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 3mz6_1_A DATA FIRST_RESID 14 DATA SEQUENCE LVPVYIYSPE YVSMCDSLAK IPKRASMVHS LIEAYALHKQ MRIVKPKVAS DATA SEQUENCE MEEMATFHTD AYLQHLQKVS QEGXXXXXXX XEYGLGYLCP 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 0.000 176.872 176.870 0.004 0.000 1.165 14 L CA 0.000 54.844 54.840 0.007 0.000 0.813 14 L CB 0.000 42.066 42.059 0.012 0.000 0.961 15 V N 0.308 120.225 119.914 0.005 0.000 2.881 15 V HA 0.662 4.773 4.120 -0.015 0.000 0.303 15 V C -2.309 173.790 176.094 0.008 0.000 1.070 15 V CA -1.236 61.066 62.300 0.003 0.000 1.074 15 V CB 0.394 32.219 31.823 0.002 0.000 1.012 15 V HN 0.757 nan 8.190 nan 0.000 0.482 16 P HA 0.204 nan 4.420 nan 0.000 0.268 16 P C -0.382 176.939 177.300 0.035 0.000 1.204 16 P CA -0.018 63.085 63.100 0.006 0.000 0.768 16 P CB 0.627 32.323 31.700 -0.006 0.000 0.842 17 V N 4.640 124.572 119.914 0.031 0.000 2.614 17 V HA 0.059 4.170 4.120 -0.015 0.000 0.291 17 V C -0.197 175.960 176.094 0.105 0.000 1.049 17 V CA 0.089 62.423 62.300 0.057 0.000 1.038 17 V CB -0.087 31.748 31.823 0.021 0.000 0.980 17 V HN 0.452 nan 8.190 nan 0.000 0.481 18 Y N 5.605 125.910 120.300 0.008 0.000 2.345 18 Y HA 0.500 5.041 4.550 -0.015 0.000 0.331 18 Y C -0.022 175.922 175.900 0.074 0.000 0.959 18 Y CA -1.156 56.965 58.100 0.036 0.000 1.204 18 Y CB 0.920 39.440 38.460 0.100 0.000 1.135 18 Y HN 0.431 nan 8.280 nan 0.000 0.477 19 I N 7.664 128.066 120.570 -0.281 0.000 2.452 19 I HA 0.085 4.246 4.170 -0.015 0.000 0.287 19 I C -0.756 175.156 176.117 -0.343 0.000 1.079 19 I CA 0.082 61.214 61.300 -0.280 0.000 1.387 19 I CB -0.189 37.645 38.000 -0.276 0.000 1.404 19 I HN 0.699 nan 8.210 nan 0.000 0.522 20 Y N 5.904 126.011 120.300 -0.321 0.000 2.521 20 Y HA 0.462 5.003 4.550 -0.015 0.000 0.326 20 Y C -0.916 174.937 175.900 -0.078 0.000 1.176 20 Y CA -0.916 57.059 58.100 -0.208 0.000 1.079 20 Y CB 1.419 39.725 38.460 -0.255 0.000 1.341 20 Y HN 0.679 nan 8.280 nan 0.000 0.456 21 S N 4.217 119.342 115.700 -0.959 0.000 2.615 21 S HA 0.591 5.052 4.470 -0.015 0.000 0.269 21 S C -2.990 170.958 174.600 -1.087 0.000 1.161 21 S CA -1.273 56.270 58.200 -1.095 0.000 0.817 21 S CB 2.330 65.291 63.200 -0.399 0.000 1.131 21 S HN 0.291 nan 8.310 nan 0.000 0.467 22 P HA 0.020 nan 4.420 nan 0.000 0.217 22 P C 0.808 178.027 177.300 -0.137 0.000 1.150 22 P CA 1.376 64.326 63.100 -0.248 0.000 0.832 22 P CB -0.081 31.582 31.700 -0.061 0.000 0.787 23 E N -1.428 118.707 120.200 -0.109 0.000 2.106 23 E HA -0.181 4.160 4.350 -0.015 0.000 0.192 23 E C 2.056 178.656 176.600 0.001 0.000 0.984 23 E CA 0.911 57.292 56.400 -0.031 0.000 0.806 23 E CB -1.276 28.418 29.700 -0.011 0.000 0.750 23 E HN 0.381 nan 8.360 nan 0.000 0.458 24 Y N 0.748 120.946 120.300 -0.170 0.000 2.145 24 Y HA -0.250 4.290 4.550 -0.015 0.000 0.286 24 Y C 2.096 177.936 175.900 -0.100 0.000 1.145 24 Y CA 1.113 59.130 58.100 -0.140 0.000 1.148 24 Y CB -0.067 38.278 38.460 -0.192 0.000 0.981 24 Y HN -0.124 nan 8.280 nan 0.000 0.507 25 V N -0.260 119.527 119.914 -0.212 0.000 2.255 25 V HA -0.343 3.768 4.120 -0.015 0.000 0.247 25 V C 2.398 178.410 176.094 -0.138 0.000 1.051 25 V CA 2.185 64.372 62.300 -0.188 0.000 1.018 25 V CB -0.947 30.881 31.823 0.008 0.000 0.641 25 V HN 0.440 nan 8.190 nan 0.000 0.445 26 S N -0.440 115.217 115.700 -0.070 0.000 2.374 26 S HA -0.341 4.120 4.470 -0.015 0.000 0.227 26 S C 1.897 176.442 174.600 -0.091 0.000 1.037 26 S CA 2.443 60.617 58.200 -0.043 0.000 1.024 26 S CB -0.469 62.729 63.200 -0.004 0.000 0.861 26 S HN 0.536 nan 8.310 nan 0.000 0.456 27 M N 1.399 120.940 119.600 -0.098 0.000 2.067 27 M HA -0.091 4.380 4.480 -0.015 0.000 0.260 27 M C 2.153 178.263 176.300 -0.318 0.000 1.069 27 M CA 1.633 56.864 55.300 -0.114 0.000 1.117 27 M CB -0.984 31.633 32.600 0.028 0.000 1.334 27 M HN 0.367 nan 8.290 nan 0.000 0.407 28 C N 0.674 119.769 119.300 -0.343 0.000 2.422 28 C HA -0.125 4.326 4.460 -0.015 0.000 0.279 28 C C 2.219 177.069 174.990 -0.233 0.000 1.305 28 C CA 0.887 59.708 59.018 -0.327 0.000 1.757 28 C CB -1.484 26.008 27.740 -0.414 0.000 1.962 28 C HN 0.573 nan 8.230 nan 0.000 0.499 29 D N 1.123 121.408 120.400 -0.193 0.000 2.190 29 D HA -0.099 4.532 4.640 -0.015 0.000 0.200 29 D C 2.161 178.367 176.300 -0.156 0.000 0.992 29 D CA 1.313 55.239 54.000 -0.124 0.000 0.854 29 D CB -0.347 40.415 40.800 -0.064 0.000 0.936 29 D HN 0.431 nan 8.370 nan 0.000 0.462 30 S N 0.046 115.578 115.700 -0.279 0.000 2.500 30 S HA -0.079 4.382 4.470 -0.015 0.000 0.239 30 S C 0.708 175.147 174.600 -0.268 0.000 0.989 30 S CA -0.070 57.932 58.200 -0.329 0.000 0.951 30 S CB 0.107 62.937 63.200 -0.617 0.000 0.759 30 S HN 0.136 nan 8.310 nan 0.000 0.523 31 L N 2.276 123.373 121.223 -0.209 0.000 2.530 31 L HA 0.190 4.521 4.340 -0.015 0.000 0.273 31 L C 1.389 178.229 176.870 -0.050 0.000 1.141 31 L CA -0.463 54.336 54.840 -0.068 0.000 0.905 31 L CB -0.569 41.526 42.059 0.060 0.000 1.202 31 L HN 0.151 nan 8.230 nan 0.000 0.473 32 A N 4.182 126.972 122.820 -0.050 0.000 2.070 32 A HA -0.165 4.146 4.320 -0.015 0.000 0.220 32 A C 2.008 179.530 177.584 -0.103 0.000 1.159 32 A CA 1.353 53.349 52.037 -0.069 0.000 0.656 32 A CB -0.227 18.737 19.000 -0.060 0.000 0.800 32 A HN 0.702 nan 8.150 nan 0.000 0.453 33 K N -0.439 119.874 120.400 -0.145 0.000 2.243 33 K HA 0.167 4.478 4.320 -0.015 0.000 0.201 33 K C 0.711 177.289 176.600 -0.036 0.000 1.051 33 K CA 1.028 57.195 56.287 -0.200 0.000 0.970 33 K CB 0.032 32.233 32.500 -0.497 0.000 0.755 33 K HN 0.723 nan 8.250 nan 0.000 0.465 34 I N -1.411 119.152 120.570 -0.011 0.000 2.944 34 I HA 0.338 4.499 4.170 -0.015 0.000 0.334 34 I C -2.699 173.398 176.117 -0.033 0.000 1.420 34 I CA -2.314 58.985 61.300 -0.001 0.000 0.856 34 I CB 0.778 38.787 38.000 0.016 0.000 2.091 34 I HN -0.258 nan 8.210 nan 0.000 0.571 35 P HA 0.024 nan 4.420 nan 0.000 0.264 35 P C -0.004 177.268 177.300 -0.047 0.000 1.193 35 P CA 0.497 63.572 63.100 -0.042 0.000 0.763 35 P CB 0.861 32.543 31.700 -0.030 0.000 0.810 36 K N 0.358 120.733 120.400 -0.041 0.000 3.426 36 K HA -0.256 4.055 4.320 -0.015 0.000 0.315 36 K C 1.539 178.060 176.600 -0.132 0.000 1.293 36 K CA 1.078 57.338 56.287 -0.045 0.000 0.955 36 K CB -1.189 31.327 32.500 0.026 0.000 1.238 36 K HN 0.454 nan 8.250 nan 0.000 0.441 37 R N 0.979 121.413 120.500 -0.109 0.000 2.091 37 R HA -0.134 4.197 4.340 -0.015 0.000 0.238 37 R C 2.280 178.541 176.300 -0.065 0.000 1.136 37 R CA 1.747 57.772 56.100 -0.125 0.000 0.959 37 R CB -0.162 30.082 30.300 -0.093 0.000 0.856 37 R HN 0.395 nan 8.270 nan 0.000 0.437 38 A N -0.195 122.617 122.820 -0.013 0.000 1.898 38 A HA -0.113 4.198 4.320 -0.015 0.000 0.216 38 A C 2.165 179.812 177.584 0.104 0.000 1.181 38 A CA 1.797 53.868 52.037 0.058 0.000 0.620 38 A CB -0.414 18.574 19.000 -0.019 0.000 0.819 38 A HN 0.383 nan 8.150 nan 0.000 0.442 39 S N -0.295 115.443 115.700 0.064 0.000 2.382 39 S HA -0.144 4.317 4.470 -0.015 0.000 0.228 39 S C 2.001 176.628 174.600 0.044 0.000 1.027 39 S CA 1.712 60.009 58.200 0.161 0.000 0.991 39 S CB -0.410 62.945 63.200 0.257 0.000 0.823 39 S HN 0.578 nan 8.310 nan 0.000 0.469 40 M N 0.568 119.974 119.600 -0.323 0.000 2.117 40 M HA -0.095 4.376 4.480 -0.015 0.000 0.262 40 M C 2.139 178.423 176.300 -0.027 0.000 1.065 40 M CA 1.210 56.257 55.300 -0.423 0.000 1.114 40 M CB -0.629 31.655 32.600 -0.527 0.000 1.361 40 M HN 0.163 nan 8.290 nan 0.000 0.408 41 V N -0.634 119.299 119.914 0.033 0.000 2.270 41 V HA -0.286 3.825 4.120 -0.015 0.000 0.245 41 V C 2.296 178.493 176.094 0.171 0.000 1.043 41 V CA 2.373 64.734 62.300 0.102 0.000 1.014 41 V CB -0.898 31.049 31.823 0.208 0.000 0.645 41 V HN 0.479 nan 8.190 nan 0.000 0.447 42 H N -0.139 119.037 119.070 0.177 0.000 2.387 42 H HA -0.163 4.384 4.556 -0.016 0.000 0.299 42 H C 2.489 177.859 175.328 0.070 0.000 1.099 42 H CA 1.986 58.144 56.048 0.184 0.000 1.315 42 H CB -0.115 29.781 29.762 0.222 0.000 1.380 42 H HN 0.395 nan 8.280 nan 0.000 0.513 43 S N -1.071 114.671 115.700 0.070 0.000 2.387 43 S HA -0.079 4.382 4.470 -0.015 0.000 0.226 43 S C 2.070 176.546 174.600 -0.207 0.000 1.026 43 S CA 0.912 59.138 58.200 0.043 0.000 0.972 43 S CB -0.377 63.116 63.200 0.489 0.000 0.814 43 S HN 0.389 nan 8.310 nan 0.000 0.477 44 L N 1.575 122.687 121.223 -0.186 0.000 2.072 44 L HA 0.204 4.535 4.340 -0.015 0.000 0.205 44 L C 2.056 178.864 176.870 -0.102 0.000 1.079 44 L CA 1.455 56.126 54.840 -0.282 0.000 0.752 44 L CB -0.668 41.322 42.059 -0.116 0.000 0.906 44 L HN 0.378 nan 8.230 nan 0.000 0.436 45 I N -0.561 119.950 120.570 -0.098 0.000 2.127 45 I HA -0.346 3.815 4.170 -0.015 0.000 0.241 45 I C 2.467 178.493 176.117 -0.151 0.000 1.075 45 I CA 1.602 62.844 61.300 -0.097 0.000 1.334 45 I CB -0.312 37.626 38.000 -0.105 0.000 1.040 45 I HN 0.348 nan 8.210 nan 0.000 0.405 46 E N 0.595 120.563 120.200 -0.387 0.000 2.070 46 E HA -0.292 4.049 4.350 -0.015 0.000 0.197 46 E C 2.302 178.795 176.600 -0.178 0.000 1.004 46 E CA 1.461 57.590 56.400 -0.452 0.000 0.805 46 E CB -0.229 29.041 29.700 -0.715 0.000 0.744 46 E HN 0.543 nan 8.360 nan 0.000 0.451 47 A N 0.301 122.987 122.820 -0.223 0.000 1.986 47 A HA -0.207 4.104 4.320 -0.015 0.000 0.220 47 A C 1.661 179.128 177.584 -0.195 0.000 1.171 47 A CA 1.466 53.365 52.037 -0.231 0.000 0.640 47 A CB -0.686 18.051 19.000 -0.439 0.000 0.811 47 A HN 0.333 nan 8.150 nan 0.000 0.451 48 Y N -1.964 118.268 120.300 -0.114 0.000 2.466 48 Y HA 0.353 4.896 4.550 -0.013 0.000 0.272 48 Y C 1.628 177.508 175.900 -0.033 0.000 1.169 48 Y CA 0.432 58.491 58.100 -0.067 0.000 1.285 48 Y CB 0.139 38.555 38.460 -0.074 0.000 1.078 48 Y HN 0.540 nan 8.280 nan 0.000 0.523 49 A N -0.708 122.197 122.820 0.142 0.000 3.028 49 A HA -0.245 4.066 4.320 -0.015 0.000 0.248 49 A C 1.270 178.877 177.584 0.039 0.000 1.316 49 A CA 1.066 53.180 52.037 0.128 0.000 1.003 49 A CB -2.229 16.791 19.000 0.033 0.000 1.148 49 A HN 0.482 nan 8.150 nan 0.000 0.828 50 L N -0.966 120.297 121.223 0.068 0.000 2.191 50 L HA -0.179 4.152 4.340 -0.015 0.000 0.212 50 L C 2.350 179.167 176.870 -0.088 0.000 1.103 50 L CA 1.996 56.816 54.840 -0.033 0.000 0.769 50 L CB -0.830 41.198 42.059 -0.052 0.000 0.908 50 L HN 0.926 nan 8.230 nan 0.000 0.438 51 H N -0.967 117.983 119.070 -0.199 0.000 2.489 51 H HA -0.088 4.460 4.556 -0.014 0.000 0.293 51 H C 2.061 177.344 175.328 -0.076 0.000 1.066 51 H CA 0.771 56.696 56.048 -0.205 0.000 1.305 51 H CB -0.186 29.457 29.762 -0.199 0.000 1.386 51 H HN 0.177 nan 8.280 nan 0.000 0.551 52 K N 0.377 120.387 120.400 -0.649 0.000 2.209 52 K HA -0.108 4.203 4.320 -0.015 0.000 0.204 52 K C 1.491 177.980 176.600 -0.184 0.000 1.048 52 K CA 1.491 57.525 56.287 -0.422 0.000 0.940 52 K CB 0.090 32.361 32.500 -0.382 0.000 0.729 52 K HN 0.587 nan 8.250 nan 0.000 0.451 53 Q N -0.422 119.292 119.800 -0.143 0.000 2.280 53 Q HA 0.185 4.516 4.340 -0.015 0.000 0.201 53 Q C 0.081 176.053 176.000 -0.047 0.000 0.890 53 Q CA 0.058 55.813 55.803 -0.079 0.000 0.947 53 Q CB 0.479 29.174 28.738 -0.071 0.000 1.081 53 Q HN 0.210 nan 8.270 nan 0.000 0.502 54 M N -0.164 119.416 119.600 -0.034 0.000 2.690 54 M HA 0.412 4.883 4.480 -0.015 0.000 0.302 54 M C -0.491 175.845 176.300 0.060 0.000 1.234 54 M CA -0.872 54.440 55.300 0.020 0.000 0.853 54 M CB 2.381 35.004 32.600 0.037 0.000 1.748 54 M HN -0.140 nan 8.290 nan 0.000 0.469 55 R N 1.560 122.109 120.500 0.082 0.000 2.202 55 R HA 0.500 4.831 4.340 -0.015 0.000 0.334 55 R C -1.352 175.043 176.300 0.157 0.000 1.036 55 R CA -0.284 55.874 56.100 0.096 0.000 0.878 55 R CB 0.250 30.588 30.300 0.063 0.000 1.067 55 R HN 0.625 nan 8.270 nan 0.000 0.457 56 I N 5.130 125.815 120.570 0.191 0.000 2.396 56 I HA 0.119 4.280 4.170 -0.015 0.000 0.289 56 I C -0.325 175.881 176.117 0.148 0.000 1.056 56 I CA -0.304 61.150 61.300 0.255 0.000 1.365 56 I CB 1.464 39.667 38.000 0.339 0.000 1.407 56 I HN 0.277 nan 8.210 nan 0.000 0.509 57 V N 6.846 126.814 119.914 0.091 0.000 2.604 57 V HA 0.287 4.398 4.120 -0.015 0.000 0.305 57 V C 0.047 176.119 176.094 -0.037 0.000 1.043 57 V CA -1.008 61.303 62.300 0.019 0.000 0.888 57 V CB 1.945 33.761 31.823 -0.013 0.000 0.995 57 V HN 0.639 nan 8.190 nan 0.000 0.429 58 K N 6.628 126.997 120.400 -0.052 0.000 2.297 58 K HA 0.368 4.679 4.320 -0.015 0.000 0.286 58 K C -2.375 174.129 176.600 -0.160 0.000 1.053 58 K CA -1.307 54.914 56.287 -0.109 0.000 0.940 58 K CB 1.137 33.591 32.500 -0.078 0.000 1.019 58 K HN 0.398 nan 8.250 nan 0.000 0.475 59 P HA 0.101 nan 4.420 nan 0.000 0.275 59 P C -1.230 175.941 177.300 -0.216 0.000 1.227 59 P CA -0.184 62.723 63.100 -0.321 0.000 0.781 59 P CB 0.834 32.141 31.700 -0.656 0.000 0.906 60 K N 0.940 121.244 120.400 -0.159 0.000 2.118 60 K HA 0.366 4.677 4.320 -0.015 0.000 0.264 60 K C -0.305 176.237 176.600 -0.097 0.000 1.000 60 K CA -0.926 55.300 56.287 -0.102 0.000 0.929 60 K CB 0.780 33.240 32.500 -0.066 0.000 1.021 60 K HN 0.165 nan 8.250 nan 0.000 0.463 61 V N 2.546 122.424 119.914 -0.059 0.000 2.508 61 V HA 0.138 4.249 4.120 -0.015 0.000 0.281 61 V C 0.290 176.366 176.094 -0.030 0.000 1.041 61 V CA -0.602 61.674 62.300 -0.041 0.000 1.016 61 V CB 0.864 32.678 31.823 -0.016 0.000 0.984 61 V HN 0.879 nan 8.190 nan 0.000 0.478 62 A N 4.811 127.610 122.820 -0.035 0.000 2.477 62 A HA 0.500 4.811 4.320 -0.015 0.000 0.246 62 A C 0.796 178.383 177.584 0.006 0.000 1.078 62 A CA 0.138 52.168 52.037 -0.013 0.000 0.770 62 A CB 0.157 19.153 19.000 -0.008 0.000 1.011 62 A HN 1.109 nan 8.150 nan 0.000 0.494 63 S N 2.459 118.178 115.700 0.031 0.000 2.624 63 S HA 0.282 4.743 4.470 -0.015 0.000 0.263 63 S C 1.083 175.736 174.600 0.087 0.000 1.287 63 S CA 0.253 58.489 58.200 0.059 0.000 0.990 63 S CB 0.441 63.671 63.200 0.050 0.000 0.950 63 S HN 0.772 nan 8.310 nan 0.000 0.561 64 M N 0.925 120.597 119.600 0.120 0.000 2.149 64 M HA -0.064 4.407 4.480 -0.015 0.000 0.261 64 M C 1.842 178.209 176.300 0.112 0.000 1.064 64 M CA 1.808 57.195 55.300 0.145 0.000 1.102 64 M CB -0.753 31.927 32.600 0.134 0.000 1.369 64 M HN 0.872 nan 8.290 nan 0.000 0.408 65 E N -0.819 119.432 120.200 0.084 0.000 2.158 65 E HA -0.163 4.178 4.350 -0.015 0.000 0.191 65 E C 1.940 178.590 176.600 0.084 0.000 0.982 65 E CA 1.095 57.540 56.400 0.076 0.000 0.823 65 E CB -0.183 29.551 29.700 0.056 0.000 0.766 65 E HN 0.640 nan 8.360 nan 0.000 0.468 66 E N 0.634 120.882 120.200 0.080 0.000 2.085 66 E HA -0.161 4.180 4.350 -0.015 0.000 0.194 66 E C 1.995 178.667 176.600 0.121 0.000 0.994 66 E CA 1.160 57.610 56.400 0.084 0.000 0.801 66 E CB 0.008 29.746 29.700 0.062 0.000 0.743 66 E HN 0.234 nan 8.360 nan 0.000 0.453 67 M N -0.280 119.404 119.600 0.141 0.000 2.349 67 M HA -0.008 4.463 4.480 -0.015 0.000 0.266 67 M C 2.238 178.688 176.300 0.250 0.000 1.076 67 M CA 0.787 56.218 55.300 0.219 0.000 1.126 67 M CB 0.139 32.855 32.600 0.194 0.000 1.392 67 M HN 0.071 nan 8.290 nan 0.000 0.440 68 A N 0.518 123.444 122.820 0.177 0.000 2.172 68 A HA -0.110 4.201 4.320 -0.015 0.000 0.216 68 A C 2.148 179.807 177.584 0.125 0.000 1.154 68 A CA 1.731 53.856 52.037 0.146 0.000 0.701 68 A CB -1.163 17.900 19.000 0.104 0.000 0.789 68 A HN 0.604 nan 8.150 nan 0.000 0.465 69 T N -3.979 110.658 114.554 0.137 0.000 2.849 69 T HA -0.141 4.200 4.350 -0.015 0.000 0.270 69 T C 1.361 176.165 174.700 0.173 0.000 1.066 69 T CA 1.657 63.835 62.100 0.130 0.000 1.130 69 T CB -0.301 68.640 68.868 0.121 0.000 0.864 69 T HN 0.477 nan 8.240 nan 0.000 0.481 70 F N 0.918 120.848 119.950 -0.034 0.000 2.531 70 F HA 0.365 4.884 4.527 -0.013 0.000 0.273 70 F C 0.826 176.527 175.800 -0.165 0.000 0.960 70 F CA -0.850 57.052 58.000 -0.163 0.000 1.207 70 F CB 0.269 39.087 39.000 -0.304 0.000 1.012 70 F HN 0.079 nan 8.300 nan 0.000 0.738 71 H N 1.716 120.743 119.070 -0.071 0.000 2.582 71 H HA 0.243 4.790 4.556 -0.015 0.000 0.345 71 H C 0.395 175.695 175.328 -0.046 0.000 1.104 71 H CA 0.528 56.485 56.048 -0.152 0.000 1.390 71 H CB 0.969 30.818 29.762 0.145 0.000 1.461 71 H HN 0.141 nan 8.280 nan 0.000 0.551 72 T N -0.314 114.285 114.554 0.074 0.000 2.926 72 T HA -0.018 4.323 4.350 -0.015 0.000 0.307 72 T C 1.081 175.843 174.700 0.102 0.000 1.059 72 T CA -0.695 61.445 62.100 0.068 0.000 1.122 72 T CB 0.817 69.721 68.868 0.060 0.000 0.972 72 T HN 0.448 nan 8.240 nan 0.000 0.545 73 D N 1.790 122.227 120.400 0.062 0.000 2.178 73 D HA -0.082 4.549 4.640 -0.015 0.000 0.201 73 D C 2.281 178.585 176.300 0.007 0.000 0.980 73 D CA 1.431 55.457 54.000 0.043 0.000 0.842 73 D CB -0.284 40.537 40.800 0.034 0.000 0.948 73 D HN 0.795 nan 8.370 nan 0.000 0.472 74 A N 0.616 123.443 122.820 0.013 0.000 1.902 74 A HA -0.228 4.083 4.320 -0.015 0.000 0.217 74 A C 2.141 179.579 177.584 -0.243 0.000 1.181 74 A CA 1.157 53.176 52.037 -0.030 0.000 0.623 74 A CB -0.972 18.074 19.000 0.076 0.000 0.818 74 A HN 0.299 nan 8.150 nan 0.000 0.443 75 Y N 0.598 120.690 120.300 -0.347 0.000 2.097 75 Y HA -0.184 4.357 4.550 -0.015 0.000 0.282 75 Y C 1.950 177.691 175.900 -0.264 0.000 1.152 75 Y CA 1.872 59.651 58.100 -0.535 0.000 1.136 75 Y CB -0.522 37.818 38.460 -0.201 0.000 0.975 75 Y HN 0.210 nan 8.280 nan 0.000 0.498 76 L N -0.114 120.957 121.223 -0.254 0.000 2.046 76 L HA -0.280 4.051 4.340 -0.015 0.000 0.208 76 L C 2.515 179.269 176.870 -0.193 0.000 1.077 76 L CA 1.847 56.573 54.840 -0.190 0.000 0.747 76 L CB -0.597 41.503 42.059 0.068 0.000 0.896 76 L HN 0.287 nan 8.230 nan 0.000 0.432 77 Q N -1.459 118.229 119.800 -0.187 0.000 2.123 77 Q HA -0.222 4.109 4.340 -0.015 0.000 0.199 77 Q C 2.097 177.968 176.000 -0.215 0.000 0.966 77 Q CA 1.337 57.024 55.803 -0.193 0.000 0.845 77 Q CB -0.165 28.504 28.738 -0.115 0.000 0.907 77 Q HN 0.479 nan 8.270 nan 0.000 0.439 78 H N 0.718 119.591 119.070 -0.328 0.000 2.319 78 H HA -0.094 4.453 4.556 -0.015 0.000 0.299 78 H C 1.864 177.047 175.328 -0.243 0.000 1.092 78 H CA 1.440 57.327 56.048 -0.267 0.000 1.302 78 H CB -0.130 29.410 29.762 -0.368 0.000 1.373 78 H HN 0.140 nan 8.280 nan 0.000 0.497 79 L N 0.141 121.168 121.223 -0.327 0.000 2.012 79 L HA -0.263 4.068 4.340 -0.015 0.000 0.210 79 L C 2.521 179.291 176.870 -0.166 0.000 1.073 79 L CA 2.116 56.822 54.840 -0.223 0.000 0.748 79 L CB -0.481 41.423 42.059 -0.258 0.000 0.891 79 L HN 0.502 nan 8.230 nan 0.000 0.431 80 Q N -0.081 119.519 119.800 -0.333 0.000 2.084 80 Q HA -0.294 4.037 4.340 -0.015 0.000 0.202 80 Q C 2.213 177.973 176.000 -0.399 0.000 0.978 80 Q CA 1.981 57.389 55.803 -0.659 0.000 0.844 80 Q CB 0.040 28.173 28.738 -1.007 0.000 0.898 80 Q HN 0.363 nan 8.270 nan 0.000 0.426 81 K N -0.157 120.039 120.400 -0.339 0.000 1.985 81 K HA -0.150 4.161 4.320 -0.015 0.000 0.210 81 K C 1.991 178.445 176.600 -0.243 0.000 1.047 81 K CA 1.758 57.881 56.287 -0.274 0.000 0.932 81 K CB -0.255 32.089 32.500 -0.261 0.000 0.716 81 K HN 0.282 nan 8.250 nan 0.000 0.439 82 V N -0.864 118.871 119.914 -0.299 0.000 2.867 82 V HA -0.136 3.975 4.120 -0.015 0.000 0.260 82 V C 1.930 177.950 176.094 -0.125 0.000 1.099 82 V CA 2.190 64.371 62.300 -0.198 0.000 1.122 82 V CB -0.456 31.255 31.823 -0.186 0.000 0.708 82 V HN 0.339 nan 8.190 nan 0.000 0.490 83 S N -0.450 115.168 115.700 -0.137 0.000 2.515 83 S HA -0.099 4.362 4.470 -0.015 0.000 0.231 83 S C 1.906 176.442 174.600 -0.107 0.000 0.987 83 S CA 1.202 59.338 58.200 -0.106 0.000 0.936 83 S CB -0.222 62.934 63.200 -0.074 0.000 0.766 83 S HN 0.828 nan 8.310 nan 0.000 0.528 84 Q N 1.010 120.741 119.800 -0.116 0.000 2.178 84 Q HA -0.002 4.329 4.340 -0.015 0.000 0.195 84 Q C 2.109 178.068 176.000 -0.067 0.000 0.960 84 Q CA 1.276 57.024 55.803 -0.092 0.000 0.843 84 Q CB -0.914 27.764 28.738 -0.099 0.000 0.927 84 Q HN 0.886 nan 8.270 nan 0.000 0.487 85 E N 1.253 121.411 120.200 -0.069 0.000 2.171 85 E HA -0.103 4.238 4.350 -0.015 0.000 0.197 85 E C 0.937 177.518 176.600 -0.031 0.000 0.997 85 E CA 0.927 57.299 56.400 -0.046 0.000 0.810 85 E CB -0.450 29.221 29.700 -0.047 0.000 0.738 85 E HN 0.281 nan 8.360 nan 0.000 0.467 96 Y N 0.907 121.197 120.300 -0.017 0.000 2.708 96 Y HA 0.395 4.936 4.550 -0.015 0.000 0.287 96 Y C 1.495 177.459 175.900 0.108 0.000 1.145 96 Y CA 0.150 58.311 58.100 0.102 0.000 1.249 96 Y CB 0.865 39.519 38.460 0.324 0.000 1.152 96 Y HN 0.194 nan 8.280 nan 0.000 0.532 97 G N 0.649 109.509 108.800 0.099 0.000 2.187 97 G HA2 -0.327 3.624 3.960 -0.015 0.000 0.261 97 G HA3 -0.327 3.624 3.960 -0.015 0.000 0.261 97 G C 0.362 175.313 174.900 0.084 0.000 1.000 97 G CA 0.338 45.472 45.100 0.057 0.000 0.718 97 G HN 0.469 nan 8.290 nan 0.000 0.519 98 L N 1.221 122.545 121.223 0.168 0.000 2.919 98 L HA 0.428 4.759 4.340 -0.015 0.000 0.242 98 L C 1.799 178.750 176.870 0.135 0.000 1.366 98 L CA 0.145 55.099 54.840 0.190 0.000 1.212 98 L CB -0.607 41.638 42.059 0.310 0.000 1.604 98 L HN 0.315 nan 8.230 nan 0.000 0.433 99 G N -1.148 107.703 108.800 0.085 0.000 3.022 99 G HA2 -0.064 3.887 3.960 -0.015 0.000 0.157 99 G HA3 -0.064 3.887 3.960 -0.015 0.000 0.157 99 G C 0.506 175.466 174.900 0.100 0.000 1.468 99 G CA -0.180 44.976 45.100 0.093 0.000 1.058 99 G HN 0.180 nan 8.290 nan 0.000 0.581 100 Y N 0.462 120.760 120.300 -0.003 0.000 2.128 100 Y HA -0.089 4.452 4.550 -0.015 0.000 0.284 100 Y C 2.658 178.566 175.900 0.013 0.000 1.154 100 Y CA 1.836 59.935 58.100 -0.002 0.000 1.149 100 Y CB -0.172 38.272 38.460 -0.026 0.000 0.976 100 Y HN 0.111 nan 8.280 nan 0.000 0.505 101 L N -1.335 119.904 121.223 0.027 0.000 2.240 101 L HA -0.098 4.232 4.340 -0.015 0.000 0.211 101 L C 0.604 177.500 176.870 0.043 0.000 1.106 101 L CA 0.429 55.247 54.840 -0.037 0.000 0.793 101 L CB -0.331 41.509 42.059 -0.365 0.000 0.927 101 L HN 0.229 nan 8.230 nan 0.000 0.446 102 C N 0.772 120.042 119.300 -0.050 0.000 3.273 102 C HA 0.361 4.812 4.460 -0.015 0.000 0.227 102 C C -2.096 172.985 174.990 0.152 0.000 1.409 102 C CA -1.711 57.241 59.018 -0.109 0.000 1.516 102 C CB -0.612 26.875 27.740 -0.423 0.000 1.853 102 C HN 0.102 nan 8.230 nan 0.000 0.472 103 P HA 0.166 nan 4.420 nan 0.000 0.272 103 P C -0.015 177.429 177.300 0.241 0.000 1.223 103 P CA 0.534 63.728 63.100 0.157 0.000 0.784 103 P CB 0.906 32.641 31.700 0.059 0.000 0.923 104 A N 2.033 124.955 122.820 0.171 0.000 3.077 104 A HA 0.279 4.590 4.320 -0.015 0.000 0.255 104 A C 0.908 178.526 177.584 0.056 0.000 1.728 104 A CA -0.226 51.890 52.037 0.131 0.000 1.383 104 A CB -1.614 17.455 19.000 0.114 0.000 1.097 104 A HN 0.592 nan 8.150 nan 0.000 0.634 105 T N -1.224 113.355 114.554 0.041 0.000 2.856 105 T HA 0.273 4.614 4.350 -0.015 0.000 0.306 105 T C 0.212 174.906 174.700 -0.009 0.000 1.062 105 T CA -0.457 61.656 62.100 0.021 0.000 1.083 105 T CB 0.647 69.540 68.868 0.041 0.000 0.984 105 T HN 0.663 nan 8.240 nan 0.000 0.542 106 E N 0.452 120.650 120.200 -0.003 0.000 2.442 106 E HA 0.302 4.643 4.350 -0.015 0.000 0.262 106 E C 1.442 178.002 176.600 -0.067 0.000 1.004 106 E CA 0.635 57.017 56.400 -0.032 0.000 0.928 106 E CB -0.532 29.160 29.700 -0.013 0.000 0.937 106 E HN 1.112 nan 8.360 nan 0.000 0.446 107 G N 3.937 112.633 108.800 -0.172 0.000 2.184 107 G HA2 -0.320 3.631 3.960 -0.015 0.000 0.264 107 G HA3 -0.320 3.631 3.960 -0.015 0.000 0.264 107 G C 0.660 175.164 174.900 -0.660 0.000 0.975 107 G CA 0.371 45.208 45.100 -0.439 0.000 0.642 107 G HN 0.625 nan 8.290 nan 0.000 0.536 108 I N -0.001 120.397 120.570 -0.287 0.000 2.286 108 I HA 0.056 4.217 4.170 -0.015 0.000 0.248 108 I C 2.227 178.245 176.117 -0.166 0.000 1.115 108 I CA 1.905 63.068 61.300 -0.228 0.000 1.392 108 I CB -0.393 37.377 38.000 -0.384 0.000 1.065 108 I HN 0.347 nan 8.210 nan 0.000 0.418 109 F N 1.224 121.031 119.950 -0.238 0.000 2.126 109 F HA -0.288 4.231 4.527 -0.014 0.000 0.299 109 F C 2.165 177.883 175.800 -0.137 0.000 1.096 109 F CA 2.053 59.958 58.000 -0.159 0.000 1.255 109 F CB -0.339 38.562 39.000 -0.165 0.000 0.997 109 F HN 0.138 nan 8.300 nan 0.000 0.479 110 D N -0.760 119.551 120.400 -0.148 0.000 2.123 110 D HA -0.176 4.455 4.640 -0.015 0.000 0.200 110 D C 2.180 178.397 176.300 -0.138 0.000 0.976 110 D CA 1.373 55.261 54.000 -0.186 0.000 0.831 110 D CB -0.659 40.009 40.800 -0.220 0.000 0.974 110 D HN 0.304 nan 8.370 nan 0.000 0.469 111 Y N 1.478 121.758 120.300 -0.033 0.000 2.165 111 Y HA -0.112 4.429 4.550 -0.015 0.000 0.286 111 Y C 2.504 178.379 175.900 -0.041 0.000 1.155 111 Y CA 0.469 58.557 58.100 -0.021 0.000 1.164 111 Y CB -1.245 37.225 38.460 0.018 0.000 0.978 111 Y HN -0.072 nan 8.280 nan 0.000 0.513 112 A N 0.129 122.996 122.820 0.078 0.000 1.873 112 A HA -0.028 4.283 4.320 -0.015 0.000 0.215 112 A C 2.550 180.081 177.584 -0.089 0.000 1.186 112 A CA 1.819 53.902 52.037 0.076 0.000 0.616 112 A CB -1.281 17.791 19.000 0.120 0.000 0.823 112 A HN 0.374 nan 8.150 nan 0.000 0.442 113 A N 0.018 122.675 122.820 -0.271 0.000 1.917 113 A HA 0.034 4.345 4.320 -0.015 0.000 0.219 113 A C 2.499 180.031 177.584 -0.088 0.000 1.182 113 A CA 2.490 54.384 52.037 -0.237 0.000 0.633 113 A CB -1.067 17.719 19.000 -0.356 0.000 0.819 113 A HN 1.110 nan 8.150 nan 0.000 0.448 114 A N -0.310 122.498 122.820 -0.021 0.000 1.877 114 A HA -0.057 4.254 4.320 -0.015 0.000 0.216 114 A C 2.145 179.792 177.584 0.104 0.000 1.186 114 A CA 1.547 53.629 52.037 0.076 0.000 0.620 114 A CB -0.558 18.562 19.000 0.200 0.000 0.822 114 A HN 0.509 nan 8.150 nan 0.000 0.443 115 I N -0.478 120.122 120.570 0.050 0.000 2.286 115 I HA -0.143 4.018 4.170 -0.015 0.000 0.245 115 I C 2.705 178.779 176.117 -0.071 0.000 1.104 115 I CA 0.996 62.283 61.300 -0.021 0.000 1.397 115 I CB -0.613 37.172 38.000 -0.359 0.000 1.072 115 I HN 0.393 nan 8.210 nan 0.000 0.417 116 G N 0.631 109.399 108.800 -0.053 0.000 2.421 116 G HA2 -0.199 3.752 3.960 -0.015 0.000 0.216 116 G HA3 -0.199 3.752 3.960 -0.015 0.000 0.216 116 G C 1.739 176.624 174.900 -0.026 0.000 1.171 116 G CA 0.840 45.940 45.100 -0.001 0.000 0.775 116 G HN 0.487 nan 8.290 nan 0.000 0.543 117 G N 1.099 109.868 108.800 -0.052 0.000 2.440 117 G HA2 0.017 3.968 3.960 -0.015 0.000 0.218 117 G HA3 0.017 3.968 3.960 -0.015 0.000 0.218 117 G C 2.043 176.860 174.900 -0.138 0.000 1.154 117 G CA 1.577 46.630 45.100 -0.078 0.000 0.767 117 G HN 0.663 nan 8.290 nan 0.000 0.552 118 A N 0.091 122.783 122.820 -0.214 0.000 1.902 118 A HA -0.001 4.310 4.320 -0.015 0.000 0.217 118 A C 2.523 179.988 177.584 -0.198 0.000 1.181 118 A CA 2.412 54.245 52.037 -0.341 0.000 0.623 118 A CB -0.855 17.780 19.000 -0.609 0.000 0.818 118 A HN 0.292 nan 8.150 nan 0.000 0.443 119 T N 0.082 114.567 114.554 -0.117 0.000 2.821 119 T HA -0.021 4.320 4.350 -0.015 0.000 0.267 119 T C 1.768 176.440 174.700 -0.048 0.000 1.046 119 T CA 1.340 63.397 62.100 -0.072 0.000 1.139 119 T CB -0.347 68.503 68.868 -0.030 0.000 0.871 119 T HN 0.409 nan 8.240 nan 0.000 0.454 120 I N 1.138 121.686 120.570 -0.036 0.000 2.286 120 I HA -0.175 3.986 4.170 -0.015 0.000 0.248 120 I C 2.643 178.742 176.117 -0.030 0.000 1.115 120 I CA 1.054 62.345 61.300 -0.015 0.000 1.392 120 I CB -0.522 37.476 38.000 -0.002 0.000 1.065 120 I HN 0.252 nan 8.210 nan 0.000 0.418 121 T N 0.797 115.311 114.554 -0.066 0.000 2.708 121 T HA -0.187 4.154 4.350 -0.015 0.000 0.266 121 T C 2.090 176.753 174.700 -0.061 0.000 1.037 121 T CA 1.518 63.574 62.100 -0.073 0.000 1.146 121 T CB -0.381 68.415 68.868 -0.121 0.000 0.865 121 T HN 0.480 nan 8.240 nan 0.000 0.435 122 A N 1.522 124.294 122.820 -0.080 0.000 1.908 122 A HA 0.068 4.379 4.320 -0.015 0.000 0.218 122 A C 2.651 180.222 177.584 -0.022 0.000 1.181 122 A CA 1.995 53.993 52.037 -0.066 0.000 0.627 122 A CB -1.152 17.790 19.000 -0.098 0.000 0.818 122 A HN 0.524 nan 8.150 nan 0.000 0.445 123 A N -1.215 121.602 122.820 -0.005 0.000 1.902 123 A HA -0.207 4.104 4.320 -0.015 0.000 0.217 123 A C 2.154 179.772 177.584 0.057 0.000 1.181 123 A CA 2.149 54.210 52.037 0.039 0.000 0.623 123 A CB -0.519 18.510 19.000 0.048 0.000 0.818 123 A HN 0.502 nan 8.150 nan 0.000 0.443 124 Q N -0.257 119.559 119.800 0.028 0.000 2.084 124 Q HA -0.150 4.181 4.340 -0.015 0.000 0.202 124 Q C 2.026 178.041 176.000 0.026 0.000 0.978 124 Q CA 2.119 57.936 55.803 0.023 0.000 0.844 124 Q CB -1.100 27.641 28.738 0.004 0.000 0.898 124 Q HN 0.668 nan 8.270 nan 0.000 0.426 125 C N -0.383 118.926 119.300 0.016 0.000 2.413 125 C HA -0.100 4.351 4.460 -0.015 0.000 0.277 125 C C 2.546 177.565 174.990 0.048 0.000 1.265 125 C CA 0.659 59.689 59.018 0.020 0.000 1.752 125 C CB -1.193 26.550 27.740 0.004 0.000 1.998 125 C HN 0.500 nan 8.230 nan 0.000 0.489 126 L N -0.028 121.240 121.223 0.074 0.000 2.109 126 L HA -0.055 4.276 4.340 -0.015 0.000 0.207 126 L C 2.406 179.409 176.870 0.221 0.000 1.086 126 L CA 1.255 56.176 54.840 0.136 0.000 0.760 126 L CB -0.414 41.725 42.059 0.132 0.000 0.910 126 L HN 0.327 nan 8.230 nan 0.000 0.437 127 I N -0.172 120.499 120.570 0.167 0.000 2.394 127 I HA -0.251 3.910 4.170 -0.015 0.000 0.251 127 I C 1.355 177.474 176.117 0.004 0.000 1.136 127 I CA 1.118 62.456 61.300 0.063 0.000 1.425 127 I CB -0.129 37.882 38.000 0.018 0.000 1.079 127 I HN 0.247 nan 8.210 nan 0.000 0.425 128 D N 0.401 120.817 120.400 0.026 0.000 2.340 128 D HA 0.090 4.721 4.640 -0.015 0.000 0.220 128 D C 1.619 177.933 176.300 0.023 0.000 1.039 128 D CA 0.823 54.829 54.000 0.010 0.000 0.866 128 D CB 0.405 41.210 40.800 0.008 0.000 0.913 128 D HN 0.395 nan 8.370 nan 0.000 0.523 129 G N 1.259 110.089 108.800 0.051 0.000 2.168 129 G HA2 -0.425 3.526 3.960 -0.015 0.000 0.263 129 G HA3 -0.425 3.526 3.960 -0.015 0.000 0.263 129 G C 1.156 176.082 174.900 0.042 0.000 0.977 129 G CA 0.744 45.878 45.100 0.057 0.000 0.659 129 G HN 0.347 nan 8.290 nan 0.000 0.533 130 M N -0.443 119.178 119.600 0.034 0.000 2.192 130 M HA -0.118 4.353 4.480 -0.015 0.000 0.256 130 M C 1.531 177.847 176.300 0.028 0.000 1.076 130 M CA 2.560 57.876 55.300 0.027 0.000 1.075 130 M CB -0.271 32.343 32.600 0.023 0.000 1.368 130 M HN 1.069 nan 8.290 nan 0.000 0.406 131 C N -3.777 115.543 119.300 0.034 0.000 3.320 131 C HA 0.452 4.903 4.460 -0.015 0.000 0.335 131 C C 0.538 175.548 174.990 0.033 0.000 1.430 131 C CA -1.244 57.790 59.018 0.026 0.000 1.271 131 C CB 1.366 29.116 27.740 0.017 0.000 1.609 131 C HN 0.143 nan 8.230 nan 0.000 0.457 132 K N 0.055 120.466 120.400 0.018 0.000 2.354 132 K HA 0.341 4.652 4.320 -0.015 0.000 0.194 132 K C -0.037 176.554 176.600 -0.014 0.000 1.045 132 K CA 0.627 56.921 56.287 0.012 0.000 1.026 132 K CB 0.538 33.043 32.500 0.009 0.000 0.866 132 K HN 0.626 nan 8.250 nan 0.000 0.530 133 V N 1.059 120.960 119.914 -0.022 0.000 2.577 133 V HA 0.590 4.701 4.120 -0.015 0.000 0.303 133 V C -1.008 175.054 176.094 -0.053 0.000 1.042 133 V CA -1.252 61.018 62.300 -0.049 0.000 0.872 133 V CB 1.738 33.526 31.823 -0.058 0.000 0.998 133 V HN 0.112 nan 8.190 nan 0.000 0.423 134 A N 5.806 128.578 122.820 -0.081 0.000 2.356 134 A HA 0.928 5.239 4.320 -0.015 0.000 0.310 134 A C -0.946 176.531 177.584 -0.179 0.000 1.075 134 A CA -0.507 51.475 52.037 -0.091 0.000 0.746 134 A CB 1.025 19.986 19.000 -0.065 0.000 1.221 134 A HN 0.772 nan 8.150 nan 0.000 0.443 135 I N 2.315 122.762 120.570 -0.204 0.000 2.362 135 I HA 0.315 4.476 4.170 -0.015 0.000 0.289 135 I C -0.232 175.661 176.117 -0.374 0.000 0.994 135 I CA -0.505 60.549 61.300 -0.410 0.000 1.158 135 I CB 1.798 39.526 38.000 -0.455 0.000 1.315 135 I HN 0.632 nan 8.210 nan 0.000 0.451 136 N N 5.655 124.107 118.700 -0.413 0.000 2.746 136 N HA 0.231 4.962 4.740 -0.015 0.000 0.250 136 N C 0.034 175.421 175.510 -0.205 0.000 1.146 136 N CA -0.584 52.322 53.050 -0.241 0.000 0.828 136 N CB 0.513 38.908 38.487 -0.153 0.000 1.158 136 N HN 0.549 nan 8.380 nan 0.000 0.519 137 W N 1.521 122.743 121.300 -0.130 0.000 2.465 137 W HA -0.017 4.633 4.660 -0.017 0.000 0.268 137 W C 1.571 177.925 176.519 -0.275 0.000 1.242 137 W CA 0.148 57.293 57.345 -0.333 0.000 1.248 137 W CB 0.400 29.761 29.460 -0.165 0.000 1.118 137 W HN 0.419 nan 8.180 nan 0.000 0.587 138 S N -0.456 115.333 115.700 0.148 0.000 2.593 138 S HA 0.152 4.613 4.470 -0.015 0.000 0.217 138 S C 1.127 175.707 174.600 -0.034 0.000 0.966 138 S CA 0.292 58.537 58.200 0.075 0.000 0.914 138 S CB -0.299 62.875 63.200 -0.043 0.000 0.776 138 S HN 0.222 nan 8.310 nan 0.000 0.523 139 G N 0.006 108.781 108.800 -0.041 0.000 2.543 139 G HA2 0.489 4.440 3.960 -0.015 0.000 0.267 139 G HA3 0.489 4.440 3.960 -0.015 0.000 0.267 139 G C 0.657 175.537 174.900 -0.034 0.000 1.406 139 G CA -0.079 44.957 45.100 -0.106 0.000 1.048 139 G HN 0.683 nan 8.290 nan 0.000 0.548 140 G N -2.763 106.057 108.800 0.033 0.000 2.141 140 G HA2 -0.186 3.765 3.960 -0.015 0.000 0.195 140 G HA3 -0.186 3.765 3.960 -0.015 0.000 0.195 140 G C -0.079 174.965 174.900 0.240 0.000 1.012 140 G CA 0.051 45.222 45.100 0.118 0.000 0.696 140 G HN 0.463 nan 8.290 nan 0.000 0.508 141 W N 2.600 123.981 121.300 0.136 0.000 2.081 141 W HA 0.439 5.090 4.660 -0.014 0.000 0.433 141 W C 1.499 178.162 176.519 0.239 0.000 0.876 141 W CA -0.254 57.210 57.345 0.197 0.000 1.631 141 W CB -1.213 28.391 29.460 0.240 0.000 1.757 141 W HN 0.657 nan 8.180 nan 0.000 0.298 142 H N -1.647 117.518 119.070 0.158 0.000 2.539 142 H HA 0.084 4.631 4.556 -0.015 0.000 0.269 142 H C 1.139 176.416 175.328 -0.085 0.000 0.980 142 H CA 0.305 56.365 56.048 0.020 0.000 1.152 142 H CB 0.286 30.069 29.762 0.036 0.000 1.407 142 H HN 0.215 nan 8.280 nan 0.000 0.564 143 H N 1.214 120.404 119.070 0.199 0.000 2.525 143 H HA 0.314 4.861 4.556 -0.014 0.000 0.275 143 H C 1.166 176.526 175.328 0.052 0.000 0.984 143 H CA 0.472 56.526 56.048 0.009 0.000 1.264 143 H CB 0.062 29.844 29.762 0.034 0.000 1.432 143 H HN 0.462 nan 8.280 nan 0.000 0.549 144 A N 2.439 125.402 122.820 0.238 0.000 2.498 144 A HA 0.186 4.497 4.320 -0.015 0.000 0.239 144 A C 0.552 178.311 177.584 0.292 0.000 1.068 144 A CA 0.057 52.234 52.037 0.234 0.000 0.766 144 A CB 0.513 19.719 19.000 0.344 0.000 1.003 144 A HN 0.069 nan 8.150 nan 0.000 0.497 145 K N 0.876 121.375 120.400 0.165 0.000 2.245 145 K HA 0.241 4.552 4.320 -0.015 0.000 0.234 145 K C 1.175 177.718 176.600 -0.095 0.000 1.021 145 K CA -0.443 55.908 56.287 0.108 0.000 0.898 145 K CB 1.177 33.668 32.500 -0.014 0.000 1.163 145 K HN 0.778 nan 8.250 nan 0.000 0.459 146 K N 0.002 120.116 120.400 -0.476 0.000 2.152 146 K HA -0.175 4.136 4.320 -0.015 0.000 0.206 146 K C 0.269 176.681 176.600 -0.313 0.000 1.048 146 K CA 2.241 57.994 56.287 -0.889 0.000 0.933 146 K CB -0.044 31.930 32.500 -0.876 0.000 0.721 146 K HN 0.538 nan 8.250 nan 0.000 0.447 147 D N 0.063 120.306 120.400 -0.261 0.000 2.563 147 D HA 0.054 4.685 4.640 -0.015 0.000 0.237 147 D C -0.697 175.440 176.300 -0.271 0.000 1.282 147 D CA -0.520 53.381 54.000 -0.165 0.000 0.816 147 D CB 0.151 40.973 40.800 0.036 0.000 1.066 147 D HN 0.583 nan 8.370 nan 0.000 0.501 148 E N -0.103 119.774 120.200 -0.539 0.000 2.347 148 E HA 0.585 4.926 4.350 -0.015 0.000 0.285 148 E C -1.357 175.040 176.600 -0.339 0.000 0.925 148 E CA -1.192 54.998 56.400 -0.351 0.000 0.779 148 E CB 1.595 31.233 29.700 -0.102 0.000 1.233 148 E HN 0.021 nan 8.360 nan 0.000 0.414 149 A N 2.404 125.134 122.820 -0.149 0.000 2.366 149 A HA 0.609 4.920 4.320 -0.015 0.000 0.249 149 A C -0.047 177.470 177.584 -0.112 0.000 1.084 149 A CA 0.197 52.185 52.037 -0.081 0.000 0.794 149 A CB 1.031 20.018 19.000 -0.022 0.000 1.034 149 A HN 0.577 nan 8.150 nan 0.000 0.491 150 S N -0.535 115.067 115.700 -0.163 0.000 2.570 150 S HA 0.495 4.956 4.470 -0.015 0.000 0.286 150 S C -0.011 174.479 174.600 -0.184 0.000 1.143 150 S CA 0.616 58.752 58.200 -0.107 0.000 0.921 150 S CB 0.489 63.695 63.200 0.010 0.000 1.108 150 S HN 2.686 nan 8.310 nan 0.000 0.456 151 G N 3.565 112.124 108.800 -0.401 0.000 2.371 151 G HA2 -0.257 3.694 3.960 -0.015 0.000 0.299 151 G HA3 -0.257 3.694 3.960 -0.015 0.000 0.299 151 G C 0.509 175.010 174.900 -0.666 0.000 1.014 151 G CA 0.620 45.193 45.100 -0.880 0.000 1.097 151 G HN 1.596 nan 8.290 nan 0.000 0.512 152 F N -4.426 115.268 119.950 -0.426 0.000 2.748 152 F HA -0.318 4.200 4.527 -0.016 0.000 0.370 152 F C 1.408 176.711 175.800 -0.828 0.000 0.620 152 F CA 0.309 58.033 58.000 -0.461 0.000 1.233 152 F CB -1.945 36.932 39.000 -0.205 0.000 1.708 152 F HN 0.542 nan 8.300 nan 0.000 0.298 153 C N 1.052 119.963 119.300 -0.649 0.000 2.255 153 C HA 0.383 4.834 4.460 -0.015 0.000 0.326 153 C C 1.209 175.839 174.990 -0.599 0.000 1.258 153 C CA -0.309 58.199 59.018 -0.850 0.000 1.676 153 C CB -0.487 27.155 27.740 -0.162 0.000 2.314 153 C HN 0.311 nan 8.230 nan 0.000 0.509 154 Y N 1.643 121.637 120.300 -0.509 0.000 2.478 154 Y HA 0.438 4.978 4.550 -0.015 0.000 0.261 154 Y C 0.469 176.547 175.900 0.296 0.000 1.127 154 Y CA -0.037 58.096 58.100 0.056 0.000 1.288 154 Y CB 0.155 38.688 38.460 0.121 0.000 1.084 154 Y HN 0.534 nan 8.280 nan 0.000 0.530 155 L N 0.010 121.631 121.223 0.663 0.000 2.505 155 L HA 0.405 4.736 4.340 -0.015 0.000 0.259 155 L C -1.147 176.182 176.870 0.765 0.000 0.952 155 L CA -0.617 54.565 54.840 0.571 0.000 0.840 155 L CB 1.663 44.017 42.059 0.492 0.000 1.358 155 L HN -0.169 nan 8.230 nan 0.000 0.409 156 N N 2.905 122.139 118.700 0.890 0.000 2.868 156 N HA 0.067 4.798 4.740 -0.015 0.000 0.252 156 N C 0.372 176.076 175.510 0.324 0.000 1.130 156 N CA 0.047 53.411 53.050 0.523 0.000 1.026 156 N CB 0.538 39.222 38.487 0.328 0.000 1.335 156 N HN 0.792 nan 8.380 nan 0.000 0.516 157 D N 1.838 122.416 120.400 0.297 0.000 2.178 157 D HA -0.176 4.455 4.640 -0.015 0.000 0.201 157 D C 1.282 177.640 176.300 0.097 0.000 0.980 157 D CA 0.635 54.728 54.000 0.154 0.000 0.842 157 D CB -0.016 40.822 40.800 0.064 0.000 0.948 157 D HN 0.365 nan 8.370 nan 0.000 0.472 158 A N 1.100 123.984 122.820 0.107 0.000 1.902 158 A HA -0.068 4.243 4.320 -0.015 0.000 0.217 158 A C 2.668 180.249 177.584 -0.005 0.000 1.181 158 A CA 1.505 53.587 52.037 0.074 0.000 0.623 158 A CB -0.818 18.242 19.000 0.100 0.000 0.818 158 A HN 0.200 nan 8.150 nan 0.000 0.443 159 V N 0.268 120.123 119.914 -0.097 0.000 2.270 159 V HA -0.255 3.856 4.120 -0.015 0.000 0.245 159 V C 2.579 178.638 176.094 -0.059 0.000 1.043 159 V CA 1.924 64.111 62.300 -0.190 0.000 1.014 159 V CB -0.833 30.477 31.823 -0.856 0.000 0.645 159 V HN 0.584 nan 8.190 nan 0.000 0.447 160 L N 0.420 121.627 121.223 -0.026 0.000 2.021 160 L HA -0.198 4.133 4.340 -0.015 0.000 0.215 160 L C 2.651 179.560 176.870 0.065 0.000 1.074 160 L CA 2.042 56.918 54.840 0.059 0.000 0.760 160 L CB -1.367 40.755 42.059 0.105 0.000 0.889 160 L HN 0.499 nan 8.230 nan 0.000 0.433 161 G N 0.193 109.026 108.800 0.056 0.000 2.421 161 G HA2 -0.222 3.729 3.960 -0.015 0.000 0.216 161 G HA3 -0.222 3.729 3.960 -0.015 0.000 0.216 161 G C 1.581 176.522 174.900 0.068 0.000 1.171 161 G CA 0.821 45.954 45.100 0.055 0.000 0.775 161 G HN 0.293 nan 8.290 nan 0.000 0.543 162 I N 0.459 121.069 120.570 0.067 0.000 2.163 162 I HA -0.169 3.992 4.170 -0.015 0.000 0.243 162 I C 2.719 178.885 176.117 0.081 0.000 1.085 162 I CA 0.802 62.126 61.300 0.040 0.000 1.347 162 I CB -0.226 37.735 38.000 -0.065 0.000 1.044 162 I HN 0.122 nan 8.210 nan 0.000 0.408 163 L N 0.082 121.393 121.223 0.148 0.000 2.131 163 L HA -0.222 4.109 4.340 -0.015 0.000 0.210 163 L C 2.722 179.658 176.870 0.111 0.000 1.092 163 L CA 1.050 55.984 54.840 0.157 0.000 0.759 163 L CB -0.542 41.612 42.059 0.158 0.000 0.903 163 L HN 0.230 nan 8.230 nan 0.000 0.435 164 R N 0.948 121.505 120.500 0.094 0.000 2.066 164 R HA -0.099 4.232 4.340 -0.015 0.000 0.232 164 R C 2.125 178.485 176.300 0.099 0.000 1.131 164 R CA 1.505 57.654 56.100 0.081 0.000 0.955 164 R CB -0.709 29.631 30.300 0.067 0.000 0.851 164 R HN 0.231 nan 8.270 nan 0.000 0.432 165 L N 0.427 121.730 121.223 0.134 0.000 2.187 165 L HA -0.111 4.220 4.340 -0.015 0.000 0.213 165 L C 2.361 179.370 176.870 0.232 0.000 1.100 165 L CA 0.997 55.980 54.840 0.238 0.000 0.765 165 L CB -0.388 41.813 42.059 0.236 0.000 0.904 165 L HN 0.149 nan 8.230 nan 0.000 0.437 166 R N 0.272 120.856 120.500 0.140 0.000 2.189 166 R HA -0.079 4.252 4.340 -0.015 0.000 0.223 166 R C 2.230 178.568 176.300 0.062 0.000 1.092 166 R CA 0.744 56.909 56.100 0.108 0.000 0.989 166 R CB -0.287 30.069 30.300 0.093 0.000 0.876 166 R HN 0.444 nan 8.270 nan 0.000 0.457 167 R N 0.291 120.816 120.500 0.041 0.000 2.105 167 R HA -0.174 4.157 4.340 -0.015 0.000 0.239 167 R C 2.109 178.366 176.300 -0.073 0.000 1.135 167 R CA 1.741 57.838 56.100 -0.006 0.000 0.967 167 R CB -0.059 30.237 30.300 -0.007 0.000 0.861 167 R HN 0.021 nan 8.270 nan 0.000 0.442 168 K N -0.444 119.871 120.400 -0.142 0.000 2.306 168 K HA 0.097 4.408 4.320 -0.015 0.000 0.200 168 K C -0.361 175.982 176.600 -0.428 0.000 1.083 168 K CA 0.487 56.534 56.287 -0.399 0.000 0.959 168 K CB 0.508 32.556 32.500 -0.753 0.000 0.994 168 K HN -0.119 nan 8.250 nan 0.000 0.492 169 F N 1.472 121.423 119.950 0.002 0.000 2.458 169 F HA 0.276 4.794 4.527 -0.016 0.000 0.336 169 F C 1.115 176.908 175.800 -0.012 0.000 1.114 169 F CA -0.906 57.091 58.000 -0.006 0.000 0.987 169 F CB 1.932 40.934 39.000 0.004 0.000 1.130 169 F HN 0.071 nan 8.300 nan 0.000 0.458 170 E N 2.530 122.814 120.200 0.139 0.000 2.072 170 E HA -0.035 4.306 4.350 -0.015 0.000 0.191 170 E C 0.012 176.634 176.600 0.036 0.000 0.985 170 E CA 1.388 57.818 56.400 0.050 0.000 0.801 170 E CB 0.302 30.002 29.700 -0.000 0.000 0.750 170 E HN 0.539 nan 8.360 nan 0.000 0.452 171 R N 0.328 120.834 120.500 0.008 0.000 2.513 171 R HA 0.397 4.728 4.340 -0.015 0.000 0.301 171 R C -0.988 175.378 176.300 0.111 0.000 0.968 171 R CA -0.766 55.323 56.100 -0.019 0.000 0.872 171 R CB 1.694 31.698 30.300 -0.493 0.000 1.177 171 R HN 0.131 nan 8.270 nan 0.000 0.444 172 I N 4.208 124.926 120.570 0.247 0.000 2.433 172 I HA 0.292 4.453 4.170 -0.015 0.000 0.292 172 I C -0.518 175.764 176.117 0.275 0.000 1.001 172 I CA -1.041 60.365 61.300 0.177 0.000 1.119 172 I CB 1.539 39.556 38.000 0.029 0.000 1.289 172 I HN 0.411 nan 8.210 nan 0.000 0.438 173 L N 8.055 129.428 121.223 0.249 0.000 2.282 173 L HA 0.428 4.759 4.340 -0.015 0.000 0.288 173 L C -1.250 175.718 176.870 0.162 0.000 1.033 173 L CA -0.368 54.584 54.840 0.186 0.000 0.807 173 L CB 1.129 43.336 42.059 0.246 0.000 1.209 173 L HN 0.464 nan 8.230 nan 0.000 0.423 174 Y N 5.315 125.620 120.300 0.010 0.000 2.334 174 Y HA 0.692 5.234 4.550 -0.014 0.000 0.336 174 Y C -1.278 174.672 175.900 0.083 0.000 0.960 174 Y CA -0.785 57.335 58.100 0.034 0.000 1.164 174 Y CB 1.407 39.867 38.460 -0.000 0.000 1.155 174 Y HN 0.401 nan 8.280 nan 0.000 0.478 175 V N 6.283 125.909 119.914 -0.481 0.000 2.495 175 V HA 0.315 4.426 4.120 -0.015 0.000 0.298 175 V C -0.968 174.812 176.094 -0.522 0.000 1.031 175 V CA -0.786 61.326 62.300 -0.313 0.000 0.871 175 V CB 1.706 33.498 31.823 -0.051 0.000 0.988 175 V HN 0.749 nan 8.190 nan 0.000 0.432 176 D N 4.380 124.637 120.400 -0.238 0.000 2.469 176 D HA 0.378 5.009 4.640 -0.015 0.000 0.251 176 D C 0.066 176.475 176.300 0.181 0.000 1.173 176 D CA -0.287 53.682 54.000 -0.050 0.000 0.882 176 D CB 1.723 42.646 40.800 0.205 0.000 1.129 176 D HN 0.452 nan 8.370 nan 0.000 0.549 177 L N 2.406 123.749 121.223 0.199 0.000 2.741 177 L HA 0.213 4.544 4.340 -0.015 0.000 0.237 177 L C 1.184 178.264 176.870 0.350 0.000 1.178 177 L CA -0.398 54.636 54.840 0.322 0.000 0.973 177 L CB 0.089 42.344 42.059 0.327 0.000 1.255 177 L HN 0.317 nan 8.230 nan 0.000 0.498 178 D N 0.769 121.371 120.400 0.336 0.000 2.390 178 D HA -0.086 4.545 4.640 -0.015 0.000 0.236 178 D C 1.142 177.669 176.300 0.378 0.000 1.189 178 D CA -0.044 54.172 54.000 0.360 0.000 0.887 178 D CB 1.517 42.548 40.800 0.384 0.000 1.198 178 D HN -0.006 nan 8.370 nan 0.000 0.444 179 L N 3.291 124.668 121.223 0.256 0.000 2.081 179 L HA -0.169 4.162 4.340 -0.015 0.000 0.212 179 L C 0.397 177.324 176.870 0.095 0.000 1.080 179 L CA 1.883 56.698 54.840 -0.042 0.000 0.754 179 L CB -0.558 41.364 42.059 -0.227 0.000 0.893 179 L HN 0.420 nan 8.230 nan 0.000 0.433 180 H N -1.571 117.810 119.070 0.517 0.000 2.472 180 H HA 0.247 4.794 4.556 -0.015 0.000 0.335 180 H C -0.230 175.379 175.328 0.469 0.000 1.136 180 H CA -0.484 55.901 56.048 0.562 0.000 1.264 180 H CB 0.428 30.566 29.762 0.625 0.000 1.486 180 H HN 0.154 nan 8.280 nan 0.000 0.517 181 H N 1.629 120.822 119.070 0.206 0.000 3.034 181 H HA -0.018 4.529 4.556 -0.015 0.000 0.324 181 H C 0.505 175.775 175.328 -0.098 0.000 1.015 181 H CA -0.175 55.745 56.048 -0.213 0.000 1.429 181 H CB 0.515 29.947 29.762 -0.551 0.000 1.429 181 H HN 0.956 nan 8.280 nan 0.000 0.585 182 G N 4.853 113.489 108.800 -0.274 0.000 3.316 182 G HA2 -0.114 3.837 3.960 -0.015 0.000 0.255 182 G HA3 -0.114 3.837 3.960 -0.015 0.000 0.255 182 G C 1.014 175.557 174.900 -0.596 0.000 0.880 182 G CA 0.028 44.910 45.100 -0.362 0.000 1.956 182 G HN 0.844 nan 8.290 nan 0.000 0.634 183 D N 0.930 120.837 120.400 -0.820 0.000 2.149 183 D HA -0.141 4.490 4.640 -0.015 0.000 0.198 183 D C 2.174 178.339 176.300 -0.225 0.000 0.990 183 D CA 1.289 54.948 54.000 -0.570 0.000 0.839 183 D CB -0.733 39.885 40.800 -0.304 0.000 0.948 183 D HN 0.270 nan 8.370 nan 0.000 0.460 184 G N 0.755 109.465 108.800 -0.150 0.000 2.421 184 G HA2 -0.186 3.765 3.960 -0.015 0.000 0.216 184 G HA3 -0.186 3.765 3.960 -0.015 0.000 0.216 184 G C 1.910 176.746 174.900 -0.107 0.000 1.171 184 G CA 1.540 46.616 45.100 -0.040 0.000 0.775 184 G HN 0.325 nan 8.290 nan 0.000 0.543 185 V N 0.818 120.628 119.914 -0.174 0.000 2.307 185 V HA -0.148 3.963 4.120 -0.015 0.000 0.245 185 V C 2.538 178.582 176.094 -0.085 0.000 1.045 185 V CA 2.180 64.335 62.300 -0.241 0.000 1.024 185 V CB -0.543 30.933 31.823 -0.578 0.000 0.651 185 V HN 0.588 nan 8.190 nan 0.000 0.449 186 E N 0.402 120.564 120.200 -0.063 0.000 2.058 186 E HA -0.301 4.040 4.350 -0.015 0.000 0.194 186 E C 1.845 178.450 176.600 0.007 0.000 0.997 186 E CA 1.849 58.266 56.400 0.028 0.000 0.801 186 E CB -0.135 29.592 29.700 0.046 0.000 0.746 186 E HN 0.594 nan 8.360 nan 0.000 0.450 187 D N 0.172 120.551 120.400 -0.035 0.000 2.144 187 D HA -0.121 4.510 4.640 -0.015 0.000 0.199 187 D C 1.839 178.123 176.300 -0.028 0.000 0.984 187 D CA 1.297 55.286 54.000 -0.019 0.000 0.834 187 D CB -0.374 40.429 40.800 0.004 0.000 0.955 187 D HN 0.329 nan 8.370 nan 0.000 0.465 188 A N -0.119 122.616 122.820 -0.142 0.000 1.940 188 A HA -0.139 4.172 4.320 -0.015 0.000 0.219 188 A C 1.526 178.791 177.584 -0.531 0.000 1.176 188 A CA 1.050 52.855 52.037 -0.386 0.000 0.631 188 A CB -0.640 17.789 19.000 -0.951 0.000 0.814 188 A HN 0.252 nan 8.150 nan 0.000 0.446 189 F N -1.396 118.546 119.950 -0.013 0.000 2.668 189 F HA 0.217 4.737 4.527 -0.013 0.000 0.301 189 F C 2.085 177.886 175.800 0.000 0.000 1.106 189 F CA 0.327 58.331 58.000 0.006 0.000 1.289 189 F CB 0.325 39.306 39.000 -0.032 0.000 1.006 189 F HN 0.165 nan 8.300 nan 0.000 0.535 190 S N 0.041 115.773 115.700 0.053 0.000 2.419 190 S HA -0.155 4.306 4.470 -0.015 0.000 0.233 190 S C 1.498 175.938 174.600 -0.267 0.000 1.016 190 S CA 1.508 59.616 58.200 -0.152 0.000 0.974 190 S CB -0.289 62.697 63.200 -0.356 0.000 0.786 190 S HN 0.383 nan 8.310 nan 0.000 0.492 191 F N 1.008 120.988 119.950 0.050 0.000 2.693 191 F HA 0.351 4.869 4.527 -0.015 0.000 0.303 191 F C 1.034 176.847 175.800 0.022 0.000 1.097 191 F CA -0.032 57.984 58.000 0.027 0.000 1.330 191 F CB 0.341 39.349 39.000 0.013 0.000 1.067 191 F HN 0.083 nan 8.300 nan 0.000 0.565 192 T N -1.259 113.393 114.554 0.163 0.000 2.912 192 T HA 0.339 4.680 4.350 -0.015 0.000 0.288 192 T C 0.914 175.569 174.700 -0.074 0.000 1.030 192 T CA -0.214 61.937 62.100 0.083 0.000 1.020 192 T CB 1.438 70.405 68.868 0.166 0.000 1.056 192 T HN 0.040 nan 8.240 nan 0.000 0.480 193 S N 2.206 117.766 115.700 -0.234 0.000 2.540 193 S HA 0.231 4.692 4.470 -0.015 0.000 0.218 193 S C 1.292 175.850 174.600 -0.069 0.000 0.977 193 S CA -0.439 57.368 58.200 -0.654 0.000 0.918 193 S CB 0.037 62.701 63.200 -0.893 0.000 0.806 193 S HN 0.593 nan 8.310 nan 0.000 0.496 194 K N 1.213 121.642 120.400 0.049 0.000 2.418 194 K HA 0.286 4.597 4.320 -0.015 0.000 0.195 194 K C -0.125 176.613 176.600 0.230 0.000 1.035 194 K CA 0.311 56.688 56.287 0.149 0.000 1.003 194 K CB 0.295 32.846 32.500 0.085 0.000 0.793 194 K HN 0.329 nan 8.250 nan 0.000 0.494 195 V N 1.912 121.892 119.914 0.111 0.000 2.569 195 V HA 0.311 4.422 4.120 -0.015 0.000 0.301 195 V C -0.708 175.309 176.094 -0.129 0.000 1.044 195 V CA -0.696 61.557 62.300 -0.079 0.000 0.874 195 V CB 2.010 33.461 31.823 -0.619 0.000 1.002 195 V HN 0.095 nan 8.190 nan 0.000 0.424 196 M N 4.994 124.361 119.600 -0.388 0.000 2.238 196 M HA 0.588 5.059 4.480 -0.015 0.000 0.350 196 M C 0.011 176.221 176.300 -0.150 0.000 1.138 196 M CA -0.140 54.886 55.300 -0.456 0.000 1.040 196 M CB 1.572 33.479 32.600 -1.155 0.000 1.639 196 M HN 0.831 nan 8.290 nan 0.000 0.451 197 T N 2.360 116.916 114.554 0.003 0.000 2.794 197 T HA 0.690 5.031 4.350 -0.015 0.000 0.280 197 T C -0.712 174.076 174.700 0.148 0.000 0.987 197 T CA -0.792 61.417 62.100 0.181 0.000 0.993 197 T CB 1.230 70.248 68.868 0.250 0.000 0.939 197 T HN 0.444 nan 8.240 nan 0.000 0.449 198 V N 2.822 122.837 119.914 0.168 0.000 2.483 198 V HA 0.725 4.836 4.120 -0.015 0.000 0.297 198 V C -0.135 176.066 176.094 0.179 0.000 1.027 198 V CA -0.756 61.622 62.300 0.130 0.000 0.855 198 V CB 1.656 33.526 31.823 0.077 0.000 0.995 198 V HN 1.081 nan 8.190 nan 0.000 0.424 199 S N 5.278 121.128 115.700 0.250 0.000 2.594 199 S HA 0.802 5.263 4.470 -0.015 0.000 0.296 199 S C -1.211 173.565 174.600 0.293 0.000 1.124 199 S CA -0.452 57.977 58.200 0.381 0.000 1.011 199 S CB 1.054 64.621 63.200 0.610 0.000 1.016 199 S HN 0.454 nan 8.310 nan 0.000 0.485 200 L N 6.945 128.305 121.223 0.229 0.000 2.309 200 L HA 0.703 5.034 4.340 -0.015 0.000 0.282 200 L C 0.273 177.297 176.870 0.256 0.000 1.036 200 L CA -0.063 54.807 54.840 0.050 0.000 0.806 200 L CB 1.302 43.362 42.059 0.002 0.000 1.220 200 L HN 0.822 nan 8.230 nan 0.000 0.429 201 H N 0.738 120.021 119.070 0.355 0.000 2.987 201 H HA 0.282 4.829 4.556 -0.015 0.000 0.316 201 H C -1.304 174.257 175.328 0.388 0.000 1.380 201 H CA -1.132 55.146 56.048 0.383 0.000 1.160 201 H CB 1.225 31.211 29.762 0.372 0.000 1.865 201 H HN 0.446 nan 8.280 nan 0.000 0.521 202 K N 1.106 121.673 120.400 0.278 0.000 2.401 202 K HA 0.264 4.575 4.320 -0.015 0.000 0.278 202 K C -1.444 175.363 176.600 0.344 0.000 1.018 202 K CA -0.234 56.105 56.287 0.087 0.000 0.981 202 K CB 0.410 32.476 32.500 -0.724 0.000 0.933 202 K HN 0.447 nan 8.250 nan 0.000 0.477 203 F N 3.641 123.672 119.950 0.135 0.000 2.659 203 F HA 0.321 4.839 4.527 -0.015 0.000 0.342 203 F C -1.099 174.750 175.800 0.081 0.000 1.168 203 F CA -0.208 57.897 58.000 0.176 0.000 1.003 203 F CB 1.527 40.622 39.000 0.158 0.000 1.267 203 F HN 0.495 nan 8.300 nan 0.000 0.463 204 S N 5.952 121.460 115.700 -0.321 0.000 2.547 204 S HA 0.605 5.066 4.470 -0.015 0.000 0.270 204 S C -3.022 171.454 174.600 -0.208 0.000 1.150 204 S CA -1.304 56.766 58.200 -0.217 0.000 0.850 204 S CB 1.776 64.917 63.200 -0.099 0.000 1.118 204 S HN 0.327 nan 8.310 nan 0.000 0.461 205 P HA 0.293 nan 4.420 nan 0.000 0.263 205 P C 0.800 178.078 177.300 -0.037 0.000 1.195 205 P CA 1.502 64.533 63.100 -0.115 0.000 0.762 205 P CB 0.311 31.972 31.700 -0.066 0.000 0.799 206 G N 2.278 111.055 108.800 -0.039 0.000 2.199 206 G HA2 -0.273 3.678 3.960 -0.015 0.000 0.254 206 G HA3 -0.273 3.678 3.960 -0.015 0.000 0.254 206 G C -0.106 174.829 174.900 0.059 0.000 0.982 206 G CA -0.469 44.634 45.100 0.005 0.000 0.632 206 G HN 0.520 nan 8.290 nan 0.000 0.529 207 F N 1.709 121.617 119.950 -0.070 0.000 2.405 207 F HA 0.711 5.229 4.527 -0.016 0.000 0.355 207 F C 0.440 176.262 175.800 0.038 0.000 1.121 207 F CA -2.104 55.897 58.000 0.002 0.000 1.112 207 F CB 0.453 39.440 39.000 -0.022 0.000 1.126 207 F HN 0.120 nan 8.300 nan 0.000 0.481 208 F N 9.074 128.610 119.950 -0.690 0.000 2.607 208 F HA 0.199 4.716 4.527 -0.016 0.000 0.374 208 F C -1.409 174.258 175.800 -0.222 0.000 1.104 208 F CA -1.228 56.491 58.000 -0.468 0.000 1.296 208 F CB 0.773 39.427 39.000 -0.577 0.000 1.085 208 F HN 0.412 nan 8.300 nan 0.000 0.584 209 P HA 0.197 nan 4.420 nan 0.000 0.261 209 P C 0.668 177.646 177.300 -0.537 0.000 1.268 209 P CA 1.117 63.378 63.100 -1.398 0.000 0.833 209 P CB 0.639 31.515 31.700 -1.373 0.000 1.231 210 G N -0.121 108.532 108.800 -0.244 0.000 2.213 210 G HA2 -0.207 3.744 3.960 -0.015 0.000 0.236 210 G HA3 -0.207 3.744 3.960 -0.015 0.000 0.236 210 G C 0.400 175.313 174.900 0.021 0.000 0.991 210 G CA 0.385 45.401 45.100 -0.141 0.000 0.629 210 G HN 0.565 nan 8.290 nan 0.000 0.517 211 T N -2.063 112.525 114.554 0.057 0.000 2.897 211 T HA 0.674 5.015 4.350 -0.015 0.000 0.278 211 T C 1.297 175.896 174.700 -0.169 0.000 0.981 211 T CA 0.416 62.567 62.100 0.085 0.000 0.973 211 T CB 1.802 70.736 68.868 0.110 0.000 1.092 211 T HN 2.105 nan 8.240 nan 0.000 0.543 212 G N 0.421 108.947 108.800 -0.457 0.000 2.215 212 G HA2 -0.116 3.835 3.960 -0.015 0.000 0.198 212 G HA3 -0.116 3.835 3.960 -0.015 0.000 0.198 212 G C -0.379 174.220 174.900 -0.501 0.000 1.047 212 G CA -0.144 44.495 45.100 -0.769 0.000 0.747 212 G HN 1.007 nan 8.290 nan 0.000 0.495 213 D N -0.629 119.339 120.400 -0.720 0.000 2.344 213 D HA 0.338 4.969 4.640 -0.015 0.000 0.244 213 D C 1.642 177.600 176.300 -0.571 0.000 1.134 213 D CA 0.154 53.509 54.000 -1.075 0.000 0.930 213 D CB 1.625 41.926 40.800 -0.832 0.000 1.175 213 D HN 0.303 nan 8.370 nan 0.000 0.437 214 V N 2.292 121.869 119.914 -0.562 0.000 2.688 214 V HA -0.213 3.898 4.120 -0.015 0.000 0.256 214 V C 1.836 177.652 176.094 -0.462 0.000 1.084 214 V CA 2.801 64.808 62.300 -0.487 0.000 1.103 214 V CB -0.486 30.983 31.823 -0.589 0.000 0.688 214 V HN 0.641 nan 8.190 nan 0.000 0.480 215 S N -1.440 114.005 115.700 -0.426 0.000 2.603 215 S HA 0.068 4.529 4.470 -0.015 0.000 0.220 215 S C 0.466 175.004 174.600 -0.103 0.000 0.967 215 S CA -0.133 57.951 58.200 -0.193 0.000 0.920 215 S CB -0.314 62.818 63.200 -0.113 0.000 0.773 215 S HN 0.636 nan 8.310 nan 0.000 0.529 216 D N 2.622 122.931 120.400 -0.151 0.000 2.336 216 D HA 0.251 4.881 4.640 -0.015 0.000 0.249 216 D C 0.776 177.034 176.300 -0.070 0.000 1.213 216 D CA 0.056 53.992 54.000 -0.106 0.000 0.870 216 D CB 1.717 42.448 40.800 -0.116 0.000 1.076 216 D HN 0.317 nan 8.370 nan 0.000 0.483 217 V N -0.141 119.726 119.914 -0.079 0.000 3.252 217 V HA 0.530 4.641 4.120 -0.015 0.000 0.320 217 V C 0.695 176.726 176.094 -0.105 0.000 1.459 217 V CA 0.338 62.596 62.300 -0.069 0.000 1.095 217 V CB 0.051 31.826 31.823 -0.081 0.000 0.997 217 V HN 0.698 nan 8.190 nan 0.000 0.469 218 G N 0.736 109.463 108.800 -0.121 0.000 2.685 218 G HA2 -0.029 3.922 3.960 -0.015 0.000 0.387 218 G HA3 -0.029 3.922 3.960 -0.015 0.000 0.387 218 G C -1.185 173.561 174.900 -0.256 0.000 1.324 218 G CA -0.228 44.770 45.100 -0.170 0.000 0.878 218 G HN 0.723 nan 8.290 nan 0.000 0.527 219 L N -0.015 120.995 121.223 -0.356 0.000 2.415 219 L HA 0.733 5.064 4.340 -0.015 0.000 0.256 219 L C 1.356 178.134 176.870 -0.155 0.000 1.010 219 L CA -0.045 54.594 54.840 -0.334 0.000 0.826 219 L CB 1.584 43.317 42.059 -0.544 0.000 1.405 219 L HN 2.565 nan 8.230 nan 0.000 0.410 220 G N 0.949 109.771 108.800 0.036 0.000 2.611 220 G HA2 -0.369 3.582 3.960 -0.015 0.000 0.301 220 G HA3 -0.369 3.582 3.960 -0.015 0.000 0.301 220 G C 0.581 175.538 174.900 0.095 0.000 1.233 220 G CA 0.786 45.981 45.100 0.160 0.000 0.993 220 G HN 0.708 nan 8.290 nan 0.000 0.553 221 K N 1.287 121.760 120.400 0.123 0.000 2.442 221 K HA 0.137 4.448 4.320 -0.015 0.000 0.198 221 K C 2.381 178.979 176.600 -0.004 0.000 1.044 221 K CA 1.125 57.447 56.287 0.058 0.000 0.948 221 K CB -0.320 32.207 32.500 0.044 0.000 0.762 221 K HN 0.604 nan 8.250 nan 0.000 0.472 222 G N 0.519 109.329 108.800 0.018 0.000 3.042 222 G HA2 -0.075 3.876 3.960 -0.015 0.000 0.212 222 G HA3 -0.075 3.876 3.960 -0.015 0.000 0.212 222 G C 0.093 175.042 174.900 0.081 0.000 1.166 222 G CA -0.468 44.632 45.100 -0.000 0.000 0.767 222 G HN 0.132 nan 8.290 nan 0.000 0.546 223 R N -0.210 120.291 120.500 0.002 0.000 2.502 223 R HA 0.100 4.431 4.340 -0.015 0.000 0.292 223 R C 0.030 176.300 176.300 -0.050 0.000 0.998 223 R CA 0.292 56.276 56.100 -0.193 0.000 1.056 223 R CB -0.261 29.815 30.300 -0.373 0.000 0.939 223 R HN 0.476 nan 8.270 nan 0.000 0.411 224 Y N 0.852 121.196 120.300 0.072 0.000 4.936 224 Y HA -0.342 4.199 4.550 -0.015 0.000 0.260 224 Y C -0.047 175.785 175.900 -0.114 0.000 0.928 224 Y CA 0.718 58.804 58.100 -0.023 0.000 1.869 224 Y CB -1.753 36.664 38.460 -0.071 0.000 1.344 224 Y HN 0.667 nan 8.280 nan 0.000 0.521 225 Y N 0.230 120.564 120.300 0.055 0.000 2.532 225 Y HA 0.468 5.008 4.550 -0.016 0.000 0.283 225 Y C 0.496 176.361 175.900 -0.059 0.000 1.181 225 Y CA 0.091 58.178 58.100 -0.023 0.000 1.256 225 Y CB 0.847 39.299 38.460 -0.013 0.000 1.112 225 Y HN -0.072 nan 8.280 nan 0.000 0.521 226 S N 0.129 115.871 115.700 0.070 0.000 2.532 226 S HA 0.665 5.126 4.470 -0.015 0.000 0.299 226 S C -0.768 173.856 174.600 0.041 0.000 1.105 226 S CA -0.698 57.534 58.200 0.053 0.000 1.018 226 S CB 2.005 65.236 63.200 0.050 0.000 1.021 226 S HN -0.144 nan 8.310 nan 0.000 0.483 227 V N 4.104 124.050 119.914 0.052 0.000 2.540 227 V HA 0.553 4.664 4.120 -0.015 0.000 0.302 227 V C -0.599 175.537 176.094 0.070 0.000 1.035 227 V CA -0.835 61.489 62.300 0.040 0.000 0.873 227 V CB 1.863 33.697 31.823 0.019 0.000 0.992 227 V HN 0.797 nan 8.190 nan 0.000 0.428 228 N N 2.676 121.386 118.700 0.017 0.000 2.346 228 N HA 0.532 5.263 4.740 -0.015 0.000 0.289 228 N C -1.241 174.192 175.510 -0.127 0.000 1.027 228 N CA -0.326 52.738 53.050 0.023 0.000 0.864 228 N CB 2.657 41.141 38.487 -0.004 0.000 1.370 228 N HN 0.379 nan 8.380 nan 0.000 0.481 229 V N 3.745 123.531 119.914 -0.212 0.000 2.284 229 V HA 0.330 4.441 4.120 -0.015 0.000 0.274 229 V C -2.143 173.682 176.094 -0.449 0.000 1.023 229 V CA -1.579 60.550 62.300 -0.285 0.000 0.808 229 V CB 1.253 32.939 31.823 -0.228 0.000 1.035 229 V HN 0.478 nan 8.190 nan 0.000 0.445 230 P HA 0.480 nan 4.420 nan 0.000 0.281 230 P C -0.713 176.533 177.300 -0.090 0.000 1.252 230 P CA -0.011 62.942 63.100 -0.244 0.000 0.778 230 P CB 1.599 33.136 31.700 -0.271 0.000 0.895 231 I N 2.366 122.965 120.570 0.049 0.000 2.730 231 I HA 0.297 4.458 4.170 -0.015 0.000 0.298 231 I C 0.305 176.525 176.117 0.172 0.000 1.089 231 I CA -1.037 60.299 61.300 0.060 0.000 1.041 231 I CB 2.322 40.329 38.000 0.012 0.000 1.235 231 I HN 0.156 nan 8.210 nan 0.000 0.423 232 Q N 2.333 122.178 119.800 0.075 0.000 2.180 232 Q HA 0.334 4.665 4.340 -0.015 0.000 0.241 232 Q C -1.050 175.028 176.000 0.130 0.000 0.970 232 Q CA -0.863 54.996 55.803 0.093 0.000 0.919 232 Q CB 0.894 29.653 28.738 0.035 0.000 1.222 232 Q HN 0.393 nan 8.270 nan 0.000 0.482 233 D N 0.119 120.587 120.400 0.112 0.000 2.515 233 D HA 0.158 4.789 4.640 -0.015 0.000 0.232 233 D C 0.973 177.324 176.300 0.086 0.000 1.157 233 D CA 1.833 55.916 54.000 0.139 0.000 0.871 233 D CB 0.278 41.109 40.800 0.051 0.000 1.200 233 D HN 0.751 nan 8.370 nan 0.000 0.466 234 G N 1.472 110.341 108.800 0.115 0.000 2.148 234 G HA2 -0.314 3.637 3.960 -0.015 0.000 0.254 234 G HA3 -0.314 3.637 3.960 -0.015 0.000 0.254 234 G C 0.526 175.396 174.900 -0.050 0.000 0.981 234 G CA 0.060 45.179 45.100 0.031 0.000 0.670 234 G HN 0.562 nan 8.290 nan 0.000 0.528 235 I N 0.980 121.445 120.570 -0.176 0.000 2.775 235 I HA 0.323 4.484 4.170 -0.015 0.000 0.290 235 I C 0.696 176.723 176.117 -0.149 0.000 1.203 235 I CA 0.788 61.942 61.300 -0.243 0.000 1.433 235 I CB 0.470 38.171 38.000 -0.498 0.000 1.354 235 I HN 0.410 nan 8.210 nan 0.000 0.579 236 Q N 4.581 124.337 119.800 -0.074 0.000 2.418 236 Q HA 0.252 4.583 4.340 -0.015 0.000 0.276 236 Q C 0.310 176.306 176.000 -0.007 0.000 1.081 236 Q CA -0.904 54.872 55.803 -0.046 0.000 0.864 236 Q CB 1.106 29.826 28.738 -0.030 0.000 1.384 236 Q HN 0.564 nan 8.270 nan 0.000 0.467 237 D N 1.068 121.458 120.400 -0.016 0.000 2.133 237 D HA -0.241 4.390 4.640 -0.015 0.000 0.192 237 D C 1.461 177.818 176.300 0.095 0.000 1.001 237 D CA 1.671 55.681 54.000 0.017 0.000 0.844 237 D CB 0.181 40.968 40.800 -0.021 0.000 0.944 237 D HN 0.614 nan 8.370 nan 0.000 0.447 238 E N 0.637 120.873 120.200 0.061 0.000 2.017 238 E HA -0.193 4.148 4.350 -0.015 0.000 0.193 238 E C 2.037 178.695 176.600 0.096 0.000 0.997 238 E CA 1.056 57.504 56.400 0.080 0.000 0.804 238 E CB 0.064 29.788 29.700 0.040 0.000 0.757 238 E HN 0.073 nan 8.360 nan 0.000 0.448 239 K N -0.617 119.814 120.400 0.052 0.000 2.097 239 K HA -0.208 4.103 4.320 -0.015 0.000 0.206 239 K C 2.168 178.775 176.600 0.012 0.000 1.049 239 K CA 1.279 57.574 56.287 0.013 0.000 0.933 239 K CB -0.283 32.205 32.500 -0.020 0.000 0.717 239 K HN 0.196 nan 8.250 nan 0.000 0.442 240 Y N 0.219 120.480 120.300 -0.065 0.000 2.114 240 Y HA -0.322 4.218 4.550 -0.017 0.000 0.284 240 Y C 2.126 178.014 175.900 -0.019 0.000 1.143 240 Y CA 2.144 60.202 58.100 -0.070 0.000 1.135 240 Y CB -0.530 37.891 38.460 -0.066 0.000 0.980 240 Y HN 0.189 nan 8.280 nan 0.000 0.499 241 Y N 0.700 121.093 120.300 0.156 0.000 2.224 241 Y HA -0.305 4.235 4.550 -0.017 0.000 0.289 241 Y C 2.463 178.320 175.900 -0.072 0.000 1.146 241 Y CA 1.994 60.126 58.100 0.054 0.000 1.182 241 Y CB -0.319 38.168 38.460 0.046 0.000 0.983 241 Y HN 0.243 nan 8.280 nan 0.000 0.524 242 Q N 0.170 119.890 119.800 -0.134 0.000 2.096 242 Q HA -0.223 4.108 4.340 -0.015 0.000 0.204 242 Q C 2.239 178.058 176.000 -0.301 0.000 0.982 242 Q CA 2.311 57.980 55.803 -0.222 0.000 0.850 242 Q CB -0.215 28.471 28.738 -0.087 0.000 0.901 242 Q HN 0.590 nan 8.270 nan 0.000 0.422 243 I N -0.337 120.065 120.570 -0.280 0.000 2.142 243 I HA -0.340 3.821 4.170 -0.015 0.000 0.240 243 I C 2.666 178.572 176.117 -0.352 0.000 1.078 243 I CA 0.755 61.872 61.300 -0.305 0.000 1.343 243 I CB -0.412 37.373 38.000 -0.358 0.000 1.046 243 I HN 0.372 nan 8.210 nan 0.000 0.405 244 C N 0.885 119.929 119.300 -0.428 0.000 2.429 244 C HA -0.195 4.256 4.460 -0.015 0.000 0.277 244 C C 2.862 177.590 174.990 -0.436 0.000 1.262 244 C CA 1.540 60.335 59.018 -0.371 0.000 1.733 244 C CB -0.967 26.617 27.740 -0.260 0.000 2.010 244 C HN 0.518 nan 8.230 nan 0.000 0.483 245 E N -0.207 119.560 120.200 -0.722 0.000 2.051 245 E HA -0.195 4.146 4.350 -0.015 0.000 0.192 245 E C 2.288 178.582 176.600 -0.510 0.000 0.991 245 E CA 1.398 57.259 56.400 -0.898 0.000 0.799 245 E CB -0.272 28.743 29.700 -1.141 0.000 0.748 245 E HN 0.674 nan 8.360 nan 0.000 0.449 246 S N -0.361 115.124 115.700 -0.358 0.000 2.370 246 S HA -0.135 4.326 4.470 -0.015 0.000 0.226 246 S C 2.038 176.564 174.600 -0.123 0.000 1.033 246 S CA 1.458 59.539 58.200 -0.197 0.000 1.011 246 S CB -0.207 62.891 63.200 -0.171 0.000 0.852 246 S HN 0.198 nan 8.310 nan 0.000 0.457 247 V N 1.874 121.707 119.914 -0.135 0.000 2.323 247 V HA -0.046 4.065 4.120 -0.015 0.000 0.244 247 V C 2.468 178.580 176.094 0.029 0.000 1.041 247 V CA 1.665 63.930 62.300 -0.057 0.000 1.025 247 V CB -0.655 31.124 31.823 -0.074 0.000 0.656 247 V HN 0.478 nan 8.190 nan 0.000 0.451 248 L N -0.076 121.175 121.223 0.046 0.000 2.093 248 L HA -0.179 4.152 4.340 -0.015 0.000 0.208 248 L C 2.560 179.709 176.870 0.464 0.000 1.085 248 L CA 1.737 56.756 54.840 0.299 0.000 0.755 248 L CB -0.608 41.658 42.059 0.344 0.000 0.904 248 L HN 0.346 nan 8.230 nan 0.000 0.435 249 K N 0.249 120.834 120.400 0.308 0.000 2.032 249 K HA -0.202 4.109 4.320 -0.015 0.000 0.209 249 K C 2.028 178.775 176.600 0.244 0.000 1.048 249 K CA 1.416 57.921 56.287 0.364 0.000 0.927 249 K CB 0.108 32.732 32.500 0.207 0.000 0.712 249 K HN 0.185 nan 8.250 nan 0.000 0.441 250 E N 0.481 120.761 120.200 0.134 0.000 2.077 250 E HA -0.157 4.184 4.350 -0.015 0.000 0.193 250 E C 2.199 178.845 176.600 0.076 0.000 0.989 250 E CA 1.110 57.557 56.400 0.078 0.000 0.800 250 E CB -0.423 29.295 29.700 0.030 0.000 0.746 250 E HN 0.173 nan 8.360 nan 0.000 0.452 251 V N 0.985 120.962 119.914 0.105 0.000 2.295 251 V HA -0.271 3.840 4.120 -0.015 0.000 0.246 251 V C 2.259 178.400 176.094 0.078 0.000 1.049 251 V CA 1.881 64.234 62.300 0.088 0.000 1.024 251 V CB -0.652 31.241 31.823 0.117 0.000 0.648 251 V HN 0.221 nan 8.190 nan 0.000 0.447 252 Y N 0.817 121.085 120.300 -0.053 0.000 2.181 252 Y HA -0.279 4.265 4.550 -0.010 0.000 0.288 252 Y C 2.641 178.438 175.900 -0.171 0.000 1.146 252 Y CA 2.077 60.001 58.100 -0.292 0.000 1.164 252 Y CB -0.251 37.902 38.460 -0.512 0.000 0.982 252 Y HN 0.304 nan 8.280 nan 0.000 0.515 253 Q N -0.516 119.249 119.800 -0.058 0.000 2.079 253 Q HA -0.153 4.178 4.340 -0.015 0.000 0.200 253 Q C 2.496 178.417 176.000 -0.133 0.000 0.974 253 Q CA 1.549 57.291 55.803 -0.102 0.000 0.840 253 Q CB -0.329 28.418 28.738 0.015 0.000 0.898 253 Q HN 0.593 nan 8.270 nan 0.000 0.430 254 A N -0.097 122.681 122.820 -0.068 0.000 1.872 254 A HA -0.130 4.181 4.320 -0.015 0.000 0.214 254 A C 1.736 179.307 177.584 -0.021 0.000 1.187 254 A CA 1.001 53.011 52.037 -0.046 0.000 0.614 254 A CB -0.475 18.506 19.000 -0.032 0.000 0.826 254 A HN 0.444 nan 8.150 nan 0.000 0.442 255 F N 0.159 119.997 119.950 -0.187 0.000 2.530 255 F HA 0.192 4.709 4.527 -0.016 0.000 0.292 255 F C 0.779 176.460 175.800 -0.198 0.000 1.109 255 F CA 0.539 58.452 58.000 -0.145 0.000 1.450 255 F CB -0.102 38.833 39.000 -0.108 0.000 1.114 255 F HN 0.430 nan 8.300 nan 0.000 0.560 256 N N 1.727 120.157 118.700 -0.449 0.000 2.667 256 N HA -0.141 4.590 4.740 -0.015 0.000 0.263 256 N C -2.591 172.563 175.510 -0.593 0.000 1.038 256 N CA 0.091 52.763 53.050 -0.629 0.000 0.749 256 N CB -0.572 37.634 38.487 -0.469 0.000 0.892 256 N HN 0.114 nan 8.380 nan 0.000 0.546 257 P HA 0.078 nan 4.420 nan 0.000 0.271 257 P C 0.192 177.393 177.300 -0.165 0.000 1.218 257 P CA -0.190 62.767 63.100 -0.239 0.000 0.780 257 P CB 0.841 32.598 31.700 0.096 0.000 0.901 258 K N 0.470 120.808 120.400 -0.103 0.000 2.323 258 K HA 0.353 4.664 4.320 -0.015 0.000 0.197 258 K C 0.844 177.316 176.600 -0.213 0.000 1.043 258 K CA 0.344 56.608 56.287 -0.038 0.000 0.997 258 K CB 0.112 32.683 32.500 0.118 0.000 0.807 258 K HN 0.614 nan 8.250 nan 0.000 0.497 259 A N 0.052 122.724 122.820 -0.247 0.000 2.609 259 A HA 0.665 4.976 4.320 -0.015 0.000 0.291 259 A C -1.347 176.178 177.584 -0.098 0.000 1.096 259 A CA -0.632 51.159 52.037 -0.409 0.000 0.684 259 A CB 1.679 20.176 19.000 -0.837 0.000 1.282 259 A HN -0.149 nan 8.150 nan 0.000 0.412 260 V N 0.520 120.404 119.914 -0.049 0.000 2.656 260 V HA 0.590 4.701 4.120 -0.015 0.000 0.307 260 V C -0.743 175.370 176.094 0.031 0.000 1.051 260 V CA -0.603 61.742 62.300 0.074 0.000 0.893 260 V CB 1.722 33.650 31.823 0.175 0.000 0.999 260 V HN 0.723 nan 8.190 nan 0.000 0.426 261 V N 5.600 125.556 119.914 0.070 0.000 2.378 261 V HA 0.494 4.605 4.120 -0.015 0.000 0.288 261 V C -0.638 175.447 176.094 -0.015 0.000 1.016 261 V CA -0.507 61.838 62.300 0.075 0.000 0.840 261 V CB 1.601 33.559 31.823 0.225 0.000 0.994 261 V HN 0.640 nan 8.190 nan 0.000 0.431 262 L N 4.906 126.097 121.223 -0.054 0.000 2.305 262 L HA 0.567 4.898 4.340 -0.015 0.000 0.284 262 L C -0.347 176.471 176.870 -0.086 0.000 1.013 262 L CA 0.135 54.913 54.840 -0.102 0.000 0.819 262 L CB 1.603 43.629 42.059 -0.055 0.000 1.227 262 L HN 0.639 nan 8.230 nan 0.000 0.417 263 Q N 5.475 125.207 119.800 -0.112 0.000 2.325 263 Q HA 0.395 4.726 4.340 -0.015 0.000 0.262 263 Q C -1.257 174.786 176.000 0.071 0.000 0.968 263 Q CA -0.300 55.499 55.803 -0.006 0.000 0.877 263 Q CB 1.384 30.146 28.738 0.041 0.000 1.253 263 Q HN 0.825 nan 8.270 nan 0.000 0.448 264 L N 3.420 124.723 121.223 0.133 0.000 3.096 264 L HA 0.375 4.706 4.340 -0.015 0.000 0.272 264 L C 0.842 177.962 176.870 0.416 0.000 1.311 264 L CA -0.690 54.306 54.840 0.260 0.000 0.943 264 L CB 1.009 43.255 42.059 0.311 0.000 1.348 264 L HN 0.612 nan 8.230 nan 0.000 0.562 265 G N 0.163 109.170 108.800 0.345 0.000 2.305 265 G HA2 0.227 4.178 3.960 -0.015 0.000 0.243 265 G HA3 0.227 4.178 3.960 -0.015 0.000 0.243 265 G C 0.804 175.925 174.900 0.368 0.000 1.288 265 G CA 0.273 45.625 45.100 0.421 0.000 0.901 265 G HN 0.510 nan 8.290 nan 0.000 0.516 266 A N 1.955 124.942 122.820 0.279 0.000 2.370 266 A HA 0.216 4.527 4.320 -0.015 0.000 0.238 266 A C 1.491 179.065 177.584 -0.017 0.000 1.289 266 A CA 0.655 52.704 52.037 0.020 0.000 0.885 266 A CB 0.032 18.784 19.000 -0.413 0.000 0.961 266 A HN 0.640 nan 8.150 nan 0.000 0.499 267 D N -0.730 119.726 120.400 0.093 0.000 2.349 267 D HA -0.100 4.531 4.640 -0.015 0.000 0.224 267 D C 1.305 177.673 176.300 0.113 0.000 1.029 267 D CA 1.173 55.267 54.000 0.157 0.000 0.879 267 D CB -0.962 40.070 40.800 0.387 0.000 0.906 267 D HN 0.354 nan 8.370 nan 0.000 0.528 268 T N -2.137 112.477 114.554 0.100 0.000 3.088 268 T HA 0.081 4.422 4.350 -0.015 0.000 0.259 268 T C 1.007 175.768 174.700 0.101 0.000 1.122 268 T CA -0.261 61.915 62.100 0.127 0.000 1.095 268 T CB -0.074 68.911 68.868 0.194 0.000 0.930 268 T HN -0.025 nan 8.240 nan 0.000 0.508 269 I N 2.777 123.367 120.570 0.033 0.000 2.496 269 I HA 0.432 4.593 4.170 -0.015 0.000 0.285 269 I C 1.128 177.240 176.117 -0.008 0.000 1.080 269 I CA -1.459 59.831 61.300 -0.017 0.000 1.404 269 I CB -0.170 37.785 38.000 -0.074 0.000 1.403 269 I HN 0.287 nan 8.210 nan 0.000 0.539 270 A N 4.733 127.545 122.820 -0.015 0.000 2.587 270 A HA 0.366 4.677 4.320 -0.015 0.000 0.235 270 A C 1.332 178.901 177.584 -0.026 0.000 1.044 270 A CA 0.813 52.843 52.037 -0.010 0.000 0.754 270 A CB -0.377 18.609 19.000 -0.025 0.000 0.968 270 A HN 1.427 nan 8.150 nan 0.000 0.509 271 G N 1.056 109.848 108.800 -0.014 0.000 2.213 271 G HA2 -0.204 3.747 3.960 -0.015 0.000 0.236 271 G HA3 -0.204 3.747 3.960 -0.015 0.000 0.236 271 G C 0.150 175.044 174.900 -0.010 0.000 0.991 271 G CA 0.346 45.430 45.100 -0.026 0.000 0.629 271 G HN 1.050 nan 8.290 nan 0.000 0.517 272 D N 1.406 121.814 120.400 0.014 0.000 2.382 272 D HA 0.293 4.924 4.640 -0.015 0.000 0.245 272 D C -0.675 175.673 176.300 0.080 0.000 1.120 272 D CA -0.958 53.076 54.000 0.057 0.000 0.890 272 D CB 1.599 42.456 40.800 0.095 0.000 1.201 272 D HN 0.112 nan 8.370 nan 0.000 0.433 273 P HA -0.066 nan 4.420 nan 0.000 0.230 273 P C 1.485 178.840 177.300 0.092 0.000 1.158 273 P CA 0.442 63.589 63.100 0.078 0.000 0.769 273 P CB 0.173 31.913 31.700 0.066 0.000 0.807 274 M N -1.269 118.417 119.600 0.144 0.000 2.358 274 M HA -0.068 4.403 4.480 -0.015 0.000 0.264 274 M C 0.883 177.256 176.300 0.122 0.000 1.064 274 M CA 0.543 55.943 55.300 0.168 0.000 1.093 274 M CB -1.797 30.950 32.600 0.245 0.000 1.401 274 M HN -0.013 nan 8.290 nan 0.000 0.440 275 C N 0.998 120.350 119.300 0.087 0.000 4.235 275 C HA -0.172 4.279 4.460 -0.015 0.000 0.301 275 C C 1.793 176.812 174.990 0.048 0.000 1.409 275 C CA 0.586 59.641 59.018 0.060 0.000 2.024 275 C CB -2.738 25.035 27.740 0.054 0.000 1.286 275 C HN 0.619 nan 8.230 nan 0.000 0.746 276 S N -1.942 113.779 115.700 0.035 0.000 3.200 276 S HA 0.395 4.856 4.470 -0.015 0.000 0.209 276 S C 0.470 175.185 174.600 0.191 0.000 0.869 276 S CA 0.120 58.315 58.200 -0.009 0.000 0.820 276 S CB 0.029 63.078 63.200 -0.251 0.000 0.834 276 S HN 0.558 nan 8.310 nan 0.000 0.622 277 F N 1.968 121.901 119.950 -0.027 0.000 2.362 277 F HA 0.410 4.927 4.527 -0.016 0.000 0.311 277 F C 0.893 176.679 175.800 -0.024 0.000 1.161 277 F CA -0.673 57.315 58.000 -0.020 0.000 1.085 277 F CB 0.503 39.497 39.000 -0.010 0.000 1.311 277 F HN 0.155 nan 8.300 nan 0.000 0.524 278 N N 1.506 120.286 118.700 0.133 0.000 2.622 278 N HA 0.150 4.881 4.740 -0.015 0.000 0.304 278 N C -1.011 174.491 175.510 -0.012 0.000 1.844 278 N CA -0.123 52.952 53.050 0.040 0.000 0.886 278 N CB 0.144 38.642 38.487 0.018 0.000 1.366 278 N HN 0.333 nan 8.380 nan 0.000 0.491 279 M N 0.141 119.730 119.600 -0.018 0.000 2.368 279 M HA 0.382 4.853 4.480 -0.015 0.000 0.311 279 M C 0.852 177.100 176.300 -0.086 0.000 1.168 279 M CA -0.269 54.978 55.300 -0.088 0.000 1.044 279 M CB 0.993 33.501 32.600 -0.153 0.000 1.506 279 M HN 0.303 nan 8.290 nan 0.000 0.475 280 T N -2.435 112.051 114.554 -0.113 0.000 2.926 280 T HA 0.544 4.885 4.350 -0.015 0.000 0.289 280 T C -2.430 172.176 174.700 -0.158 0.000 1.054 280 T CA -1.722 60.296 62.100 -0.137 0.000 1.015 280 T CB 1.905 70.682 68.868 -0.152 0.000 1.167 280 T HN 0.268 nan 8.240 nan 0.000 0.526 281 P HA -0.022 nan 4.420 nan 0.000 0.220 281 P C 1.712 178.879 177.300 -0.222 0.000 1.148 281 P CA 0.412 63.395 63.100 -0.195 0.000 0.803 281 P CB -0.138 31.375 31.700 -0.312 0.000 0.782 282 V N 0.091 119.776 119.914 -0.382 0.000 2.255 282 V HA -0.219 3.892 4.120 -0.015 0.000 0.247 282 V C 2.620 178.690 176.094 -0.040 0.000 1.051 282 V CA 2.577 64.757 62.300 -0.199 0.000 1.018 282 V CB -1.940 29.758 31.823 -0.208 0.000 0.641 282 V HN 0.169 nan 8.190 nan 0.000 0.445 283 G N 0.378 109.138 108.800 -0.068 0.000 2.446 283 G HA2 -0.230 3.721 3.960 -0.015 0.000 0.217 283 G HA3 -0.230 3.721 3.960 -0.015 0.000 0.217 283 G C 1.481 176.407 174.900 0.042 0.000 1.168 283 G CA 1.101 46.189 45.100 -0.021 0.000 0.771 283 G HN 0.373 nan 8.290 nan 0.000 0.551 284 I N 1.922 122.500 120.570 0.014 0.000 2.208 284 I HA -0.132 4.029 4.170 -0.015 0.000 0.245 284 I C 3.047 179.260 176.117 0.159 0.000 1.097 284 I CA 1.518 62.874 61.300 0.094 0.000 1.363 284 I CB -1.619 36.434 38.000 0.089 0.000 1.051 284 I HN 0.251 nan 8.210 nan 0.000 0.413 285 G N 0.534 109.448 108.800 0.191 0.000 2.448 285 G HA2 -0.217 3.734 3.960 -0.015 0.000 0.219 285 G HA3 -0.217 3.734 3.960 -0.015 0.000 0.219 285 G C 1.821 176.778 174.900 0.094 0.000 1.127 285 G CA 0.252 45.473 45.100 0.202 0.000 0.766 285 G HN 0.295 nan 8.290 nan 0.000 0.552 286 K N -0.105 120.313 120.400 0.031 0.000 2.097 286 K HA -0.053 4.258 4.320 -0.015 0.000 0.205 286 K C 2.611 179.272 176.600 0.101 0.000 1.050 286 K CA 0.957 57.171 56.287 -0.123 0.000 0.938 286 K CB -0.438 31.751 32.500 -0.518 0.000 0.718 286 K HN 0.359 nan 8.250 nan 0.000 0.442 287 C N 0.824 120.282 119.300 0.263 0.000 2.413 287 C HA -0.134 4.317 4.460 -0.015 0.000 0.276 287 C C 2.653 177.740 174.990 0.163 0.000 1.248 287 C CA 0.388 59.596 59.018 0.317 0.000 1.742 287 C CB -0.891 27.036 27.740 0.312 0.000 2.017 287 C HN 0.451 nan 8.230 nan 0.000 0.481 288 L N 1.446 122.737 121.223 0.113 0.000 2.093 288 L HA -0.075 4.256 4.340 -0.015 0.000 0.208 288 L C 2.345 179.194 176.870 -0.034 0.000 1.085 288 L CA 1.871 56.733 54.840 0.038 0.000 0.755 288 L CB -0.724 41.376 42.059 0.068 0.000 0.904 288 L HN 0.251 nan 8.230 nan 0.000 0.435 289 K N -1.459 118.934 120.400 -0.011 0.000 2.057 289 K HA -0.229 4.082 4.320 -0.015 0.000 0.207 289 K C 2.138 178.661 176.600 -0.128 0.000 1.049 289 K CA 1.863 58.113 56.287 -0.062 0.000 0.931 289 K CB -0.556 31.921 32.500 -0.039 0.000 0.714 289 K HN 0.325 nan 8.250 nan 0.000 0.440 290 Y N 1.624 121.825 120.300 -0.164 0.000 2.151 290 Y HA -0.258 4.289 4.550 -0.004 0.000 0.284 290 Y C 1.871 177.335 175.900 -0.728 0.000 1.166 290 Y CA 1.549 59.478 58.100 -0.286 0.000 1.163 290 Y CB -0.103 38.288 38.460 -0.114 0.000 0.974 290 Y HN -0.019 nan 8.280 nan 0.000 0.511 291 I N -0.779 119.403 120.570 -0.646 0.000 2.353 291 I HA -0.296 3.865 4.170 -0.015 0.000 0.248 291 I C 2.167 177.868 176.117 -0.693 0.000 1.119 291 I CA 0.936 61.590 61.300 -1.076 0.000 1.417 291 I CB -0.309 37.371 38.000 -0.533 0.000 1.078 291 I HN 0.209 nan 8.210 nan 0.000 0.421 292 L N 0.473 121.467 121.223 -0.382 0.000 2.131 292 L HA -0.220 4.111 4.340 -0.015 0.000 0.210 292 L C 2.524 179.264 176.870 -0.216 0.000 1.092 292 L CA 1.148 55.857 54.840 -0.218 0.000 0.759 292 L CB -0.588 41.384 42.059 -0.145 0.000 0.903 292 L HN 0.392 nan 8.230 nan 0.000 0.435 293 Q N -1.314 118.286 119.800 -0.332 0.000 2.437 293 Q HA -0.176 4.155 4.340 -0.015 0.000 0.210 293 Q C 1.527 177.428 176.000 -0.164 0.000 0.972 293 Q CA 0.978 56.627 55.803 -0.256 0.000 0.903 293 Q CB -0.463 28.100 28.738 -0.291 0.000 0.967 293 Q HN 0.391 nan 8.270 nan 0.000 0.486 294 W N 1.348 122.480 121.300 -0.280 0.000 2.595 294 W HA 0.082 4.730 4.660 -0.020 0.000 0.257 294 W C 0.193 176.639 176.519 -0.121 0.000 1.267 294 W CA 0.669 57.845 57.345 -0.281 0.000 1.300 294 W CB -0.526 28.755 29.460 -0.299 0.000 1.120 294 W HN 0.391 nan 8.180 nan 0.000 0.618 295 Q N -0.497 119.359 119.800 0.094 0.000 2.457 295 Q HA -0.223 4.108 4.340 -0.015 0.000 0.283 295 Q C -0.186 175.862 176.000 0.080 0.000 1.234 295 Q CA 0.398 56.236 55.803 0.059 0.000 0.877 295 Q CB -2.248 26.513 28.738 0.038 0.000 1.250 295 Q HN 0.245 nan 8.270 nan 0.000 0.481 296 L N -0.447 120.842 121.223 0.109 0.000 2.387 296 L HA 0.646 4.977 4.340 -0.015 0.000 0.266 296 L C 0.871 177.723 176.870 -0.031 0.000 1.059 296 L CA -0.565 54.303 54.840 0.046 0.000 0.801 296 L CB 0.660 42.761 42.059 0.071 0.000 1.223 296 L HN 0.193 nan 8.230 nan 0.000 0.456 297 A N 1.084 123.822 122.820 -0.137 0.000 2.583 297 A HA 0.248 4.559 4.320 -0.015 0.000 0.249 297 A C 0.020 177.504 177.584 -0.166 0.000 1.035 297 A CA 0.495 52.413 52.037 -0.198 0.000 0.777 297 A CB -0.642 18.053 19.000 -0.508 0.000 0.942 297 A HN 0.655 nan 8.150 nan 0.000 0.516 298 T N 3.896 118.396 114.554 -0.091 0.000 2.881 298 T HA 0.434 4.775 4.350 -0.015 0.000 0.291 298 T C -0.738 173.916 174.700 -0.078 0.000 0.990 298 T CA -0.364 61.696 62.100 -0.067 0.000 0.976 298 T CB 1.044 69.884 68.868 -0.046 0.000 0.970 298 T HN 0.660 nan 8.240 nan 0.000 0.438 299 L N 5.663 126.844 121.223 -0.070 0.000 2.255 299 L HA 0.550 4.881 4.340 -0.015 0.000 0.289 299 L C -0.832 175.967 176.870 -0.118 0.000 1.046 299 L CA -0.664 54.126 54.840 -0.083 0.000 0.816 299 L CB -0.051 41.983 42.059 -0.041 0.000 1.197 299 L HN 0.528 nan 8.230 nan 0.000 0.427 300 I N 6.763 127.205 120.570 -0.213 0.000 2.331 300 I HA 0.344 4.505 4.170 -0.015 0.000 0.292 300 I C -0.167 175.702 176.117 -0.414 0.000 0.998 300 I CA -0.323 60.781 61.300 -0.326 0.000 1.267 300 I CB 1.210 38.919 38.000 -0.485 0.000 1.386 300 I HN 0.587 nan 8.210 nan 0.000 0.476 301 L N 4.612 125.656 121.223 -0.298 0.000 2.354 301 L HA 0.666 4.997 4.340 -0.015 0.000 0.264 301 L C 0.892 177.650 176.870 -0.185 0.000 1.008 301 L CA -0.577 54.127 54.840 -0.227 0.000 0.819 301 L CB 2.073 44.093 42.059 -0.066 0.000 1.339 301 L HN 0.648 nan 8.230 nan 0.000 0.420 302 G N -0.341 108.331 108.800 -0.212 0.000 3.086 302 G HA2 0.697 4.648 3.960 -0.015 0.000 0.159 302 G HA3 0.697 4.648 3.960 -0.015 0.000 0.159 302 G C 0.130 175.060 174.900 0.050 0.000 1.654 302 G CA 0.287 45.135 45.100 -0.419 0.000 1.078 302 G HN 0.991 nan 8.290 nan 0.000 0.558 303 G N -2.086 106.899 108.800 0.308 0.000 2.470 303 G HA2 0.511 4.462 3.960 -0.015 0.000 0.145 303 G HA3 0.511 4.462 3.960 -0.015 0.000 0.145 303 G C 0.420 175.547 174.900 0.377 0.000 1.223 303 G CA 0.239 45.522 45.100 0.306 0.000 1.058 303 G HN 1.404 nan 8.290 nan 0.000 0.469 304 G N -0.854 108.114 108.800 0.280 0.000 2.750 304 G HA2 0.633 4.584 3.960 -0.015 0.000 0.250 304 G HA3 0.633 4.584 3.960 -0.015 0.000 0.250 304 G C 0.711 175.503 174.900 -0.180 0.000 1.230 304 G CA 1.001 46.156 45.100 0.091 0.000 0.883 304 G HN 2.257 nan 8.290 nan 0.000 0.573 305 G N -1.311 107.004 108.800 -0.808 0.000 2.308 305 G HA2 0.147 4.098 3.960 -0.015 0.000 0.182 305 G HA3 0.147 4.098 3.960 -0.015 0.000 0.182 305 G C -0.453 173.960 174.900 -0.813 0.000 1.488 305 G CA -0.401 44.325 45.100 -0.622 0.000 1.144 305 G HN 0.645 nan 8.290 nan 0.000 0.608 306 Y N 0.795 121.076 120.300 -0.033 0.000 2.445 306 Y HA 0.339 4.880 4.550 -0.014 0.000 0.247 306 Y C 1.348 177.203 175.900 -0.074 0.000 1.129 306 Y CA -0.470 57.612 58.100 -0.030 0.000 1.251 306 Y CB 0.937 39.416 38.460 0.032 0.000 1.176 306 Y HN 0.480 nan 8.280 nan 0.000 0.522 307 N N 1.922 120.601 118.700 -0.035 0.000 2.469 307 N HA 0.129 4.860 4.740 -0.015 0.000 0.239 307 N C 0.660 176.054 175.510 -0.193 0.000 1.053 307 N CA 0.204 53.196 53.050 -0.095 0.000 0.937 307 N CB 0.667 39.099 38.487 -0.093 0.000 1.163 307 N HN 0.324 nan 8.380 nan 0.000 0.509 308 L N 2.499 123.604 121.223 -0.196 0.000 2.027 308 L HA -0.106 4.225 4.340 -0.015 0.000 0.206 308 L C 2.288 178.978 176.870 -0.302 0.000 1.074 308 L CA 1.300 55.990 54.840 -0.250 0.000 0.745 308 L CB -0.599 41.334 42.059 -0.210 0.000 0.898 308 L HN 0.520 nan 8.230 nan 0.000 0.433 309 A N 0.397 123.007 122.820 -0.350 0.000 1.902 309 A HA -0.213 4.098 4.320 -0.015 0.000 0.217 309 A C 2.023 179.446 177.584 -0.268 0.000 1.181 309 A CA 1.889 53.640 52.037 -0.477 0.000 0.623 309 A CB -0.593 17.870 19.000 -0.895 0.000 0.818 309 A HN 0.406 nan 8.150 nan 0.000 0.443 310 N N -0.278 118.271 118.700 -0.251 0.000 2.205 310 N HA -0.098 4.633 4.740 -0.015 0.000 0.186 310 N C 1.682 177.019 175.510 -0.288 0.000 1.015 310 N CA 1.867 54.795 53.050 -0.203 0.000 0.862 310 N CB -0.667 37.714 38.487 -0.176 0.000 0.986 310 N HN 0.508 nan 8.380 nan 0.000 0.429 311 T N 0.379 114.685 114.554 -0.412 0.000 2.770 311 T HA 0.020 4.361 4.350 -0.015 0.000 0.263 311 T C 1.931 176.198 174.700 -0.720 0.000 1.039 311 T CA 1.209 62.868 62.100 -0.735 0.000 1.142 311 T CB -0.325 68.020 68.868 -0.870 0.000 0.868 311 T HN 0.311 nan 8.240 nan 0.000 0.435 312 A N 1.898 124.483 122.820 -0.392 0.000 1.908 312 A HA -0.145 4.166 4.320 -0.015 0.000 0.218 312 A C 2.354 179.889 177.584 -0.081 0.000 1.181 312 A CA 1.487 53.419 52.037 -0.174 0.000 0.627 312 A CB -0.516 18.493 19.000 0.016 0.000 0.818 312 A HN 0.403 nan 8.150 nan 0.000 0.445 313 R N -1.205 119.288 120.500 -0.012 0.000 2.083 313 R HA -0.190 4.141 4.340 -0.015 0.000 0.237 313 R C 2.420 178.689 176.300 -0.052 0.000 1.137 313 R CA 1.566 57.677 56.100 0.018 0.000 0.951 313 R CB -1.010 29.309 30.300 0.031 0.000 0.851 313 R HN 0.682 nan 8.270 nan 0.000 0.434 314 C N -0.112 119.092 119.300 -0.160 0.000 2.436 314 C HA -0.116 4.335 4.460 -0.015 0.000 0.277 314 C C 2.286 177.278 174.990 0.004 0.000 1.241 314 C CA 0.462 59.411 59.018 -0.114 0.000 1.721 314 C CB -0.989 26.605 27.740 -0.243 0.000 2.043 314 C HN 0.621 nan 8.230 nan 0.000 0.472 315 W N 0.746 121.823 121.300 -0.371 0.000 2.518 315 W HA 0.099 4.751 4.660 -0.015 0.000 0.273 315 W C 2.574 178.801 176.519 -0.486 0.000 1.247 315 W CA 1.190 58.060 57.345 -0.792 0.000 1.288 315 W CB -1.780 26.779 29.460 -1.502 0.000 1.107 315 W HN 0.333 nan 8.180 nan 0.000 0.586 316 T N 0.128 114.637 114.554 -0.074 0.000 2.674 316 T HA -0.285 4.056 4.350 -0.015 0.000 0.265 316 T C 1.521 176.188 174.700 -0.056 0.000 1.039 316 T CA 1.794 63.861 62.100 -0.055 0.000 1.150 316 T CB -0.904 67.921 68.868 -0.072 0.000 0.864 316 T HN 0.112 nan 8.240 nan 0.000 0.427 317 Y N 1.953 122.173 120.300 -0.133 0.000 2.114 317 Y HA -0.167 4.378 4.550 -0.009 0.000 0.282 317 Y C 2.043 177.928 175.900 -0.025 0.000 1.165 317 Y CA 1.305 59.337 58.100 -0.113 0.000 1.148 317 Y CB -0.584 37.822 38.460 -0.090 0.000 0.972 317 Y HN 0.128 nan 8.280 nan 0.000 0.504 318 L N -0.970 120.304 121.223 0.085 0.000 2.083 318 L HA -0.238 4.093 4.340 -0.015 0.000 0.209 318 L C 2.285 179.230 176.870 0.126 0.000 1.083 318 L CA 1.780 56.691 54.840 0.117 0.000 0.752 318 L CB -0.980 41.289 42.059 0.351 0.000 0.899 318 L HN 0.235 nan 8.230 nan 0.000 0.433 319 T N -0.266 114.409 114.554 0.201 0.000 2.788 319 T HA -0.111 4.230 4.350 -0.015 0.000 0.268 319 T C 1.889 176.573 174.700 -0.028 0.000 1.044 319 T CA 1.228 63.441 62.100 0.188 0.000 1.139 319 T CB -0.471 68.555 68.868 0.263 0.000 0.867 319 T HN 0.568 nan 8.240 nan 0.000 0.454 320 G N 1.171 109.878 108.800 -0.155 0.000 2.446 320 G HA2 -0.193 3.758 3.960 -0.015 0.000 0.217 320 G HA3 -0.193 3.758 3.960 -0.015 0.000 0.217 320 G C 1.694 176.451 174.900 -0.239 0.000 1.168 320 G CA 0.900 45.858 45.100 -0.236 0.000 0.771 320 G HN 0.431 nan 8.290 nan 0.000 0.551 321 V N 1.205 120.929 119.914 -0.315 0.000 2.295 321 V HA -0.155 3.956 4.120 -0.015 0.000 0.246 321 V C 2.784 178.801 176.094 -0.128 0.000 1.049 321 V CA 1.594 63.744 62.300 -0.250 0.000 1.024 321 V CB -0.386 31.290 31.823 -0.245 0.000 0.648 321 V HN 0.406 nan 8.190 nan 0.000 0.447 322 I N -0.540 119.984 120.570 -0.078 0.000 2.423 322 I HA -0.231 3.930 4.170 -0.015 0.000 0.254 322 I C 1.738 177.820 176.117 -0.059 0.000 1.151 322 I CA 1.546 62.815 61.300 -0.052 0.000 1.421 322 I CB -0.108 37.880 38.000 -0.021 0.000 1.079 322 I HN 0.276 nan 8.210 nan 0.000 0.431 323 L N -0.049 121.132 121.223 -0.070 0.000 2.728 323 L HA 0.310 4.641 4.340 -0.015 0.000 0.238 323 L C 1.390 178.219 176.870 -0.069 0.000 1.143 323 L CA -0.022 54.781 54.840 -0.063 0.000 0.937 323 L CB 0.097 42.119 42.059 -0.061 0.000 1.225 323 L HN 0.325 nan 8.230 nan 0.000 0.507 324 G N 1.107 109.857 108.800 -0.083 0.000 2.379 324 G HA2 -0.273 3.678 3.960 -0.015 0.000 0.297 324 G HA3 -0.273 3.678 3.960 -0.015 0.000 0.297 324 G C 0.187 175.040 174.900 -0.078 0.000 1.004 324 G CA 0.414 45.465 45.100 -0.081 0.000 0.921 324 G HN 0.206 nan 8.290 nan 0.000 0.511 325 K N 0.175 120.519 120.400 -0.094 0.000 2.098 325 K HA 0.558 4.869 4.320 -0.015 0.000 0.258 325 K C 0.321 176.860 176.600 -0.101 0.000 0.973 325 K CA -0.390 55.848 56.287 -0.081 0.000 0.898 325 K CB 1.156 33.612 32.500 -0.074 0.000 1.057 325 K HN 0.076 nan 8.250 nan 0.000 0.447 326 T N 2.551 117.067 114.554 -0.062 0.000 2.799 326 T HA 0.448 4.789 4.350 -0.015 0.000 0.286 326 T C 0.346 175.027 174.700 -0.032 0.000 0.973 326 T CA -0.617 61.455 62.100 -0.046 0.000 1.035 326 T CB 0.523 69.385 68.868 -0.011 0.000 0.932 326 T HN 0.214 nan 8.240 nan 0.000 0.469 327 L N 1.954 123.148 121.223 -0.048 0.000 2.344 327 L HA 0.529 4.860 4.340 -0.015 0.000 0.272 327 L C 0.903 177.823 176.870 0.083 0.000 1.035 327 L CA -0.999 53.812 54.840 -0.047 0.000 0.807 327 L CB 1.614 43.450 42.059 -0.371 0.000 1.237 327 L HN 0.572 nan 8.230 nan 0.000 0.442 328 S N 0.519 116.368 115.700 0.249 0.000 2.562 328 S HA -0.019 4.442 4.470 -0.015 0.000 0.281 328 S C 1.290 176.037 174.600 0.245 0.000 1.333 328 S CA -0.062 58.274 58.200 0.227 0.000 1.052 328 S CB 1.131 64.446 63.200 0.192 0.000 0.884 328 S HN 0.688 nan 8.310 nan 0.000 0.506 329 S N 2.890 118.679 115.700 0.148 0.000 2.374 329 S HA -0.126 4.335 4.470 -0.015 0.000 0.227 329 S C 0.333 175.024 174.600 0.152 0.000 1.037 329 S CA 1.299 59.576 58.200 0.128 0.000 1.024 329 S CB -0.613 62.637 63.200 0.085 0.000 0.861 329 S HN 0.884 nan 8.310 nan 0.000 0.456 330 E N 1.669 121.951 120.200 0.137 0.000 2.290 330 E HA 0.161 4.502 4.350 -0.015 0.000 0.277 330 E C -0.409 176.263 176.600 0.120 0.000 1.035 330 E CA -0.353 56.127 56.400 0.133 0.000 0.873 330 E CB 0.417 30.176 29.700 0.098 0.000 1.029 330 E HN 0.236 nan 8.360 nan 0.000 0.419 331 I N 4.700 125.356 120.570 0.145 0.000 2.668 331 I HA 0.024 4.185 4.170 -0.015 0.000 0.285 331 I C -1.859 174.306 176.117 0.079 0.000 1.168 331 I CA -1.861 59.473 61.300 0.055 0.000 1.424 331 I CB -0.500 37.501 38.000 0.002 0.000 1.377 331 I HN 0.306 nan 8.210 nan 0.000 0.560 332 P HA 0.021 nan 4.420 nan 0.000 0.269 332 P C -0.436 176.945 177.300 0.136 0.000 1.215 332 P CA -0.274 62.755 63.100 -0.120 0.000 0.780 332 P CB 0.460 31.965 31.700 -0.325 0.000 0.898 333 D N 1.816 122.168 120.400 -0.079 0.000 2.458 333 D HA 0.071 4.702 4.640 -0.015 0.000 0.243 333 D C 0.124 176.464 176.300 0.067 0.000 1.146 333 D CA 0.886 54.752 54.000 -0.223 0.000 0.877 333 D CB 0.183 40.696 40.800 -0.479 0.000 1.176 333 D HN 0.469 nan 8.370 nan 0.000 0.461 334 H N 0.835 119.921 119.070 0.026 0.000 2.917 334 H HA 0.205 4.753 4.556 -0.013 0.000 0.269 334 H C 0.636 176.008 175.328 0.074 0.000 1.488 334 H CA -0.637 55.424 56.048 0.022 0.000 1.173 334 H CB 0.300 30.082 29.762 0.032 0.000 1.868 334 H HN 0.432 nan 8.280 nan 0.000 0.600 335 E N 0.202 120.307 120.200 -0.160 0.000 2.086 335 E HA -0.200 4.141 4.350 -0.015 0.000 0.205 335 E C 0.257 176.572 176.600 -0.475 0.000 1.027 335 E CA 2.339 58.531 56.400 -0.346 0.000 0.830 335 E CB -0.166 29.286 29.700 -0.414 0.000 0.751 335 E HN 0.403 nan 8.360 nan 0.000 0.456 336 F N -0.576 119.139 119.950 -0.392 0.000 2.639 336 F HA 0.189 4.707 4.527 -0.015 0.000 0.300 336 F C 1.069 176.886 175.800 0.029 0.000 1.109 336 F CA -0.492 57.472 58.000 -0.059 0.000 1.335 336 F CB -0.035 39.083 39.000 0.196 0.000 1.014 336 F HN 0.048 nan 8.300 nan 0.000 0.537 337 F N 1.737 121.550 119.950 -0.228 0.000 2.111 337 F HA -0.389 4.128 4.527 -0.016 0.000 0.300 337 F C 2.819 178.830 175.800 0.351 0.000 1.088 337 F CA 2.339 60.377 58.000 0.064 0.000 1.243 337 F CB -0.499 38.464 39.000 -0.062 0.000 0.996 337 F HN 0.165 nan 8.300 nan 0.000 0.483 338 T N -1.188 113.534 114.554 0.280 0.000 2.803 338 T HA -0.209 4.132 4.350 -0.015 0.000 0.269 338 T C 1.989 176.730 174.700 0.068 0.000 1.052 338 T CA 1.198 63.423 62.100 0.207 0.000 1.136 338 T CB -1.010 67.956 68.868 0.165 0.000 0.864 338 T HN 0.341 nan 8.240 nan 0.000 0.467 339 A N -0.180 122.676 122.820 0.061 0.000 2.178 339 A HA 0.119 4.430 4.320 -0.015 0.000 0.218 339 A C 1.568 178.872 177.584 -0.466 0.000 1.157 339 A CA 0.754 52.682 52.037 -0.182 0.000 0.689 339 A CB -0.880 17.993 19.000 -0.212 0.000 0.787 339 A HN 0.730 nan 8.150 nan 0.000 0.465 340 Y N -0.383 119.774 120.300 -0.238 0.000 2.457 340 Y HA 0.321 4.862 4.550 -0.015 0.000 0.263 340 Y C 1.713 177.151 175.900 -0.770 0.000 1.164 340 Y CA -0.492 57.395 58.100 -0.354 0.000 1.274 340 Y CB -0.245 38.085 38.460 -0.217 0.000 1.097 340 Y HN 0.265 nan 8.280 nan 0.000 0.523 341 G N 1.118 109.390 108.800 -0.879 0.000 2.616 341 G HA2 0.199 4.150 3.960 -0.015 0.000 0.268 341 G HA3 0.199 4.150 3.960 -0.015 0.000 0.268 341 G C -1.144 173.452 174.900 -0.506 0.000 1.213 341 G CA -0.841 43.598 45.100 -1.102 0.000 0.926 341 G HN 0.067 nan 8.290 nan 0.000 0.523 342 P HA 0.092 nan 4.420 nan 0.000 0.236 342 P C 0.119 177.241 177.300 -0.297 0.000 1.177 342 P CA 0.697 63.613 63.100 -0.307 0.000 0.773 342 P CB 0.564 32.199 31.700 -0.108 0.000 0.878 343 D N -1.554 118.661 120.400 -0.307 0.000 2.327 343 D HA 0.006 4.637 4.640 -0.015 0.000 0.205 343 D C 0.017 176.330 176.300 0.022 0.000 0.989 343 D CA 0.208 54.156 54.000 -0.087 0.000 0.873 343 D CB -0.507 40.263 40.800 -0.051 0.000 0.955 343 D HN 0.006 nan 8.370 nan 0.000 0.515 344 Y N -1.121 119.167 120.300 -0.021 0.000 3.825 344 Y HA -0.245 4.295 4.550 -0.016 0.000 0.221 344 Y C 0.104 176.023 175.900 0.032 0.000 1.195 344 Y CA 0.091 58.170 58.100 -0.034 0.000 1.699 344 Y CB -2.350 36.082 38.460 -0.047 0.000 1.531 344 Y HN -0.040 nan 8.280 nan 0.000 0.640 345 V N -3.021 116.963 119.914 0.116 0.000 2.769 345 V HA 0.577 4.688 4.120 -0.015 0.000 0.312 345 V C 0.872 177.026 176.094 0.100 0.000 1.058 345 V CA -0.994 61.371 62.300 0.108 0.000 0.952 345 V CB 1.960 33.826 31.823 0.072 0.000 1.019 345 V HN 0.061 nan 8.190 nan 0.000 0.445 346 L N 1.214 122.500 121.223 0.105 0.000 2.056 346 L HA 0.153 4.484 4.340 -0.015 0.000 0.207 346 L C 1.337 178.208 176.870 0.002 0.000 1.078 346 L CA 1.510 56.398 54.840 0.079 0.000 0.749 346 L CB -0.501 41.614 42.059 0.093 0.000 0.901 346 L HN 0.932 nan 8.230 nan 0.000 0.433 347 E N 0.255 120.443 120.200 -0.020 0.000 2.442 347 E HA 0.143 4.484 4.350 -0.015 0.000 0.262 347 E C -0.457 176.102 176.600 -0.069 0.000 1.004 347 E CA 0.653 57.008 56.400 -0.075 0.000 0.928 347 E CB 0.283 29.948 29.700 -0.058 0.000 0.937 347 E HN 0.221 nan 8.360 nan 0.000 0.446 348 I N 2.026 122.535 120.570 -0.102 0.000 2.412 348 I HA 0.184 4.345 4.170 -0.015 0.000 0.296 348 I C -0.103 175.967 176.117 -0.078 0.000 0.987 348 I CA -0.615 60.633 61.300 -0.087 0.000 1.180 348 I CB 1.780 39.718 38.000 -0.102 0.000 1.340 348 I HN 0.324 nan 8.210 nan 0.000 0.455 349 T N 6.693 121.211 114.554 -0.060 0.000 2.806 349 T HA 0.310 4.651 4.350 -0.015 0.000 0.290 349 T C -2.266 172.406 174.700 -0.046 0.000 0.966 349 T CA -1.109 60.961 62.100 -0.050 0.000 1.060 349 T CB 0.839 69.683 68.868 -0.039 0.000 0.927 349 T HN 0.288 nan 8.240 nan 0.000 0.485 350 P HA 0.097 nan 4.420 nan 0.000 0.266 350 P C 0.063 177.348 177.300 -0.025 0.000 1.193 350 P CA -0.233 62.847 63.100 -0.034 0.000 0.770 350 P CB 0.406 32.088 31.700 -0.031 0.000 0.836 351 S N 1.066 116.756 115.700 -0.017 0.000 2.655 351 S HA 0.084 4.545 4.470 -0.015 0.000 0.265 351 S C 0.827 175.422 174.600 -0.009 0.000 1.240 351 S CA -0.443 57.749 58.200 -0.012 0.000 0.986 351 S CB 0.089 63.286 63.200 -0.005 0.000 0.985 351 S HN 0.522 nan 8.310 nan 0.000 0.562 352 C N 1.427 120.723 119.300 -0.006 0.000 2.573 352 C HA 0.331 4.782 4.460 -0.015 0.000 0.273 352 C C 1.310 176.299 174.990 -0.001 0.000 1.346 352 C CA -0.540 58.475 59.018 -0.005 0.000 1.702 352 C CB -1.891 25.847 27.740 -0.005 0.000 1.751 352 C HN 0.598 nan 8.230 nan 0.000 0.583 353 R N 2.269 122.771 120.500 0.003 0.000 2.623 353 R HA 0.185 4.516 4.340 -0.015 0.000 0.271 353 R C -2.251 174.053 176.300 0.005 0.000 1.043 353 R CA -0.692 55.413 56.100 0.007 0.000 1.083 353 R CB -0.063 30.246 30.300 0.016 0.000 0.974 353 R HN 0.208 nan 8.270 nan 0.000 0.436 354 P HA -0.009 nan 4.420 nan 0.000 0.269 354 P C -0.576 176.725 177.300 0.002 0.000 1.209 354 P CA -0.164 62.938 63.100 0.003 0.000 0.776 354 P CB 0.433 32.135 31.700 0.004 0.000 0.876 355 D N 1.989 122.386 120.400 -0.005 0.000 2.339 355 D HA 0.061 4.692 4.640 -0.015 0.000 0.241 355 D C 0.617 176.911 176.300 -0.010 0.000 1.183 355 D CA -0.272 53.719 54.000 -0.013 0.000 0.859 355 D CB 0.463 41.250 40.800 -0.022 0.000 1.067 355 D HN 0.106 nan 8.370 nan 0.000 0.484 356 R N 3.066 123.561 120.500 -0.008 0.000 2.334 356 R HA 0.120 4.451 4.340 -0.015 0.000 0.220 356 R C -0.179 176.116 176.300 -0.008 0.000 0.917 356 R CA -0.188 55.911 56.100 -0.002 0.000 1.073 356 R CB -0.141 30.163 30.300 0.007 0.000 1.056 356 R HN 0.376 nan 8.270 nan 0.000 0.506 357 N N 2.596 121.282 118.700 -0.024 0.000 2.415 357 N HA 0.033 4.764 4.740 -0.015 0.000 0.246 357 N C -0.348 175.150 175.510 -0.020 0.000 1.078 357 N CA 0.083 53.113 53.050 -0.033 0.000 0.942 357 N CB 1.256 39.702 38.487 -0.068 0.000 1.140 357 N HN -0.080 nan 8.380 nan 0.000 0.501 358 E N 2.594 122.791 120.200 -0.005 0.000 2.324 358 E HA 0.084 4.425 4.350 -0.015 0.000 0.271 358 E C -1.348 175.261 176.600 0.014 0.000 1.028 358 E CA -1.789 54.621 56.400 0.017 0.000 0.890 358 E CB 1.015 30.742 29.700 0.044 0.000 1.004 358 E HN 0.347 nan 8.360 nan 0.000 0.431 359 P HA -0.150 nan 4.420 nan 0.000 0.220 359 P C 1.267 178.586 177.300 0.031 0.000 1.148 359 P CA 1.066 64.173 63.100 0.012 0.000 0.803 359 P CB 0.100 31.810 31.700 0.018 0.000 0.782 360 H N 0.024 119.083 119.070 -0.017 0.000 2.387 360 H HA -0.111 4.436 4.556 -0.015 0.000 0.299 360 H C 2.155 177.475 175.328 -0.013 0.000 1.090 360 H CA 1.410 57.451 56.048 -0.013 0.000 1.332 360 H CB 0.143 29.901 29.762 -0.007 0.000 1.386 360 H HN -0.179 nan 8.280 nan 0.000 0.516 361 R N 0.861 121.260 120.500 -0.170 0.000 2.081 361 R HA -0.076 4.255 4.340 -0.015 0.000 0.235 361 R C 2.414 178.610 176.300 -0.172 0.000 1.131 361 R CA 1.152 57.131 56.100 -0.201 0.000 0.960 361 R CB -0.640 29.614 30.300 -0.077 0.000 0.856 361 R HN 0.336 nan 8.270 nan 0.000 0.436 362 I N 0.722 121.219 120.570 -0.122 0.000 2.286 362 I HA -0.190 3.971 4.170 -0.015 0.000 0.248 362 I C 2.070 178.116 176.117 -0.118 0.000 1.115 362 I CA 1.246 62.475 61.300 -0.117 0.000 1.392 362 I CB -1.064 36.875 38.000 -0.101 0.000 1.065 362 I HN 0.285 nan 8.210 nan 0.000 0.418 363 Q N 1.185 120.914 119.800 -0.119 0.000 2.046 363 Q HA -0.200 4.131 4.340 -0.015 0.000 0.200 363 Q C 2.253 178.192 176.000 -0.101 0.000 0.975 363 Q CA 1.657 57.403 55.803 -0.095 0.000 0.836 363 Q CB -0.137 28.568 28.738 -0.054 0.000 0.896 363 Q HN 0.566 nan 8.270 nan 0.000 0.428 364 Q N -0.313 119.387 119.800 -0.167 0.000 2.096 364 Q HA -0.181 4.150 4.340 -0.015 0.000 0.204 364 Q C 2.154 178.140 176.000 -0.023 0.000 0.982 364 Q CA 1.633 57.376 55.803 -0.100 0.000 0.850 364 Q CB -0.375 28.273 28.738 -0.151 0.000 0.901 364 Q HN 0.414 nan 8.270 nan 0.000 0.422 365 I N 1.051 121.570 120.570 -0.085 0.000 2.163 365 I HA -0.307 3.854 4.170 -0.015 0.000 0.243 365 I C 2.332 178.425 176.117 -0.040 0.000 1.085 365 I CA 1.261 62.505 61.300 -0.093 0.000 1.347 365 I CB -0.321 37.587 38.000 -0.155 0.000 1.044 365 I HN 0.180 nan 8.210 nan 0.000 0.408 366 L N 0.089 121.277 121.223 -0.057 0.000 2.046 366 L HA -0.234 4.097 4.340 -0.015 0.000 0.208 366 L C 2.128 178.996 176.870 -0.004 0.000 1.077 366 L CA 1.851 56.663 54.840 -0.046 0.000 0.747 366 L CB -0.887 41.130 42.059 -0.070 0.000 0.896 366 L HN 0.350 nan 8.230 nan 0.000 0.432 367 N N -1.022 117.682 118.700 0.007 0.000 2.106 367 N HA -0.230 4.501 4.740 -0.015 0.000 0.188 367 N C 1.918 177.458 175.510 0.051 0.000 1.029 367 N CA 1.042 54.101 53.050 0.014 0.000 0.848 367 N CB -0.220 38.267 38.487 0.001 0.000 1.007 367 N HN 0.207 nan 8.380 nan 0.000 0.423 368 Y N 1.657 121.928 120.300 -0.048 0.000 2.069 368 Y HA -0.294 4.246 4.550 -0.016 0.000 0.278 368 Y C 2.077 177.963 175.900 -0.024 0.000 1.175 368 Y CA 1.528 59.608 58.100 -0.034 0.000 1.134 368 Y CB -0.126 38.304 38.460 -0.050 0.000 0.965 368 Y HN 0.045 nan 8.280 nan 0.000 0.498 369 I N 0.013 120.711 120.570 0.213 0.000 2.226 369 I HA -0.318 3.843 4.170 -0.015 0.000 0.245 369 I C 2.526 178.677 176.117 0.056 0.000 1.100 369 I CA 1.509 62.880 61.300 0.119 0.000 1.374 369 I CB -0.452 37.570 38.000 0.037 0.000 1.057 369 I HN 0.161 nan 8.210 nan 0.000 0.413 370 K N 1.134 121.549 120.400 0.025 0.000 2.032 370 K HA -0.181 4.130 4.320 -0.015 0.000 0.209 370 K C 2.170 178.754 176.600 -0.026 0.000 1.048 370 K CA 1.681 57.964 56.287 -0.007 0.000 0.927 370 K CB -0.501 31.989 32.500 -0.016 0.000 0.712 370 K HN 0.406 nan 8.250 nan 0.000 0.441 371 G N 1.573 110.354 108.800 -0.031 0.000 2.553 371 G HA2 -0.342 3.609 3.960 -0.015 0.000 0.218 371 G HA3 -0.342 3.609 3.960 -0.015 0.000 0.218 371 G C 1.290 176.183 174.900 -0.011 0.000 1.195 371 G CA 1.285 46.351 45.100 -0.057 0.000 0.779 371 G HN 0.332 nan 8.290 nan 0.000 0.577 372 N N 0.597 119.318 118.700 0.034 0.000 2.061 372 N HA -0.079 4.652 4.740 -0.015 0.000 0.193 372 N C 2.237 177.736 175.510 -0.017 0.000 1.030 372 N CA 0.941 54.025 53.050 0.056 0.000 0.856 372 N CB -0.515 38.096 38.487 0.207 0.000 1.023 372 N HN 0.335 nan 8.380 nan 0.000 0.424 373 L N 0.879 122.089 121.223 -0.020 0.000 2.376 373 L HA -0.032 4.299 4.340 -0.015 0.000 0.219 373 L C 2.033 178.840 176.870 -0.106 0.000 1.133 373 L CA 0.640 55.440 54.840 -0.067 0.000 0.816 373 L CB -0.166 41.865 42.059 -0.047 0.000 0.933 373 L HN 0.111 nan 8.230 nan 0.000 0.449 374 K N -0.468 119.852 120.400 -0.133 0.000 2.218 374 K HA -0.208 4.103 4.320 -0.015 0.000 0.205 374 K C 1.790 178.201 176.600 -0.314 0.000 1.046 374 K CA 1.404 57.558 56.287 -0.221 0.000 0.933 374 K CB -0.187 32.144 32.500 -0.281 0.000 0.728 374 K HN 0.425 nan 8.250 nan 0.000 0.454 375 H N -0.856 118.006 119.070 -0.347 0.000 2.546 375 H HA 0.016 4.563 4.556 -0.015 0.000 0.277 375 H C -0.033 175.190 175.328 -0.174 0.000 1.004 375 H CA 0.240 56.074 56.048 -0.356 0.000 1.231 375 H CB 0.179 29.438 29.762 -0.838 0.000 1.382 375 H HN -0.143 nan 8.280 nan 0.000 0.580 376 V N 2.234 122.097 119.914 -0.085 0.000 2.368 376 V HA 0.191 4.302 4.120 -0.015 0.000 0.266 376 V C -0.294 175.795 176.094 -0.008 0.000 1.045 376 V CA -0.401 61.854 62.300 -0.075 0.000 0.899 376 V CB 0.910 32.569 31.823 -0.273 0.000 1.006 376 V HN -0.009 nan 8.190 nan 0.000 0.470 377 V N 6.334 126.286 119.914 0.064 0.000 2.577 377 V HA 0.501 4.612 4.120 -0.015 0.000 0.303 377 V C -0.089 176.044 176.094 0.066 0.000 1.042 377 V CA -0.572 61.748 62.300 0.035 0.000 0.872 377 V CB 1.951 33.778 31.823 0.006 0.000 0.998 377 V HN 0.515 nan 8.190 nan 0.000 0.423 378 I N 0.000 120.582 120.570 0.019 0.000 2.984 378 I HA 0.000 4.161 4.170 -0.015 0.000 0.288 378 I CA 0.000 61.304 61.300 0.007 0.000 1.566 378 I CB 0.000 37.955 38.000 -0.076 0.000 1.214 378 I HN 0.000 nan 8.210 nan 0.000 0.494