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 3mz4_1_B DATA FIRST_RESID 14 DATA SEQUENCE LVPVYIYSPE YVSMCDSLAK IPKRASMVHS LIEAYALHKQ MRIVKPKVAS DATA SEQUENCE MEEMATFHTD AYLQHLQKVS QEGXXXXXXX XXYGLGYLCP 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 KHVVI 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 0.000 176.875 176.870 0.008 0.000 1.165 14 L CA 0.000 54.846 54.840 0.010 0.000 0.813 14 L CB 0.000 42.068 42.059 0.015 0.000 0.961 15 V N 0.819 120.738 119.914 0.009 0.000 2.924 15 V HA 0.633 4.755 4.120 0.002 0.000 0.305 15 V C -2.233 173.870 176.094 0.016 0.000 1.073 15 V CA -1.207 61.098 62.300 0.008 0.000 1.098 15 V CB 0.150 31.977 31.823 0.006 0.000 1.000 15 V HN 0.780 nan 8.190 nan 0.000 0.484 16 P HA 0.161 nan 4.420 nan 0.000 0.266 16 P C -0.394 176.936 177.300 0.050 0.000 1.195 16 P CA 0.040 63.153 63.100 0.021 0.000 0.768 16 P CB 0.493 32.203 31.700 0.018 0.000 0.838 17 V N 4.614 124.554 119.914 0.043 0.000 2.498 17 V HA 0.121 4.242 4.120 0.002 0.000 0.279 17 V C -0.347 175.813 176.094 0.110 0.000 1.048 17 V CA -0.011 62.329 62.300 0.066 0.000 0.967 17 V CB 0.109 31.947 31.823 0.025 0.000 0.988 17 V HN 0.438 nan 8.190 nan 0.000 0.473 18 Y N 5.940 126.249 120.300 0.016 0.000 2.338 18 Y HA 0.517 5.068 4.550 0.002 0.000 0.328 18 Y C -0.173 175.777 175.900 0.082 0.000 0.965 18 Y CA -1.065 57.061 58.100 0.044 0.000 1.208 18 Y CB 0.944 39.468 38.460 0.107 0.000 1.132 18 Y HN 0.425 nan 8.280 nan 0.000 0.469 19 I N 7.718 128.095 120.570 -0.322 0.000 2.396 19 I HA 0.134 4.305 4.170 0.002 0.000 0.289 19 I C -0.823 175.113 176.117 -0.302 0.000 1.056 19 I CA -0.127 61.012 61.300 -0.269 0.000 1.365 19 I CB 0.000 37.832 38.000 -0.281 0.000 1.407 19 I HN 0.705 nan 8.210 nan 0.000 0.509 20 Y N 5.877 126.013 120.300 -0.273 0.000 2.465 20 Y HA 0.466 5.017 4.550 0.002 0.000 0.323 20 Y C -1.007 174.859 175.900 -0.056 0.000 1.191 20 Y CA -0.959 57.046 58.100 -0.159 0.000 1.082 20 Y CB 1.484 39.857 38.460 -0.144 0.000 1.334 20 Y HN 0.632 nan 8.280 nan 0.000 0.449 21 S N 4.711 119.867 115.700 -0.907 0.000 2.579 21 S HA 0.587 5.059 4.470 0.002 0.000 0.272 21 S C -2.971 171.029 174.600 -1.001 0.000 1.141 21 S CA -1.473 56.143 58.200 -0.973 0.000 0.843 21 S CB 2.635 65.620 63.200 -0.358 0.000 1.122 21 S HN 0.321 nan 8.310 nan 0.000 0.468 22 P HA -0.005 nan 4.420 nan 0.000 0.218 22 P C 0.805 178.032 177.300 -0.121 0.000 1.149 22 P CA 1.278 64.235 63.100 -0.239 0.000 0.817 22 P CB 0.012 31.693 31.700 -0.032 0.000 0.785 23 E N -1.540 118.598 120.200 -0.105 0.000 2.106 23 E HA -0.179 4.172 4.350 0.002 0.000 0.192 23 E C 2.020 178.625 176.600 0.009 0.000 0.984 23 E CA 0.933 57.317 56.400 -0.027 0.000 0.806 23 E CB -1.256 28.437 29.700 -0.011 0.000 0.750 23 E HN 0.380 nan 8.360 nan 0.000 0.458 24 Y N 0.661 120.863 120.300 -0.163 0.000 2.114 24 Y HA -0.266 4.286 4.550 0.003 0.000 0.284 24 Y C 2.111 177.957 175.900 -0.089 0.000 1.143 24 Y CA 1.140 59.161 58.100 -0.132 0.000 1.135 24 Y CB -0.082 38.268 38.460 -0.184 0.000 0.980 24 Y HN -0.127 nan 8.280 nan 0.000 0.499 25 V N -0.407 119.411 119.914 -0.160 0.000 2.332 25 V HA -0.325 3.797 4.120 0.002 0.000 0.248 25 V C 2.356 178.381 176.094 -0.116 0.000 1.055 25 V CA 2.197 64.409 62.300 -0.147 0.000 1.038 25 V CB -0.728 31.142 31.823 0.078 0.000 0.651 25 V HN 0.419 nan 8.190 nan 0.000 0.450 26 S N -0.912 114.750 115.700 -0.062 0.000 2.402 26 S HA -0.186 4.285 4.470 0.002 0.000 0.229 26 S C 1.850 176.380 174.600 -0.115 0.000 1.021 26 S CA 1.874 60.048 58.200 -0.043 0.000 0.974 26 S CB -0.310 62.892 63.200 0.004 0.000 0.800 26 S HN 0.539 nan 8.310 nan 0.000 0.484 27 M N 0.816 120.336 119.600 -0.132 0.000 2.086 27 M HA -0.135 4.347 4.480 0.002 0.000 0.261 27 M C 2.038 178.062 176.300 -0.460 0.000 1.067 27 M CA 1.554 56.724 55.300 -0.218 0.000 1.116 27 M CB -0.389 32.205 32.600 -0.009 0.000 1.348 27 M HN 0.345 nan 8.290 nan 0.000 0.407 28 C N 0.541 119.611 119.300 -0.382 0.000 2.422 28 C HA -0.119 4.342 4.460 0.002 0.000 0.279 28 C C 2.081 176.940 174.990 -0.219 0.000 1.305 28 C CA 0.674 59.499 59.018 -0.321 0.000 1.757 28 C CB -1.367 26.142 27.740 -0.384 0.000 1.962 28 C HN 0.563 nan 8.230 nan 0.000 0.499 29 D N 1.113 121.401 120.400 -0.186 0.000 2.265 29 D HA -0.081 4.561 4.640 0.002 0.000 0.208 29 D C 2.103 178.322 176.300 -0.134 0.000 0.977 29 D CA 1.196 55.132 54.000 -0.108 0.000 0.871 29 D CB -0.215 40.559 40.800 -0.042 0.000 0.925 29 D HN 0.460 nan 8.370 nan 0.000 0.485 30 S N -0.113 115.428 115.700 -0.265 0.000 2.562 30 S HA 0.018 4.490 4.470 0.002 0.000 0.221 30 S C 0.613 175.091 174.600 -0.203 0.000 0.975 30 S CA -0.363 57.681 58.200 -0.261 0.000 0.918 30 S CB 0.378 63.328 63.200 -0.417 0.000 0.772 30 S HN 0.102 nan 8.310 nan 0.000 0.531 31 L N 2.466 123.579 121.223 -0.184 0.000 2.584 31 L HA 0.106 4.447 4.340 0.002 0.000 0.272 31 L C 1.451 178.297 176.870 -0.039 0.000 1.195 31 L CA -0.252 54.563 54.840 -0.042 0.000 0.920 31 L CB -0.727 41.367 42.059 0.058 0.000 1.173 31 L HN 0.190 nan 8.230 nan 0.000 0.489 32 A N 4.074 126.868 122.820 -0.044 0.000 2.014 32 A HA -0.112 4.209 4.320 0.002 0.000 0.218 32 A C 2.120 179.636 177.584 -0.115 0.000 1.163 32 A CA 0.995 52.989 52.037 -0.072 0.000 0.652 32 A CB -0.168 18.787 19.000 -0.075 0.000 0.808 32 A HN 0.672 nan 8.150 nan 0.000 0.449 33 K N -0.280 120.024 120.400 -0.161 0.000 2.296 33 K HA 0.121 4.442 4.320 0.002 0.000 0.200 33 K C 0.636 177.230 176.600 -0.009 0.000 1.048 33 K CA 0.895 57.068 56.287 -0.190 0.000 0.966 33 K CB -0.079 32.166 32.500 -0.425 0.000 0.754 33 K HN 0.680 nan 8.250 nan 0.000 0.466 34 I N -1.728 118.844 120.570 0.003 0.000 2.953 34 I HA 0.374 4.545 4.170 0.002 0.000 0.325 34 I C -2.672 173.433 176.117 -0.020 0.000 1.421 34 I CA -2.238 59.071 61.300 0.015 0.000 0.845 34 I CB 1.099 39.118 38.000 0.032 0.000 2.186 34 I HN -0.258 nan 8.210 nan 0.000 0.604 35 P HA 0.021 nan 4.420 nan 0.000 0.264 35 P C 0.053 177.328 177.300 -0.041 0.000 1.193 35 P CA 0.492 63.571 63.100 -0.034 0.000 0.763 35 P CB 0.844 32.530 31.700 -0.024 0.000 0.810 36 K N 0.941 121.320 120.400 -0.035 0.000 3.529 36 K HA -0.225 4.096 4.320 0.002 0.000 0.313 36 K C 1.483 178.001 176.600 -0.136 0.000 1.316 36 K CA 1.279 57.538 56.287 -0.045 0.000 0.988 36 K CB -1.941 30.553 32.500 -0.010 0.000 1.252 36 K HN 0.555 nan 8.250 nan 0.000 0.438 37 R N 0.885 121.326 120.500 -0.099 0.000 2.091 37 R HA -0.057 4.284 4.340 0.002 0.000 0.238 37 R C 2.189 178.467 176.300 -0.036 0.000 1.136 37 R CA 1.811 57.848 56.100 -0.105 0.000 0.959 37 R CB -0.169 30.092 30.300 -0.066 0.000 0.856 37 R HN 0.346 nan 8.270 nan 0.000 0.437 38 A N -0.064 122.768 122.820 0.021 0.000 1.877 38 A HA -0.144 4.177 4.320 0.002 0.000 0.216 38 A C 2.221 179.884 177.584 0.131 0.000 1.186 38 A CA 1.889 53.980 52.037 0.090 0.000 0.620 38 A CB -0.646 18.358 19.000 0.008 0.000 0.822 38 A HN 0.393 nan 8.150 nan 0.000 0.443 39 S N -0.518 115.237 115.700 0.091 0.000 2.370 39 S HA -0.198 4.273 4.470 0.002 0.000 0.226 39 S C 2.039 176.688 174.600 0.081 0.000 1.033 39 S CA 1.935 60.253 58.200 0.197 0.000 1.011 39 S CB -0.423 62.965 63.200 0.313 0.000 0.852 39 S HN 0.588 nan 8.310 nan 0.000 0.457 40 M N 0.333 119.733 119.600 -0.332 0.000 2.117 40 M HA -0.085 4.397 4.480 0.002 0.000 0.262 40 M C 2.120 178.432 176.300 0.020 0.000 1.065 40 M CA 1.113 56.176 55.300 -0.396 0.000 1.114 40 M CB -0.617 31.674 32.600 -0.516 0.000 1.361 40 M HN 0.152 nan 8.290 nan 0.000 0.408 41 V N -0.310 119.641 119.914 0.060 0.000 2.261 41 V HA -0.308 3.814 4.120 0.002 0.000 0.246 41 V C 2.343 178.559 176.094 0.204 0.000 1.047 41 V CA 2.505 64.892 62.300 0.145 0.000 1.015 41 V CB -0.995 30.977 31.823 0.248 0.000 0.642 41 V HN 0.507 nan 8.190 nan 0.000 0.446 42 H N 0.878 120.069 119.070 0.201 0.000 2.389 42 H HA -0.109 4.448 4.556 0.002 0.000 0.299 42 H C 2.380 177.767 175.328 0.097 0.000 1.081 42 H CA 1.821 57.994 56.048 0.208 0.000 1.345 42 H CB -0.119 29.778 29.762 0.225 0.000 1.393 42 H HN 0.523 nan 8.280 nan 0.000 0.520 43 S N -0.494 115.246 115.700 0.067 0.000 2.414 43 S HA -0.089 4.382 4.470 0.002 0.000 0.227 43 S C 2.139 176.678 174.600 -0.102 0.000 1.022 43 S CA 0.862 59.084 58.200 0.036 0.000 0.958 43 S CB -0.487 62.971 63.200 0.430 0.000 0.797 43 S HN 0.350 nan 8.310 nan 0.000 0.493 44 L N 1.599 122.763 121.223 -0.098 0.000 2.044 44 L HA 0.243 4.584 4.340 0.002 0.000 0.205 44 L C 2.257 179.077 176.870 -0.083 0.000 1.075 44 L CA 1.371 56.061 54.840 -0.251 0.000 0.747 44 L CB -0.632 41.333 42.059 -0.158 0.000 0.903 44 L HN 0.306 nan 8.230 nan 0.000 0.435 45 I N -0.324 120.211 120.570 -0.057 0.000 2.145 45 I HA -0.371 3.800 4.170 0.002 0.000 0.244 45 I C 2.561 178.599 176.117 -0.132 0.000 1.075 45 I CA 1.944 63.208 61.300 -0.059 0.000 1.332 45 I CB -0.363 37.603 38.000 -0.057 0.000 1.033 45 I HN 0.452 nan 8.210 nan 0.000 0.410 46 E N 0.886 120.871 120.200 -0.358 0.000 2.106 46 E HA -0.227 4.125 4.350 0.002 0.000 0.192 46 E C 2.265 178.742 176.600 -0.205 0.000 0.984 46 E CA 1.140 57.248 56.400 -0.486 0.000 0.806 46 E CB -0.015 29.212 29.700 -0.788 0.000 0.750 46 E HN 0.510 nan 8.360 nan 0.000 0.458 47 A N 0.018 122.714 122.820 -0.206 0.000 1.972 47 A HA -0.162 4.159 4.320 0.002 0.000 0.219 47 A C 1.455 178.903 177.584 -0.227 0.000 1.169 47 A CA 1.076 52.977 52.037 -0.227 0.000 0.635 47 A CB -0.605 18.147 19.000 -0.413 0.000 0.810 47 A HN 0.396 nan 8.150 nan 0.000 0.446 48 Y N -1.362 118.870 120.300 -0.113 0.000 2.490 48 Y HA 0.356 4.907 4.550 0.002 0.000 0.281 48 Y C 1.584 177.471 175.900 -0.022 0.000 1.174 48 Y CA 0.211 58.273 58.100 -0.064 0.000 1.295 48 Y CB -0.100 38.317 38.460 -0.071 0.000 1.062 48 Y HN 0.499 nan 8.280 nan 0.000 0.522 49 A N -0.481 122.426 122.820 0.145 0.000 2.887 49 A HA -0.259 4.062 4.320 0.002 0.000 0.257 49 A C 1.209 178.843 177.584 0.083 0.000 1.372 49 A CA 1.233 53.365 52.037 0.159 0.000 0.879 49 A CB -2.149 16.880 19.000 0.047 0.000 1.082 49 A HN 0.540 nan 8.150 nan 0.000 0.703 50 L N -1.170 120.120 121.223 0.111 0.000 2.313 50 L HA -0.090 4.252 4.340 0.002 0.000 0.214 50 L C 2.283 179.110 176.870 -0.071 0.000 1.119 50 L CA 1.491 56.327 54.840 -0.007 0.000 0.809 50 L CB -0.691 41.351 42.059 -0.028 0.000 0.933 50 L HN 0.912 nan 8.230 nan 0.000 0.449 51 H N -0.717 118.224 119.070 -0.215 0.000 2.456 51 H HA -0.122 4.436 4.556 0.002 0.000 0.296 51 H C 1.897 177.172 175.328 -0.089 0.000 1.079 51 H CA 0.912 56.824 56.048 -0.228 0.000 1.322 51 H CB -0.208 29.430 29.762 -0.206 0.000 1.388 51 H HN 0.174 nan 8.280 nan 0.000 0.538 52 K N 0.144 120.218 120.400 -0.543 0.000 2.486 52 K HA -0.002 4.319 4.320 0.002 0.000 0.194 52 K C 1.358 177.855 176.600 -0.172 0.000 1.033 52 K CA 0.672 56.727 56.287 -0.387 0.000 1.004 52 K CB 0.296 32.563 32.500 -0.389 0.000 0.798 52 K HN 0.506 nan 8.250 nan 0.000 0.495 53 Q N -0.386 119.334 119.800 -0.132 0.000 2.282 53 Q HA 0.227 4.568 4.340 0.002 0.000 0.206 53 Q C -0.132 175.844 176.000 -0.041 0.000 0.878 53 Q CA 0.042 55.801 55.803 -0.072 0.000 0.944 53 Q CB 0.644 29.344 28.738 -0.063 0.000 1.100 53 Q HN 0.191 nan 8.270 nan 0.000 0.509 54 M N -0.183 119.399 119.600 -0.030 0.000 2.644 54 M HA 0.418 4.899 4.480 0.002 0.000 0.304 54 M C -0.556 175.780 176.300 0.061 0.000 1.215 54 M CA -0.833 54.482 55.300 0.025 0.000 0.871 54 M CB 2.417 35.043 32.600 0.043 0.000 1.740 54 M HN -0.154 nan 8.290 nan 0.000 0.464 55 R N 1.910 122.460 120.500 0.083 0.000 2.210 55 R HA 0.456 4.798 4.340 0.002 0.000 0.338 55 R C -1.109 175.284 176.300 0.155 0.000 1.062 55 R CA -0.214 55.943 56.100 0.094 0.000 0.902 55 R CB 0.221 30.559 30.300 0.063 0.000 1.050 55 R HN 0.664 nan 8.270 nan 0.000 0.461 56 I N 5.674 126.358 120.570 0.191 0.000 2.379 56 I HA 0.093 4.264 4.170 0.002 0.000 0.290 56 I C -0.327 175.891 176.117 0.168 0.000 1.063 56 I CA -0.383 61.081 61.300 0.273 0.000 1.351 56 I CB 1.296 39.503 38.000 0.345 0.000 1.410 56 I HN 0.312 nan 8.210 nan 0.000 0.505 57 V N 7.199 127.182 119.914 0.115 0.000 2.448 57 V HA 0.218 4.340 4.120 0.002 0.000 0.295 57 V C 0.244 176.319 176.094 -0.031 0.000 1.025 57 V CA -0.973 61.344 62.300 0.030 0.000 0.859 57 V CB 1.771 33.592 31.823 -0.003 0.000 0.988 57 V HN 0.652 nan 8.190 nan 0.000 0.431 58 K N 7.371 127.743 120.400 -0.047 0.000 2.416 58 K HA 0.265 4.587 4.320 0.002 0.000 0.283 58 K C -2.259 174.243 176.600 -0.164 0.000 1.037 58 K CA -1.091 55.128 56.287 -0.112 0.000 0.995 58 K CB 0.863 33.315 32.500 -0.080 0.000 0.938 58 K HN 0.415 nan 8.250 nan 0.000 0.475 59 P HA 0.126 nan 4.420 nan 0.000 0.278 59 P C -1.224 175.944 177.300 -0.219 0.000 1.238 59 P CA -0.291 62.617 63.100 -0.320 0.000 0.794 59 P CB 0.965 32.286 31.700 -0.631 0.000 0.955 60 K N 0.848 121.149 120.400 -0.165 0.000 2.126 60 K HA 0.349 4.671 4.320 0.002 0.000 0.257 60 K C -0.232 176.298 176.600 -0.116 0.000 1.007 60 K CA -0.761 55.459 56.287 -0.112 0.000 0.928 60 K CB 0.582 33.037 32.500 -0.075 0.000 1.013 60 K HN 0.165 nan 8.250 nan 0.000 0.473 61 V N 2.424 122.292 119.914 -0.076 0.000 2.530 61 V HA 0.192 4.313 4.120 0.002 0.000 0.282 61 V C 0.139 176.201 176.094 -0.054 0.000 1.048 61 V CA -0.707 61.555 62.300 -0.063 0.000 0.997 61 V CB 1.081 32.885 31.823 -0.032 0.000 0.987 61 V HN 0.894 nan 8.190 nan 0.000 0.477 62 A N 4.697 127.478 122.820 -0.066 0.000 2.520 62 A HA 0.432 4.754 4.320 0.002 0.000 0.245 62 A C 0.833 178.407 177.584 -0.016 0.000 1.072 62 A CA 0.192 52.205 52.037 -0.041 0.000 0.761 62 A CB -0.021 18.952 19.000 -0.045 0.000 1.004 62 A HN 1.135 nan 8.150 nan 0.000 0.499 63 S N 2.809 118.518 115.700 0.016 0.000 2.600 63 S HA 0.246 4.717 4.470 0.002 0.000 0.265 63 S C 1.143 175.791 174.600 0.080 0.000 1.325 63 S CA 0.192 58.421 58.200 0.048 0.000 1.002 63 S CB 0.396 63.621 63.200 0.042 0.000 0.921 63 S HN 0.728 nan 8.310 nan 0.000 0.554 64 M N 1.191 120.864 119.600 0.122 0.000 2.089 64 M HA -0.139 4.343 4.480 0.002 0.000 0.257 64 M C 1.976 178.342 176.300 0.109 0.000 1.071 64 M CA 1.933 57.322 55.300 0.148 0.000 1.096 64 M CB -1.118 31.561 32.600 0.132 0.000 1.330 64 M HN 0.924 nan 8.290 nan 0.000 0.403 65 E N -0.809 119.439 120.200 0.080 0.000 2.072 65 E HA -0.212 4.140 4.350 0.002 0.000 0.191 65 E C 1.992 178.639 176.600 0.077 0.000 0.985 65 E CA 1.448 57.890 56.400 0.070 0.000 0.801 65 E CB -0.194 29.537 29.700 0.051 0.000 0.750 65 E HN 0.646 nan 8.360 nan 0.000 0.452 66 E N 0.392 120.635 120.200 0.071 0.000 2.085 66 E HA -0.186 4.165 4.350 0.002 0.000 0.194 66 E C 2.074 178.740 176.600 0.110 0.000 0.994 66 E CA 1.180 57.624 56.400 0.074 0.000 0.801 66 E CB -0.068 29.662 29.700 0.049 0.000 0.743 66 E HN 0.270 nan 8.360 nan 0.000 0.453 67 M N 0.096 119.773 119.600 0.128 0.000 2.296 67 M HA -0.063 4.418 4.480 0.002 0.000 0.265 67 M C 2.227 178.676 176.300 0.249 0.000 1.064 67 M CA 0.973 56.398 55.300 0.209 0.000 1.109 67 M CB -0.016 32.693 32.600 0.182 0.000 1.396 67 M HN 0.059 nan 8.290 nan 0.000 0.430 68 A N 0.417 123.342 122.820 0.175 0.000 2.239 68 A HA -0.052 4.270 4.320 0.002 0.000 0.209 68 A C 2.085 179.739 177.584 0.117 0.000 1.171 68 A CA 1.414 53.536 52.037 0.143 0.000 0.768 68 A CB -1.071 17.992 19.000 0.105 0.000 0.790 68 A HN 0.597 nan 8.150 nan 0.000 0.478 69 T N -4.064 110.570 114.554 0.132 0.000 2.929 69 T HA -0.104 4.247 4.350 0.002 0.000 0.271 69 T C 1.334 176.138 174.700 0.173 0.000 1.085 69 T CA 1.581 63.757 62.100 0.126 0.000 1.125 69 T CB -0.287 68.650 68.868 0.116 0.000 0.874 69 T HN 0.414 nan 8.240 nan 0.000 0.494 70 F N 0.913 120.842 119.950 -0.034 0.000 2.531 70 F HA 0.369 4.898 4.527 0.002 0.000 0.273 70 F C 0.898 176.591 175.800 -0.178 0.000 0.960 70 F CA -0.856 57.043 58.000 -0.168 0.000 1.207 70 F CB 0.220 39.038 39.000 -0.304 0.000 1.012 70 F HN 0.081 nan 8.300 nan 0.000 0.738 71 H N 1.302 120.307 119.070 -0.108 0.000 2.551 71 H HA 0.264 4.822 4.556 0.003 0.000 0.358 71 H C 0.315 175.601 175.328 -0.071 0.000 1.151 71 H CA 0.551 56.478 56.048 -0.201 0.000 1.374 71 H CB 1.031 30.843 29.762 0.085 0.000 1.473 71 H HN 0.120 nan 8.280 nan 0.000 0.574 72 T N -0.695 113.899 114.554 0.066 0.000 2.918 72 T HA -0.005 4.347 4.350 0.002 0.000 0.302 72 T C 1.056 175.823 174.700 0.112 0.000 1.045 72 T CA -0.758 61.383 62.100 0.069 0.000 1.114 72 T CB 0.800 69.705 68.868 0.062 0.000 0.965 72 T HN 0.430 nan 8.240 nan 0.000 0.540 73 D N 1.734 122.178 120.400 0.073 0.000 2.178 73 D HA -0.103 4.538 4.640 0.002 0.000 0.201 73 D C 2.278 178.593 176.300 0.025 0.000 0.980 73 D CA 1.504 55.537 54.000 0.055 0.000 0.842 73 D CB -0.328 40.497 40.800 0.042 0.000 0.948 73 D HN 0.792 nan 8.370 nan 0.000 0.472 74 A N 0.646 123.489 122.820 0.039 0.000 1.877 74 A HA -0.234 4.087 4.320 0.002 0.000 0.216 74 A C 2.171 179.651 177.584 -0.173 0.000 1.186 74 A CA 1.300 53.350 52.037 0.022 0.000 0.620 74 A CB -1.084 17.998 19.000 0.136 0.000 0.822 74 A HN 0.322 nan 8.150 nan 0.000 0.443 75 Y N 0.535 120.638 120.300 -0.329 0.000 2.128 75 Y HA -0.177 4.375 4.550 0.002 0.000 0.284 75 Y C 1.932 177.652 175.900 -0.301 0.000 1.154 75 Y CA 1.912 59.644 58.100 -0.614 0.000 1.149 75 Y CB -0.392 37.910 38.460 -0.262 0.000 0.976 75 Y HN 0.210 nan 8.280 nan 0.000 0.505 76 L N -0.240 120.850 121.223 -0.223 0.000 2.056 76 L HA -0.236 4.105 4.340 0.002 0.000 0.207 76 L C 2.537 179.295 176.870 -0.187 0.000 1.078 76 L CA 1.594 56.337 54.840 -0.162 0.000 0.749 76 L CB -0.585 41.528 42.059 0.090 0.000 0.901 76 L HN 0.249 nan 8.230 nan 0.000 0.433 77 Q N -1.136 118.561 119.800 -0.170 0.000 2.084 77 Q HA -0.256 4.085 4.340 0.002 0.000 0.202 77 Q C 2.127 178.000 176.000 -0.212 0.000 0.978 77 Q CA 1.713 57.405 55.803 -0.185 0.000 0.844 77 Q CB -0.181 28.498 28.738 -0.098 0.000 0.898 77 Q HN 0.464 nan 8.270 nan 0.000 0.426 78 H N 0.508 119.390 119.070 -0.313 0.000 2.319 78 H HA -0.111 4.447 4.556 0.002 0.000 0.299 78 H C 1.863 177.034 175.328 -0.262 0.000 1.092 78 H CA 1.555 57.447 56.048 -0.260 0.000 1.302 78 H CB -0.230 29.339 29.762 -0.321 0.000 1.373 78 H HN 0.152 nan 8.280 nan 0.000 0.497 79 L N 0.208 121.206 121.223 -0.375 0.000 2.013 79 L HA -0.268 4.074 4.340 0.002 0.000 0.212 79 L C 2.486 179.237 176.870 -0.199 0.000 1.073 79 L CA 2.152 56.832 54.840 -0.267 0.000 0.753 79 L CB -0.513 41.371 42.059 -0.291 0.000 0.890 79 L HN 0.522 nan 8.230 nan 0.000 0.432 80 Q N -0.177 119.383 119.800 -0.399 0.000 2.124 80 Q HA -0.279 4.063 4.340 0.002 0.000 0.202 80 Q C 2.227 177.965 176.000 -0.438 0.000 0.977 80 Q CA 1.810 57.159 55.803 -0.757 0.000 0.850 80 Q CB 0.069 28.062 28.738 -1.241 0.000 0.901 80 Q HN 0.388 nan 8.270 nan 0.000 0.429 81 K N -0.031 120.150 120.400 -0.365 0.000 1.984 81 K HA -0.136 4.186 4.320 0.002 0.000 0.209 81 K C 2.003 178.451 176.600 -0.253 0.000 1.046 81 K CA 1.647 57.765 56.287 -0.283 0.000 0.934 81 K CB -0.185 32.162 32.500 -0.255 0.000 0.717 81 K HN 0.263 nan 8.250 nan 0.000 0.438 82 V N -0.903 118.820 119.914 -0.318 0.000 2.626 82 V HA -0.129 3.992 4.120 0.002 0.000 0.252 82 V C 2.139 178.148 176.094 -0.142 0.000 1.067 82 V CA 2.143 64.312 62.300 -0.218 0.000 1.081 82 V CB -0.461 31.224 31.823 -0.230 0.000 0.686 82 V HN 0.351 nan 8.190 nan 0.000 0.468 83 S N -0.120 115.490 115.700 -0.150 0.000 2.399 83 S HA -0.220 4.251 4.470 0.002 0.000 0.231 83 S C 2.094 176.622 174.600 -0.119 0.000 1.022 83 S CA 1.846 59.975 58.200 -0.118 0.000 0.983 83 S CB -0.351 62.807 63.200 -0.069 0.000 0.803 83 S HN 0.807 nan 8.310 nan 0.000 0.480 84 Q N 0.973 120.692 119.800 -0.135 0.000 2.079 84 Q HA -0.153 4.188 4.340 0.002 0.000 0.200 84 Q C 2.229 178.179 176.000 -0.084 0.000 0.974 84 Q CA 1.655 57.391 55.803 -0.113 0.000 0.840 84 Q CB -0.555 28.108 28.738 -0.125 0.000 0.898 84 Q HN 0.908 nan 8.270 nan 0.000 0.430 85 E N 0.669 120.820 120.200 -0.081 0.000 2.072 85 E HA 0.019 4.370 4.350 0.002 0.000 0.191 85 E C 1.001 177.576 176.600 -0.042 0.000 0.985 85 E CA 0.664 57.030 56.400 -0.056 0.000 0.801 85 E CB -0.389 29.280 29.700 -0.052 0.000 0.750 85 E HN 0.215 nan 8.360 nan 0.000 0.452 97 G N 0.785 109.696 108.800 0.186 0.000 2.162 97 G HA2 -0.317 3.645 3.960 0.002 0.000 0.260 97 G HA3 -0.317 3.645 3.960 0.002 0.000 0.260 97 G C 0.258 175.239 174.900 0.135 0.000 0.976 97 G CA 0.336 45.511 45.100 0.125 0.000 0.655 97 G HN 0.332 nan 8.290 nan 0.000 0.533 98 L N 1.722 123.072 121.223 0.212 0.000 2.672 98 L HA 0.476 4.817 4.340 0.002 0.000 0.238 98 L C 1.624 178.592 176.870 0.163 0.000 1.392 98 L CA 0.198 55.168 54.840 0.217 0.000 1.238 98 L CB -0.552 41.702 42.059 0.326 0.000 1.548 98 L HN 0.321 nan 8.230 nan 0.000 0.423 99 G N -1.326 107.544 108.800 0.117 0.000 3.019 99 G HA2 -0.006 3.956 3.960 0.002 0.000 0.152 99 G HA3 -0.006 3.956 3.960 0.002 0.000 0.152 99 G C 0.386 175.368 174.900 0.136 0.000 1.320 99 G CA -0.261 44.913 45.100 0.124 0.000 1.013 99 G HN 0.178 nan 8.290 nan 0.000 0.593 100 Y N 0.293 120.605 120.300 0.020 0.000 2.102 100 Y HA -0.146 4.404 4.550 0.000 0.000 0.280 100 Y C 2.623 178.539 175.900 0.027 0.000 1.178 100 Y CA 1.959 60.068 58.100 0.014 0.000 1.146 100 Y CB -0.146 38.310 38.460 -0.006 0.000 0.968 100 Y HN 0.099 nan 8.280 nan 0.000 0.504 101 L N -1.906 119.372 121.223 0.092 0.000 2.270 101 L HA -0.077 4.264 4.340 0.002 0.000 0.210 101 L C 0.708 177.623 176.870 0.075 0.000 1.104 101 L CA 0.404 55.284 54.840 0.067 0.000 0.804 101 L CB -0.163 41.825 42.059 -0.118 0.000 0.937 101 L HN 0.195 nan 8.230 nan 0.000 0.450 102 C N 0.717 120.011 119.300 -0.011 0.000 3.276 102 C HA 0.340 4.801 4.460 0.002 0.000 0.226 102 C C -2.183 172.894 174.990 0.146 0.000 1.502 102 C CA -1.478 57.474 59.018 -0.111 0.000 1.488 102 C CB -0.156 27.370 27.740 -0.357 0.000 2.014 102 C HN 0.072 nan 8.230 nan 0.000 0.492 103 P HA 0.185 nan 4.420 nan 0.000 0.271 103 P C -0.249 177.202 177.300 0.252 0.000 1.218 103 P CA 0.487 63.686 63.100 0.165 0.000 0.780 103 P CB 0.672 32.409 31.700 0.061 0.000 0.901 104 A N 2.601 125.532 122.820 0.185 0.000 2.544 104 A HA 0.427 4.748 4.320 0.002 0.000 0.301 104 A C 0.703 178.316 177.584 0.050 0.000 1.368 104 A CA 0.034 52.151 52.037 0.133 0.000 1.045 104 A CB -1.176 17.886 19.000 0.104 0.000 1.129 104 A HN 0.586 nan 8.150 nan 0.000 0.540 105 T N -0.007 114.553 114.554 0.011 0.000 2.936 105 T HA 0.500 4.851 4.350 0.002 0.000 0.282 105 T C 0.025 174.691 174.700 -0.057 0.000 1.003 105 T CA -0.829 61.263 62.100 -0.013 0.000 1.005 105 T CB 1.030 69.902 68.868 0.006 0.000 1.097 105 T HN 0.634 nan 8.240 nan 0.000 0.532 106 E N -0.241 119.931 120.200 -0.046 0.000 2.376 106 E HA 0.365 4.716 4.350 0.002 0.000 0.266 106 E C 1.262 177.763 176.600 -0.165 0.000 1.009 106 E CA 0.857 57.209 56.400 -0.081 0.000 0.902 106 E CB -0.327 29.346 29.700 -0.046 0.000 0.972 106 E HN 1.091 nan 8.360 nan 0.000 0.439 107 G N 4.109 112.760 108.800 -0.248 0.000 2.175 107 G HA2 -0.294 3.668 3.960 0.002 0.000 0.244 107 G HA3 -0.294 3.668 3.960 0.002 0.000 0.244 107 G C 0.663 175.146 174.900 -0.695 0.000 0.982 107 G CA 0.239 45.038 45.100 -0.500 0.000 0.641 107 G HN 0.617 nan 8.290 nan 0.000 0.527 108 I N 0.330 120.665 120.570 -0.390 0.000 2.361 108 I HA 0.115 4.286 4.170 0.002 0.000 0.251 108 I C 2.170 178.171 176.117 -0.195 0.000 1.133 108 I CA 1.695 62.798 61.300 -0.328 0.000 1.413 108 I CB -0.460 37.266 38.000 -0.456 0.000 1.073 108 I HN 0.341 nan 8.210 nan 0.000 0.424 109 F N 1.402 121.206 119.950 -0.243 0.000 2.126 109 F HA -0.280 4.248 4.527 0.002 0.000 0.299 109 F C 2.183 177.909 175.800 -0.124 0.000 1.096 109 F CA 2.100 60.008 58.000 -0.155 0.000 1.255 109 F CB -0.403 38.500 39.000 -0.161 0.000 0.997 109 F HN 0.162 nan 8.300 nan 0.000 0.479 110 D N -0.514 119.817 120.400 -0.114 0.000 2.097 110 D HA -0.206 4.435 4.640 0.002 0.000 0.195 110 D C 2.190 178.441 176.300 -0.083 0.000 0.989 110 D CA 1.575 55.489 54.000 -0.144 0.000 0.827 110 D CB -0.811 39.911 40.800 -0.131 0.000 0.966 110 D HN 0.322 nan 8.370 nan 0.000 0.456 111 Y N 1.498 121.772 120.300 -0.044 0.000 2.224 111 Y HA -0.046 4.505 4.550 0.001 0.000 0.289 111 Y C 2.548 178.404 175.900 -0.074 0.000 1.146 111 Y CA 0.199 58.286 58.100 -0.022 0.000 1.182 111 Y CB -1.231 37.255 38.460 0.043 0.000 0.983 111 Y HN -0.077 nan 8.280 nan 0.000 0.524 112 A N 0.327 123.178 122.820 0.053 0.000 1.858 112 A HA -0.090 4.231 4.320 0.002 0.000 0.216 112 A C 2.570 180.032 177.584 -0.202 0.000 1.190 112 A CA 2.096 54.096 52.037 -0.061 0.000 0.617 112 A CB -1.327 17.712 19.000 0.065 0.000 0.827 112 A HN 0.371 nan 8.150 nan 0.000 0.443 113 A N -0.126 122.496 122.820 -0.330 0.000 1.948 113 A HA 0.027 4.348 4.320 0.002 0.000 0.220 113 A C 2.491 179.988 177.584 -0.145 0.000 1.177 113 A CA 2.519 54.375 52.037 -0.301 0.000 0.636 113 A CB -1.066 17.669 19.000 -0.442 0.000 0.815 113 A HN 1.160 nan 8.150 nan 0.000 0.449 114 A N -0.483 122.298 122.820 -0.065 0.000 1.902 114 A HA -0.052 4.270 4.320 0.002 0.000 0.217 114 A C 2.131 179.750 177.584 0.059 0.000 1.181 114 A CA 1.596 53.660 52.037 0.045 0.000 0.623 114 A CB -0.505 18.613 19.000 0.197 0.000 0.818 114 A HN 0.505 nan 8.150 nan 0.000 0.443 115 I N -0.646 119.905 120.570 -0.031 0.000 2.333 115 I HA -0.079 4.093 4.170 0.002 0.000 0.246 115 I C 2.694 178.697 176.117 -0.191 0.000 1.106 115 I CA 0.838 62.065 61.300 -0.122 0.000 1.411 115 I CB -0.524 37.151 38.000 -0.542 0.000 1.082 115 I HN 0.372 nan 8.210 nan 0.000 0.420 116 G N 0.700 109.388 108.800 -0.187 0.000 2.476 116 G HA2 -0.255 3.706 3.960 0.002 0.000 0.218 116 G HA3 -0.255 3.706 3.960 0.002 0.000 0.218 116 G C 1.740 176.589 174.900 -0.085 0.000 1.164 116 G CA 0.967 46.011 45.100 -0.093 0.000 0.768 116 G HN 0.494 nan 8.290 nan 0.000 0.560 117 G N 0.899 109.637 108.800 -0.104 0.000 2.432 117 G HA2 0.074 4.035 3.960 0.002 0.000 0.219 117 G HA3 0.074 4.035 3.960 0.002 0.000 0.219 117 G C 2.027 176.824 174.900 -0.170 0.000 1.135 117 G CA 1.494 46.525 45.100 -0.114 0.000 0.767 117 G HN 0.686 nan 8.290 nan 0.000 0.550 118 A N 0.346 123.019 122.820 -0.246 0.000 1.877 118 A HA -0.019 4.303 4.320 0.002 0.000 0.216 118 A C 2.528 179.986 177.584 -0.211 0.000 1.186 118 A CA 2.434 54.262 52.037 -0.349 0.000 0.620 118 A CB -0.935 17.740 19.000 -0.541 0.000 0.822 118 A HN 0.278 nan 8.150 nan 0.000 0.443 119 T N 0.226 114.693 114.554 -0.144 0.000 2.821 119 T HA -0.042 4.310 4.350 0.002 0.000 0.267 119 T C 1.783 176.442 174.700 -0.068 0.000 1.046 119 T CA 1.357 63.399 62.100 -0.096 0.000 1.139 119 T CB -0.394 68.436 68.868 -0.064 0.000 0.871 119 T HN 0.408 nan 8.240 nan 0.000 0.454 120 I N 1.261 121.794 120.570 -0.061 0.000 2.163 120 I HA -0.211 3.961 4.170 0.002 0.000 0.243 120 I C 2.704 178.792 176.117 -0.047 0.000 1.085 120 I CA 1.199 62.477 61.300 -0.037 0.000 1.347 120 I CB -0.724 37.260 38.000 -0.026 0.000 1.044 120 I HN 0.254 nan 8.210 nan 0.000 0.408 121 T N 0.859 115.364 114.554 -0.083 0.000 2.652 121 T HA -0.221 4.130 4.350 0.002 0.000 0.267 121 T C 2.078 176.736 174.700 -0.070 0.000 1.039 121 T CA 1.592 63.641 62.100 -0.085 0.000 1.153 121 T CB -0.460 68.330 68.868 -0.130 0.000 0.863 121 T HN 0.497 nan 8.240 nan 0.000 0.428 122 A N 1.575 124.341 122.820 -0.090 0.000 1.908 122 A HA 0.055 4.377 4.320 0.002 0.000 0.218 122 A C 2.675 180.242 177.584 -0.029 0.000 1.181 122 A CA 2.073 54.067 52.037 -0.072 0.000 0.627 122 A CB -1.217 17.719 19.000 -0.106 0.000 0.818 122 A HN 0.535 nan 8.150 nan 0.000 0.445 123 A N -1.116 121.694 122.820 -0.015 0.000 1.902 123 A HA -0.214 4.108 4.320 0.002 0.000 0.217 123 A C 2.147 179.757 177.584 0.043 0.000 1.181 123 A CA 2.174 54.228 52.037 0.028 0.000 0.623 123 A CB -0.536 18.485 19.000 0.036 0.000 0.818 123 A HN 0.543 nan 8.150 nan 0.000 0.443 124 Q N -0.368 119.441 119.800 0.015 0.000 2.124 124 Q HA -0.157 4.184 4.340 0.002 0.000 0.202 124 Q C 1.935 177.945 176.000 0.018 0.000 0.977 124 Q CA 2.181 57.991 55.803 0.012 0.000 0.850 124 Q CB -0.996 27.739 28.738 -0.006 0.000 0.901 124 Q HN 0.651 nan 8.270 nan 0.000 0.429 125 C N -0.496 118.811 119.300 0.011 0.000 2.425 125 C HA -0.055 4.406 4.460 0.002 0.000 0.277 125 C C 2.462 177.479 174.990 0.045 0.000 1.280 125 C CA 0.559 59.587 59.018 0.017 0.000 1.744 125 C CB -1.091 26.650 27.740 0.001 0.000 1.989 125 C HN 0.523 nan 8.230 nan 0.000 0.491 126 L N 0.057 121.323 121.223 0.072 0.000 2.109 126 L HA -0.045 4.296 4.340 0.002 0.000 0.207 126 L C 2.348 179.343 176.870 0.208 0.000 1.086 126 L CA 1.294 56.216 54.840 0.136 0.000 0.760 126 L CB -0.416 41.730 42.059 0.145 0.000 0.910 126 L HN 0.308 nan 8.230 nan 0.000 0.437 127 I N -0.142 120.519 120.570 0.151 0.000 2.315 127 I HA -0.261 3.910 4.170 0.002 0.000 0.248 127 I C 1.695 177.807 176.117 -0.009 0.000 1.117 127 I CA 1.069 62.388 61.300 0.031 0.000 1.404 127 I CB -0.275 37.715 38.000 -0.016 0.000 1.071 127 I HN 0.233 nan 8.210 nan 0.000 0.419 128 D N 0.736 121.145 120.400 0.015 0.000 2.348 128 D HA -0.021 4.621 4.640 0.002 0.000 0.216 128 D C 1.772 178.083 176.300 0.019 0.000 0.970 128 D CA 1.157 55.160 54.000 0.005 0.000 0.889 128 D CB -0.038 40.766 40.800 0.006 0.000 0.912 128 D HN 0.445 nan 8.370 nan 0.000 0.524 129 G N 0.890 109.718 108.800 0.048 0.000 2.148 129 G HA2 -0.412 3.550 3.960 0.002 0.000 0.254 129 G HA3 -0.412 3.550 3.960 0.002 0.000 0.254 129 G C 1.013 175.939 174.900 0.043 0.000 0.981 129 G CA 0.728 45.863 45.100 0.059 0.000 0.670 129 G HN 0.364 nan 8.290 nan 0.000 0.528 130 M N -0.287 119.335 119.600 0.035 0.000 2.192 130 M HA -0.058 4.423 4.480 0.002 0.000 0.259 130 M C 1.448 177.765 176.300 0.030 0.000 1.071 130 M CA 2.565 57.881 55.300 0.028 0.000 1.082 130 M CB -0.220 32.394 32.600 0.023 0.000 1.373 130 M HN 1.122 nan 8.290 nan 0.000 0.408 131 C N -3.320 116.002 119.300 0.036 0.000 3.312 131 C HA 0.468 4.929 4.460 0.002 0.000 0.332 131 C C 0.435 175.446 174.990 0.034 0.000 1.340 131 C CA -1.214 57.822 59.018 0.029 0.000 1.265 131 C CB 1.346 29.100 27.740 0.022 0.000 1.563 131 C HN 0.183 nan 8.230 nan 0.000 0.471 132 K N 0.261 120.673 120.400 0.021 0.000 2.352 132 K HA 0.339 4.660 4.320 0.002 0.000 0.194 132 K C 0.023 176.619 176.600 -0.007 0.000 1.038 132 K CA 0.604 56.901 56.287 0.015 0.000 1.023 132 K CB 0.530 33.038 32.500 0.013 0.000 0.840 132 K HN 0.656 nan 8.250 nan 0.000 0.519 133 V N 1.018 120.925 119.914 -0.012 0.000 2.577 133 V HA 0.599 4.720 4.120 0.002 0.000 0.303 133 V C -0.951 175.120 176.094 -0.039 0.000 1.042 133 V CA -1.282 60.997 62.300 -0.035 0.000 0.872 133 V CB 1.706 33.505 31.823 -0.041 0.000 0.998 133 V HN 0.097 nan 8.190 nan 0.000 0.423 134 A N 5.953 128.733 122.820 -0.067 0.000 2.356 134 A HA 0.941 5.263 4.320 0.002 0.000 0.310 134 A C -0.961 176.524 177.584 -0.165 0.000 1.075 134 A CA -0.515 51.474 52.037 -0.080 0.000 0.746 134 A CB 1.081 20.046 19.000 -0.059 0.000 1.221 134 A HN 0.770 nan 8.150 nan 0.000 0.443 135 I N 2.210 122.661 120.570 -0.198 0.000 2.406 135 I HA 0.323 4.494 4.170 0.002 0.000 0.290 135 I C -0.391 175.486 176.117 -0.400 0.000 0.999 135 I CA -0.607 60.452 61.300 -0.401 0.000 1.124 135 I CB 2.059 39.803 38.000 -0.426 0.000 1.289 135 I HN 0.639 nan 8.210 nan 0.000 0.441 136 N N 5.626 124.064 118.700 -0.437 0.000 2.804 136 N HA 0.227 4.968 4.740 0.002 0.000 0.251 136 N C 0.206 175.566 175.510 -0.250 0.000 1.250 136 N CA -0.585 52.300 53.050 -0.275 0.000 0.820 136 N CB 0.423 38.809 38.487 -0.168 0.000 1.156 136 N HN 0.552 nan 8.380 nan 0.000 0.512 137 W N 1.356 122.575 121.300 -0.134 0.000 2.331 137 W HA -0.113 4.548 4.660 0.002 0.000 0.291 137 W C 1.704 178.107 176.519 -0.193 0.000 1.214 137 W CA 0.365 57.531 57.345 -0.297 0.000 1.228 137 W CB 0.175 29.537 29.460 -0.164 0.000 1.135 137 W HN 0.397 nan 8.180 nan 0.000 0.537 138 S N -0.317 115.504 115.700 0.202 0.000 2.607 138 S HA 0.108 4.580 4.470 0.002 0.000 0.224 138 S C 1.188 175.849 174.600 0.101 0.000 0.969 138 S CA 0.446 58.746 58.200 0.166 0.000 0.927 138 S CB -0.484 62.729 63.200 0.021 0.000 0.772 138 S HN 0.254 nan 8.310 nan 0.000 0.533 139 G N -0.039 108.784 108.800 0.039 0.000 2.543 139 G HA2 0.485 4.447 3.960 0.002 0.000 0.267 139 G HA3 0.485 4.447 3.960 0.002 0.000 0.267 139 G C 0.631 175.601 174.900 0.117 0.000 1.406 139 G CA -0.108 44.973 45.100 -0.032 0.000 1.048 139 G HN 0.700 nan 8.290 nan 0.000 0.548 140 G N -2.622 106.264 108.800 0.142 0.000 2.164 140 G HA2 -0.178 3.783 3.960 0.002 0.000 0.212 140 G HA3 -0.178 3.783 3.960 0.002 0.000 0.212 140 G C -0.088 175.034 174.900 0.370 0.000 1.031 140 G CA 0.047 45.279 45.100 0.221 0.000 0.730 140 G HN 0.488 nan 8.290 nan 0.000 0.501 141 W N 2.300 123.688 121.300 0.146 0.000 1.564 141 W HA 0.398 5.060 4.660 0.003 0.000 0.480 141 W C 1.603 178.268 176.519 0.242 0.000 0.699 141 W CA -0.231 57.237 57.345 0.204 0.000 1.985 141 W CB -1.380 28.225 29.460 0.242 0.000 1.738 141 W HN 0.690 nan 8.180 nan 0.000 0.218 142 H N -2.083 117.091 119.070 0.173 0.000 2.555 142 H HA -0.010 4.547 4.556 0.002 0.000 0.269 142 H C 1.210 176.513 175.328 -0.042 0.000 0.988 142 H CA 0.778 56.852 56.048 0.044 0.000 1.178 142 H CB 0.222 30.020 29.762 0.060 0.000 1.373 142 H HN 0.207 nan 8.280 nan 0.000 0.588 143 H N 1.233 120.446 119.070 0.238 0.000 2.525 143 H HA 0.325 4.882 4.556 0.002 0.000 0.275 143 H C 1.236 176.632 175.328 0.113 0.000 0.984 143 H CA 0.460 56.547 56.048 0.064 0.000 1.264 143 H CB -0.074 29.738 29.762 0.082 0.000 1.432 143 H HN 0.475 nan 8.280 nan 0.000 0.549 144 A N 2.468 125.477 122.820 0.315 0.000 2.520 144 A HA 0.173 4.494 4.320 0.002 0.000 0.235 144 A C 0.554 178.328 177.584 0.317 0.000 1.065 144 A CA 0.126 52.347 52.037 0.306 0.000 0.764 144 A CB 0.460 19.723 19.000 0.438 0.000 1.002 144 A HN 0.102 nan 8.150 nan 0.000 0.502 145 K N 0.941 121.455 120.400 0.191 0.000 2.258 145 K HA 0.239 4.560 4.320 0.002 0.000 0.236 145 K C 1.127 177.650 176.600 -0.127 0.000 1.008 145 K CA -0.452 55.909 56.287 0.123 0.000 0.869 145 K CB 1.230 33.742 32.500 0.020 0.000 1.171 145 K HN 0.792 nan 8.250 nan 0.000 0.447 146 K N 0.226 120.319 120.400 -0.511 0.000 2.113 146 K HA -0.211 4.110 4.320 0.002 0.000 0.208 146 K C 0.271 176.644 176.600 -0.379 0.000 1.047 146 K CA 2.478 58.166 56.287 -0.998 0.000 0.928 146 K CB -0.067 31.924 32.500 -0.848 0.000 0.716 146 K HN 0.603 nan 8.250 nan 0.000 0.446 147 D N -0.142 120.089 120.400 -0.282 0.000 2.582 147 D HA 0.046 4.688 4.640 0.002 0.000 0.246 147 D C -0.645 175.509 176.300 -0.242 0.000 1.334 147 D CA -0.513 53.377 54.000 -0.183 0.000 0.805 147 D CB 0.088 40.913 40.800 0.040 0.000 1.087 147 D HN 0.608 nan 8.370 nan 0.000 0.499 148 E N -0.221 119.712 120.200 -0.446 0.000 2.352 148 E HA 0.615 4.967 4.350 0.002 0.000 0.280 148 E C -1.277 175.176 176.600 -0.246 0.000 0.930 148 E CA -1.299 54.941 56.400 -0.267 0.000 0.765 148 E CB 1.698 31.389 29.700 -0.015 0.000 1.219 148 E HN 0.008 nan 8.360 nan 0.000 0.434 149 A N 1.954 124.761 122.820 -0.022 0.000 2.386 149 A HA 0.576 4.897 4.320 0.002 0.000 0.248 149 A C -0.079 177.494 177.584 -0.018 0.000 1.082 149 A CA 0.161 52.216 52.037 0.030 0.000 0.789 149 A CB 0.979 20.014 19.000 0.059 0.000 1.025 149 A HN 0.550 nan 8.150 nan 0.000 0.490 150 S N -0.428 115.243 115.700 -0.048 0.000 2.548 150 S HA 0.506 4.978 4.470 0.002 0.000 0.278 150 S C 0.051 174.613 174.600 -0.064 0.000 1.150 150 S CA 0.651 58.847 58.200 -0.008 0.000 0.907 150 S CB 0.625 63.876 63.200 0.086 0.000 1.108 150 S HN 2.687 nan 8.310 nan 0.000 0.459 151 G N 3.326 111.958 108.800 -0.281 0.000 2.338 151 G HA2 -0.260 3.702 3.960 0.002 0.000 0.296 151 G HA3 -0.260 3.702 3.960 0.002 0.000 0.296 151 G C 0.539 175.120 174.900 -0.532 0.000 1.040 151 G CA 0.591 45.244 45.100 -0.745 0.000 1.004 151 G HN 1.586 nan 8.290 nan 0.000 0.509 152 F N -4.589 115.158 119.950 -0.339 0.000 2.748 152 F HA -0.316 4.213 4.527 0.002 0.000 0.370 152 F C 1.353 176.833 175.800 -0.533 0.000 0.620 152 F CA 0.208 57.992 58.000 -0.359 0.000 1.233 152 F CB -1.979 36.881 39.000 -0.232 0.000 1.708 152 F HN 0.523 nan 8.300 nan 0.000 0.298 153 C N 1.106 120.237 119.300 -0.281 0.000 2.285 153 C HA 0.396 4.857 4.460 0.002 0.000 0.335 153 C C 1.088 176.047 174.990 -0.052 0.000 1.267 153 C CA -0.273 58.608 59.018 -0.230 0.000 1.762 153 C CB -0.344 27.481 27.740 0.141 0.000 2.365 153 C HN 0.296 nan 8.230 nan 0.000 0.527 154 Y N 1.673 122.113 120.300 0.233 0.000 2.458 154 Y HA 0.499 5.050 4.550 0.001 0.000 0.256 154 Y C 0.326 176.493 175.900 0.445 0.000 1.159 154 Y CA -0.164 58.168 58.100 0.387 0.000 1.261 154 Y CB 0.078 38.754 38.460 0.359 0.000 1.119 154 Y HN 0.551 nan 8.280 nan 0.000 0.524 155 L N 0.031 121.686 121.223 0.720 0.000 2.545 155 L HA 0.407 4.748 4.340 0.002 0.000 0.258 155 L C -1.298 175.976 176.870 0.674 0.000 0.942 155 L CA -0.589 54.548 54.840 0.496 0.000 0.855 155 L CB 1.686 43.952 42.059 0.344 0.000 1.374 155 L HN -0.164 nan 8.230 nan 0.000 0.411 156 N N 2.884 122.078 118.700 0.822 0.000 2.767 156 N HA 0.089 4.830 4.740 0.002 0.000 0.238 156 N C 0.335 176.023 175.510 0.296 0.000 1.083 156 N CA 0.058 53.409 53.050 0.501 0.000 0.964 156 N CB 0.603 39.306 38.487 0.362 0.000 1.252 156 N HN 0.799 nan 8.380 nan 0.000 0.512 157 D N 2.088 122.618 120.400 0.217 0.000 2.178 157 D HA -0.185 4.456 4.640 0.002 0.000 0.201 157 D C 1.323 177.656 176.300 0.055 0.000 0.980 157 D CA 0.728 54.777 54.000 0.080 0.000 0.842 157 D CB -0.095 40.676 40.800 -0.047 0.000 0.948 157 D HN 0.370 nan 8.370 nan 0.000 0.472 158 A N 1.190 124.054 122.820 0.073 0.000 1.883 158 A HA -0.097 4.224 4.320 0.002 0.000 0.217 158 A C 2.707 180.266 177.584 -0.042 0.000 1.186 158 A CA 1.773 53.831 52.037 0.035 0.000 0.624 158 A CB -0.935 18.101 19.000 0.060 0.000 0.822 158 A HN 0.196 nan 8.150 nan 0.000 0.444 159 V N 0.303 120.143 119.914 -0.123 0.000 2.295 159 V HA -0.280 3.841 4.120 0.002 0.000 0.246 159 V C 2.587 178.635 176.094 -0.076 0.000 1.049 159 V CA 2.020 64.195 62.300 -0.209 0.000 1.024 159 V CB -0.817 30.478 31.823 -0.880 0.000 0.648 159 V HN 0.581 nan 8.190 nan 0.000 0.447 160 L N 0.302 121.506 121.223 -0.030 0.000 2.042 160 L HA -0.142 4.199 4.340 0.002 0.000 0.210 160 L C 2.633 179.530 176.870 0.044 0.000 1.076 160 L CA 1.888 56.755 54.840 0.046 0.000 0.749 160 L CB -1.241 40.870 42.059 0.086 0.000 0.893 160 L HN 0.492 nan 8.230 nan 0.000 0.432 161 G N 0.185 109.003 108.800 0.031 0.000 2.402 161 G HA2 -0.184 3.777 3.960 0.002 0.000 0.216 161 G HA3 -0.184 3.777 3.960 0.002 0.000 0.216 161 G C 1.594 176.520 174.900 0.044 0.000 1.162 161 G CA 0.550 45.668 45.100 0.031 0.000 0.777 161 G HN 0.263 nan 8.290 nan 0.000 0.539 162 I N 0.492 121.084 120.570 0.036 0.000 2.179 162 I HA -0.147 4.025 4.170 0.002 0.000 0.242 162 I C 2.688 178.837 176.117 0.052 0.000 1.088 162 I CA 0.741 62.044 61.300 0.005 0.000 1.357 162 I CB -0.206 37.717 38.000 -0.127 0.000 1.051 162 I HN 0.113 nan 8.210 nan 0.000 0.409 163 L N 0.063 121.357 121.223 0.117 0.000 2.079 163 L HA -0.229 4.113 4.340 0.002 0.000 0.210 163 L C 2.728 179.651 176.870 0.089 0.000 1.081 163 L CA 1.075 55.993 54.840 0.131 0.000 0.752 163 L CB -0.580 41.562 42.059 0.138 0.000 0.896 163 L HN 0.217 nan 8.230 nan 0.000 0.433 164 R N 0.970 121.515 120.500 0.074 0.000 2.066 164 R HA -0.118 4.223 4.340 0.002 0.000 0.232 164 R C 2.145 178.491 176.300 0.076 0.000 1.131 164 R CA 1.600 57.737 56.100 0.061 0.000 0.955 164 R CB -0.784 29.545 30.300 0.048 0.000 0.851 164 R HN 0.238 nan 8.270 nan 0.000 0.432 165 L N 0.378 121.668 121.223 0.111 0.000 2.127 165 L HA -0.133 4.209 4.340 0.002 0.000 0.211 165 L C 2.407 179.396 176.870 0.199 0.000 1.089 165 L CA 1.104 56.071 54.840 0.211 0.000 0.757 165 L CB -0.422 41.773 42.059 0.228 0.000 0.899 165 L HN 0.155 nan 8.230 nan 0.000 0.434 166 R N 0.276 120.846 120.500 0.118 0.000 2.241 166 R HA -0.093 4.249 4.340 0.002 0.000 0.224 166 R C 2.205 178.528 176.300 0.039 0.000 1.101 166 R CA 0.744 56.896 56.100 0.087 0.000 0.995 166 R CB -0.308 30.037 30.300 0.074 0.000 0.870 166 R HN 0.463 nan 8.270 nan 0.000 0.463 167 R N 0.181 120.692 120.500 0.017 0.000 2.120 167 R HA -0.160 4.181 4.340 0.002 0.000 0.234 167 R C 2.077 178.316 176.300 -0.102 0.000 1.123 167 R CA 1.601 57.684 56.100 -0.029 0.000 0.975 167 R CB -0.024 30.260 30.300 -0.026 0.000 0.866 167 R HN 0.043 nan 8.270 nan 0.000 0.446 168 K N -0.507 119.779 120.400 -0.189 0.000 2.306 168 K HA 0.100 4.421 4.320 0.002 0.000 0.200 168 K C -0.314 176.001 176.600 -0.474 0.000 1.083 168 K CA 0.389 56.397 56.287 -0.464 0.000 0.959 168 K CB 0.522 32.483 32.500 -0.898 0.000 0.994 168 K HN -0.125 nan 8.250 nan 0.000 0.492 169 F N 1.578 121.521 119.950 -0.011 0.000 2.444 169 F HA 0.257 4.785 4.527 0.002 0.000 0.342 169 F C 1.106 176.888 175.800 -0.030 0.000 1.121 169 F CA -0.871 57.117 58.000 -0.021 0.000 0.997 169 F CB 1.941 40.935 39.000 -0.011 0.000 1.130 169 F HN 0.101 nan 8.300 nan 0.000 0.454 170 E N 2.727 123.002 120.200 0.125 0.000 2.106 170 E HA -0.037 4.315 4.350 0.002 0.000 0.192 170 E C 0.055 176.661 176.600 0.010 0.000 0.984 170 E CA 1.315 57.734 56.400 0.033 0.000 0.806 170 E CB 0.337 30.029 29.700 -0.014 0.000 0.750 170 E HN 0.532 nan 8.360 nan 0.000 0.458 171 R N 0.360 120.847 120.500 -0.022 0.000 2.513 171 R HA 0.379 4.721 4.340 0.002 0.000 0.301 171 R C -1.095 175.229 176.300 0.041 0.000 0.968 171 R CA -0.791 55.260 56.100 -0.080 0.000 0.872 171 R CB 1.666 31.656 30.300 -0.516 0.000 1.177 171 R HN 0.132 nan 8.270 nan 0.000 0.444 172 I N 4.083 124.765 120.570 0.186 0.000 2.474 172 I HA 0.311 4.482 4.170 0.002 0.000 0.294 172 I C -0.462 175.838 176.117 0.304 0.000 1.005 172 I CA -1.083 60.309 61.300 0.155 0.000 1.113 172 I CB 1.514 39.525 38.000 0.019 0.000 1.289 172 I HN 0.421 nan 8.210 nan 0.000 0.436 173 L N 7.691 129.078 121.223 0.273 0.000 2.282 173 L HA 0.419 4.760 4.340 0.002 0.000 0.288 173 L C -1.194 175.790 176.870 0.190 0.000 1.033 173 L CA -0.345 54.630 54.840 0.225 0.000 0.807 173 L CB 1.060 43.283 42.059 0.273 0.000 1.209 173 L HN 0.459 nan 8.230 nan 0.000 0.423 174 Y N 5.330 125.642 120.300 0.020 0.000 2.331 174 Y HA 0.668 5.219 4.550 0.002 0.000 0.338 174 Y C -1.156 174.797 175.900 0.088 0.000 0.976 174 Y CA -0.771 57.353 58.100 0.039 0.000 1.137 174 Y CB 1.325 39.789 38.460 0.006 0.000 1.172 174 Y HN 0.398 nan 8.280 nan 0.000 0.478 175 V N 6.551 126.246 119.914 -0.365 0.000 2.417 175 V HA 0.295 4.416 4.120 0.002 0.000 0.291 175 V C -0.906 174.888 176.094 -0.500 0.000 1.024 175 V CA -0.807 61.325 62.300 -0.281 0.000 0.861 175 V CB 1.646 33.450 31.823 -0.031 0.000 0.985 175 V HN 0.743 nan 8.190 nan 0.000 0.436 176 D N 4.572 124.799 120.400 -0.289 0.000 2.462 176 D HA 0.372 5.013 4.640 0.002 0.000 0.245 176 D C 0.079 176.476 176.300 0.162 0.000 1.122 176 D CA -0.287 53.646 54.000 -0.111 0.000 0.864 176 D CB 1.765 42.604 40.800 0.065 0.000 1.098 176 D HN 0.452 nan 8.370 nan 0.000 0.541 177 L N 2.504 123.846 121.223 0.197 0.000 2.741 177 L HA 0.196 4.538 4.340 0.002 0.000 0.237 177 L C 1.127 178.210 176.870 0.353 0.000 1.178 177 L CA -0.345 54.691 54.840 0.327 0.000 0.973 177 L CB 0.147 42.401 42.059 0.325 0.000 1.255 177 L HN 0.325 nan 8.230 nan 0.000 0.498 178 D N 0.768 121.367 120.400 0.332 0.000 2.400 178 D HA -0.068 4.573 4.640 0.002 0.000 0.238 178 D C 1.156 177.683 176.300 0.379 0.000 1.157 178 D CA -0.143 54.063 54.000 0.343 0.000 0.889 178 D CB 1.676 42.679 40.800 0.340 0.000 1.199 178 D HN -0.015 nan 8.370 nan 0.000 0.436 179 L N 3.556 124.928 121.223 0.250 0.000 2.089 179 L HA -0.182 4.160 4.340 0.002 0.000 0.213 179 L C 0.362 177.287 176.870 0.093 0.000 1.079 179 L CA 1.904 56.727 54.840 -0.028 0.000 0.758 179 L CB -0.588 41.339 42.059 -0.219 0.000 0.891 179 L HN 0.433 nan 8.230 nan 0.000 0.433 180 H N -1.644 117.738 119.070 0.519 0.000 2.472 180 H HA 0.249 4.806 4.556 0.002 0.000 0.335 180 H C -0.237 175.385 175.328 0.490 0.000 1.136 180 H CA -0.513 55.877 56.048 0.571 0.000 1.264 180 H CB 0.450 30.578 29.762 0.610 0.000 1.486 180 H HN 0.143 nan 8.280 nan 0.000 0.517 181 H N 1.699 120.914 119.070 0.243 0.000 3.125 181 H HA -0.037 4.520 4.556 0.002 0.000 0.310 181 H C 0.543 175.836 175.328 -0.058 0.000 0.980 181 H CA -0.164 55.786 56.048 -0.165 0.000 1.422 181 H CB 0.473 29.965 29.762 -0.449 0.000 1.432 181 H HN 0.967 nan 8.280 nan 0.000 0.577 182 G N 4.928 113.599 108.800 -0.214 0.000 3.090 182 G HA2 -0.129 3.832 3.960 0.002 0.000 0.259 182 G HA3 -0.129 3.832 3.960 0.002 0.000 0.259 182 G C 1.011 175.604 174.900 -0.511 0.000 0.797 182 G CA 0.053 45.010 45.100 -0.239 0.000 2.032 182 G HN 0.832 nan 8.290 nan 0.000 0.614 183 D N 0.917 120.905 120.400 -0.687 0.000 2.144 183 D HA -0.117 4.524 4.640 0.002 0.000 0.200 183 D C 2.218 178.413 176.300 -0.174 0.000 0.978 183 D CA 1.174 54.882 54.000 -0.487 0.000 0.833 183 D CB -0.784 39.887 40.800 -0.216 0.000 0.961 183 D HN 0.258 nan 8.370 nan 0.000 0.470 184 G N 0.755 109.500 108.800 -0.092 0.000 2.421 184 G HA2 -0.196 3.766 3.960 0.002 0.000 0.216 184 G HA3 -0.196 3.766 3.960 0.002 0.000 0.216 184 G C 1.878 176.732 174.900 -0.076 0.000 1.171 184 G CA 1.464 46.566 45.100 0.002 0.000 0.775 184 G HN 0.322 nan 8.290 nan 0.000 0.543 185 V N 0.604 120.437 119.914 -0.135 0.000 2.379 185 V HA -0.095 4.026 4.120 0.002 0.000 0.245 185 V C 2.518 178.569 176.094 -0.072 0.000 1.044 185 V CA 2.010 64.177 62.300 -0.222 0.000 1.036 185 V CB -0.352 31.130 31.823 -0.569 0.000 0.664 185 V HN 0.567 nan 8.190 nan 0.000 0.453 186 E N 0.345 120.521 120.200 -0.040 0.000 2.085 186 E HA -0.300 4.051 4.350 0.002 0.000 0.194 186 E C 1.798 178.400 176.600 0.003 0.000 0.994 186 E CA 1.826 58.248 56.400 0.035 0.000 0.801 186 E CB -0.085 29.630 29.700 0.025 0.000 0.743 186 E HN 0.578 nan 8.360 nan 0.000 0.453 187 D N 0.032 120.409 120.400 -0.038 0.000 2.144 187 D HA -0.093 4.548 4.640 0.002 0.000 0.200 187 D C 1.821 178.095 176.300 -0.043 0.000 0.978 187 D CA 1.276 55.261 54.000 -0.025 0.000 0.833 187 D CB -0.348 40.457 40.800 0.008 0.000 0.961 187 D HN 0.311 nan 8.370 nan 0.000 0.470 188 A N -0.096 122.627 122.820 -0.161 0.000 1.940 188 A HA -0.143 4.178 4.320 0.002 0.000 0.219 188 A C 1.529 178.726 177.584 -0.644 0.000 1.176 188 A CA 1.044 52.825 52.037 -0.427 0.000 0.631 188 A CB -0.685 17.704 19.000 -1.018 0.000 0.814 188 A HN 0.240 nan 8.150 nan 0.000 0.446 189 F N -1.259 118.673 119.950 -0.030 0.000 2.639 189 F HA 0.217 4.746 4.527 0.002 0.000 0.302 189 F C 2.158 177.958 175.800 0.000 0.000 1.097 189 F CA 0.366 58.363 58.000 -0.005 0.000 1.294 189 F CB 0.177 39.155 39.000 -0.036 0.000 1.027 189 F HN 0.155 nan 8.300 nan 0.000 0.550 190 S N 0.044 115.761 115.700 0.028 0.000 2.399 190 S HA -0.161 4.310 4.470 0.002 0.000 0.231 190 S C 1.512 175.950 174.600 -0.269 0.000 1.022 190 S CA 1.524 59.626 58.200 -0.164 0.000 0.983 190 S CB -0.305 62.676 63.200 -0.366 0.000 0.803 190 S HN 0.383 nan 8.310 nan 0.000 0.480 191 F N 0.901 120.878 119.950 0.046 0.000 2.693 191 F HA 0.346 4.874 4.527 0.002 0.000 0.303 191 F C 0.997 176.811 175.800 0.023 0.000 1.097 191 F CA -0.066 57.950 58.000 0.027 0.000 1.330 191 F CB 0.321 39.328 39.000 0.012 0.000 1.067 191 F HN 0.061 nan 8.300 nan 0.000 0.565 192 T N -1.006 113.648 114.554 0.167 0.000 2.885 192 T HA 0.322 4.674 4.350 0.002 0.000 0.285 192 T C 0.879 175.538 174.700 -0.068 0.000 1.019 192 T CA -0.326 61.826 62.100 0.086 0.000 1.010 192 T CB 1.342 70.309 68.868 0.164 0.000 1.022 192 T HN 0.059 nan 8.240 nan 0.000 0.466 193 S N 2.751 118.291 115.700 -0.266 0.000 2.557 193 S HA 0.228 4.699 4.470 0.002 0.000 0.223 193 S C 1.243 175.752 174.600 -0.152 0.000 0.969 193 S CA -0.456 57.299 58.200 -0.742 0.000 0.927 193 S CB 0.022 62.522 63.200 -1.167 0.000 0.806 193 S HN 0.579 nan 8.310 nan 0.000 0.489 194 K N 1.148 121.556 120.400 0.012 0.000 2.365 194 K HA 0.299 4.620 4.320 0.002 0.000 0.197 194 K C -0.048 176.681 176.600 0.215 0.000 1.042 194 K CA 0.297 56.652 56.287 0.113 0.000 0.987 194 K CB 0.290 32.828 32.500 0.064 0.000 0.779 194 K HN 0.338 nan 8.250 nan 0.000 0.484 195 V N 1.962 121.952 119.914 0.127 0.000 2.525 195 V HA 0.335 4.457 4.120 0.002 0.000 0.299 195 V C -0.702 175.348 176.094 -0.072 0.000 1.034 195 V CA -0.742 61.546 62.300 -0.020 0.000 0.863 195 V CB 2.040 33.525 31.823 -0.562 0.000 0.999 195 V HN 0.095 nan 8.190 nan 0.000 0.423 196 M N 5.096 124.508 119.600 -0.314 0.000 2.180 196 M HA 0.594 5.075 4.480 0.002 0.000 0.350 196 M C 0.007 176.225 176.300 -0.137 0.000 1.125 196 M CA -0.127 54.916 55.300 -0.429 0.000 1.031 196 M CB 1.571 33.472 32.600 -1.164 0.000 1.623 196 M HN 0.839 nan 8.290 nan 0.000 0.451 197 T N 2.226 116.786 114.554 0.009 0.000 2.824 197 T HA 0.706 5.058 4.350 0.002 0.000 0.280 197 T C -0.681 174.097 174.700 0.131 0.000 0.995 197 T CA -0.795 61.409 62.100 0.173 0.000 1.009 197 T CB 1.380 70.405 68.868 0.261 0.000 0.955 197 T HN 0.464 nan 8.240 nan 0.000 0.452 198 V N 2.510 122.514 119.914 0.151 0.000 2.525 198 V HA 0.669 4.790 4.120 0.002 0.000 0.299 198 V C -0.176 176.013 176.094 0.159 0.000 1.034 198 V CA -0.761 61.610 62.300 0.118 0.000 0.863 198 V CB 1.672 33.538 31.823 0.071 0.000 0.999 198 V HN 1.075 nan 8.190 nan 0.000 0.423 199 S N 5.076 120.925 115.700 0.248 0.000 2.519 199 S HA 0.815 5.286 4.470 0.002 0.000 0.309 199 S C -1.105 173.684 174.600 0.315 0.000 1.100 199 S CA -0.439 57.987 58.200 0.377 0.000 1.059 199 S CB 0.997 64.555 63.200 0.596 0.000 1.008 199 S HN 0.471 nan 8.310 nan 0.000 0.478 200 L N 7.132 128.496 121.223 0.236 0.000 2.307 200 L HA 0.676 5.018 4.340 0.002 0.000 0.284 200 L C 0.175 177.204 176.870 0.264 0.000 1.023 200 L CA -0.107 54.760 54.840 0.045 0.000 0.810 200 L CB 1.300 43.340 42.059 -0.031 0.000 1.231 200 L HN 0.780 nan 8.230 nan 0.000 0.423 201 H N 1.022 120.310 119.070 0.363 0.000 3.037 201 H HA 0.290 4.847 4.556 0.002 0.000 0.336 201 H C -1.241 174.335 175.328 0.413 0.000 1.323 201 H CA -1.152 55.139 56.048 0.406 0.000 1.159 201 H CB 1.291 31.291 29.762 0.397 0.000 1.882 201 H HN 0.430 nan 8.280 nan 0.000 0.535 202 K N 1.218 121.794 120.400 0.293 0.000 2.412 202 K HA 0.226 4.547 4.320 0.002 0.000 0.281 202 K C -1.454 175.338 176.600 0.320 0.000 1.027 202 K CA -0.150 56.180 56.287 0.071 0.000 0.989 202 K CB 0.329 32.363 32.500 -0.775 0.000 0.935 202 K HN 0.449 nan 8.250 nan 0.000 0.475 203 F N 3.693 123.720 119.950 0.128 0.000 2.577 203 F HA 0.342 4.870 4.527 0.003 0.000 0.344 203 F C -1.026 174.829 175.800 0.091 0.000 1.145 203 F CA -0.200 57.911 58.000 0.184 0.000 0.996 203 F CB 1.608 40.724 39.000 0.193 0.000 1.248 203 F HN 0.512 nan 8.300 nan 0.000 0.447 204 S N 5.830 121.352 115.700 -0.298 0.000 2.547 204 S HA 0.619 5.090 4.470 0.002 0.000 0.270 204 S C -3.027 171.450 174.600 -0.205 0.000 1.150 204 S CA -1.234 56.851 58.200 -0.192 0.000 0.850 204 S CB 1.866 65.014 63.200 -0.087 0.000 1.118 204 S HN 0.337 nan 8.310 nan 0.000 0.461 205 P HA 0.367 nan 4.420 nan 0.000 0.271 205 P C 0.686 177.969 177.300 -0.030 0.000 1.220 205 P CA 1.085 64.118 63.100 -0.111 0.000 0.768 205 P CB 0.566 32.230 31.700 -0.061 0.000 0.848 206 G N 2.191 110.971 108.800 -0.032 0.000 2.176 206 G HA2 -0.272 3.690 3.960 0.002 0.000 0.253 206 G HA3 -0.272 3.690 3.960 0.002 0.000 0.253 206 G C -0.107 174.835 174.900 0.069 0.000 0.979 206 G CA -0.476 44.632 45.100 0.013 0.000 0.641 206 G HN 0.512 nan 8.290 nan 0.000 0.530 207 F N 1.711 121.622 119.950 -0.066 0.000 2.405 207 F HA 0.702 5.231 4.527 0.002 0.000 0.355 207 F C 0.483 176.307 175.800 0.040 0.000 1.121 207 F CA -2.041 55.963 58.000 0.007 0.000 1.112 207 F CB 0.391 39.382 39.000 -0.015 0.000 1.126 207 F HN 0.124 nan 8.300 nan 0.000 0.481 208 F N 9.141 128.693 119.950 -0.663 0.000 2.602 208 F HA 0.202 4.731 4.527 0.003 0.000 0.367 208 F C -1.407 174.250 175.800 -0.239 0.000 1.126 208 F CA -1.245 56.478 58.000 -0.461 0.000 1.321 208 F CB 0.785 39.438 39.000 -0.579 0.000 1.094 208 F HN 0.419 nan 8.300 nan 0.000 0.594 209 P HA 0.199 nan 4.420 nan 0.000 0.261 209 P C 0.607 177.584 177.300 -0.538 0.000 1.268 209 P CA 1.149 63.419 63.100 -1.384 0.000 0.833 209 P CB 0.717 31.656 31.700 -1.267 0.000 1.231 210 G N -0.210 108.441 108.800 -0.248 0.000 2.195 210 G HA2 -0.178 3.784 3.960 0.002 0.000 0.224 210 G HA3 -0.178 3.784 3.960 0.002 0.000 0.224 210 G C 0.325 175.233 174.900 0.012 0.000 0.990 210 G CA 0.303 45.313 45.100 -0.150 0.000 0.639 210 G HN 0.563 nan 8.290 nan 0.000 0.514 211 T N -2.309 112.275 114.554 0.050 0.000 2.922 211 T HA 0.713 5.064 4.350 0.002 0.000 0.281 211 T C 1.263 175.815 174.700 -0.246 0.000 1.005 211 T CA 0.288 62.421 62.100 0.056 0.000 0.982 211 T CB 1.829 70.747 68.868 0.084 0.000 1.158 211 T HN 2.057 nan 8.240 nan 0.000 0.566 212 G N 0.492 108.976 108.800 -0.528 0.000 2.203 212 G HA2 -0.141 3.820 3.960 0.002 0.000 0.231 212 G HA3 -0.141 3.820 3.960 0.002 0.000 0.231 212 G C -0.314 174.325 174.900 -0.436 0.000 1.058 212 G CA -0.103 44.512 45.100 -0.808 0.000 0.781 212 G HN 0.998 nan 8.290 nan 0.000 0.496 213 D N -0.792 119.201 120.400 -0.678 0.000 2.361 213 D HA 0.284 4.925 4.640 0.002 0.000 0.239 213 D C 1.683 177.744 176.300 -0.398 0.000 1.200 213 D CA 0.219 53.659 54.000 -0.933 0.000 0.915 213 D CB 1.466 41.821 40.800 -0.742 0.000 1.170 213 D HN 0.277 nan 8.370 nan 0.000 0.444 214 V N 2.216 121.948 119.914 -0.304 0.000 2.568 214 V HA -0.240 3.882 4.120 0.002 0.000 0.253 214 V C 1.963 178.009 176.094 -0.081 0.000 1.072 214 V CA 2.826 65.054 62.300 -0.120 0.000 1.084 214 V CB -0.513 31.303 31.823 -0.011 0.000 0.676 214 V HN 0.664 nan 8.190 nan 0.000 0.469 215 S N -0.666 114.964 115.700 -0.116 0.000 2.555 215 S HA -0.063 4.408 4.470 0.002 0.000 0.230 215 S C 0.878 175.414 174.600 -0.107 0.000 0.978 215 S CA 0.508 58.644 58.200 -0.106 0.000 0.934 215 S CB -0.383 62.754 63.200 -0.105 0.000 0.766 215 S HN 0.724 nan 8.310 nan 0.000 0.533 216 D N 2.269 122.603 120.400 -0.110 0.000 2.352 216 D HA 0.228 4.869 4.640 0.002 0.000 0.245 216 D C 0.735 176.993 176.300 -0.069 0.000 1.224 216 D CA -0.339 53.606 54.000 -0.092 0.000 0.879 216 D CB 1.254 41.999 40.800 -0.092 0.000 1.057 216 D HN 0.171 nan 8.370 nan 0.000 0.491 217 V N 1.449 121.299 119.914 -0.107 0.000 3.346 217 V HA 0.609 4.730 4.120 0.002 0.000 0.309 217 V C 0.929 176.942 176.094 -0.136 0.000 1.457 217 V CA 0.323 62.553 62.300 -0.116 0.000 1.069 217 V CB -0.351 31.356 31.823 -0.194 0.000 0.944 217 V HN 0.742 nan 8.190 nan 0.000 0.449 218 G N 0.690 109.408 108.800 -0.137 0.000 2.685 218 G HA2 -0.049 3.912 3.960 0.002 0.000 0.387 218 G HA3 -0.049 3.912 3.960 0.002 0.000 0.387 218 G C -1.168 173.585 174.900 -0.246 0.000 1.324 218 G CA -0.226 44.770 45.100 -0.174 0.000 0.878 218 G HN 0.647 nan 8.290 nan 0.000 0.527 219 L N 0.196 121.228 121.223 -0.318 0.000 2.434 219 L HA 0.694 5.035 4.340 0.002 0.000 0.260 219 L C 1.320 178.134 176.870 -0.092 0.000 0.983 219 L CA 0.021 54.684 54.840 -0.295 0.000 0.820 219 L CB 1.684 43.403 42.059 -0.566 0.000 1.361 219 L HN 2.546 nan 8.230 nan 0.000 0.410 220 G N 1.314 110.151 108.800 0.062 0.000 2.611 220 G HA2 -0.356 3.606 3.960 0.002 0.000 0.301 220 G HA3 -0.356 3.606 3.960 0.002 0.000 0.301 220 G C 0.667 175.636 174.900 0.114 0.000 1.233 220 G CA 0.699 45.897 45.100 0.163 0.000 0.993 220 G HN 0.720 nan 8.290 nan 0.000 0.553 221 K N 1.299 121.783 120.400 0.139 0.000 2.442 221 K HA 0.030 4.352 4.320 0.002 0.000 0.198 221 K C 2.362 178.989 176.600 0.046 0.000 1.044 221 K CA 1.035 57.372 56.287 0.083 0.000 0.948 221 K CB -0.367 32.170 32.500 0.061 0.000 0.762 221 K HN 0.582 nan 8.250 nan 0.000 0.472 222 G N 0.691 109.531 108.800 0.067 0.000 3.088 222 G HA2 -0.059 3.902 3.960 0.002 0.000 0.217 222 G HA3 -0.059 3.902 3.960 0.002 0.000 0.217 222 G C 0.199 175.181 174.900 0.137 0.000 1.159 222 G CA -0.454 44.682 45.100 0.060 0.000 0.760 222 G HN 0.128 nan 8.290 nan 0.000 0.550 223 R N -0.248 120.285 120.500 0.055 0.000 2.522 223 R HA 0.160 4.502 4.340 0.002 0.000 0.284 223 R C 0.056 176.334 176.300 -0.036 0.000 1.032 223 R CA 0.207 56.213 56.100 -0.157 0.000 1.049 223 R CB -0.254 29.846 30.300 -0.333 0.000 0.956 223 R HN 0.454 nan 8.270 nan 0.000 0.422 224 Y N 0.736 121.041 120.300 0.009 0.000 4.936 224 Y HA -0.346 4.205 4.550 0.002 0.000 0.260 224 Y C -0.040 175.708 175.900 -0.254 0.000 0.928 224 Y CA 0.786 58.815 58.100 -0.119 0.000 1.869 224 Y CB -1.848 36.515 38.460 -0.161 0.000 1.344 224 Y HN 0.675 nan 8.280 nan 0.000 0.521 225 Y N 0.068 120.391 120.300 0.038 0.000 2.524 225 Y HA 0.426 4.977 4.550 0.002 0.000 0.266 225 Y C 0.614 176.472 175.900 -0.070 0.000 1.180 225 Y CA 0.237 58.312 58.100 -0.042 0.000 1.244 225 Y CB 0.857 39.304 38.460 -0.021 0.000 1.125 225 Y HN -0.060 nan 8.280 nan 0.000 0.524 226 S N 0.054 115.781 115.700 0.045 0.000 2.500 226 S HA 0.698 5.169 4.470 0.002 0.000 0.301 226 S C -0.767 173.849 174.600 0.028 0.000 1.092 226 S CA -0.727 57.499 58.200 0.042 0.000 1.030 226 S CB 2.263 65.493 63.200 0.051 0.000 1.031 226 S HN -0.163 nan 8.310 nan 0.000 0.483 227 V N 3.689 123.635 119.914 0.052 0.000 2.588 227 V HA 0.541 4.662 4.120 0.002 0.000 0.304 227 V C -0.771 175.380 176.094 0.096 0.000 1.042 227 V CA -0.790 61.537 62.300 0.044 0.000 0.877 227 V CB 1.908 33.741 31.823 0.016 0.000 0.996 227 V HN 0.826 nan 8.190 nan 0.000 0.425 228 N N 2.746 121.487 118.700 0.068 0.000 2.295 228 N HA 0.564 5.305 4.740 0.002 0.000 0.293 228 N C -1.296 174.189 175.510 -0.042 0.000 1.040 228 N CA -0.335 52.781 53.050 0.110 0.000 0.840 228 N CB 2.752 41.304 38.487 0.108 0.000 1.468 228 N HN 0.372 nan 8.380 nan 0.000 0.478 229 V N 3.494 123.311 119.914 -0.161 0.000 2.304 229 V HA 0.345 4.466 4.120 0.002 0.000 0.278 229 V C -2.176 173.661 176.094 -0.429 0.000 1.018 229 V CA -1.565 60.581 62.300 -0.256 0.000 0.814 229 V CB 1.345 33.030 31.823 -0.229 0.000 1.021 229 V HN 0.488 nan 8.190 nan 0.000 0.440 230 P HA 0.510 nan 4.420 nan 0.000 0.281 230 P C -0.740 176.525 177.300 -0.058 0.000 1.252 230 P CA -0.053 62.939 63.100 -0.180 0.000 0.778 230 P CB 1.668 33.245 31.700 -0.206 0.000 0.895 231 I N 2.222 122.834 120.570 0.070 0.000 2.769 231 I HA 0.295 4.466 4.170 0.002 0.000 0.298 231 I C 0.194 176.419 176.117 0.181 0.000 1.128 231 I CA -1.047 60.291 61.300 0.063 0.000 1.031 231 I CB 2.444 40.439 38.000 -0.009 0.000 1.235 231 I HN 0.164 nan 8.210 nan 0.000 0.423 232 Q N 2.266 122.123 119.800 0.095 0.000 2.180 232 Q HA 0.327 4.668 4.340 0.002 0.000 0.241 232 Q C -1.061 175.040 176.000 0.169 0.000 0.970 232 Q CA -0.835 55.036 55.803 0.113 0.000 0.919 232 Q CB 0.875 29.642 28.738 0.049 0.000 1.222 232 Q HN 0.386 nan 8.270 nan 0.000 0.482 233 D N 0.167 120.645 120.400 0.131 0.000 2.601 233 D HA 0.150 4.792 4.640 0.002 0.000 0.229 233 D C 0.969 177.330 176.300 0.102 0.000 1.140 233 D CA 1.922 56.010 54.000 0.146 0.000 0.862 233 D CB 0.257 41.090 40.800 0.055 0.000 1.192 233 D HN 0.747 nan 8.370 nan 0.000 0.480 234 G N 1.571 110.449 108.800 0.131 0.000 2.143 234 G HA2 -0.308 3.653 3.960 0.002 0.000 0.249 234 G HA3 -0.308 3.653 3.960 0.002 0.000 0.249 234 G C 0.504 175.385 174.900 -0.031 0.000 0.981 234 G CA -0.010 45.117 45.100 0.046 0.000 0.665 234 G HN 0.557 nan 8.290 nan 0.000 0.528 235 I N 1.225 121.708 120.570 -0.145 0.000 2.775 235 I HA 0.342 4.513 4.170 0.002 0.000 0.290 235 I C 0.712 176.749 176.117 -0.134 0.000 1.203 235 I CA 0.715 61.883 61.300 -0.219 0.000 1.433 235 I CB 0.512 38.230 38.000 -0.470 0.000 1.354 235 I HN 0.410 nan 8.210 nan 0.000 0.579 236 Q N 4.610 124.368 119.800 -0.069 0.000 2.333 236 Q HA 0.257 4.598 4.340 0.002 0.000 0.266 236 Q C 0.369 176.365 176.000 -0.006 0.000 1.053 236 Q CA -0.861 54.917 55.803 -0.042 0.000 0.890 236 Q CB 0.995 29.717 28.738 -0.028 0.000 1.337 236 Q HN 0.565 nan 8.270 nan 0.000 0.474 237 D N 0.909 121.301 120.400 -0.013 0.000 2.123 237 D HA -0.217 4.425 4.640 0.002 0.000 0.196 237 D C 1.428 177.784 176.300 0.094 0.000 0.992 237 D CA 1.500 55.510 54.000 0.017 0.000 0.833 237 D CB 0.174 40.962 40.800 -0.020 0.000 0.954 237 D HN 0.589 nan 8.370 nan 0.000 0.455 238 E N 0.683 120.918 120.200 0.060 0.000 2.031 238 E HA -0.184 4.167 4.350 0.002 0.000 0.193 238 E C 2.018 178.672 176.600 0.089 0.000 0.994 238 E CA 0.976 57.425 56.400 0.081 0.000 0.800 238 E CB 0.107 29.831 29.700 0.040 0.000 0.752 238 E HN 0.068 nan 8.360 nan 0.000 0.447 239 K N -0.643 119.783 120.400 0.043 0.000 2.148 239 K HA -0.185 4.136 4.320 0.002 0.000 0.204 239 K C 2.119 178.715 176.600 -0.007 0.000 1.050 239 K CA 1.051 57.336 56.287 -0.004 0.000 0.942 239 K CB -0.219 32.259 32.500 -0.036 0.000 0.724 239 K HN 0.170 nan 8.250 nan 0.000 0.446 240 Y N 0.199 120.454 120.300 -0.076 0.000 2.145 240 Y HA -0.310 4.241 4.550 0.002 0.000 0.286 240 Y C 2.097 177.980 175.900 -0.028 0.000 1.145 240 Y CA 2.068 60.119 58.100 -0.083 0.000 1.148 240 Y CB -0.494 37.920 38.460 -0.077 0.000 0.981 240 Y HN 0.176 nan 8.280 nan 0.000 0.507 241 Y N 0.653 121.041 120.300 0.146 0.000 2.181 241 Y HA -0.304 4.248 4.550 0.002 0.000 0.288 241 Y C 2.493 178.348 175.900 -0.076 0.000 1.146 241 Y CA 1.987 60.115 58.100 0.047 0.000 1.164 241 Y CB -0.362 38.125 38.460 0.044 0.000 0.982 241 Y HN 0.225 nan 8.280 nan 0.000 0.515 242 Q N 0.359 120.055 119.800 -0.174 0.000 2.062 242 Q HA -0.262 4.079 4.340 0.002 0.000 0.209 242 Q C 2.247 178.056 176.000 -0.319 0.000 0.996 242 Q CA 2.666 58.311 55.803 -0.263 0.000 0.859 242 Q CB -0.335 28.330 28.738 -0.121 0.000 0.920 242 Q HN 0.589 nan 8.270 nan 0.000 0.415 243 I N -0.218 120.183 120.570 -0.281 0.000 2.127 243 I HA -0.375 3.796 4.170 0.002 0.000 0.241 243 I C 2.715 178.623 176.117 -0.349 0.000 1.075 243 I CA 0.996 62.111 61.300 -0.308 0.000 1.334 243 I CB -0.449 37.337 38.000 -0.357 0.000 1.040 243 I HN 0.425 nan 8.210 nan 0.000 0.405 244 C N 0.814 119.872 119.300 -0.404 0.000 2.429 244 C HA -0.175 4.287 4.460 0.002 0.000 0.277 244 C C 2.889 177.629 174.990 -0.417 0.000 1.262 244 C CA 1.254 60.067 59.018 -0.342 0.000 1.733 244 C CB -1.022 26.601 27.740 -0.196 0.000 2.010 244 C HN 0.503 nan 8.230 nan 0.000 0.483 245 E N 0.233 120.027 120.200 -0.677 0.000 2.051 245 E HA -0.182 4.170 4.350 0.002 0.000 0.192 245 E C 2.361 178.646 176.600 -0.524 0.000 0.991 245 E CA 1.571 57.439 56.400 -0.887 0.000 0.799 245 E CB -0.445 28.559 29.700 -1.161 0.000 0.748 245 E HN 0.689 nan 8.360 nan 0.000 0.449 246 S N -0.155 115.326 115.700 -0.364 0.000 2.370 246 S HA -0.130 4.341 4.470 0.002 0.000 0.226 246 S C 2.146 176.666 174.600 -0.135 0.000 1.033 246 S CA 1.626 59.702 58.200 -0.207 0.000 1.011 246 S CB -0.268 62.823 63.200 -0.182 0.000 0.852 246 S HN 0.161 nan 8.310 nan 0.000 0.457 247 V N 1.878 121.704 119.914 -0.147 0.000 2.323 247 V HA -0.044 4.077 4.120 0.002 0.000 0.244 247 V C 2.511 178.615 176.094 0.016 0.000 1.041 247 V CA 1.711 63.969 62.300 -0.069 0.000 1.025 247 V CB -0.693 31.079 31.823 -0.085 0.000 0.656 247 V HN 0.482 nan 8.190 nan 0.000 0.451 248 L N -0.142 121.095 121.223 0.024 0.000 2.141 248 L HA -0.173 4.168 4.340 0.002 0.000 0.209 248 L C 2.563 179.701 176.870 0.446 0.000 1.094 248 L CA 1.648 56.654 54.840 0.277 0.000 0.763 248 L CB -0.601 41.648 42.059 0.317 0.000 0.908 248 L HN 0.340 nan 8.230 nan 0.000 0.437 249 K N 0.797 121.358 120.400 0.268 0.000 2.032 249 K HA -0.226 4.095 4.320 0.002 0.000 0.209 249 K C 1.892 178.641 176.600 0.249 0.000 1.048 249 K CA 1.781 58.276 56.287 0.346 0.000 0.927 249 K CB 0.059 32.670 32.500 0.186 0.000 0.712 249 K HN 0.320 nan 8.250 nan 0.000 0.441 250 E N -0.139 120.143 120.200 0.137 0.000 2.106 250 E HA -0.132 4.219 4.350 0.002 0.000 0.192 250 E C 1.979 178.631 176.600 0.087 0.000 0.984 250 E CA 1.077 57.527 56.400 0.085 0.000 0.806 250 E CB 0.110 29.828 29.700 0.031 0.000 0.750 250 E HN 0.069 nan 8.360 nan 0.000 0.458 251 V N 0.735 120.720 119.914 0.118 0.000 2.295 251 V HA -0.284 3.837 4.120 0.002 0.000 0.246 251 V C 2.036 178.191 176.094 0.102 0.000 1.049 251 V CA 1.934 64.297 62.300 0.104 0.000 1.024 251 V CB -0.504 31.396 31.823 0.127 0.000 0.648 251 V HN 0.330 nan 8.190 nan 0.000 0.447 252 Y N 0.594 120.872 120.300 -0.036 0.000 2.181 252 Y HA -0.274 4.277 4.550 0.002 0.000 0.288 252 Y C 2.744 178.547 175.900 -0.163 0.000 1.146 252 Y CA 2.320 60.252 58.100 -0.281 0.000 1.164 252 Y CB -0.192 37.968 38.460 -0.499 0.000 0.982 252 Y HN 0.293 nan 8.280 nan 0.000 0.515 253 Q N -0.197 119.607 119.800 0.006 0.000 2.079 253 Q HA -0.166 4.175 4.340 0.002 0.000 0.200 253 Q C 2.292 178.237 176.000 -0.092 0.000 0.974 253 Q CA 1.572 57.343 55.803 -0.052 0.000 0.840 253 Q CB -0.310 28.457 28.738 0.048 0.000 0.898 253 Q HN 0.566 nan 8.270 nan 0.000 0.430 254 A N -0.263 122.537 122.820 -0.033 0.000 1.897 254 A HA -0.104 4.217 4.320 0.002 0.000 0.215 254 A C 1.667 179.267 177.584 0.027 0.000 1.181 254 A CA 1.017 53.047 52.037 -0.012 0.000 0.620 254 A CB -0.542 18.454 19.000 -0.007 0.000 0.821 254 A HN 0.575 nan 8.150 nan 0.000 0.443 255 F N -0.046 119.815 119.950 -0.149 0.000 2.656 255 F HA 0.221 4.750 4.527 0.002 0.000 0.291 255 F C 0.743 176.440 175.800 -0.171 0.000 1.122 255 F CA 0.458 58.395 58.000 -0.104 0.000 1.427 255 F CB -0.065 38.897 39.000 -0.063 0.000 1.125 255 F HN 0.432 nan 8.300 nan 0.000 0.583 256 N N 1.576 120.043 118.700 -0.388 0.000 2.696 256 N HA -0.136 4.605 4.740 0.002 0.000 0.256 256 N C -2.541 172.626 175.510 -0.571 0.000 1.031 256 N CA 0.048 52.747 53.050 -0.584 0.000 0.730 256 N CB -0.624 37.604 38.487 -0.432 0.000 0.894 256 N HN 0.113 nan 8.380 nan 0.000 0.544 257 P HA 0.030 nan 4.420 nan 0.000 0.269 257 P C 0.063 177.233 177.300 -0.216 0.000 1.209 257 P CA -0.010 62.922 63.100 -0.280 0.000 0.776 257 P CB 0.761 32.485 31.700 0.039 0.000 0.876 258 K N 0.196 120.504 120.400 -0.153 0.000 2.354 258 K HA 0.417 4.739 4.320 0.002 0.000 0.194 258 K C 0.662 177.081 176.600 -0.302 0.000 1.038 258 K CA 0.131 56.353 56.287 -0.109 0.000 1.052 258 K CB 0.766 33.294 32.500 0.046 0.000 0.861 258 K HN 0.599 nan 8.250 nan 0.000 0.535 259 A N 0.309 122.963 122.820 -0.276 0.000 2.610 259 A HA 0.638 4.959 4.320 0.002 0.000 0.291 259 A C -1.394 176.137 177.584 -0.089 0.000 1.086 259 A CA -0.590 51.212 52.037 -0.391 0.000 0.677 259 A CB 1.655 20.187 19.000 -0.779 0.000 1.278 259 A HN -0.133 nan 8.150 nan 0.000 0.414 260 V N 0.537 120.427 119.914 -0.039 0.000 2.656 260 V HA 0.607 4.729 4.120 0.002 0.000 0.307 260 V C -0.741 175.386 176.094 0.055 0.000 1.051 260 V CA -0.575 61.777 62.300 0.087 0.000 0.893 260 V CB 1.796 33.733 31.823 0.189 0.000 0.999 260 V HN 0.766 nan 8.190 nan 0.000 0.426 261 V N 5.556 125.532 119.914 0.103 0.000 2.448 261 V HA 0.554 4.675 4.120 0.002 0.000 0.295 261 V C -0.706 175.424 176.094 0.060 0.000 1.025 261 V CA -0.557 61.812 62.300 0.115 0.000 0.859 261 V CB 1.664 33.624 31.823 0.228 0.000 0.988 261 V HN 0.650 nan 8.190 nan 0.000 0.431 262 L N 4.729 125.950 121.223 -0.003 0.000 2.376 262 L HA 0.579 4.920 4.340 0.002 0.000 0.275 262 L C -0.530 176.309 176.870 -0.053 0.000 0.987 262 L CA 0.053 54.855 54.840 -0.064 0.000 0.828 262 L CB 1.721 43.765 42.059 -0.025 0.000 1.249 262 L HN 0.667 nan 8.230 nan 0.000 0.409 263 Q N 5.438 125.188 119.800 -0.083 0.000 2.325 263 Q HA 0.413 4.754 4.340 0.002 0.000 0.262 263 Q C -1.232 174.820 176.000 0.085 0.000 0.968 263 Q CA -0.278 55.535 55.803 0.016 0.000 0.877 263 Q CB 1.504 30.280 28.738 0.064 0.000 1.253 263 Q HN 0.896 nan 8.270 nan 0.000 0.448 264 L N 3.439 124.755 121.223 0.155 0.000 3.168 264 L HA 0.355 4.696 4.340 0.002 0.000 0.277 264 L C 0.834 177.976 176.870 0.453 0.000 1.308 264 L CA -0.694 54.315 54.840 0.282 0.000 0.976 264 L CB 0.983 43.243 42.059 0.336 0.000 1.383 264 L HN 0.680 nan 8.230 nan 0.000 0.572 265 G N 0.361 109.382 108.800 0.369 0.000 2.138 265 G HA2 0.124 4.086 3.960 0.002 0.000 0.244 265 G HA3 0.124 4.086 3.960 0.002 0.000 0.244 265 G C 0.859 175.971 174.900 0.353 0.000 1.166 265 G CA 0.418 45.773 45.100 0.426 0.000 0.902 265 G HN 0.516 nan 8.290 nan 0.000 0.460 266 A N 2.236 125.200 122.820 0.240 0.000 2.370 266 A HA 0.218 4.539 4.320 0.002 0.000 0.238 266 A C 1.523 179.076 177.584 -0.051 0.000 1.289 266 A CA 0.664 52.688 52.037 -0.022 0.000 0.885 266 A CB 0.040 18.774 19.000 -0.442 0.000 0.961 266 A HN 0.642 nan 8.150 nan 0.000 0.499 267 D N -0.526 119.903 120.400 0.047 0.000 2.352 267 D HA -0.101 4.541 4.640 0.002 0.000 0.232 267 D C 1.306 177.660 176.300 0.089 0.000 1.055 267 D CA 1.199 55.267 54.000 0.113 0.000 0.891 267 D CB -0.915 40.076 40.800 0.318 0.000 0.897 267 D HN 0.392 nan 8.370 nan 0.000 0.529 268 T N -2.404 112.202 114.554 0.087 0.000 3.067 268 T HA 0.103 4.455 4.350 0.002 0.000 0.257 268 T C 1.012 175.777 174.700 0.108 0.000 1.105 268 T CA -0.335 61.849 62.100 0.140 0.000 1.104 268 T CB 0.015 69.025 68.868 0.236 0.000 0.925 268 T HN -0.021 nan 8.240 nan 0.000 0.498 269 I N 2.808 123.394 120.570 0.027 0.000 2.529 269 I HA 0.399 4.570 4.170 0.002 0.000 0.284 269 I C 1.144 177.255 176.117 -0.010 0.000 1.082 269 I CA -1.316 59.971 61.300 -0.022 0.000 1.406 269 I CB -0.218 37.731 38.000 -0.084 0.000 1.405 269 I HN 0.293 nan 8.210 nan 0.000 0.548 270 A N 4.793 127.604 122.820 -0.015 0.000 2.584 270 A HA 0.347 4.669 4.320 0.002 0.000 0.239 270 A C 1.311 178.878 177.584 -0.027 0.000 1.043 270 A CA 0.800 52.830 52.037 -0.012 0.000 0.756 270 A CB -0.521 18.464 19.000 -0.026 0.000 0.963 270 A HN 1.453 nan 8.150 nan 0.000 0.511 271 G N 1.437 110.229 108.800 -0.014 0.000 2.176 271 G HA2 -0.193 3.769 3.960 0.002 0.000 0.232 271 G HA3 -0.193 3.769 3.960 0.002 0.000 0.232 271 G C 0.054 174.947 174.900 -0.012 0.000 0.986 271 G CA 0.282 45.367 45.100 -0.024 0.000 0.643 271 G HN 1.039 nan 8.290 nan 0.000 0.522 272 D N 0.866 121.274 120.400 0.012 0.000 2.345 272 D HA 0.327 4.968 4.640 0.002 0.000 0.247 272 D C -0.700 175.646 176.300 0.076 0.000 1.108 272 D CA -1.392 52.639 54.000 0.052 0.000 0.894 272 D CB 1.548 42.399 40.800 0.085 0.000 1.203 272 D HN 0.032 nan 8.370 nan 0.000 0.430 273 P HA -0.125 nan 4.420 nan 0.000 0.220 273 P C 1.578 178.929 177.300 0.085 0.000 1.144 273 P CA 0.899 64.043 63.100 0.074 0.000 0.800 273 P CB 0.148 31.890 31.700 0.069 0.000 0.772 274 M N -1.867 117.815 119.600 0.137 0.000 2.279 274 M HA -0.099 4.383 4.480 0.002 0.000 0.264 274 M C 0.781 177.148 176.300 0.111 0.000 1.062 274 M CA 0.874 56.267 55.300 0.155 0.000 1.099 274 M CB -1.707 31.028 32.600 0.224 0.000 1.394 274 M HN -0.027 nan 8.290 nan 0.000 0.426 275 C N 0.724 120.071 119.300 0.079 0.000 4.350 275 C HA -0.154 4.307 4.460 0.002 0.000 0.302 275 C C 1.709 176.724 174.990 0.042 0.000 1.390 275 C CA 0.519 59.571 59.018 0.055 0.000 2.016 275 C CB -2.992 24.779 27.740 0.051 0.000 1.271 275 C HN 0.607 nan 8.230 nan 0.000 0.760 276 S N -1.907 113.808 115.700 0.026 0.000 3.334 276 S HA 0.392 4.863 4.470 0.002 0.000 0.224 276 S C 0.475 175.182 174.600 0.178 0.000 0.959 276 S CA 0.114 58.306 58.200 -0.013 0.000 0.815 276 S CB 0.051 63.093 63.200 -0.263 0.000 0.861 276 S HN 0.559 nan 8.310 nan 0.000 0.596 277 F N 1.974 121.913 119.950 -0.018 0.000 2.362 277 F HA 0.416 4.945 4.527 0.003 0.000 0.311 277 F C 0.893 176.682 175.800 -0.017 0.000 1.161 277 F CA -0.691 57.302 58.000 -0.011 0.000 1.085 277 F CB 0.478 39.480 39.000 0.003 0.000 1.311 277 F HN 0.143 nan 8.300 nan 0.000 0.524 278 N N 1.391 120.185 118.700 0.156 0.000 2.610 278 N HA 0.157 4.898 4.740 0.002 0.000 0.307 278 N C -1.082 174.426 175.510 -0.003 0.000 1.813 278 N CA -0.117 52.964 53.050 0.053 0.000 0.901 278 N CB 0.149 38.651 38.487 0.025 0.000 1.354 278 N HN 0.330 nan 8.380 nan 0.000 0.491 279 M N 0.202 119.796 119.600 -0.009 0.000 2.359 279 M HA 0.366 4.848 4.480 0.002 0.000 0.322 279 M C 0.860 177.109 176.300 -0.085 0.000 1.166 279 M CA -0.316 54.932 55.300 -0.086 0.000 1.067 279 M CB 1.111 33.614 32.600 -0.162 0.000 1.523 279 M HN 0.292 nan 8.290 nan 0.000 0.467 280 T N -2.058 112.430 114.554 -0.109 0.000 2.940 280 T HA 0.541 4.892 4.350 0.002 0.000 0.288 280 T C -2.374 172.238 174.700 -0.146 0.000 1.045 280 T CA -1.775 60.246 62.100 -0.131 0.000 1.018 280 T CB 1.881 70.661 68.868 -0.147 0.000 1.151 280 T HN 0.284 nan 8.240 nan 0.000 0.529 281 P HA -0.015 nan 4.420 nan 0.000 0.222 281 P C 1.687 178.916 177.300 -0.119 0.000 1.147 281 P CA 0.386 63.394 63.100 -0.154 0.000 0.790 281 P CB -0.137 31.397 31.700 -0.277 0.000 0.780 282 V N -0.038 119.714 119.914 -0.269 0.000 2.343 282 V HA -0.201 3.921 4.120 0.002 0.000 0.247 282 V C 2.580 178.666 176.094 -0.014 0.000 1.051 282 V CA 2.555 64.793 62.300 -0.103 0.000 1.036 282 V CB -1.837 29.897 31.823 -0.148 0.000 0.654 282 V HN 0.178 nan 8.190 nan 0.000 0.451 283 G N 0.189 108.957 108.800 -0.054 0.000 2.421 283 G HA2 -0.187 3.774 3.960 0.002 0.000 0.216 283 G HA3 -0.187 3.774 3.960 0.002 0.000 0.216 283 G C 1.473 176.383 174.900 0.017 0.000 1.171 283 G CA 0.872 45.953 45.100 -0.031 0.000 0.775 283 G HN 0.362 nan 8.290 nan 0.000 0.543 284 I N 2.054 122.622 120.570 -0.004 0.000 2.208 284 I HA -0.124 4.047 4.170 0.002 0.000 0.245 284 I C 3.048 179.245 176.117 0.132 0.000 1.097 284 I CA 1.435 62.778 61.300 0.072 0.000 1.363 284 I CB -1.633 36.416 38.000 0.081 0.000 1.051 284 I HN 0.238 nan 8.210 nan 0.000 0.413 285 G N 0.773 109.671 108.800 0.164 0.000 2.450 285 G HA2 -0.252 3.710 3.960 0.002 0.000 0.220 285 G HA3 -0.252 3.710 3.960 0.002 0.000 0.220 285 G C 1.834 176.759 174.900 0.042 0.000 1.130 285 G CA 0.502 45.693 45.100 0.150 0.000 0.760 285 G HN 0.366 nan 8.290 nan 0.000 0.557 286 K N -0.472 119.909 120.400 -0.031 0.000 2.097 286 K HA -0.036 4.285 4.320 0.002 0.000 0.205 286 K C 2.592 179.201 176.600 0.014 0.000 1.050 286 K CA 1.053 57.212 56.287 -0.214 0.000 0.938 286 K CB -0.256 31.818 32.500 -0.710 0.000 0.718 286 K HN 0.345 nan 8.250 nan 0.000 0.442 287 C N 0.584 120.001 119.300 0.196 0.000 2.446 287 C HA -0.060 4.402 4.460 0.002 0.000 0.277 287 C C 2.475 177.553 174.990 0.147 0.000 1.275 287 C CA 0.096 59.290 59.018 0.293 0.000 1.727 287 C CB -0.707 27.212 27.740 0.298 0.000 2.010 287 C HN 0.458 nan 8.230 nan 0.000 0.486 288 L N 1.689 122.969 121.223 0.095 0.000 2.046 288 L HA -0.122 4.219 4.340 0.002 0.000 0.208 288 L C 2.384 179.230 176.870 -0.039 0.000 1.077 288 L CA 1.915 56.773 54.840 0.030 0.000 0.747 288 L CB -0.752 41.340 42.059 0.056 0.000 0.896 288 L HN 0.259 nan 8.230 nan 0.000 0.432 289 K N -1.614 118.771 120.400 -0.024 0.000 2.057 289 K HA -0.240 4.082 4.320 0.002 0.000 0.207 289 K C 2.162 178.685 176.600 -0.130 0.000 1.049 289 K CA 1.863 58.107 56.287 -0.072 0.000 0.931 289 K CB -0.525 31.941 32.500 -0.056 0.000 0.714 289 K HN 0.350 nan 8.250 nan 0.000 0.440 290 Y N 1.517 121.710 120.300 -0.178 0.000 2.207 290 Y HA -0.215 4.336 4.550 0.002 0.000 0.287 290 Y C 1.824 177.265 175.900 -0.765 0.000 1.156 290 Y CA 1.409 59.329 58.100 -0.301 0.000 1.182 290 Y CB -0.018 38.367 38.460 -0.124 0.000 0.979 290 Y HN -0.021 nan 8.280 nan 0.000 0.521 291 I N -0.911 119.278 120.570 -0.635 0.000 2.333 291 I HA -0.273 3.898 4.170 0.002 0.000 0.246 291 I C 2.109 177.869 176.117 -0.595 0.000 1.106 291 I CA 0.818 61.523 61.300 -0.991 0.000 1.411 291 I CB -0.300 37.422 38.000 -0.463 0.000 1.082 291 I HN 0.174 nan 8.210 nan 0.000 0.420 292 L N 0.646 121.671 121.223 -0.330 0.000 2.131 292 L HA -0.226 4.116 4.340 0.002 0.000 0.210 292 L C 2.617 179.375 176.870 -0.187 0.000 1.092 292 L CA 1.230 55.960 54.840 -0.184 0.000 0.759 292 L CB -0.644 41.340 42.059 -0.125 0.000 0.903 292 L HN 0.403 nan 8.230 nan 0.000 0.435 293 Q N -1.052 118.562 119.800 -0.309 0.000 2.291 293 Q HA -0.192 4.149 4.340 0.002 0.000 0.205 293 Q C 1.685 177.603 176.000 -0.137 0.000 0.970 293 Q CA 1.219 56.874 55.803 -0.245 0.000 0.876 293 Q CB -0.545 28.004 28.738 -0.316 0.000 0.935 293 Q HN 0.383 nan 8.270 nan 0.000 0.455 294 W N 1.273 122.418 121.300 -0.258 0.000 2.421 294 W HA 0.011 4.672 4.660 0.002 0.000 0.270 294 W C 0.257 176.721 176.519 -0.091 0.000 1.233 294 W CA 1.065 58.268 57.345 -0.237 0.000 1.226 294 W CB -0.623 28.708 29.460 -0.214 0.000 1.121 294 W HN 0.417 nan 8.180 nan 0.000 0.579 295 Q N -0.854 119.023 119.800 0.127 0.000 2.478 295 Q HA -0.208 4.134 4.340 0.002 0.000 0.286 295 Q C -0.287 175.765 176.000 0.087 0.000 1.299 295 Q CA 0.311 56.159 55.803 0.075 0.000 0.826 295 Q CB -2.189 26.579 28.738 0.050 0.000 1.199 295 Q HN 0.226 nan 8.270 nan 0.000 0.451 296 L N -0.190 121.101 121.223 0.114 0.000 2.352 296 L HA 0.695 5.036 4.340 0.002 0.000 0.269 296 L C 0.833 177.681 176.870 -0.037 0.000 1.034 296 L CA -0.640 54.224 54.840 0.040 0.000 0.806 296 L CB 0.988 43.094 42.059 0.078 0.000 1.244 296 L HN 0.239 nan 8.230 nan 0.000 0.447 297 A N 1.469 124.194 122.820 -0.159 0.000 2.573 297 A HA 0.273 4.595 4.320 0.002 0.000 0.250 297 A C -0.009 177.479 177.584 -0.159 0.000 1.049 297 A CA 0.510 52.430 52.037 -0.194 0.000 0.767 297 A CB -0.567 18.169 19.000 -0.440 0.000 0.965 297 A HN 0.662 nan 8.150 nan 0.000 0.514 298 T N 3.618 118.127 114.554 -0.076 0.000 2.879 298 T HA 0.475 4.827 4.350 0.002 0.000 0.290 298 T C -0.587 174.077 174.700 -0.060 0.000 0.993 298 T CA -0.297 61.773 62.100 -0.049 0.000 0.975 298 T CB 1.045 69.896 68.868 -0.027 0.000 0.981 298 T HN 0.571 nan 8.240 nan 0.000 0.439 299 L N 4.973 126.165 121.223 -0.053 0.000 2.280 299 L HA 0.555 4.897 4.340 0.002 0.000 0.287 299 L C -0.814 175.990 176.870 -0.112 0.000 1.023 299 L CA -0.906 53.889 54.840 -0.074 0.000 0.819 299 L CB 0.394 42.432 42.059 -0.035 0.000 1.212 299 L HN 0.527 nan 8.230 nan 0.000 0.420 300 I N 6.282 126.723 120.570 -0.216 0.000 2.331 300 I HA 0.341 4.513 4.170 0.002 0.000 0.292 300 I C -0.088 175.766 176.117 -0.439 0.000 0.998 300 I CA -0.283 60.811 61.300 -0.343 0.000 1.267 300 I CB 1.353 39.037 38.000 -0.526 0.000 1.386 300 I HN 0.545 nan 8.210 nan 0.000 0.476 301 L N 4.650 125.689 121.223 -0.307 0.000 2.341 301 L HA 0.646 4.987 4.340 0.002 0.000 0.267 301 L C 0.904 177.668 176.870 -0.177 0.000 1.009 301 L CA -0.569 54.141 54.840 -0.217 0.000 0.819 301 L CB 2.155 44.193 42.059 -0.035 0.000 1.323 301 L HN 0.666 nan 8.230 nan 0.000 0.425 302 G N -0.102 108.597 108.800 -0.168 0.000 2.873 302 G HA2 0.692 4.654 3.960 0.002 0.000 0.170 302 G HA3 0.692 4.654 3.960 0.002 0.000 0.170 302 G C 0.115 175.073 174.900 0.096 0.000 1.608 302 G CA 0.333 45.220 45.100 -0.356 0.000 1.084 302 G HN 0.951 nan 8.290 nan 0.000 0.563 303 G N -2.123 106.891 108.800 0.357 0.000 2.470 303 G HA2 0.517 4.479 3.960 0.002 0.000 0.145 303 G HA3 0.517 4.479 3.960 0.002 0.000 0.145 303 G C 0.386 175.492 174.900 0.343 0.000 1.223 303 G CA 0.287 45.572 45.100 0.308 0.000 1.058 303 G HN 1.384 nan 8.290 nan 0.000 0.469 304 G N -0.878 108.048 108.800 0.211 0.000 2.716 304 G HA2 0.656 4.617 3.960 0.002 0.000 0.251 304 G HA3 0.656 4.617 3.960 0.002 0.000 0.251 304 G C 0.659 175.422 174.900 -0.228 0.000 1.224 304 G CA 0.926 46.044 45.100 0.030 0.000 0.891 304 G HN 2.250 nan 8.290 nan 0.000 0.561 305 G N -1.441 106.837 108.800 -0.872 0.000 2.661 305 G HA2 0.152 4.114 3.960 0.002 0.000 0.262 305 G HA3 0.152 4.114 3.960 0.002 0.000 0.262 305 G C -0.562 173.861 174.900 -0.795 0.000 1.310 305 G CA -0.438 44.269 45.100 -0.656 0.000 1.160 305 G HN 0.683 nan 8.290 nan 0.000 0.598 306 Y N 1.000 121.273 120.300 -0.044 0.000 2.471 306 Y HA 0.340 4.891 4.550 0.003 0.000 0.249 306 Y C 1.291 177.145 175.900 -0.075 0.000 1.116 306 Y CA -0.507 57.572 58.100 -0.035 0.000 1.240 306 Y CB 1.049 39.524 38.460 0.025 0.000 1.251 306 Y HN 0.500 nan 8.280 nan 0.000 0.527 307 N N 2.033 120.717 118.700 -0.026 0.000 2.469 307 N HA 0.127 4.869 4.740 0.002 0.000 0.239 307 N C 0.633 176.033 175.510 -0.183 0.000 1.053 307 N CA 0.234 53.230 53.050 -0.089 0.000 0.937 307 N CB 0.641 39.075 38.487 -0.087 0.000 1.163 307 N HN 0.357 nan 8.380 nan 0.000 0.509 308 L N 2.571 123.683 121.223 -0.185 0.000 2.056 308 L HA -0.095 4.247 4.340 0.002 0.000 0.207 308 L C 2.320 179.021 176.870 -0.282 0.000 1.078 308 L CA 1.242 55.941 54.840 -0.235 0.000 0.749 308 L CB -0.524 41.415 42.059 -0.201 0.000 0.901 308 L HN 0.510 nan 8.230 nan 0.000 0.433 309 A N 0.458 123.085 122.820 -0.322 0.000 1.902 309 A HA -0.211 4.110 4.320 0.002 0.000 0.217 309 A C 2.055 179.506 177.584 -0.221 0.000 1.181 309 A CA 1.939 53.722 52.037 -0.423 0.000 0.623 309 A CB -0.591 17.986 19.000 -0.706 0.000 0.818 309 A HN 0.398 nan 8.150 nan 0.000 0.443 310 N N -0.199 118.368 118.700 -0.222 0.000 2.166 310 N HA -0.100 4.641 4.740 0.002 0.000 0.186 310 N C 1.705 177.042 175.510 -0.288 0.000 1.019 310 N CA 1.897 54.832 53.050 -0.192 0.000 0.856 310 N CB -0.760 37.624 38.487 -0.171 0.000 0.993 310 N HN 0.509 nan 8.380 nan 0.000 0.426 311 T N 0.466 114.773 114.554 -0.412 0.000 2.746 311 T HA -0.043 4.308 4.350 0.002 0.000 0.267 311 T C 1.924 176.202 174.700 -0.704 0.000 1.039 311 T CA 1.297 62.944 62.100 -0.756 0.000 1.142 311 T CB -0.340 68.006 68.868 -0.870 0.000 0.866 311 T HN 0.329 nan 8.240 nan 0.000 0.444 312 A N 1.913 124.525 122.820 -0.347 0.000 1.877 312 A HA -0.114 4.207 4.320 0.002 0.000 0.216 312 A C 2.373 179.921 177.584 -0.060 0.000 1.186 312 A CA 1.378 53.339 52.037 -0.127 0.000 0.620 312 A CB -0.517 18.531 19.000 0.079 0.000 0.822 312 A HN 0.404 nan 8.150 nan 0.000 0.443 313 R N -1.162 119.338 120.500 0.001 0.000 2.103 313 R HA -0.197 4.144 4.340 0.002 0.000 0.242 313 R C 2.386 178.650 176.300 -0.060 0.000 1.142 313 R CA 1.566 57.668 56.100 0.004 0.000 0.960 313 R CB -0.973 29.335 30.300 0.012 0.000 0.858 313 R HN 0.678 nan 8.270 nan 0.000 0.439 314 C N -0.243 118.961 119.300 -0.159 0.000 2.462 314 C HA -0.079 4.383 4.460 0.002 0.000 0.278 314 C C 2.268 177.271 174.990 0.021 0.000 1.253 314 C CA 0.256 59.209 59.018 -0.108 0.000 1.713 314 C CB -0.953 26.628 27.740 -0.265 0.000 2.049 314 C HN 0.615 nan 8.230 nan 0.000 0.477 315 W N 0.884 121.965 121.300 -0.366 0.000 2.436 315 W HA 0.078 4.739 4.660 0.002 0.000 0.284 315 W C 2.581 178.797 176.519 -0.506 0.000 1.225 315 W CA 1.288 58.150 57.345 -0.804 0.000 1.271 315 W CB -1.756 26.871 29.460 -1.387 0.000 1.114 315 W HN 0.321 nan 8.180 nan 0.000 0.559 316 T N -0.045 114.468 114.554 -0.069 0.000 2.708 316 T HA -0.273 4.078 4.350 0.002 0.000 0.266 316 T C 1.522 176.192 174.700 -0.050 0.000 1.037 316 T CA 1.721 63.792 62.100 -0.048 0.000 1.146 316 T CB -0.875 67.953 68.868 -0.067 0.000 0.865 316 T HN 0.117 nan 8.240 nan 0.000 0.435 317 Y N 1.956 122.168 120.300 -0.147 0.000 2.114 317 Y HA -0.140 4.411 4.550 0.002 0.000 0.282 317 Y C 2.007 177.886 175.900 -0.036 0.000 1.165 317 Y CA 1.255 59.278 58.100 -0.129 0.000 1.148 317 Y CB -0.577 37.818 38.460 -0.109 0.000 0.972 317 Y HN 0.126 nan 8.280 nan 0.000 0.504 318 L N -0.928 120.324 121.223 0.048 0.000 2.131 318 L HA -0.227 4.114 4.340 0.002 0.000 0.210 318 L C 2.277 179.211 176.870 0.107 0.000 1.092 318 L CA 1.716 56.597 54.840 0.068 0.000 0.759 318 L CB -0.934 41.299 42.059 0.291 0.000 0.903 318 L HN 0.229 nan 8.230 nan 0.000 0.435 319 T N -0.270 114.393 114.554 0.181 0.000 2.788 319 T HA -0.115 4.237 4.350 0.002 0.000 0.268 319 T C 1.862 176.557 174.700 -0.008 0.000 1.044 319 T CA 1.277 63.494 62.100 0.195 0.000 1.139 319 T CB -0.408 68.615 68.868 0.258 0.000 0.867 319 T HN 0.571 nan 8.240 nan 0.000 0.454 320 G N 0.946 109.666 108.800 -0.134 0.000 2.422 320 G HA2 -0.154 3.807 3.960 0.002 0.000 0.218 320 G HA3 -0.154 3.807 3.960 0.002 0.000 0.218 320 G C 1.682 176.449 174.900 -0.221 0.000 1.146 320 G CA 0.723 45.699 45.100 -0.205 0.000 0.769 320 G HN 0.429 nan 8.290 nan 0.000 0.547 321 V N 1.243 120.980 119.914 -0.295 0.000 2.295 321 V HA -0.156 3.965 4.120 0.002 0.000 0.246 321 V C 2.790 178.810 176.094 -0.123 0.000 1.049 321 V CA 1.584 63.739 62.300 -0.243 0.000 1.024 321 V CB -0.413 31.250 31.823 -0.265 0.000 0.648 321 V HN 0.397 nan 8.190 nan 0.000 0.447 322 I N -0.465 120.064 120.570 -0.069 0.000 2.248 322 I HA -0.273 3.898 4.170 0.002 0.000 0.248 322 I C 2.063 178.153 176.117 -0.046 0.000 1.107 322 I CA 1.680 62.957 61.300 -0.038 0.000 1.373 322 I CB -0.215 37.785 38.000 0.000 0.000 1.055 322 I HN 0.269 nan 8.210 nan 0.000 0.418 323 L N -0.039 121.151 121.223 -0.055 0.000 2.529 323 L HA 0.224 4.565 4.340 0.002 0.000 0.223 323 L C 1.314 178.149 176.870 -0.059 0.000 1.113 323 L CA 0.361 55.171 54.840 -0.050 0.000 0.861 323 L CB -0.127 41.903 42.059 -0.048 0.000 1.012 323 L HN 0.440 nan 8.230 nan 0.000 0.461 324 G N 1.014 109.766 108.800 -0.079 0.000 2.256 324 G HA2 -0.218 3.744 3.960 0.002 0.000 0.272 324 G HA3 -0.218 3.744 3.960 0.002 0.000 0.272 324 G C -0.153 174.703 174.900 -0.073 0.000 1.076 324 G CA -0.032 45.022 45.100 -0.077 0.000 0.882 324 G HN 0.123 nan 8.290 nan 0.000 0.497 325 K N 0.232 120.576 120.400 -0.093 0.000 2.259 325 K HA 0.611 4.932 4.320 0.002 0.000 0.252 325 K C 0.076 176.620 176.600 -0.094 0.000 0.936 325 K CA -0.575 55.666 56.287 -0.077 0.000 0.810 325 K CB 1.673 34.132 32.500 -0.069 0.000 1.143 325 K HN 0.088 nan 8.250 nan 0.000 0.427 326 T N 3.231 117.753 114.554 -0.053 0.000 2.749 326 T HA 0.375 4.726 4.350 0.002 0.000 0.295 326 T C 0.482 175.170 174.700 -0.020 0.000 0.936 326 T CA -0.453 61.628 62.100 -0.031 0.000 1.060 326 T CB 0.265 69.132 68.868 -0.001 0.000 0.904 326 T HN 0.194 nan 8.240 nan 0.000 0.500 327 L N 2.438 123.639 121.223 -0.036 0.000 2.357 327 L HA 0.449 4.790 4.340 0.002 0.000 0.273 327 L C 1.035 177.948 176.870 0.071 0.000 1.080 327 L CA -0.834 53.974 54.840 -0.055 0.000 0.803 327 L CB 1.317 43.159 42.059 -0.362 0.000 1.174 327 L HN 0.564 nan 8.230 nan 0.000 0.443 328 S N 0.696 116.528 115.700 0.221 0.000 2.549 328 S HA -0.033 4.438 4.470 0.002 0.000 0.283 328 S C 1.314 176.051 174.600 0.228 0.000 1.320 328 S CA 0.018 58.342 58.200 0.206 0.000 1.058 328 S CB 1.151 64.462 63.200 0.186 0.000 0.882 328 S HN 0.709 nan 8.310 nan 0.000 0.498 329 S N 3.063 118.845 115.700 0.137 0.000 2.402 329 S HA -0.111 4.360 4.470 0.002 0.000 0.233 329 S C 0.413 175.101 174.600 0.147 0.000 1.030 329 S CA 1.208 59.478 58.200 0.117 0.000 1.003 329 S CB -0.530 62.714 63.200 0.073 0.000 0.813 329 S HN 0.861 nan 8.310 nan 0.000 0.477 330 E N 1.308 121.593 120.200 0.143 0.000 2.259 330 E HA 0.213 4.564 4.350 0.002 0.000 0.281 330 E C -0.466 176.212 176.600 0.129 0.000 1.037 330 E CA -0.382 56.099 56.400 0.135 0.000 0.854 330 E CB 0.701 30.461 29.700 0.100 0.000 1.051 330 E HN 0.269 nan 8.360 nan 0.000 0.409 331 I N 5.653 126.317 120.570 0.156 0.000 2.587 331 I HA 0.048 4.220 4.170 0.002 0.000 0.284 331 I C -1.950 174.244 176.117 0.127 0.000 1.134 331 I CA -1.995 59.355 61.300 0.083 0.000 1.410 331 I CB -0.428 37.599 38.000 0.045 0.000 1.392 331 I HN 0.251 nan 8.210 nan 0.000 0.545 332 P HA 0.057 nan 4.420 nan 0.000 0.271 332 P C -0.369 177.025 177.300 0.157 0.000 1.218 332 P CA -0.358 62.678 63.100 -0.106 0.000 0.780 332 P CB 0.508 31.995 31.700 -0.355 0.000 0.901 333 D N 1.993 122.345 120.400 -0.081 0.000 2.488 333 D HA 0.046 4.687 4.640 0.002 0.000 0.238 333 D C 0.038 176.399 176.300 0.102 0.000 1.138 333 D CA 1.063 54.931 54.000 -0.220 0.000 0.873 333 D CB 0.184 40.731 40.800 -0.421 0.000 1.183 333 D HN 0.519 nan 8.370 nan 0.000 0.458 334 H N 0.672 119.751 119.070 0.016 0.000 2.887 334 H HA 0.149 4.707 4.556 0.002 0.000 0.290 334 H C 0.538 175.904 175.328 0.063 0.000 1.429 334 H CA -0.600 55.465 56.048 0.028 0.000 1.137 334 H CB 0.223 30.013 29.762 0.046 0.000 1.824 334 H HN 0.460 nan 8.280 nan 0.000 0.520 335 E N 0.225 120.386 120.200 -0.065 0.000 2.169 335 E HA -0.185 4.166 4.350 0.002 0.000 0.202 335 E C 0.002 176.268 176.600 -0.556 0.000 1.016 335 E CA 2.169 58.374 56.400 -0.326 0.000 0.817 335 E CB -0.110 29.350 29.700 -0.400 0.000 0.736 335 E HN 0.389 nan 8.360 nan 0.000 0.462 336 F N -0.864 118.935 119.950 -0.252 0.000 2.708 336 F HA 0.204 4.732 4.527 0.002 0.000 0.300 336 F C 0.939 176.710 175.800 -0.048 0.000 1.118 336 F CA -0.605 57.358 58.000 -0.061 0.000 1.307 336 F CB -0.051 39.069 39.000 0.200 0.000 0.986 336 F HN 0.004 nan 8.300 nan 0.000 0.522 337 F N 1.793 121.522 119.950 -0.369 0.000 2.111 337 F HA -0.378 4.150 4.527 0.002 0.000 0.300 337 F C 2.745 178.761 175.800 0.359 0.000 1.088 337 F CA 2.382 60.377 58.000 -0.009 0.000 1.243 337 F CB -0.304 38.642 39.000 -0.090 0.000 0.996 337 F HN 0.156 nan 8.300 nan 0.000 0.483 338 T N -1.650 113.058 114.554 0.256 0.000 2.915 338 T HA -0.085 4.266 4.350 0.002 0.000 0.269 338 T C 2.002 176.729 174.700 0.045 0.000 1.071 338 T CA 0.816 63.036 62.100 0.199 0.000 1.132 338 T CB -0.947 68.024 68.868 0.171 0.000 0.878 338 T HN 0.328 nan 8.240 nan 0.000 0.479 339 A N 0.293 123.122 122.820 0.016 0.000 2.131 339 A HA 0.035 4.357 4.320 0.002 0.000 0.220 339 A C 1.643 178.930 177.584 -0.495 0.000 1.158 339 A CA 0.885 52.784 52.037 -0.231 0.000 0.665 339 A CB -0.984 17.840 19.000 -0.294 0.000 0.795 339 A HN 0.713 nan 8.150 nan 0.000 0.460 340 Y N -0.251 119.919 120.300 -0.216 0.000 2.468 340 Y HA 0.318 4.870 4.550 0.003 0.000 0.268 340 Y C 1.687 177.123 175.900 -0.773 0.000 1.177 340 Y CA -0.404 57.497 58.100 -0.331 0.000 1.265 340 Y CB -0.194 38.160 38.460 -0.178 0.000 1.103 340 Y HN 0.279 nan 8.280 nan 0.000 0.522 341 G N 1.084 109.376 108.800 -0.846 0.000 2.572 341 G HA2 0.236 4.198 3.960 0.002 0.000 0.261 341 G HA3 0.236 4.198 3.960 0.002 0.000 0.261 341 G C -1.300 173.276 174.900 -0.539 0.000 1.197 341 G CA -0.911 43.489 45.100 -1.167 0.000 0.870 341 G HN 0.064 nan 8.290 nan 0.000 0.548 342 P HA 0.147 nan 4.420 nan 0.000 0.255 342 P C -0.017 177.113 177.300 -0.283 0.000 1.248 342 P CA 0.478 63.394 63.100 -0.306 0.000 0.807 342 P CB 0.775 32.418 31.700 -0.095 0.000 1.150 343 D N -1.406 118.777 120.400 -0.363 0.000 2.423 343 D HA 0.034 4.675 4.640 0.002 0.000 0.212 343 D C 0.108 176.445 176.300 0.062 0.000 1.060 343 D CA 0.106 54.065 54.000 -0.068 0.000 0.872 343 D CB -0.337 40.436 40.800 -0.044 0.000 1.012 343 D HN 0.029 nan 8.370 nan 0.000 0.503 344 Y N -0.482 119.803 120.300 -0.024 0.000 3.689 344 Y HA -0.240 4.311 4.550 0.002 0.000 0.221 344 Y C 0.159 176.076 175.900 0.028 0.000 1.247 344 Y CA -0.136 57.940 58.100 -0.041 0.000 1.671 344 Y CB -2.356 36.042 38.460 -0.102 0.000 1.521 344 Y HN -0.092 nan 8.280 nan 0.000 0.632 345 V N -2.878 117.099 119.914 0.105 0.000 2.881 345 V HA 0.589 4.710 4.120 0.002 0.000 0.316 345 V C 0.796 176.938 176.094 0.080 0.000 1.070 345 V CA -0.981 61.375 62.300 0.093 0.000 0.976 345 V CB 1.981 33.837 31.823 0.056 0.000 1.038 345 V HN 0.085 nan 8.190 nan 0.000 0.446 346 L N 0.793 122.062 121.223 0.077 0.000 2.131 346 L HA 0.279 4.620 4.340 0.002 0.000 0.206 346 L C 1.261 178.111 176.870 -0.034 0.000 1.087 346 L CA 1.349 56.215 54.840 0.043 0.000 0.767 346 L CB -0.553 41.536 42.059 0.050 0.000 0.917 346 L HN 0.907 nan 8.230 nan 0.000 0.441 347 E N 0.174 120.345 120.200 -0.049 0.000 2.413 347 E HA 0.214 4.566 4.350 0.002 0.000 0.263 347 E C -0.534 176.012 176.600 -0.090 0.000 1.015 347 E CA 0.584 56.922 56.400 -0.102 0.000 0.916 347 E CB 0.488 30.140 29.700 -0.081 0.000 0.947 347 E HN 0.205 nan 8.360 nan 0.000 0.440 348 I N 1.927 122.425 120.570 -0.121 0.000 2.404 348 I HA 0.203 4.374 4.170 0.002 0.000 0.293 348 I C -0.151 175.913 176.117 -0.088 0.000 0.992 348 I CA -0.631 60.609 61.300 -0.099 0.000 1.149 348 I CB 1.928 39.862 38.000 -0.110 0.000 1.315 348 I HN 0.320 nan 8.210 nan 0.000 0.446 349 T N 6.707 121.221 114.554 -0.068 0.000 2.806 349 T HA 0.315 4.666 4.350 0.002 0.000 0.290 349 T C -2.295 172.375 174.700 -0.050 0.000 0.966 349 T CA -1.071 60.996 62.100 -0.056 0.000 1.060 349 T CB 0.898 69.740 68.868 -0.044 0.000 0.927 349 T HN 0.286 nan 8.240 nan 0.000 0.485 350 P HA 0.083 nan 4.420 nan 0.000 0.265 350 P C 0.081 177.365 177.300 -0.025 0.000 1.187 350 P CA -0.186 62.893 63.100 -0.034 0.000 0.766 350 P CB 0.373 32.054 31.700 -0.032 0.000 0.820 351 S N 1.491 117.181 115.700 -0.017 0.000 2.641 351 S HA 0.075 4.546 4.470 0.002 0.000 0.261 351 S C 1.060 175.655 174.600 -0.008 0.000 1.257 351 S CA -0.040 58.153 58.200 -0.011 0.000 0.983 351 S CB 0.014 63.212 63.200 -0.003 0.000 0.990 351 S HN 0.686 nan 8.310 nan 0.000 0.572 352 C N -0.043 119.253 119.300 -0.006 0.000 2.614 352 C HA 0.467 4.928 4.460 0.002 0.000 0.299 352 C C 0.885 175.875 174.990 0.000 0.000 1.293 352 C CA -1.098 57.917 59.018 -0.004 0.000 1.713 352 C CB -1.622 26.115 27.740 -0.005 0.000 1.890 352 C HN 0.626 nan 8.230 nan 0.000 0.602 353 R N 2.919 123.422 120.500 0.004 0.000 2.679 353 R HA 0.274 4.615 4.340 0.002 0.000 0.268 353 R C -2.032 174.273 176.300 0.008 0.000 1.044 353 R CA -0.599 55.507 56.100 0.010 0.000 1.105 353 R CB 0.058 30.370 30.300 0.019 0.000 0.989 353 R HN 0.401 nan 8.270 nan 0.000 0.447 354 P HA -0.019 nan 4.420 nan 0.000 0.271 354 P C -0.589 176.714 177.300 0.006 0.000 1.218 354 P CA -0.200 62.903 63.100 0.005 0.000 0.780 354 P CB 0.526 32.230 31.700 0.006 0.000 0.901 355 D N 2.495 122.893 120.400 -0.002 0.000 2.339 355 D HA 0.045 4.686 4.640 0.002 0.000 0.241 355 D C 0.781 177.077 176.300 -0.007 0.000 1.183 355 D CA -0.254 53.740 54.000 -0.010 0.000 0.859 355 D CB 0.409 41.197 40.800 -0.019 0.000 1.067 355 D HN 0.038 nan 8.370 nan 0.000 0.484 356 R N 2.907 123.407 120.500 -0.001 0.000 2.320 356 R HA 0.109 4.451 4.340 0.002 0.000 0.211 356 R C -0.204 176.094 176.300 -0.003 0.000 0.931 356 R CA -0.071 56.032 56.100 0.004 0.000 1.071 356 R CB -0.322 29.987 30.300 0.015 0.000 1.025 356 R HN 0.403 nan 8.270 nan 0.000 0.495 357 N N 2.464 121.152 118.700 -0.020 0.000 2.469 357 N HA 0.025 4.766 4.740 0.002 0.000 0.239 357 N C -0.370 175.124 175.510 -0.026 0.000 1.053 357 N CA -0.012 53.018 53.050 -0.032 0.000 0.937 357 N CB 1.194 39.642 38.487 -0.066 0.000 1.163 357 N HN -0.114 nan 8.380 nan 0.000 0.509 358 E N 2.281 122.473 120.200 -0.012 0.000 2.366 358 E HA 0.058 4.409 4.350 0.002 0.000 0.266 358 E C -1.328 175.269 176.600 -0.004 0.000 1.015 358 E CA -1.760 54.642 56.400 0.004 0.000 0.906 358 E CB 0.852 30.569 29.700 0.029 0.000 0.979 358 E HN 0.336 nan 8.360 nan 0.000 0.443 359 P HA -0.131 nan 4.420 nan 0.000 0.220 359 P C 1.089 178.393 177.300 0.007 0.000 1.148 359 P CA 1.102 64.196 63.100 -0.009 0.000 0.803 359 P CB 0.200 31.898 31.700 -0.003 0.000 0.782 360 H N -0.044 118.990 119.070 -0.059 0.000 2.357 360 H HA -0.079 4.478 4.556 0.002 0.000 0.301 360 H C 2.183 177.456 175.328 -0.091 0.000 1.082 360 H CA 1.696 57.705 56.048 -0.066 0.000 1.342 360 H CB -0.188 29.546 29.762 -0.048 0.000 1.389 360 H HN -0.243 nan 8.280 nan 0.000 0.511 361 R N 0.435 120.843 120.500 -0.153 0.000 2.075 361 R HA -0.040 4.301 4.340 0.002 0.000 0.232 361 R C 2.107 178.261 176.300 -0.242 0.000 1.126 361 R CA 1.314 57.279 56.100 -0.225 0.000 0.963 361 R CB -0.748 29.500 30.300 -0.087 0.000 0.858 361 R HN 0.372 nan 8.270 nan 0.000 0.435 362 I N 0.933 121.398 120.570 -0.174 0.000 2.208 362 I HA -0.240 3.932 4.170 0.002 0.000 0.245 362 I C 2.145 178.130 176.117 -0.220 0.000 1.097 362 I CA 1.455 62.648 61.300 -0.180 0.000 1.363 362 I CB -1.180 36.737 38.000 -0.139 0.000 1.051 362 I HN 0.298 nan 8.210 nan 0.000 0.413 363 Q N 0.823 120.491 119.800 -0.221 0.000 2.079 363 Q HA -0.217 4.125 4.340 0.002 0.000 0.200 363 Q C 2.270 178.069 176.000 -0.335 0.000 0.974 363 Q CA 1.669 57.338 55.803 -0.224 0.000 0.840 363 Q CB -0.280 28.367 28.738 -0.151 0.000 0.898 363 Q HN 0.462 nan 8.270 nan 0.000 0.430 364 Q N -0.410 119.097 119.800 -0.489 0.000 2.077 364 Q HA -0.196 4.145 4.340 0.002 0.000 0.206 364 Q C 1.976 177.395 176.000 -0.968 0.000 0.989 364 Q CA 1.962 57.318 55.803 -0.746 0.000 0.853 364 Q CB -0.201 28.100 28.738 -0.727 0.000 0.907 364 Q HN 0.515 nan 8.270 nan 0.000 0.418 365 I N 0.132 120.350 120.570 -0.587 0.000 2.179 365 I HA -0.310 3.861 4.170 0.002 0.000 0.242 365 I C 2.132 178.089 176.117 -0.266 0.000 1.088 365 I CA 0.969 62.036 61.300 -0.390 0.000 1.357 365 I CB -0.224 37.634 38.000 -0.236 0.000 1.051 365 I HN 0.256 nan 8.210 nan 0.000 0.409 366 L N 0.362 121.439 121.223 -0.243 0.000 2.093 366 L HA -0.182 4.159 4.340 0.002 0.000 0.208 366 L C 2.309 179.104 176.870 -0.125 0.000 1.085 366 L CA 1.045 55.787 54.840 -0.164 0.000 0.755 366 L CB -0.748 41.216 42.059 -0.159 0.000 0.904 366 L HN 0.325 nan 8.230 nan 0.000 0.435 367 N N -0.535 118.061 118.700 -0.174 0.000 2.120 367 N HA -0.208 4.533 4.740 0.002 0.000 0.188 367 N C 1.825 177.366 175.510 0.053 0.000 1.024 367 N CA 1.394 54.390 53.050 -0.090 0.000 0.852 367 N CB -0.328 38.083 38.487 -0.126 0.000 1.003 367 N HN 0.264 nan 8.380 nan 0.000 0.424 368 Y N 1.469 121.737 120.300 -0.053 0.000 2.114 368 Y HA -0.007 4.544 4.550 0.002 0.000 0.284 368 Y C 2.468 178.354 175.900 -0.024 0.000 1.143 368 Y CA 0.084 58.163 58.100 -0.035 0.000 1.135 368 Y CB -1.039 37.393 38.460 -0.047 0.000 0.980 368 Y HN -0.003 nan 8.280 nan 0.000 0.499 369 I N 0.051 120.694 120.570 0.122 0.000 2.264 369 I HA -0.328 3.844 4.170 0.002 0.000 0.248 369 I C 2.573 178.711 176.117 0.034 0.000 1.111 369 I CA 1.588 62.921 61.300 0.055 0.000 1.382 369 I CB -0.358 37.642 38.000 0.000 0.000 1.060 369 I HN 0.140 nan 8.210 nan 0.000 0.418 370 K N 1.066 121.477 120.400 0.018 0.000 2.057 370 K HA -0.150 4.171 4.320 0.002 0.000 0.207 370 K C 2.162 178.767 176.600 0.007 0.000 1.049 370 K CA 1.530 57.818 56.287 0.001 0.000 0.931 370 K CB -0.393 32.100 32.500 -0.012 0.000 0.714 370 K HN 0.377 nan 8.250 nan 0.000 0.440 371 G N 1.520 110.343 108.800 0.038 0.000 2.491 371 G HA2 -0.323 3.639 3.960 0.002 0.000 0.218 371 G HA3 -0.323 3.639 3.960 0.002 0.000 0.218 371 G C 1.271 176.211 174.900 0.066 0.000 1.180 371 G CA 1.088 46.214 45.100 0.043 0.000 0.774 371 G HN 0.317 nan 8.290 nan 0.000 0.562 372 N N 0.747 119.500 118.700 0.087 0.000 2.037 372 N HA -0.118 4.624 4.740 0.002 0.000 0.196 372 N C 2.206 177.706 175.510 -0.017 0.000 1.034 372 N CA 1.182 54.274 53.050 0.070 0.000 0.861 372 N CB -0.634 37.943 38.487 0.150 0.000 1.039 372 N HN 0.331 nan 8.380 nan 0.000 0.427 373 L N 0.763 121.973 121.223 -0.021 0.000 2.376 373 L HA -0.007 4.334 4.340 0.002 0.000 0.219 373 L C 2.011 178.824 176.870 -0.094 0.000 1.133 373 L CA 0.599 55.399 54.840 -0.067 0.000 0.816 373 L CB -0.156 41.876 42.059 -0.045 0.000 0.933 373 L HN 0.113 nan 8.230 nan 0.000 0.449 374 K N -0.569 119.766 120.400 -0.110 0.000 2.280 374 K HA -0.157 4.164 4.320 0.002 0.000 0.202 374 K C 1.733 178.156 176.600 -0.295 0.000 1.047 374 K CA 1.011 57.188 56.287 -0.184 0.000 0.942 374 K CB -0.102 32.277 32.500 -0.202 0.000 0.739 374 K HN 0.400 nan 8.250 nan 0.000 0.457 375 H N -0.816 118.046 119.070 -0.346 0.000 2.524 375 H HA 0.008 4.565 4.556 0.002 0.000 0.282 375 H C -0.008 175.209 175.328 -0.186 0.000 1.016 375 H CA 0.268 56.089 56.048 -0.380 0.000 1.270 375 H CB 0.237 29.436 29.762 -0.938 0.000 1.394 375 H HN -0.154 nan 8.280 nan 0.000 0.568 376 V N 2.145 122.009 119.914 -0.083 0.000 2.368 376 V HA 0.190 4.311 4.120 0.002 0.000 0.266 376 V C -0.324 175.779 176.094 0.015 0.000 1.045 376 V CA -0.352 61.913 62.300 -0.059 0.000 0.899 376 V CB 1.022 32.708 31.823 -0.227 0.000 1.006 376 V HN -0.017 nan 8.190 nan 0.000 0.470 377 V N 6.558 126.525 119.914 0.088 0.000 2.638 377 V HA 0.509 4.630 4.120 0.002 0.000 0.306 377 V C -0.165 175.982 176.094 0.089 0.000 1.052 377 V CA -0.614 61.718 62.300 0.055 0.000 0.885 377 V CB 2.002 33.838 31.823 0.022 0.000 0.999 377 V HN 0.518 nan 8.190 nan 0.000 0.424 378 I N 0.000 120.593 120.570 0.039 0.000 2.984 378 I HA 0.000 4.171 4.170 0.002 0.000 0.288 378 I CA 0.000 61.310 61.300 0.016 0.000 1.566 378 I CB 0.000 37.961 38.000 -0.064 0.000 1.214 378 I HN 0.000 nan 8.210 nan 0.000 0.494