 0.864 228 N CB 2.585 41.060 38.487 -0.019 0.000 1.440 228 N HN 0.381 nan 8.380 nan 0.000 0.483 229 V N 3.567 123.331 119.914 -0.250 0.000 2.289 229 V HA 0.325 4.445 4.120 0.000 0.000 0.272 229 V C -2.195 173.647 176.094 -0.421 0.000 1.026 229 V CA -1.473 60.657 62.300 -0.282 0.000 0.807 229 V CB 1.222 32.916 31.823 -0.214 0.000 1.044 229 V HN 0.474 nan 8.190 nan 0.000 0.443 230 P HA 0.494 nan 4.420 nan 0.000 0.280 230 P C -0.700 176.563 177.300 -0.061 0.000 1.244 230 P CA 0.025 63.004 63.100 -0.202 0.000 0.784 230 P CB 1.695 33.291 31.700 -0.173 0.000 0.913 231 I N 2.082 122.693 120.570 0.069 0.000 2.769 231 I HA 0.282 4.453 4.170 0.000 0.000 0.298 231 I C 0.135 176.354 176.117 0.170 0.000 1.128 231 I CA -1.065 60.275 61.300 0.067 0.000 1.031 231 I CB 2.451 40.459 38.000 0.014 0.000 1.235 231 I HN 0.159 nan 8.210 nan 0.000 0.423 232 Q N 2.377 122.218 119.800 0.069 0.000 2.193 232 Q HA 0.322 4.662 4.340 0.000 0.000 0.246 232 Q C -1.037 175.029 176.000 0.110 0.000 0.959 232 Q CA -0.872 54.977 55.803 0.077 0.000 0.904 232 Q CB 0.991 29.740 28.738 0.019 0.000 1.238 232 Q HN 0.398 nan 8.270 nan 0.000 0.469 233 D N 0.237 120.695 120.400 0.097 0.000 2.601 233 D HA 0.123 4.763 4.640 0.000 0.000 0.229 233 D C 1.020 177.353 176.300 0.054 0.000 1.140 233 D CA 2.049 56.117 54.000 0.112 0.000 0.862 233 D CB 0.266 41.082 40.800 0.027 0.000 1.192 233 D HN 0.772 nan 8.370 nan 0.000 0.480 234 G N 1.564 110.405 108.800 0.069 0.000 2.157 234 G HA2 -0.291 3.669 3.960 0.000 0.000 0.239 234 G HA3 -0.291 3.669 3.960 0.000 0.000 0.239 234 G C 0.517 175.382 174.900 -0.059 0.000 0.982 234 G CA -0.020 45.084 45.100 0.006 0.000 0.650 234 G HN 0.581 nan 8.290 nan 0.000 0.527 235 I N 0.952 121.424 120.570 -0.163 0.000 2.692 235 I HA 0.426 4.596 4.170 0.000 0.000 0.284 235 I C 0.634 176.671 176.117 -0.133 0.000 1.159 235 I CA 0.237 61.408 61.300 -0.214 0.000 1.423 235 I CB 0.528 38.275 38.000 -0.421 0.000 1.380 235 I HN 0.340 nan 8.210 nan 0.000 0.580 236 Q N 4.221 123.975 119.800 -0.075 0.000 2.495 236 Q HA 0.214 4.554 4.340 0.000 0.000 0.283 236 Q C 0.159 176.151 176.000 -0.013 0.000 1.097 236 Q CA -0.904 54.870 55.803 -0.049 0.000 0.836 236 Q CB 1.376 30.090 28.738 -0.040 0.000 1.426 236 Q HN 0.606 nan 8.270 nan 0.000 0.459 237 D N 0.877 121.264 120.400 -0.022 0.000 2.127 237 D HA -0.218 4.422 4.640 0.000 0.000 0.190 237 D C 1.472 177.826 176.300 0.089 0.000 1.000 237 D CA 1.706 55.711 54.000 0.007 0.000 0.839 237 D CB 0.192 40.973 40.800 -0.032 0.000 0.955 237 D HN 0.466 nan 8.370 nan 0.000 0.446 238 E N 0.532 120.766 120.200 0.057 0.000 2.072 238 E HA -0.102 4.248 4.350 0.000 0.000 0.191 238 E C 1.881 178.536 176.600 0.091 0.000 0.985 238 E CA 0.929 57.382 56.400 0.088 0.000 0.801 238 E CB -0.036 29.691 29.700 0.045 0.000 0.750 238 E HN 0.141 nan 8.360 nan 0.000 0.452 239 K N -1.080 119.344 120.400 0.039 0.000 2.148 239 K HA -0.186 4.134 4.320 0.000 0.000 0.204 239 K C 2.048 178.646 176.600 -0.003 0.000 1.050 239 K CA 1.099 57.382 56.287 -0.006 0.000 0.942 239 K CB -0.247 32.228 32.500 -0.042 0.000 0.724 239 K HN 0.185 nan 8.250 nan 0.000 0.446 240 Y N 0.026 120.285 120.300 -0.069 0.000 2.200 240 Y HA -0.284 4.266 4.550 -0.000 0.000 0.290 240 Y C 2.032 177.926 175.900 -0.009 0.000 1.137 240 Y CA 1.883 59.942 58.100 -0.070 0.000 1.163 240 Y CB -0.392 38.026 38.460 -0.069 0.000 0.988 240 Y HN 0.171 nan 8.280 nan 0.000 0.518 241 Y N 0.591 120.966 120.300 0.124 0.000 2.200 241 Y HA -0.283 4.266 4.550 -0.001 0.000 0.290 241 Y C 2.443 178.293 175.900 -0.084 0.000 1.137 241 Y CA 1.914 60.034 58.100 0.033 0.000 1.163 241 Y CB -0.263 38.212 38.460 0.025 0.000 0.988 241 Y HN 0.199 nan 8.280 nan 0.000 0.518 242 Q N 0.322 120.017 119.800 -0.174 0.000 2.077 242 Q HA -0.246 4.094 4.340 0.000 0.000 0.206 242 Q C 2.274 178.095 176.000 -0.298 0.000 0.989 242 Q CA 2.423 58.070 55.803 -0.259 0.000 0.853 242 Q CB -0.285 28.380 28.738 -0.122 0.000 0.907 242 Q HN 0.580 nan 8.270 nan 0.000 0.418 243 I N -0.104 120.308 120.570 -0.262 0.000 2.127 243 I HA -0.343 3.827 4.170 0.000 0.000 0.241 243 I C 2.683 178.610 176.117 -0.316 0.000 1.075 243 I CA 0.982 62.114 61.300 -0.280 0.000 1.334 243 I CB -0.292 37.513 38.000 -0.324 0.000 1.040 243 I HN 0.418 nan 8.210 nan 0.000 0.405 244 C N 0.602 119.677 119.300 -0.375 0.000 2.450 244 C HA -0.112 4.348 4.460 0.000 0.000 0.279 244 C C 2.794 177.567 174.990 -0.361 0.000 1.335 244 C CA 0.916 59.747 59.018 -0.311 0.000 1.749 244 C CB -0.946 26.662 27.740 -0.220 0.000 1.963 244 C HN 0.519 nan 8.230 nan 0.000 0.501 245 E N 0.175 120.002 120.200 -0.623 0.000 2.046 245 E HA -0.164 4.186 4.350 0.000 0.000 0.190 245 E C 2.303 178.598 176.600 -0.508 0.000 0.982 245 E CA 1.308 57.189 56.400 -0.866 0.000 0.800 245 E CB -0.354 28.602 29.700 -1.241 0.000 0.756 245 E HN 0.648 nan 8.360 nan 0.000 0.449 246 S N -0.113 115.368 115.700 -0.366 0.000 2.365 246 S HA -0.146 4.324 4.470 0.000 0.000 0.225 246 S C 2.084 176.613 174.600 -0.118 0.000 1.039 246 S CA 1.615 59.694 58.200 -0.202 0.000 1.033 246 S CB -0.271 62.824 63.200 -0.175 0.000 0.887 246 S HN 0.216 nan 8.310 nan 0.000 0.447 247 V N 1.573 121.413 119.914 -0.123 0.000 2.453 247 V HA -0.014 4.106 4.120 0.000 0.000 0.247 247 V C 2.293 178.408 176.094 0.036 0.000 1.048 247 V CA 1.504 63.775 62.300 -0.048 0.000 1.049 247 V CB -0.560 31.222 31.823 -0.068 0.000 0.672 247 V HN 0.473 nan 8.190 nan 0.000 0.457 248 L N -0.268 120.988 121.223 0.055 0.000 2.341 248 L HA -0.047 4.293 4.340 0.000 0.000 0.214 248 L C 2.438 179.580 176.870 0.453 0.000 1.115 248 L CA 1.021 56.035 54.840 0.289 0.000 0.820 248 L CB -0.407 41.867 42.059 0.359 0.000 0.944 248 L HN 0.313 nan 8.230 nan 0.000 0.452 249 K N 0.260 120.822 120.400 0.270 0.000 2.025 249 K HA -0.153 4.167 4.320 0.000 0.000 0.207 249 K C 1.923 178.675 176.600 0.254 0.000 1.049 249 K CA 1.121 57.614 56.287 0.342 0.000 0.933 249 K CB 0.226 32.832 32.500 0.176 0.000 0.714 249 K HN 0.131 nan 8.250 nan 0.000 0.438 250 E N 0.465 120.751 120.200 0.143 0.000 2.107 250 E HA -0.103 4.247 4.350 0.000 0.000 0.191 250 E C 2.134 178.792 176.600 0.098 0.000 0.982 250 E CA 0.730 57.184 56.400 0.091 0.000 0.809 250 E CB -0.167 29.555 29.700 0.036 0.000 0.756 250 E HN 0.135 nan 8.360 nan 0.000 0.459 251 V N 0.897 120.890 119.914 0.131 0.000 2.407 251 V HA -0.252 3.868 4.120 0.000 0.000 0.248 251 V C 2.184 178.363 176.094 0.142 0.000 1.055 251 V CA 1.583 63.961 62.300 0.128 0.000 1.049 251 V CB -0.580 31.329 31.823 0.143 0.000 0.662 251 V HN 0.221 nan 8.190 nan 0.000 0.455 252 Y N 0.572 120.874 120.300 0.003 0.000 2.293 252 Y HA -0.244 4.306 4.550 0.000 0.000 0.291 252 Y C 2.575 178.399 175.900 -0.126 0.000 1.137 252 Y CA 2.085 60.061 58.100 -0.207 0.000 1.202 252 Y CB -0.087 38.170 38.460 -0.338 0.000 0.990 252 Y HN 0.262 nan 8.280 nan 0.000 0.537 253 Q N -0.301 119.504 119.800 0.009 0.000 2.049 253 Q HA -0.069 4.271 4.340 0.000 0.000 0.198 253 Q C 2.412 178.354 176.000 -0.097 0.000 0.971 253 Q CA 1.912 57.684 55.803 -0.053 0.000 0.833 253 Q CB -0.408 28.349 28.738 0.031 0.000 0.896 253 Q HN 0.525 nan 8.270 nan 0.000 0.434 254 A N -0.627 122.175 122.820 -0.030 0.000 1.840 254 A HA -0.114 4.206 4.320 0.000 0.000 0.214 254 A C 1.865 179.465 177.584 0.027 0.000 1.198 254 A CA 1.180 53.214 52.037 -0.006 0.000 0.608 254 A CB -0.833 18.173 19.000 0.010 0.000 0.839 254 A HN 0.504 nan 8.150 nan 0.000 0.443 255 F N 0.705 120.593 119.950 -0.104 0.000 2.293 255 F HA 0.069 4.596 4.527 -0.000 0.000 0.297 255 F C 0.908 176.621 175.800 -0.146 0.000 1.089 255 F CA 0.854 58.818 58.000 -0.060 0.000 1.377 255 F CB -0.178 38.813 39.000 -0.015 0.000 1.051 255 F HN 0.468 nan 8.300 nan 0.000 0.511 256 N N 1.629 120.104 118.700 -0.375 0.000 2.629 256 N HA -0.155 4.585 4.740 0.000 0.000 0.278 256 N C -2.712 172.454 175.510 -0.573 0.000 1.102 256 N CA 0.198 52.892 53.050 -0.595 0.000 0.759 256 N CB -0.552 37.658 38.487 -0.461 0.000 0.911 256 N HN 0.133 nan 8.380 nan 0.000 0.553 257 P HA 0.185 nan 4.420 nan 0.000 0.279 257 P C 0.097 177.304 177.300 -0.155 0.000 1.252 257 P CA -0.346 62.609 63.100 -0.242 0.000 0.811 257 P CB 0.878 32.639 31.700 0.102 0.000 1.035 258 K N -0.331 120.025 120.400 -0.074 0.000 2.354 258 K HA 0.426 4.746 4.320 0.000 0.000 0.194 258 K C 0.628 177.153 176.600 -0.125 0.000 1.045 258 K CA 0.215 56.505 56.287 0.004 0.000 1.026 258 K CB 0.747 33.342 32.500 0.157 0.000 0.866 258 K HN 0.581 nan 8.250 nan 0.000 0.530 259 A N 0.663 123.374 122.820 -0.181 0.000 2.594 259 A HA 0.626 4.946 4.320 0.000 0.000 0.295 259 A C -1.273 176.255 177.584 -0.094 0.000 1.071 259 A CA -0.604 51.218 52.037 -0.359 0.000 0.685 259 A CB 1.778 20.276 19.000 -0.837 0.000 1.285 259 A HN -0.122 nan 8.150 nan 0.000 0.405 260 V N 0.888 120.766 119.914 -0.061 0.000 2.588 260 V HA 0.576 4.696 4.120 0.000 0.000 0.304 260 V C -0.590 175.509 176.094 0.009 0.000 1.042 260 V CA -0.637 61.695 62.300 0.052 0.000 0.877 260 V CB 1.684 33.604 31.823 0.162 0.000 0.996 260 V HN 0.720 nan 8.190 nan 0.000 0.425 261 V N 5.627 125.571 119.914 0.049 0.000 2.417 261 V HA 0.525 4.645 4.120 0.000 0.000 0.291 261 V C -0.602 175.479 176.094 -0.020 0.000 1.024 261 V CA -0.510 61.824 62.300 0.057 0.000 0.861 261 V CB 1.588 33.522 31.823 0.185 0.000 0.985 261 V HN 0.643 nan 8.190 nan 0.000 0.436 262 L N 4.943 126.120 121.223 -0.076 0.000 2.372 262 L HA 0.527 4.867 4.340 0.000 0.000 0.273 262 L C -0.434 176.349 176.870 -0.146 0.000 0.989 262 L CA 0.071 54.828 54.840 -0.137 0.000 0.841 262 L CB 1.607 43.619 42.059 -0.079 0.000 1.225 262 L HN 0.660 nan 8.230 nan 0.000 0.414 263 Q N 5.186 124.860 119.800 -0.209 0.000 2.278 263 Q HA 0.427 4.767 4.340 0.000 0.000 0.257 263 Q C -1.025 174.931 176.000 -0.074 0.000 0.928 263 Q CA -0.283 55.426 55.803 -0.157 0.000 0.932 263 Q CB 1.457 30.080 28.738 -0.193 0.000 1.221 263 Q HN 0.860 nan 8.270 nan 0.000 0.434 264 L N 3.192 124.413 121.223 -0.003 0.000 3.186 264 L HA 0.332 4.672 4.340 0.000 0.000 0.292 264 L C 0.835 177.879 176.870 0.290 0.000 1.303 264 L CA -0.719 54.210 54.840 0.148 0.000 0.940 264 L CB 0.926 43.121 42.059 0.227 0.000 1.358 264 L HN 0.687 nan 8.230 nan 0.000 0.581 265 G N 0.568 109.474 108.800 0.176 0.000 2.093 265 G HA2 0.069 4.029 3.960 0.000 0.000 0.250 265 G HA3 0.069 4.029 3.960 0.000 0.000 0.250 265 G C 0.941 175.986 174.900 0.242 0.000 1.056 265 G CA 0.516 45.758 45.100 0.237 0.000 0.916 265 G HN 0.534 nan 8.290 nan 0.000 0.421 266 A N 2.377 125.307 122.820 0.184 0.000 2.302 266 A HA 0.175 4.495 4.320 0.000 0.000 0.219 266 A C 1.663 179.208 177.584 -0.065 0.000 1.243 266 A CA 0.856 52.860 52.037 -0.055 0.000 0.856 266 A CB 0.021 18.727 19.000 -0.489 0.000 0.893 266 A HN 0.667 nan 8.150 nan 0.000 0.491 267 D N -0.623 119.799 120.400 0.036 0.000 2.352 267 D HA -0.101 4.540 4.640 0.000 0.000 0.232 267 D C 1.288 177.656 176.300 0.112 0.000 1.055 267 D CA 1.202 55.272 54.000 0.117 0.000 0.891 267 D CB -0.967 40.021 40.800 0.313 0.000 0.897 267 D HN 0.382 nan 8.370 nan 0.000 0.529 268 T N -2.465 112.138 114.554 0.082 0.000 3.100 268 T HA 0.125 4.475 4.350 0.000 0.000 0.253 268 T C 0.925 175.681 174.700 0.094 0.000 1.118 268 T CA -0.379 61.790 62.100 0.115 0.000 1.058 268 T CB -0.051 68.934 68.868 0.196 0.000 0.953 268 T HN -0.005 nan 8.240 nan 0.000 0.515 269 I N 2.697 123.278 120.570 0.017 0.000 2.441 269 I HA 0.438 4.608 4.170 0.000 0.000 0.287 269 I C 1.127 177.235 176.117 -0.016 0.000 1.049 269 I CA -1.331 59.950 61.300 -0.032 0.000 1.381 269 I CB 0.025 37.968 38.000 -0.095 0.000 1.409 269 I HN 0.285 nan 8.210 nan 0.000 0.523 270 A N 4.789 127.597 122.820 -0.020 0.000 2.608 270 A HA 0.286 4.606 4.320 0.000 0.000 0.239 270 A C 1.388 178.952 177.584 -0.032 0.000 1.018 270 A CA 0.935 52.961 52.037 -0.018 0.000 0.766 270 A CB -0.523 18.457 19.000 -0.034 0.000 0.928 270 A HN 1.470 nan 8.150 nan 0.000 0.512 271 G N 1.303 110.092 108.800 -0.018 0.000 2.176 271 G HA2 -0.223 3.737 3.960 0.000 0.000 0.253 271 G HA3 -0.223 3.737 3.960 0.000 0.000 0.253 271 G C 0.138 175.031 174.900 -0.013 0.000 0.979 271 G CA 0.394 45.478 45.100 -0.027 0.000 0.641 271 G HN 1.101 nan 8.290 nan 0.000 0.530 272 D N 1.072 121.479 120.400 0.012 0.000 2.424 272 D HA 0.243 4.883 4.640 0.000 0.000 0.244 272 D C -0.457 175.893 176.300 0.083 0.000 1.134 272 D CA -1.024 53.011 54.000 0.059 0.000 0.881 272 D CB 1.243 42.102 40.800 0.098 0.000 1.191 272 D HN 0.078 nan 8.370 nan 0.000 0.445 273 P HA -0.129 nan 4.420 nan 0.000 0.218 273 P C 1.438 178.792 177.300 0.091 0.000 1.146 273 P CA 1.212 64.361 63.100 0.082 0.000 0.813 273 P CB 0.138 31.889 31.700 0.085 0.000 0.778 274 M N -2.540 117.146 119.600 0.143 0.000 2.476 274 M HA -0.014 4.467 4.480 0.000 0.000 0.262 274 M C 0.783 177.153 176.300 0.116 0.000 1.079 274 M CA 0.475 55.870 55.300 0.159 0.000 1.104 274 M CB -0.769 31.987 32.600 0.261 0.000 1.409 274 M HN -0.091 nan 8.290 nan 0.000 0.467 275 C N 1.300 120.654 119.300 0.090 0.000 4.167 275 C HA -0.201 4.259 4.460 0.000 0.000 0.302 275 C C 1.340 176.361 174.990 0.052 0.000 1.384 275 C CA 0.550 59.605 59.018 0.061 0.000 2.041 275 C CB -2.011 25.757 27.740 0.047 0.000 1.303 275 C HN 0.706 nan 8.230 nan 0.000 0.718 276 S N -1.158 114.575 115.700 0.056 0.000 3.214 276 S HA 0.432 4.902 4.470 0.000 0.000 0.182 276 S C 0.499 175.223 174.600 0.207 0.000 0.728 276 S CA 0.049 58.270 58.200 0.033 0.000 0.814 276 S CB -0.121 62.991 63.200 -0.147 0.000 0.859 276 S HN 0.587 nan 8.310 nan 0.000 0.647 277 F N 2.142 122.082 119.950 -0.017 0.000 2.426 277 F HA 0.282 4.810 4.527 0.001 0.000 0.309 277 F C 1.055 176.845 175.800 -0.017 0.000 1.246 277 F CA -0.272 57.724 58.000 -0.006 0.000 1.229 277 F CB 0.333 39.342 39.000 0.015 0.000 1.255 277 F HN 0.215 nan 8.300 nan 0.000 0.558 278 N N 1.194 119.979 118.700 0.141 0.000 2.588 278 N HA 0.143 4.883 4.740 0.000 0.000 0.298 278 N C -0.952 174.549 175.510 -0.014 0.000 1.718 278 N CA -0.121 52.954 53.050 0.042 0.000 0.888 278 N CB 0.169 38.664 38.487 0.014 0.000 1.389 278 N HN 0.308 nan 8.380 nan 0.000 0.491 279 M N 0.158 119.744 119.600 -0.022 0.000 2.283 279 M HA 0.356 4.836 4.480 0.000 0.000 0.314 279 M C 0.842 177.083 176.300 -0.098 0.000 1.153 279 M CA -0.196 55.047 55.300 -0.096 0.000 1.084 279 M CB 0.857 33.353 32.600 -0.173 0.000 1.468 279 M HN 0.302 nan 8.290 nan 0.000 0.474 280 T N -2.471 112.006 114.554 -0.128 0.000 2.930 280 T HA 0.519 4.869 4.350 0.000 0.000 0.290 280 T C -2.363 172.228 174.700 -0.182 0.000 1.052 280 T CA -1.770 60.237 62.100 -0.154 0.000 1.017 280 T CB 1.809 70.577 68.868 -0.167 0.000 1.137 280 T HN 0.280 nan 8.240 nan 0.000 0.511 281 P HA -0.065 nan 4.420 nan 0.000 0.219 281 P C 1.684 178.824 177.300 -0.267 0.000 1.146 281 P CA 0.489 63.457 63.100 -0.220 0.000 0.808 281 P CB -0.161 31.349 31.700 -0.317 0.000 0.779 282 V N -0.212 119.445 119.914 -0.428 0.000 2.343 282 V HA -0.184 3.936 4.120 0.000 0.000 0.247 282 V C 2.550 178.595 176.094 -0.083 0.000 1.051 282 V CA 2.507 64.644 62.300 -0.272 0.000 1.036 282 V CB -1.817 29.852 31.823 -0.258 0.000 0.654 282 V HN 0.192 nan 8.190 nan 0.000 0.451 283 G N -0.217 108.521 108.800 -0.103 0.000 2.408 283 G HA2 -0.125 3.835 3.960 0.000 0.000 0.215 283 G HA3 -0.125 3.835 3.960 0.000 0.000 0.215 283 G C 1.456 176.346 174.900 -0.016 0.000 1.156 283 G CA 0.465 45.526 45.100 -0.065 0.000 0.793 283 G HN 0.362 nan 8.290 nan 0.000 0.535 284 I N 2.105 122.652 120.570 -0.038 0.000 2.286 284 I HA -0.075 4.095 4.170 0.000 0.000 0.248 284 I C 3.006 179.184 176.117 0.101 0.000 1.115 284 I CA 1.224 62.541 61.300 0.030 0.000 1.392 284 I CB -1.510 36.507 38.000 0.028 0.000 1.065 284 I HN 0.217 nan 8.210 nan 0.000 0.418 285 G N 1.133 110.012 108.800 0.131 0.000 2.440 285 G HA2 -0.260 3.700 3.960 0.000 0.000 0.218 285 G HA3 -0.260 3.700 3.960 0.000 0.000 0.218 285 G C 1.799 176.725 174.900 0.043 0.000 1.154 285 G CA 0.530 45.729 45.100 0.164 0.000 0.767 285 G HN 0.364 nan 8.290 nan 0.000 0.552 286 K N -0.339 120.031 120.400 -0.050 0.000 2.097 286 K HA -0.067 4.253 4.320 0.000 0.000 0.206 286 K C 2.643 179.232 176.600 -0.019 0.000 1.049 286 K CA 1.115 57.264 56.287 -0.231 0.000 0.933 286 K CB -0.367 31.697 32.500 -0.727 0.000 0.717 286 K HN 0.361 nan 8.250 nan 0.000 0.442 287 C N 0.945 120.341 119.300 0.161 0.000 2.432 287 C HA -0.113 4.348 4.460 0.000 0.000 0.277 287 C C 2.560 177.623 174.990 0.123 0.000 1.249 287 C CA 0.223 59.400 59.018 0.265 0.000 1.725 287 C CB -0.844 27.062 27.740 0.276 0.000 2.028 287 C HN 0.459 nan 8.230 nan 0.000 0.477 288 L N 1.654 122.921 121.223 0.073 0.000 2.012 288 L HA -0.164 4.177 4.340 0.000 0.000 0.210 288 L C 2.404 179.238 176.870 -0.060 0.000 1.073 288 L CA 1.950 56.795 54.840 0.009 0.000 0.748 288 L CB -0.845 41.238 42.059 0.039 0.000 0.891 288 L HN 0.269 nan 8.230 nan 0.000 0.431 289 K N -1.851 118.524 120.400 -0.042 0.000 2.097 289 K HA -0.238 4.082 4.320 0.000 0.000 0.206 289 K C 2.160 178.677 176.600 -0.139 0.000 1.049 289 K CA 1.800 58.037 56.287 -0.084 0.000 0.933 289 K CB -0.419 32.045 32.500 -0.061 0.000 0.717 289 K HN 0.406 nan 8.250 nan 0.000 0.442 290 Y N 1.227 121.409 120.300 -0.198 0.000 2.224 290 Y HA -0.162 4.388 4.550 0.000 0.000 0.289 290 Y C 1.751 177.173 175.900 -0.796 0.000 1.146 290 Y CA 1.317 59.230 58.100 -0.313 0.000 1.182 290 Y CB 0.033 38.426 38.460 -0.111 0.000 0.983 290 Y HN -0.039 nan 8.280 nan 0.000 0.524 291 I N -0.771 119.387 120.570 -0.688 0.000 2.353 291 I HA -0.273 3.897 4.170 0.000 0.000 0.248 291 I C 2.061 177.755 176.117 -0.706 0.000 1.119 291 I CA 0.912 61.554 61.300 -1.096 0.000 1.417 291 I CB -0.262 37.439 38.000 -0.498 0.000 1.078 291 I HN 0.195 nan 8.210 nan 0.000 0.421 292 L N 0.385 121.369 121.223 -0.398 0.000 2.156 292 L HA -0.193 4.147 4.340 0.000 0.000 0.208 292 L C 2.684 179.418 176.870 -0.226 0.000 1.095 292 L CA 0.996 55.702 54.840 -0.222 0.000 0.770 292 L CB -0.667 41.303 42.059 -0.150 0.000 0.914 292 L HN 0.371 nan 8.230 nan 0.000 0.439 293 Q N 0.124 119.714 119.800 -0.350 0.000 2.248 293 Q HA -0.254 4.087 4.340 0.000 0.000 0.208 293 Q C 1.810 177.707 176.000 -0.172 0.000 0.984 293 Q CA 1.762 57.391 55.803 -0.289 0.000 0.875 293 Q CB -0.176 28.332 28.738 -0.384 0.000 0.910 293 Q HN 0.537 nan 8.270 nan 0.000 0.433 294 W N 0.558 121.686 121.300 -0.287 0.000 2.465 294 W HA -0.017 4.643 4.660 -0.000 0.000 0.268 294 W C 0.722 177.188 176.519 -0.088 0.000 1.242 294 W CA 0.811 58.008 57.345 -0.246 0.000 1.248 294 W CB -0.555 28.751 29.460 -0.257 0.000 1.118 294 W HN 0.373 nan 8.180 nan 0.000 0.587 295 Q N -0.955 118.918 119.800 0.121 0.000 2.468 295 Q HA -0.200 4.141 4.340 0.000 0.000 0.289 295 Q C -0.361 175.696 176.000 0.096 0.000 1.299 295 Q CA 0.379 56.225 55.803 0.073 0.000 0.838 295 Q CB -1.905 26.863 28.738 0.050 0.000 1.195 295 Q HN 0.186 nan 8.270 nan 0.000 0.456 296 L N -0.588 120.709 121.223 0.124 0.000 2.358 296 L HA 0.752 5.092 4.340 0.000 0.000 0.268 296 L C 0.703 177.572 176.870 -0.002 0.000 1.032 296 L CA -0.709 54.175 54.840 0.074 0.000 0.805 296 L CB 0.855 42.980 42.059 0.111 0.000 1.253 296 L HN 0.220 nan 8.230 nan 0.000 0.452 297 A N 0.762 123.522 122.820 -0.100 0.000 2.524 297 A HA 0.399 4.719 4.320 0.000 0.000 0.250 297 A C -0.146 177.339 177.584 -0.165 0.000 1.078 297 A CA 0.356 52.295 52.037 -0.164 0.000 0.761 297 A CB -0.370 18.417 19.000 -0.355 0.000 1.012 297 A HN 0.636 nan 8.150 nan 0.000 0.500 298 T N 3.607 118.101 114.554 -0.099 0.000 2.937 298 T HA 0.426 4.776 4.350 0.000 0.000 0.297 298 T C -0.968 173.676 174.700 -0.092 0.000 0.991 298 T CA -0.328 61.726 62.100 -0.076 0.000 0.990 298 T CB 0.992 69.830 68.868 -0.050 0.000 0.991 298 T HN 0.605 nan 8.240 nan 0.000 0.440 299 L N 5.769 126.938 121.223 -0.091 0.000 2.262 299 L HA 0.569 4.910 4.340 0.000 0.000 0.288 299 L C -0.917 175.868 176.870 -0.141 0.000 1.035 299 L CA -0.865 53.911 54.840 -0.106 0.000 0.820 299 L CB 0.107 42.125 42.059 -0.069 0.000 1.204 299 L HN 0.494 nan 8.230 nan 0.000 0.424 300 I N 6.657 127.089 120.570 -0.231 0.000 2.342 300 I HA 0.352 4.522 4.170 0.000 0.000 0.291 300 I C -0.036 175.829 176.117 -0.420 0.000 1.010 300 I CA -0.288 60.808 61.300 -0.340 0.000 1.308 300 I CB 1.055 38.747 38.000 -0.514 0.000 1.400 300 I HN 0.566 nan 8.210 nan 0.000 0.488 301 L N 4.491 125.519 121.223 -0.324 0.000 2.354 301 L HA 0.663 5.003 4.340 0.000 0.000 0.264 301 L C 0.939 177.642 176.870 -0.278 0.000 1.008 301 L CA -0.627 54.038 54.840 -0.291 0.000 0.819 301 L CB 2.119 44.075 42.059 -0.171 0.000 1.339 301 L HN 0.672 nan 8.230 nan 0.000 0.420 302 G N -0.213 108.378 108.800 -0.349 0.000 2.803 302 G HA2 0.657 4.617 3.960 0.000 0.000 0.177 302 G HA3 0.657 4.617 3.960 0.000 0.000 0.177 302 G C 0.122 174.824 174.900 -0.331 0.000 1.629 302 G CA 0.386 45.136 45.100 -0.583 0.000 1.077 302 G HN 0.970 nan 8.290 nan 0.000 0.556 303 G N -2.242 106.406 108.800 -0.254 0.000 2.534 303 G HA2 0.524 4.484 3.960 0.000 0.000 0.142 303 G HA3 0.524 4.484 3.960 0.000 0.000 0.142 303 G C 0.343 175.113 174.900 -0.216 0.000 1.178 303 G CA 0.271 45.102 45.100 -0.449 0.000 1.037 303 G HN 1.397 nan 8.290 nan 0.000 0.474 304 G N -0.841 107.940 108.800 -0.031 0.000 2.690 304 G HA2 0.650 4.610 3.960 0.000 0.000 0.239 304 G HA3 0.650 4.610 3.960 0.000 0.000 0.239 304 G C 0.599 175.383 174.900 -0.192 0.000 1.233 304 G CA 0.897 45.998 45.100 0.001 0.000 0.847 304 G HN 2.176 nan 8.290 nan 0.000 0.588 305 G N -0.908 107.459 108.800 -0.721 0.000 2.163 305 G HA2 0.214 4.174 3.960 0.000 0.000 0.191 305 G HA3 0.214 4.174 3.960 0.000 0.000 0.191 305 G C -0.601 173.867 174.900 -0.721 0.000 1.517 305 G CA -0.574 44.179 45.100 -0.580 0.000 1.024 305 G HN 0.655 nan 8.290 nan 0.000 0.664 306 Y N 1.156 121.459 120.300 0.004 0.000 2.527 306 Y HA 0.348 4.898 4.550 0.000 0.000 0.247 306 Y C 1.261 177.135 175.900 -0.042 0.000 1.138 306 Y CA -0.590 57.517 58.100 0.013 0.000 1.228 306 Y CB 1.124 39.627 38.460 0.072 0.000 1.252 306 Y HN 0.490 nan 8.280 nan 0.000 0.531 307 N N 1.981 120.680 118.700 -0.002 0.000 2.500 307 N HA 0.142 4.882 4.740 0.000 0.000 0.236 307 N C 0.678 176.085 175.510 -0.173 0.000 1.022 307 N CA 0.178 53.183 53.050 -0.076 0.000 0.935 307 N CB 0.700 39.138 38.487 -0.083 0.000 1.147 307 N HN 0.349 nan 8.380 nan 0.000 0.512 308 L N 2.562 123.685 121.223 -0.167 0.000 2.017 308 L HA -0.136 4.204 4.340 0.000 0.000 0.208 308 L C 2.331 179.032 176.870 -0.282 0.000 1.073 308 L CA 1.414 56.125 54.840 -0.215 0.000 0.745 308 L CB -0.560 41.396 42.059 -0.171 0.000 0.894 308 L HN 0.516 nan 8.230 nan 0.000 0.432 309 A N 0.267 122.885 122.820 -0.335 0.000 1.902 309 A HA -0.202 4.118 4.320 0.000 0.000 0.217 309 A C 2.031 179.442 177.584 -0.287 0.000 1.181 309 A CA 1.932 53.673 52.037 -0.492 0.000 0.623 309 A CB -0.552 17.954 19.000 -0.823 0.000 0.818 309 A HN 0.401 nan 8.150 nan 0.000 0.443 310 N N -0.487 118.059 118.700 -0.257 0.000 2.270 310 N HA -0.068 4.672 4.740 0.000 0.000 0.181 310 N C 1.667 176.992 175.510 -0.309 0.000 1.016 310 N CA 1.691 54.614 53.050 -0.213 0.000 0.870 310 N CB -0.562 37.813 38.487 -0.186 0.000 0.979 310 N HN 0.475 nan 8.380 nan 0.000 0.431 311 T N 0.343 114.640 114.554 -0.430 0.000 2.737 311 T HA -0.030 4.321 4.350 0.000 0.000 0.265 311 T C 1.915 176.159 174.700 -0.760 0.000 1.038 311 T CA 1.284 62.919 62.100 -0.775 0.000 1.144 311 T CB -0.341 67.999 68.868 -0.880 0.000 0.866 311 T HN 0.302 nan 8.240 nan 0.000 0.434 312 A N 1.907 124.488 122.820 -0.397 0.000 1.883 312 A HA -0.153 4.168 4.320 0.000 0.000 0.217 312 A C 2.360 179.884 177.584 -0.099 0.000 1.186 312 A CA 1.552 53.488 52.037 -0.168 0.000 0.624 312 A CB -0.549 18.477 19.000 0.043 0.000 0.822 312 A HN 0.407 nan 8.150 nan 0.000 0.444 313 R N -1.216 119.263 120.500 -0.034 0.000 2.091 313 R HA -0.193 4.147 4.340 0.000 0.000 0.238 313 R C 2.413 178.662 176.300 -0.084 0.000 1.136 313 R CA 1.576 57.672 56.100 -0.006 0.000 0.959 313 R CB -0.933 29.374 30.300 0.012 0.000 0.856 313 R HN 0.701 nan 8.270 nan 0.000 0.437 314 C N -0.294 118.885 119.300 -0.201 0.000 2.453 314 C HA -0.066 4.394 4.460 0.000 0.000 0.277 314 C C 2.132 177.097 174.990 -0.043 0.000 1.262 314 C CA 0.210 59.130 59.018 -0.164 0.000 1.718 314 C CB -0.919 26.638 27.740 -0.304 0.000 2.031 314 C HN 0.618 nan 8.230 nan 0.000 0.480 315 W N 0.849 121.917 121.300 -0.386 0.000 2.678 315 W HA 0.154 4.813 4.660 -0.000 0.000 0.256 315 W C 2.507 178.744 176.519 -0.470 0.000 1.280 315 W CA 0.943 57.807 57.345 -0.802 0.000 1.345 315 W CB -1.618 26.916 29.460 -1.544 0.000 1.118 315 W HN 0.333 nan 8.180 nan 0.000 0.629 316 T N -0.444 114.072 114.554 -0.064 0.000 2.809 316 T HA -0.205 4.145 4.350 0.000 0.000 0.260 316 T C 1.507 176.168 174.700 -0.066 0.000 1.039 316 T CA 1.322 63.388 62.100 -0.056 0.000 1.141 316 T CB -0.602 68.206 68.868 -0.101 0.000 0.869 316 T HN 0.093 nan 8.240 nan 0.000 0.437 317 Y N 2.080 122.292 120.300 -0.147 0.000 2.097 317 Y HA -0.112 4.438 4.550 -0.000 0.000 0.282 317 Y C 1.952 177.832 175.900 -0.033 0.000 1.152 317 Y CA 1.332 59.357 58.100 -0.126 0.000 1.136 317 Y CB -0.539 37.855 38.460 -0.110 0.000 0.975 317 Y HN 0.104 nan 8.280 nan 0.000 0.498 318 L N -0.812 120.468 121.223 0.095 0.000 2.191 318 L HA -0.211 4.129 4.340 0.000 0.000 0.212 318 L C 2.256 179.203 176.870 0.128 0.000 1.103 318 L CA 1.575 56.480 54.840 0.109 0.000 0.769 318 L CB -0.919 41.331 42.059 0.318 0.000 0.908 318 L HN 0.247 nan 8.230 nan 0.000 0.438 319 T N -0.141 114.539 114.554 0.209 0.000 2.777 319 T HA -0.115 4.235 4.350 0.000 0.000 0.266 319 T C 1.941 176.624 174.700 -0.027 0.000 1.040 319 T CA 1.326 63.536 62.100 0.183 0.000 1.141 319 T CB -0.507 68.514 68.868 0.256 0.000 0.868 319 T HN 0.561 nan 8.240 nan 0.000 0.444 320 G N 1.284 109.998 108.800 -0.143 0.000 2.469 320 G HA2 -0.205 3.755 3.960 0.000 0.000 0.220 320 G HA3 -0.205 3.755 3.960 0.000 0.000 0.220 320 G C 1.791 176.542 174.900 -0.249 0.000 1.136 320 G CA 1.260 46.224 45.100 -0.227 0.000 0.759 320 G HN 0.540 nan 8.290 nan 0.000 0.562 321 V N -0.365 119.363 119.914 -0.310 0.000 2.649 321 V HA 0.090 4.210 4.120 0.000 0.000 0.248 321 V C 2.542 178.553 176.094 -0.138 0.000 1.054 321 V CA 1.133 63.279 62.300 -0.256 0.000 1.073 321 V CB -0.299 31.349 31.823 -0.291 0.000 0.699 321 V HN 0.377 nan 8.190 nan 0.000 0.463 322 I N 0.456 120.969 120.570 -0.095 0.000 2.163 322 I HA -0.232 3.938 4.170 0.000 0.000 0.243 322 I C 2.135 178.210 176.117 -0.069 0.000 1.085 322 I CA 2.067 63.327 61.300 -0.067 0.000 1.347 322 I CB -0.205 37.770 38.000 -0.041 0.000 1.044 322 I HN 0.296 nan 8.210 nan 0.000 0.408 323 L N 0.541 121.719 121.223 -0.075 0.000 2.627 323 L HA 0.200 4.540 4.340 0.000 0.000 0.232 323 L C 1.620 178.446 176.870 -0.073 0.000 1.150 323 L CA 0.342 55.142 54.840 -0.067 0.000 0.917 323 L CB -0.595 41.424 42.059 -0.065 0.000 1.104 323 L HN 0.461 nan 8.230 nan 0.000 0.445 324 G N 0.090 108.837 108.800 -0.088 0.000 2.225 324 G HA2 -0.300 3.660 3.960 0.000 0.000 0.272 324 G HA3 -0.300 3.660 3.960 0.000 0.000 0.272 324 G C 0.441 175.292 174.900 -0.082 0.000 0.996 324 G CA 0.401 45.451 45.100 -0.084 0.000 0.710 324 G HN 0.292 nan 8.290 nan 0.000 0.522 325 K N 0.788 121.132 120.400 -0.093 0.000 2.218 325 K HA 0.472 4.792 4.320 0.000 0.000 0.276 325 K C 0.676 177.216 176.600 -0.100 0.000 1.022 325 K CA 0.288 56.527 56.287 -0.080 0.000 0.946 325 K CB 1.333 33.790 32.500 -0.071 0.000 1.000 325 K HN 0.389 nan 8.250 nan 0.000 0.468 326 T N 0.991 115.509 114.554 -0.060 0.000 2.829 326 T HA 0.531 4.881 4.350 0.000 0.000 0.282 326 T C 0.092 174.781 174.700 -0.019 0.000 0.990 326 T CA -0.843 61.230 62.100 -0.045 0.000 1.028 326 T CB 0.392 69.254 68.868 -0.010 0.000 0.951 326 T HN 0.345 nan 8.240 nan 0.000 0.460 327 L N 3.420 124.634 121.223 -0.016 0.000 2.344 327 L HA 0.543 4.883 4.340 0.000 0.000 0.272 327 L C 0.916 177.851 176.870 0.109 0.000 1.035 327 L CA -1.239 53.612 54.840 0.019 0.000 0.807 327 L CB 1.867 43.807 42.059 -0.198 0.000 1.237 327 L HN 0.908 nan 8.230 nan 0.000 0.442 328 S N -0.335 115.493 115.700 0.212 0.000 2.564 328 S HA 0.034 4.504 4.470 0.000 0.000 0.278 328 S C 1.037 175.767 174.600 0.216 0.000 1.333 328 S CA -0.268 58.038 58.200 0.176 0.000 1.048 328 S CB 1.573 64.853 63.200 0.132 0.000 0.900 328 S HN 0.686 nan 8.310 nan 0.000 0.505 329 S N 0.891 116.672 115.700 0.136 0.000 2.382 329 S HA -0.161 4.309 4.470 0.000 0.000 0.228 329 S C 0.872 175.561 174.600 0.147 0.000 1.027 329 S CA 1.122 59.396 58.200 0.123 0.000 0.991 329 S CB -0.702 62.546 63.200 0.079 0.000 0.823 329 S HN 0.909 nan 8.310 nan 0.000 0.469 330 E N 1.551 121.827 120.200 0.128 0.000 2.299 330 E HA 0.048 4.398 4.350 0.000 0.000 0.272 330 E C -0.477 176.188 176.600 0.108 0.000 1.043 330 E CA -0.466 56.007 56.400 0.121 0.000 0.895 330 E CB 0.294 30.040 29.700 0.076 0.000 1.011 330 E HN 0.243 nan 8.360 nan 0.000 0.432 331 I N 6.779 127.447 120.570 0.162 0.000 2.517 331 I HA 0.092 4.262 4.170 0.000 0.000 0.285 331 I C -1.916 174.265 176.117 0.106 0.000 1.106 331 I CA -2.038 59.317 61.300 0.092 0.000 1.402 331 I CB 0.037 38.080 38.000 0.072 0.000 1.399 331 I HN 0.501 nan 8.210 nan 0.000 0.535 332 P HA 0.046 nan 4.420 nan 0.000 0.269 332 P C -0.226 177.083 177.300 0.016 0.000 1.215 332 P CA -0.295 62.703 63.100 -0.169 0.000 0.780 332 P CB 0.568 32.057 31.700 -0.353 0.000 0.898 333 D N 1.722 121.967 120.400 -0.259 0.000 2.423 333 D HA 0.085 4.725 4.640 0.000 0.000 0.238 333 D C 0.111 176.453 176.300 0.071 0.000 1.142 333 D CA 1.105 54.886 54.000 -0.365 0.000 0.884 333 D CB 0.224 40.706 40.800 -0.529 0.000 1.199 333 D HN 0.580 nan 8.370 nan 0.000 0.438 334 H N 0.334 119.391 119.070 -0.021 0.000 2.831 334 H HA 0.032 4.588 4.556 0.000 0.000 0.263 334 H C 0.391 175.763 175.328 0.074 0.000 1.457 334 H CA -0.443 55.620 56.048 0.026 0.000 1.130 334 H CB 0.058 29.849 29.762 0.049 0.000 1.789 334 H HN 0.313 nan 8.280 nan 0.000 0.511 335 E N 0.661 120.749 120.200 -0.186 0.000 2.171 335 E HA -0.081 4.269 4.350 0.000 0.000 0.197 335 E C 0.289 176.506 176.600 -0.637 0.000 0.997 335 E CA 2.106 58.273 56.400 -0.389 0.000 0.810 335 E CB -0.273 29.186 29.700 -0.402 0.000 0.738 335 E HN 0.407 nan 8.360 nan 0.000 0.467 336 F N -1.116 118.556 119.950 -0.463 0.000 2.668 336 F HA 0.243 4.770 4.527 0.000 0.000 0.301 336 F C 0.932 176.738 175.800 0.010 0.000 1.106 336 F CA -0.532 57.387 58.000 -0.134 0.000 1.289 336 F CB -0.199 38.879 39.000 0.130 0.000 1.006 336 F HN -0.017 nan 8.300 nan 0.000 0.535 337 F N 1.608 121.449 119.950 -0.182 0.000 2.120 337 F HA -0.297 4.230 4.527 0.000 0.000 0.300 337 F C 2.628 178.655 175.800 0.379 0.000 1.095 337 F CA 2.215 60.307 58.000 0.153 0.000 1.249 337 F CB -0.335 38.689 39.000 0.039 0.000 0.995 337 F HN 0.093 nan 8.300 nan 0.000 0.480 338 T N -1.505 113.175 114.554 0.210 0.000 2.897 338 T HA -0.146 4.204 4.350 0.000 0.000 0.271 338 T C 1.922 176.685 174.700 0.106 0.000 1.084 338 T CA 0.867 63.062 62.100 0.158 0.000 1.123 338 T CB -0.954 67.990 68.868 0.127 0.000 0.865 338 T HN 0.319 nan 8.240 nan 0.000 0.496 339 A N 0.029 122.903 122.820 0.091 0.000 2.168 339 A HA 0.209 4.529 4.320 0.000 0.000 0.215 339 A C 1.333 178.695 177.584 -0.370 0.000 1.152 339 A CA 0.240 52.208 52.037 -0.115 0.000 0.716 339 A CB -0.770 18.149 19.000 -0.135 0.000 0.794 339 A HN 0.641 nan 8.150 nan 0.000 0.465 340 Y N 0.042 120.199 120.300 -0.238 0.000 2.532 340 Y HA 0.323 4.873 4.550 -0.000 0.000 0.283 340 Y C 1.646 176.944 175.900 -1.002 0.000 1.181 340 Y CA -0.500 57.352 58.100 -0.414 0.000 1.256 340 Y CB -0.251 38.085 38.460 -0.206 0.000 1.112 340 Y HN 0.269 nan 8.280 nan 0.000 0.521 341 G N 1.200 109.352 108.800 -1.080 0.000 2.634 341 G HA2 0.188 4.148 3.960 0.000 0.000 0.255 341 G HA3 0.188 4.148 3.960 0.000 0.000 0.255 341 G C -1.078 173.525 174.900 -0.495 0.000 1.205 341 G CA -0.836 43.584 45.100 -1.132 0.000 0.884 341 G HN 0.114 nan 8.290 nan 0.000 0.549 342 P HA 0.114 nan 4.420 nan 0.000 0.240 342 P C 0.084 177.301 177.300 -0.137 0.000 1.190 342 P CA 0.610 63.594 63.100 -0.194 0.000 0.781 342 P CB 0.712 32.373 31.700 -0.065 0.000 0.931 343 D N -1.490 118.780 120.400 -0.218 0.000 2.388 343 D HA 0.035 4.675 4.640 0.000 0.000 0.208 343 D C 0.074 176.442 176.300 0.112 0.000 1.035 343 D CA 0.077 54.076 54.000 -0.002 0.000 0.875 343 D CB -0.305 40.489 40.800 -0.009 0.000 0.984 343 D HN 0.039 nan 8.370 nan 0.000 0.508 344 Y N -0.612 119.694 120.300 0.010 0.000 3.689 344 Y HA -0.251 4.300 4.550 0.000 0.000 0.221 344 Y C 0.129 176.074 175.900 0.075 0.000 1.247 344 Y CA -0.018 58.090 58.100 0.014 0.000 1.671 344 Y CB -2.227 36.215 38.460 -0.029 0.000 1.521 344 Y HN -0.070 nan 8.280 nan 0.000 0.632 345 V N -3.323 116.664 119.914 0.122 0.000 3.074 345 V HA 0.628 4.748 4.120 0.000 0.000 0.314 345 V C 0.636 176.787 176.094 0.094 0.000 1.117 345 V CA -0.968 61.400 62.300 0.114 0.000 1.014 345 V CB 1.891 33.762 31.823 0.080 0.000 1.057 345 V HN 0.024 nan 8.190 nan 0.000 0.438 346 L N 0.645 121.926 121.223 0.096 0.000 2.156 346 L HA 0.277 4.617 4.340 0.000 0.000 0.208 346 L C 1.177 178.042 176.870 -0.008 0.000 1.095 346 L CA 1.479 56.360 54.840 0.068 0.000 0.770 346 L CB -0.650 41.456 42.059 0.079 0.000 0.914 346 L HN 0.919 nan 8.230 nan 0.000 0.439 347 E N -0.168 120.018 120.200 -0.024 0.000 2.366 347 E HA 0.361 4.711 4.350 0.000 0.000 0.266 347 E C -0.576 175.979 176.600 -0.075 0.000 1.051 347 E CA 0.281 56.633 56.400 -0.080 0.000 0.884 347 E CB 0.870 30.532 29.700 -0.065 0.000 1.006 347 E HN 0.179 nan 8.360 nan 0.000 0.417 348 I N 1.499 122.004 120.570 -0.109 0.000 2.474 348 I HA 0.249 4.419 4.170 0.000 0.000 0.294 348 I C -0.347 175.717 176.117 -0.088 0.000 1.005 348 I CA -0.731 60.512 61.300 -0.095 0.000 1.113 348 I CB 2.112 40.045 38.000 -0.111 0.000 1.289 348 I HN 0.327 nan 8.210 nan 0.000 0.436 349 T N 6.215 120.728 114.554 -0.068 0.000 2.799 349 T HA 0.354 4.705 4.350 0.000 0.000 0.286 349 T C -2.347 172.322 174.700 -0.052 0.000 0.973 349 T CA -1.171 60.895 62.100 -0.056 0.000 1.035 349 T CB 1.022 69.864 68.868 -0.044 0.000 0.932 349 T HN 0.282 nan 8.240 nan 0.000 0.469 350 P HA 0.170 nan 4.420 nan 0.000 0.267 350 P C -0.359 176.923 177.300 -0.030 0.000 1.200 350 P CA -0.220 62.856 63.100 -0.039 0.000 0.772 350 P CB 0.364 32.041 31.700 -0.038 0.000 0.855 351 S N 1.066 116.753 115.700 -0.022 0.000 2.564 351 S HA 0.073 4.543 4.470 0.000 0.000 0.278 351 S C 0.106 174.698 174.600 -0.014 0.000 1.333 351 S CA -0.411 57.779 58.200 -0.016 0.000 1.048 351 S CB -0.070 63.125 63.200 -0.008 0.000 0.900 351 S HN 0.436 nan 8.310 nan 0.000 0.505 352 C N 4.463 123.755 119.300 -0.013 0.000 2.423 352 C HA 0.478 4.938 4.460 0.000 0.000 0.378 352 C C 0.876 175.861 174.990 -0.009 0.000 1.068 352 C CA -0.266 58.744 59.018 -0.012 0.000 1.371 352 C CB -1.992 25.741 27.740 -0.011 0.000 1.856 352 C HN 0.739 nan 8.230 nan 0.000 0.523 353 R N 2.673 123.168 120.500 -0.009 0.000 2.561 353 R HA 0.443 4.783 4.340 0.000 0.000 0.266 353 R C -2.961 173.334 176.300 -0.008 0.000 1.091 353 R CA -0.819 55.278 56.100 -0.005 0.000 0.927 353 R CB 1.467 31.768 30.300 0.000 0.000 1.240 353 R HN 0.255 nan 8.270 nan 0.000 0.449 354 P HA 0.117 nan 4.420 nan 0.000 0.275 354 P C -1.197 176.094 177.300 -0.015 0.000 1.227 354 P CA -0.364 62.728 63.100 -0.012 0.000 0.781 354 P CB 0.710 32.403 31.700 -0.011 0.000 0.906 355 D N 2.257 122.642 120.400 -0.025 0.000 2.338 355 D HA 0.022 4.662 4.640 0.000 0.000 0.255 355 D C 0.515 176.794 176.300 -0.035 0.000 1.237 355 D CA -0.173 53.805 54.000 -0.036 0.000 0.883 355 D CB 0.465 41.237 40.800 -0.047 0.000 1.087 355 D HN 0.080 nan 8.370 nan 0.000 0.485 356 R N 3.178 123.661 120.500 -0.030 0.000 2.391 356 R HA 0.131 4.471 4.340 0.000 0.000 0.249 356 R C -0.257 176.025 176.300 -0.031 0.000 0.957 356 R CA -0.199 55.887 56.100 -0.023 0.000 1.093 356 R CB -0.460 29.833 30.300 -0.012 0.000 1.156 356 R HN 0.383 nan 8.270 nan 0.000 0.526 357 N N 2.328 120.998 118.700 -0.050 0.000 2.469 357 N HA 0.058 4.798 4.740 0.000 0.000 0.239 357 N C -0.366 175.104 175.510 -0.067 0.000 1.053 357 N CA -0.043 52.971 53.050 -0.060 0.000 0.937 357 N CB 1.343 39.776 38.487 -0.090 0.000 1.163 357 N HN 0.061 nan 8.380 nan 0.000 0.509 358 E N 2.392 122.560 120.200 -0.054 0.000 2.366 358 E HA 0.014 4.364 4.350 0.000 0.000 0.266 358 E C -1.375 175.152 176.600 -0.120 0.000 1.015 358 E CA -1.397 54.957 56.400 -0.078 0.000 0.906 358 E CB 1.112 30.799 29.700 -0.021 0.000 0.979 358 E HN 0.322 nan 8.360 nan 0.000 0.443 359 P HA -0.178 nan 4.420 nan 0.000 0.220 359 P C 0.718 177.910 177.300 -0.180 0.000 1.144 359 P CA 1.174 64.146 63.100 -0.212 0.000 0.800 359 P CB 0.218 31.759 31.700 -0.266 0.000 0.772 360 H N -1.039 118.016 119.070 -0.025 0.000 2.284 360 H HA 0.005 4.560 4.556 -0.001 0.000 0.304 360 H C 2.151 177.466 175.328 -0.021 0.000 1.069 360 H CA 1.291 57.327 56.048 -0.020 0.000 1.327 360 H CB -0.666 29.088 29.762 -0.014 0.000 1.387 360 H HN -0.067 nan 8.280 nan 0.000 0.498 361 R N 1.086 121.650 120.500 0.107 0.000 2.103 361 R HA -0.113 4.227 4.340 0.000 0.000 0.242 361 R C 2.212 178.513 176.300 0.001 0.000 1.142 361 R CA 0.912 57.038 56.100 0.042 0.000 0.960 361 R CB -0.759 29.555 30.300 0.023 0.000 0.858 361 R HN 0.189 nan 8.270 nan 0.000 0.439 362 I N 0.500 121.055 120.570 -0.025 0.000 2.127 362 I HA -0.246 3.924 4.170 0.000 0.000 0.241 362 I C 2.207 178.300 176.117 -0.040 0.000 1.075 362 I CA 1.541 62.808 61.300 -0.056 0.000 1.334 362 I CB -1.304 36.647 38.000 -0.083 0.000 1.040 362 I HN 0.292 nan 8.210 nan 0.000 0.405 363 Q N 0.747 120.537 119.800 -0.016 0.000 2.226 363 Q HA -0.223 4.117 4.340 0.000 0.000 0.204 363 Q C 2.174 178.183 176.000 0.015 0.000 0.975 363 Q CA 1.550 57.351 55.803 -0.002 0.000 0.866 363 Q CB -0.162 28.589 28.738 0.021 0.000 0.915 363 Q HN 0.449 nan 8.270 nan 0.000 0.440 364 Q N -0.446 119.372 119.800 0.029 0.000 2.020 364 Q HA -0.116 4.224 4.340 0.000 0.000 0.202 364 Q C 1.928 177.956 176.000 0.047 0.000 0.982 364 Q CA 1.906 57.734 55.803 0.042 0.000 0.838 364 Q CB -0.139 28.624 28.738 0.042 0.000 0.899 364 Q HN 0.475 nan 8.270 nan 0.000 0.423 365 I N 0.133 120.704 120.570 0.002 0.000 2.163 365 I HA -0.311 3.859 4.170 0.000 0.000 0.243 365 I C 1.878 177.997 176.117 0.003 0.000 1.085 365 I CA 1.093 62.376 61.300 -0.028 0.000 1.347 365 I CB -0.215 37.733 38.000 -0.086 0.000 1.044 365 I HN 0.236 nan 8.210 nan 0.000 0.408 366 L N 0.222 121.435 121.223 -0.016 0.000 2.275 366 L HA -0.168 4.172 4.340 0.000 0.000 0.215 366 L C 2.101 178.977 176.870 0.010 0.000 1.119 366 L CA 0.829 55.658 54.840 -0.019 0.000 0.790 366 L CB -0.764 41.267 42.059 -0.047 0.000 0.919 366 L HN 0.341 nan 8.230 nan 0.000 0.443 367 N N -0.363 118.356 118.700 0.032 0.000 2.173 367 N HA -0.181 4.559 4.740 0.000 0.000 0.184 367 N C 1.797 177.342 175.510 0.059 0.000 1.025 367 N CA 1.087 54.154 53.050 0.029 0.000 0.852 367 N CB -0.383 38.119 38.487 0.026 0.000 0.998 367 N HN 0.303 nan 8.380 nan 0.000 0.427 368 Y N 1.395 121.675 120.300 -0.033 0.000 2.207 368 Y HA -0.118 4.431 4.550 -0.000 0.000 0.287 368 Y C 2.183 178.066 175.900 -0.029 0.000 1.156 368 Y CA 1.211 59.295 58.100 -0.027 0.000 1.182 368 Y CB -0.080 38.364 38.460 -0.026 0.000 0.979 368 Y HN -0.021 nan 8.280 nan 0.000 0.521 369 I N 0.033 120.729 120.570 0.210 0.000 2.233 369 I HA -0.296 3.874 4.170 0.000 0.000 0.243 369 I C 2.254 178.395 176.117 0.040 0.000 1.093 369 I CA 1.445 62.818 61.300 0.122 0.000 1.380 369 I CB -0.306 37.721 38.000 0.046 0.000 1.067 369 I HN 0.073 nan 8.210 nan 0.000 0.413 370 K N 0.578 120.983 120.400 0.008 0.000 2.211 370 K HA -0.154 4.166 4.320 0.000 0.000 0.204 370 K C 2.046 178.605 176.600 -0.068 0.000 1.047 370 K CA 1.371 57.640 56.287 -0.029 0.000 0.935 370 K CB -0.406 32.076 32.500 -0.030 0.000 0.728 370 K HN 0.477 nan 8.250 nan 0.000 0.452 371 G N 0.957 109.708 108.800 -0.082 0.000 2.414 371 G HA2 -0.255 3.705 3.960 0.000 0.000 0.215 371 G HA3 -0.255 3.705 3.960 0.000 0.000 0.215 371 G C 1.054 175.864 174.900 -0.150 0.000 1.188 371 G CA 0.900 45.912 45.100 -0.145 0.000 0.783 371 G HN 0.328 nan 8.290 nan 0.000 0.537 372 N N -0.140 118.494 118.700 -0.110 0.000 2.137 372 N HA -0.105 4.635 4.740 0.000 0.000 0.190 372 N C 1.818 177.244 175.510 -0.140 0.000 1.017 372 N CA 0.584 53.551 53.050 -0.139 0.000 0.859 372 N CB -0.108 38.425 38.487 0.076 0.000 1.002 372 N HN 0.121 nan 8.380 nan 0.000 0.428 373 L N 1.159 122.326 121.223 -0.094 0.000 2.395 373 L HA 0.027 4.367 4.340 0.000 0.000 0.218 373 L C 1.713 178.507 176.870 -0.127 0.000 1.130 373 L CA 1.312 56.095 54.840 -0.094 0.000 0.826 373 L CB -0.234 41.793 42.059 -0.052 0.000 0.941 373 L HN 0.013 nan 8.230 nan 0.000 0.451 374 K N -1.432 118.854 120.400 -0.189 0.000 2.211 374 K HA -0.124 4.196 4.320 0.000 0.000 0.203 374 K C 1.758 178.179 176.600 -0.298 0.000 1.050 374 K CA 0.898 57.038 56.287 -0.244 0.000 0.945 374 K CB -0.111 32.206 32.500 -0.304 0.000 0.732 374 K HN 0.403 nan 8.250 nan 0.000 0.451 375 H N -0.524 118.380 119.070 -0.276 0.000 2.518 375 H HA -0.033 4.523 4.556 0.000 0.000 0.289 375 H C 0.616 175.897 175.328 -0.078 0.000 1.051 375 H CA 0.185 56.099 56.048 -0.223 0.000 1.280 375 H CB 0.086 29.554 29.762 -0.491 0.000 1.380 375 H HN -0.108 nan 8.280 nan 0.000 0.566 376 V N 0.000 119.899 119.914 -0.025 0.000 2.409 376 V HA 0.000 4.120 4.120 0.000 0.000 0.244 376 V CA 0.000 62.292 62.300 -0.013 0.000 1.235 376 V CB 0.000 31.720 31.823 -0.172 0.000 1.184 376 V HN 0.000 nan 8.190 nan 0.000 0.556