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 3mz7_1_A DATA FIRST_RESID 14 DATA SEQUENCE LVPVYIYSPE YVSMCDSLAK IPKRASMVHS LIEAYALHKQ MRIVKPKVAS DATA SEQUENCE MEEMATFHTD AYLQHLQKVS QEXXXXXXXX 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 0.000 176.874 176.870 0.007 0.000 1.165 14 L CA 0.000 54.846 54.840 0.009 0.000 0.813 14 L CB 0.000 42.067 42.059 0.013 0.000 0.961 15 V N -0.537 119.382 119.914 0.008 0.000 2.904 15 V HA 0.695 4.807 4.120 -0.015 0.000 0.305 15 V C -2.405 173.696 176.094 0.011 0.000 1.067 15 V CA -1.558 60.746 62.300 0.005 0.000 1.044 15 V CB 0.551 32.377 31.823 0.005 0.000 1.050 15 V HN 0.668 nan 8.190 nan 0.000 0.475 16 P HA 0.201 nan 4.420 nan 0.000 0.268 16 P C -0.377 176.945 177.300 0.037 0.000 1.204 16 P CA 0.002 63.108 63.100 0.010 0.000 0.768 16 P CB 0.559 32.260 31.700 0.002 0.000 0.842 17 V N 4.585 124.518 119.914 0.032 0.000 2.614 17 V HA 0.054 4.165 4.120 -0.015 0.000 0.291 17 V C -0.175 175.983 176.094 0.106 0.000 1.049 17 V CA 0.129 62.464 62.300 0.059 0.000 1.038 17 V CB -0.100 31.736 31.823 0.022 0.000 0.980 17 V HN 0.454 nan 8.190 nan 0.000 0.481 18 Y N 5.525 125.829 120.300 0.008 0.000 2.345 18 Y HA 0.509 5.050 4.550 -0.015 0.000 0.331 18 Y C -0.103 175.837 175.900 0.067 0.000 0.959 18 Y CA -1.115 57.003 58.100 0.029 0.000 1.204 18 Y CB 0.903 39.422 38.460 0.097 0.000 1.135 18 Y HN 0.424 nan 8.280 nan 0.000 0.477 19 I N 7.335 127.753 120.570 -0.255 0.000 2.496 19 I HA 0.134 4.296 4.170 -0.015 0.000 0.285 19 I C -0.721 175.228 176.117 -0.280 0.000 1.080 19 I CA -0.035 61.123 61.300 -0.235 0.000 1.404 19 I CB 0.315 38.164 38.000 -0.251 0.000 1.403 19 I HN 0.739 nan 8.210 nan 0.000 0.539 20 Y N 5.355 125.490 120.300 -0.275 0.000 2.527 20 Y HA 0.418 4.959 4.550 -0.014 0.000 0.328 20 Y C -1.108 174.756 175.900 -0.061 0.000 1.216 20 Y CA -1.038 56.953 58.100 -0.182 0.000 1.152 20 Y CB 1.117 39.422 38.460 -0.258 0.000 1.342 20 Y HN 0.678 nan 8.280 nan 0.000 0.465 21 S N 4.407 119.518 115.700 -0.983 0.000 2.565 21 S HA 0.554 5.015 4.470 -0.015 0.000 0.269 21 S C -3.025 171.034 174.600 -0.902 0.000 1.153 21 S CA -1.260 56.309 58.200 -1.053 0.000 0.835 21 S CB 2.435 65.401 63.200 -0.389 0.000 1.122 21 S HN 0.301 nan 8.310 nan 0.000 0.462 22 P HA -0.044 nan 4.420 nan 0.000 0.216 22 P C 0.811 178.063 177.300 -0.080 0.000 1.150 22 P CA 1.454 64.448 63.100 -0.176 0.000 0.837 22 P CB 0.036 31.717 31.700 -0.032 0.000 0.786 23 E N -2.214 117.941 120.200 -0.075 0.000 2.158 23 E HA -0.135 4.206 4.350 -0.015 0.000 0.191 23 E C 1.927 178.552 176.600 0.042 0.000 0.982 23 E CA 0.609 57.008 56.400 -0.001 0.000 0.823 23 E CB -0.957 28.747 29.700 0.007 0.000 0.766 23 E HN 0.371 nan 8.360 nan 0.000 0.468 24 Y N 0.580 120.807 120.300 -0.121 0.000 2.145 24 Y HA -0.263 4.278 4.550 -0.015 0.000 0.286 24 Y C 2.017 177.890 175.900 -0.044 0.000 1.145 24 Y CA 1.025 59.071 58.100 -0.089 0.000 1.148 24 Y CB -0.009 38.364 38.460 -0.144 0.000 0.981 24 Y HN -0.132 nan 8.280 nan 0.000 0.507 25 V N -0.204 119.639 119.914 -0.119 0.000 2.255 25 V HA -0.342 3.769 4.120 -0.015 0.000 0.247 25 V C 2.384 178.431 176.094 -0.078 0.000 1.051 25 V CA 2.188 64.421 62.300 -0.112 0.000 1.018 25 V CB -0.963 30.915 31.823 0.092 0.000 0.641 25 V HN 0.447 nan 8.190 nan 0.000 0.445 26 S N -0.513 115.178 115.700 -0.015 0.000 2.380 26 S HA -0.361 4.101 4.470 -0.015 0.000 0.229 26 S C 1.895 176.457 174.600 -0.064 0.000 1.043 26 S CA 2.494 60.691 58.200 -0.006 0.000 1.038 26 S CB -0.482 62.736 63.200 0.030 0.000 0.872 26 S HN 0.515 nan 8.310 nan 0.000 0.456 27 M N 0.807 120.367 119.600 -0.065 0.000 2.065 27 M HA -0.139 4.332 4.480 -0.015 0.000 0.259 27 M C 2.119 178.213 176.300 -0.344 0.000 1.069 27 M CA 1.612 56.848 55.300 -0.107 0.000 1.110 27 M CB -0.448 32.195 32.600 0.071 0.000 1.328 27 M HN 0.383 nan 8.290 nan 0.000 0.405 28 C N 0.324 119.441 119.300 -0.304 0.000 2.446 28 C HA -0.088 4.364 4.460 -0.015 0.000 0.279 28 C C 2.062 176.936 174.990 -0.194 0.000 1.366 28 C CA 0.496 59.352 59.018 -0.270 0.000 1.763 28 C CB -1.327 26.218 27.740 -0.326 0.000 1.929 28 C HN 0.557 nan 8.230 nan 0.000 0.509 29 D N 1.332 121.637 120.400 -0.159 0.000 2.190 29 D HA -0.108 4.523 4.640 -0.015 0.000 0.200 29 D C 2.169 178.385 176.300 -0.140 0.000 0.992 29 D CA 1.370 55.311 54.000 -0.099 0.000 0.854 29 D CB -0.337 40.444 40.800 -0.032 0.000 0.936 29 D HN 0.430 nan 8.370 nan 0.000 0.462 30 S N -0.061 115.473 115.700 -0.276 0.000 2.447 30 S HA -0.070 4.391 4.470 -0.015 0.000 0.233 30 S C 0.694 175.153 174.600 -0.236 0.000 1.006 30 S CA -0.086 57.928 58.200 -0.309 0.000 0.957 30 S CB 0.103 62.928 63.200 -0.626 0.000 0.773 30 S HN 0.144 nan 8.310 nan 0.000 0.507 31 L N 2.161 123.258 121.223 -0.211 0.000 2.534 31 L HA 0.134 4.465 4.340 -0.015 0.000 0.271 31 L C 1.356 178.182 176.870 -0.073 0.000 1.178 31 L CA -0.298 54.490 54.840 -0.085 0.000 0.907 31 L CB -0.455 41.620 42.059 0.027 0.000 1.164 31 L HN 0.145 nan 8.230 nan 0.000 0.482 32 A N 4.119 126.888 122.820 -0.085 0.000 2.066 32 A HA -0.100 4.211 4.320 -0.015 0.000 0.218 32 A C 1.997 179.495 177.584 -0.143 0.000 1.157 32 A CA 1.015 52.989 52.037 -0.104 0.000 0.670 32 A CB -0.185 18.752 19.000 -0.104 0.000 0.804 32 A HN 0.707 nan 8.150 nan 0.000 0.453 33 K N -0.313 119.966 120.400 -0.201 0.000 2.305 33 K HA 0.154 4.466 4.320 -0.015 0.000 0.199 33 K C 0.659 177.251 176.600 -0.013 0.000 1.047 33 K CA 0.962 57.126 56.287 -0.206 0.000 0.976 33 K CB 0.031 32.238 32.500 -0.488 0.000 0.765 33 K HN 0.721 nan 8.250 nan 0.000 0.474 34 I N -1.526 119.040 120.570 -0.006 0.000 2.944 34 I HA 0.338 4.500 4.170 -0.015 0.000 0.334 34 I C -2.688 173.415 176.117 -0.022 0.000 1.420 34 I CA -2.353 58.955 61.300 0.013 0.000 0.856 34 I CB 0.732 38.752 38.000 0.033 0.000 2.091 34 I HN -0.275 nan 8.210 nan 0.000 0.571 35 P HA 0.003 nan 4.420 nan 0.000 0.264 35 P C 0.070 177.349 177.300 -0.035 0.000 1.193 35 P CA 0.468 63.548 63.100 -0.034 0.000 0.763 35 P CB 0.717 32.403 31.700 -0.025 0.000 0.810 36 K N 0.999 121.383 120.400 -0.027 0.000 3.426 36 K HA -0.231 4.080 4.320 -0.015 0.000 0.315 36 K C 1.426 177.955 176.600 -0.118 0.000 1.293 36 K CA 1.024 57.295 56.287 -0.027 0.000 0.955 36 K CB -1.847 30.675 32.500 0.037 0.000 1.238 36 K HN 0.556 nan 8.250 nan 0.000 0.441 37 R N 0.864 121.309 120.500 -0.091 0.000 2.081 37 R HA -0.067 4.265 4.340 -0.015 0.000 0.235 37 R C 2.241 178.511 176.300 -0.049 0.000 1.131 37 R CA 1.747 57.782 56.100 -0.108 0.000 0.960 37 R CB -0.171 30.088 30.300 -0.069 0.000 0.856 37 R HN 0.349 nan 8.270 nan 0.000 0.436 38 A N 0.022 122.850 122.820 0.012 0.000 1.908 38 A HA -0.162 4.149 4.320 -0.015 0.000 0.218 38 A C 2.196 179.846 177.584 0.109 0.000 1.181 38 A CA 2.026 54.108 52.037 0.075 0.000 0.627 38 A CB -0.548 18.455 19.000 0.005 0.000 0.818 38 A HN 0.406 nan 8.150 nan 0.000 0.445 39 S N -0.436 115.306 115.700 0.069 0.000 2.368 39 S HA -0.147 4.315 4.470 -0.015 0.000 0.225 39 S C 2.023 176.629 174.600 0.010 0.000 1.030 39 S CA 1.722 60.020 58.200 0.163 0.000 0.999 39 S CB -0.414 62.963 63.200 0.295 0.000 0.844 39 S HN 0.582 nan 8.310 nan 0.000 0.459 40 M N 0.687 120.063 119.600 -0.374 0.000 2.080 40 M HA -0.111 4.360 4.480 -0.015 0.000 0.260 40 M C 2.163 178.430 176.300 -0.056 0.000 1.068 40 M CA 1.290 56.319 55.300 -0.453 0.000 1.109 40 M CB -0.774 31.521 32.600 -0.508 0.000 1.342 40 M HN 0.164 nan 8.290 nan 0.000 0.405 41 V N -0.446 119.474 119.914 0.011 0.000 2.237 41 V HA -0.307 3.804 4.120 -0.015 0.000 0.245 41 V C 2.327 178.514 176.094 0.155 0.000 1.046 41 V CA 2.500 64.852 62.300 0.086 0.000 1.007 41 V CB -1.048 30.893 31.823 0.197 0.000 0.638 41 V HN 0.487 nan 8.190 nan 0.000 0.445 42 H N 0.514 119.672 119.070 0.148 0.000 2.352 42 H HA -0.143 4.404 4.556 -0.016 0.000 0.299 42 H C 2.368 177.718 175.328 0.037 0.000 1.097 42 H CA 2.026 58.162 56.048 0.147 0.000 1.311 42 H CB -0.198 29.662 29.762 0.163 0.000 1.377 42 H HN 0.368 nan 8.280 nan 0.000 0.504 43 S N -0.249 115.441 115.700 -0.016 0.000 2.382 43 S HA -0.112 4.349 4.470 -0.015 0.000 0.228 43 S C 2.073 176.501 174.600 -0.287 0.000 1.027 43 S CA 1.134 59.294 58.200 -0.066 0.000 0.991 43 S CB -0.352 63.082 63.200 0.390 0.000 0.823 43 S HN 0.354 nan 8.310 nan 0.000 0.469 44 L N 1.445 122.523 121.223 -0.242 0.000 2.072 44 L HA 0.147 4.478 4.340 -0.015 0.000 0.205 44 L C 1.890 178.712 176.870 -0.080 0.000 1.079 44 L CA 1.324 55.983 54.840 -0.302 0.000 0.752 44 L CB -0.456 41.513 42.059 -0.149 0.000 0.906 44 L HN 0.242 nan 8.230 nan 0.000 0.436 45 I N -0.541 119.982 120.570 -0.078 0.000 2.208 45 I HA -0.315 3.846 4.170 -0.015 0.000 0.245 45 I C 2.500 178.544 176.117 -0.123 0.000 1.097 45 I CA 1.474 62.741 61.300 -0.054 0.000 1.363 45 I CB -0.256 37.725 38.000 -0.031 0.000 1.051 45 I HN 0.370 nan 8.210 nan 0.000 0.413 46 E N 0.680 120.651 120.200 -0.382 0.000 2.058 46 E HA -0.278 4.063 4.350 -0.015 0.000 0.194 46 E C 2.258 178.746 176.600 -0.186 0.000 0.997 46 E CA 1.398 57.492 56.400 -0.510 0.000 0.801 46 E CB -0.112 29.153 29.700 -0.725 0.000 0.746 46 E HN 0.528 nan 8.360 nan 0.000 0.450 47 A N -0.348 122.349 122.820 -0.205 0.000 2.070 47 A HA -0.155 4.156 4.320 -0.015 0.000 0.220 47 A C 1.340 178.809 177.584 -0.192 0.000 1.159 47 A CA 1.052 52.965 52.037 -0.206 0.000 0.656 47 A CB -0.417 18.376 19.000 -0.345 0.000 0.800 47 A HN 0.359 nan 8.150 nan 0.000 0.453 48 Y N -1.901 118.349 120.300 -0.084 0.000 2.457 48 Y HA 0.395 4.937 4.550 -0.013 0.000 0.263 48 Y C 1.522 177.416 175.900 -0.010 0.000 1.164 48 Y CA 0.256 58.330 58.100 -0.043 0.000 1.274 48 Y CB 0.216 38.645 38.460 -0.052 0.000 1.097 48 Y HN 0.468 nan 8.280 nan 0.000 0.523 49 A N -0.490 122.432 122.820 0.169 0.000 2.952 49 A HA -0.246 4.065 4.320 -0.015 0.000 0.252 49 A C 1.145 178.758 177.584 0.048 0.000 1.323 49 A CA 1.210 53.326 52.037 0.131 0.000 0.957 49 A CB -2.186 16.834 19.000 0.033 0.000 1.130 49 A HN 0.501 nan 8.150 nan 0.000 0.799 50 L N -1.074 120.216 121.223 0.111 0.000 2.240 50 L HA -0.081 4.251 4.340 -0.015 0.000 0.211 50 L C 2.281 179.109 176.870 -0.069 0.000 1.106 50 L CA 1.583 56.419 54.840 -0.006 0.000 0.793 50 L CB -0.730 41.315 42.059 -0.023 0.000 0.927 50 L HN 0.894 nan 8.230 nan 0.000 0.446 51 H N -0.913 118.035 119.070 -0.204 0.000 2.489 51 H HA -0.078 4.470 4.556 -0.014 0.000 0.293 51 H C 2.002 177.289 175.328 -0.069 0.000 1.066 51 H CA 0.720 56.645 56.048 -0.206 0.000 1.305 51 H CB -0.173 29.488 29.762 -0.169 0.000 1.386 51 H HN 0.187 nan 8.280 nan 0.000 0.551 52 K N 0.558 120.609 120.400 -0.581 0.000 2.097 52 K HA -0.100 4.211 4.320 -0.015 0.000 0.205 52 K C 1.487 177.985 176.600 -0.171 0.000 1.050 52 K CA 1.472 57.519 56.287 -0.399 0.000 0.938 52 K CB 0.070 32.355 32.500 -0.358 0.000 0.718 52 K HN 0.579 nan 8.250 nan 0.000 0.442 53 Q N -0.160 119.562 119.800 -0.130 0.000 2.247 53 Q HA 0.200 4.532 4.340 -0.015 0.000 0.205 53 Q C 0.039 176.014 176.000 -0.042 0.000 0.896 53 Q CA 0.087 55.847 55.803 -0.070 0.000 0.950 53 Q CB 0.360 29.063 28.738 -0.059 0.000 1.054 53 Q HN 0.214 nan 8.270 nan 0.000 0.482 54 M N -0.004 119.577 119.600 -0.031 0.000 2.631 54 M HA 0.406 4.877 4.480 -0.015 0.000 0.288 54 M C -0.738 175.596 176.300 0.057 0.000 1.260 54 M CA -0.819 54.492 55.300 0.018 0.000 0.842 54 M CB 2.854 35.471 32.600 0.029 0.000 1.743 54 M HN -0.084 nan 8.290 nan 0.000 0.461 55 R N 1.909 122.458 120.500 0.080 0.000 2.254 55 R HA 0.549 4.881 4.340 -0.015 0.000 0.318 55 R C -1.322 175.074 176.300 0.160 0.000 1.031 55 R CA -0.260 55.898 56.100 0.096 0.000 0.905 55 R CB 0.511 30.849 30.300 0.064 0.000 1.050 55 R HN 0.673 nan 8.270 nan 0.000 0.456 56 I N 5.393 126.076 120.570 0.188 0.000 2.342 56 I HA 0.214 4.375 4.170 -0.015 0.000 0.291 56 I C -0.435 175.772 176.117 0.150 0.000 1.010 56 I CA -0.783 60.671 61.300 0.256 0.000 1.308 56 I CB 1.662 39.869 38.000 0.344 0.000 1.400 56 I HN 0.308 nan 8.210 nan 0.000 0.488 57 V N 6.604 126.576 119.914 0.098 0.000 2.531 57 V HA 0.248 4.359 4.120 -0.015 0.000 0.301 57 V C 0.124 176.193 176.094 -0.042 0.000 1.034 57 V CA -1.022 61.290 62.300 0.020 0.000 0.865 57 V CB 1.957 33.776 31.823 -0.006 0.000 0.995 57 V HN 0.635 nan 8.190 nan 0.000 0.424 58 K N 6.277 126.642 120.400 -0.057 0.000 2.412 58 K HA 0.245 4.556 4.320 -0.015 0.000 0.284 58 K C -2.232 174.271 176.600 -0.163 0.000 1.046 58 K CA -1.283 54.935 56.287 -0.116 0.000 0.999 58 K CB 0.832 33.280 32.500 -0.086 0.000 0.941 58 K HN 0.420 nan 8.250 nan 0.000 0.474 59 P HA 0.057 nan 4.420 nan 0.000 0.271 59 P C -1.153 176.016 177.300 -0.219 0.000 1.216 59 P CA -0.149 62.758 63.100 -0.322 0.000 0.776 59 P CB 0.735 32.048 31.700 -0.644 0.000 0.881 60 K N 1.194 121.495 120.400 -0.164 0.000 2.144 60 K HA 0.335 4.646 4.320 -0.015 0.000 0.270 60 K C -0.248 176.285 176.600 -0.112 0.000 1.005 60 K CA -0.728 55.493 56.287 -0.110 0.000 0.932 60 K CB 0.534 32.990 32.500 -0.073 0.000 1.021 60 K HN 0.144 nan 8.250 nan 0.000 0.462 61 V N 2.619 122.488 119.914 -0.074 0.000 2.572 61 V HA 0.140 4.251 4.120 -0.015 0.000 0.291 61 V C 0.264 176.330 176.094 -0.047 0.000 1.039 61 V CA -0.498 61.768 62.300 -0.057 0.000 1.055 61 V CB 0.829 32.636 31.823 -0.026 0.000 0.969 61 V HN 0.879 nan 8.190 nan 0.000 0.482 62 A N 4.917 127.703 122.820 -0.056 0.000 2.450 62 A HA 0.502 4.813 4.320 -0.015 0.000 0.255 62 A C 0.763 178.343 177.584 -0.007 0.000 1.096 62 A CA 0.091 52.108 52.037 -0.033 0.000 0.778 62 A CB 0.109 19.087 19.000 -0.037 0.000 1.031 62 A HN 1.111 nan 8.150 nan 0.000 0.494 63 S N 2.618 118.330 115.700 0.020 0.000 2.624 63 S HA 0.269 4.730 4.470 -0.015 0.000 0.263 63 S C 1.082 175.729 174.600 0.079 0.000 1.287 63 S CA 0.217 58.446 58.200 0.049 0.000 0.990 63 S CB 0.399 63.624 63.200 0.040 0.000 0.950 63 S HN 0.727 nan 8.310 nan 0.000 0.561 64 M N 0.792 120.458 119.600 0.110 0.000 2.159 64 M HA -0.035 4.437 4.480 -0.015 0.000 0.263 64 M C 1.907 178.269 176.300 0.103 0.000 1.063 64 M CA 1.761 57.142 55.300 0.136 0.000 1.110 64 M CB -0.804 31.871 32.600 0.125 0.000 1.374 64 M HN 0.895 nan 8.290 nan 0.000 0.411 65 E N -0.787 119.458 120.200 0.076 0.000 2.112 65 E HA -0.166 4.175 4.350 -0.015 0.000 0.190 65 E C 1.913 178.557 176.600 0.073 0.000 0.979 65 E CA 1.107 57.547 56.400 0.066 0.000 0.814 65 E CB -0.075 29.654 29.700 0.048 0.000 0.762 65 E HN 0.622 nan 8.360 nan 0.000 0.460 66 E N 0.425 120.666 120.200 0.069 0.000 2.077 66 E HA -0.167 4.174 4.350 -0.015 0.000 0.193 66 E C 1.997 178.661 176.600 0.107 0.000 0.989 66 E CA 1.094 57.537 56.400 0.072 0.000 0.800 66 E CB -0.005 29.725 29.700 0.050 0.000 0.746 66 E HN 0.249 nan 8.360 nan 0.000 0.452 67 M N -0.008 119.667 119.600 0.126 0.000 2.319 67 M HA -0.044 4.427 4.480 -0.015 0.000 0.265 67 M C 2.151 178.590 176.300 0.231 0.000 1.068 67 M CA 0.929 56.350 55.300 0.202 0.000 1.118 67 M CB 0.083 32.796 32.600 0.187 0.000 1.395 67 M HN 0.051 nan 8.290 nan 0.000 0.435 68 A N 0.355 123.271 122.820 0.160 0.000 2.235 68 A HA -0.041 4.271 4.320 -0.015 0.000 0.208 68 A C 2.090 179.733 177.584 0.099 0.000 1.172 68 A CA 1.336 53.448 52.037 0.125 0.000 0.786 68 A CB -1.072 17.983 19.000 0.092 0.000 0.804 68 A HN 0.589 nan 8.150 nan 0.000 0.479 69 T N -3.801 110.824 114.554 0.118 0.000 2.881 69 T HA -0.129 4.212 4.350 -0.015 0.000 0.270 69 T C 1.392 176.185 174.700 0.156 0.000 1.068 69 T CA 1.669 63.838 62.100 0.115 0.000 1.131 69 T CB -0.303 68.631 68.868 0.111 0.000 0.871 69 T HN 0.412 nan 8.240 nan 0.000 0.479 70 F N 1.095 121.014 119.950 -0.052 0.000 2.537 70 F HA 0.364 4.883 4.527 -0.013 0.000 0.275 70 F C 0.979 176.658 175.800 -0.201 0.000 0.947 70 F CA -0.824 57.063 58.000 -0.187 0.000 1.238 70 F CB 0.094 38.899 39.000 -0.324 0.000 1.071 70 F HN 0.079 nan 8.300 nan 0.000 0.749 71 H N 1.497 120.475 119.070 -0.152 0.000 2.629 71 H HA 0.225 4.773 4.556 -0.015 0.000 0.357 71 H C 0.430 175.689 175.328 -0.116 0.000 1.121 71 H CA 0.640 56.536 56.048 -0.252 0.000 1.406 71 H CB 0.833 30.620 29.762 0.042 0.000 1.456 71 H HN 0.159 nan 8.280 nan 0.000 0.579 72 T N -0.553 114.005 114.554 0.006 0.000 2.898 72 T HA -0.012 4.329 4.350 -0.015 0.000 0.301 72 T C 1.090 175.834 174.700 0.073 0.000 1.049 72 T CA -0.743 61.370 62.100 0.020 0.000 1.095 72 T CB 0.835 69.701 68.868 -0.002 0.000 0.976 72 T HN 0.436 nan 8.240 nan 0.000 0.539 73 D N 1.590 122.015 120.400 0.043 0.000 2.117 73 D HA -0.102 4.529 4.640 -0.015 0.000 0.197 73 D C 2.334 178.636 176.300 0.004 0.000 0.987 73 D CA 1.595 55.616 54.000 0.034 0.000 0.829 73 D CB -0.428 40.388 40.800 0.027 0.000 0.961 73 D HN 0.783 nan 8.370 nan 0.000 0.460 74 A N 0.654 123.474 122.820 0.001 0.000 1.877 74 A HA -0.237 4.074 4.320 -0.015 0.000 0.216 74 A C 2.182 179.615 177.584 -0.251 0.000 1.186 74 A CA 1.368 53.392 52.037 -0.021 0.000 0.620 74 A CB -1.122 17.930 19.000 0.087 0.000 0.822 74 A HN 0.309 nan 8.150 nan 0.000 0.443 75 Y N 0.535 120.526 120.300 -0.515 0.000 2.097 75 Y HA -0.217 4.324 4.550 -0.015 0.000 0.282 75 Y C 2.019 177.756 175.900 -0.272 0.000 1.152 75 Y CA 2.025 59.688 58.100 -0.729 0.000 1.136 75 Y CB -0.498 37.713 38.460 -0.415 0.000 0.975 75 Y HN 0.214 nan 8.280 nan 0.000 0.498 76 L N -0.242 120.871 121.223 -0.184 0.000 2.046 76 L HA -0.275 4.057 4.340 -0.015 0.000 0.208 76 L C 2.535 179.326 176.870 -0.131 0.000 1.077 76 L CA 1.794 56.568 54.840 -0.111 0.000 0.747 76 L CB -0.574 41.552 42.059 0.111 0.000 0.896 76 L HN 0.305 nan 8.230 nan 0.000 0.432 77 Q N -1.433 118.294 119.800 -0.123 0.000 2.083 77 Q HA -0.228 4.104 4.340 -0.015 0.000 0.198 77 Q C 2.092 178.013 176.000 -0.132 0.000 0.969 77 Q CA 1.384 57.108 55.803 -0.131 0.000 0.838 77 Q CB -0.132 28.568 28.738 -0.063 0.000 0.900 77 Q HN 0.435 nan 8.270 nan 0.000 0.436 78 H N 0.823 119.773 119.070 -0.200 0.000 2.265 78 H HA -0.163 4.384 4.556 -0.015 0.000 0.295 78 H C 1.856 177.083 175.328 -0.168 0.000 1.084 78 H CA 1.817 57.791 56.048 -0.125 0.000 1.261 78 H CB -0.440 29.319 29.762 -0.005 0.000 1.360 78 H HN 0.161 nan 8.280 nan 0.000 0.487 79 L N 0.130 121.150 121.223 -0.338 0.000 2.034 79 L HA -0.342 3.989 4.340 -0.015 0.000 0.217 79 L C 2.569 179.342 176.870 -0.162 0.000 1.077 79 L CA 2.344 57.030 54.840 -0.256 0.000 0.769 79 L CB -0.550 41.368 42.059 -0.236 0.000 0.890 79 L HN 0.546 nan 8.230 nan 0.000 0.435 80 Q N -0.209 119.416 119.800 -0.292 0.000 2.046 80 Q HA -0.252 4.079 4.340 -0.015 0.000 0.200 80 Q C 2.208 177.983 176.000 -0.376 0.000 0.975 80 Q CA 1.764 57.199 55.803 -0.613 0.000 0.836 80 Q CB 0.032 28.132 28.738 -1.063 0.000 0.896 80 Q HN 0.403 nan 8.270 nan 0.000 0.428 81 K N -0.089 120.126 120.400 -0.309 0.000 2.009 81 K HA -0.165 4.146 4.320 -0.015 0.000 0.210 81 K C 2.128 178.601 176.600 -0.211 0.000 1.049 81 K CA 1.848 57.999 56.287 -0.226 0.000 0.929 81 K CB -0.439 31.963 32.500 -0.164 0.000 0.714 81 K HN 0.357 nan 8.250 nan 0.000 0.440 82 V N -1.135 118.609 119.914 -0.284 0.000 2.867 82 V HA -0.173 3.938 4.120 -0.015 0.000 0.260 82 V C 1.985 177.993 176.094 -0.142 0.000 1.099 82 V CA 2.189 64.360 62.300 -0.214 0.000 1.122 82 V CB -0.202 31.457 31.823 -0.273 0.000 0.708 82 V HN 0.215 nan 8.190 nan 0.000 0.490 83 S N -0.336 115.275 115.700 -0.149 0.000 2.481 83 S HA -0.107 4.355 4.470 -0.015 0.000 0.231 83 S C 1.930 176.465 174.600 -0.109 0.000 0.996 83 S CA 1.293 59.425 58.200 -0.114 0.000 0.942 83 S CB -0.275 62.885 63.200 -0.067 0.000 0.768 83 S HN 0.830 nan 8.310 nan 0.000 0.520 84 Q N 0.044 119.775 119.800 -0.115 0.000 2.339 84 Q HA 0.140 4.472 4.340 -0.015 0.000 0.205 84 Q C 0.555 176.514 176.000 -0.068 0.000 0.925 84 Q CA 0.519 56.266 55.803 -0.093 0.000 0.898 84 Q CB 0.125 28.802 28.738 -0.102 0.000 1.013 84 Q HN 0.748 nan 8.270 nan 0.000 0.504 96 Y N -0.325 120.048 120.300 0.120 0.000 2.635 96 Y HA 0.349 4.890 4.550 -0.014 0.000 0.373 96 Y C 1.214 177.252 175.900 0.230 0.000 1.000 96 Y CA 0.370 58.594 58.100 0.206 0.000 1.219 96 Y CB 1.284 40.001 38.460 0.429 0.000 1.294 96 Y HN 0.274 nan 8.280 nan 0.000 0.612 97 G N 0.443 109.380 108.800 0.229 0.000 2.168 97 G HA2 -0.328 3.623 3.960 -0.015 0.000 0.263 97 G HA3 -0.328 3.623 3.960 -0.015 0.000 0.263 97 G C 0.370 175.373 174.900 0.171 0.000 0.977 97 G CA 0.176 45.375 45.100 0.166 0.000 0.659 97 G HN 0.507 nan 8.290 nan 0.000 0.533 98 L N 1.707 123.075 121.223 0.242 0.000 2.912 98 L HA 0.454 4.785 4.340 -0.015 0.000 0.246 98 L C 1.778 178.755 176.870 0.178 0.000 1.371 98 L CA 0.242 55.229 54.840 0.244 0.000 1.196 98 L CB -0.634 41.623 42.059 0.330 0.000 1.596 98 L HN 0.327 nan 8.230 nan 0.000 0.429 99 G N -1.356 107.526 108.800 0.135 0.000 3.022 99 G HA2 -0.031 3.921 3.960 -0.015 0.000 0.157 99 G HA3 -0.031 3.921 3.960 -0.015 0.000 0.157 99 G C 0.474 175.463 174.900 0.149 0.000 1.468 99 G CA -0.202 44.979 45.100 0.134 0.000 1.058 99 G HN 0.132 nan 8.290 nan 0.000 0.581 100 Y N 0.494 120.809 120.300 0.024 0.000 2.053 100 Y HA -0.165 4.376 4.550 -0.014 0.000 0.277 100 Y C 2.757 178.677 175.900 0.034 0.000 1.159 100 Y CA 2.120 60.230 58.100 0.016 0.000 1.125 100 Y CB -0.401 38.055 38.460 -0.007 0.000 0.969 100 Y HN 0.121 nan 8.280 nan 0.000 0.492 101 L N -1.300 119.975 121.223 0.088 0.000 2.217 101 L HA -0.132 4.199 4.340 -0.015 0.000 0.211 101 L C 0.647 177.589 176.870 0.121 0.000 1.107 101 L CA 0.543 55.426 54.840 0.071 0.000 0.783 101 L CB -0.383 41.577 42.059 -0.166 0.000 0.919 101 L HN 0.250 nan 8.230 nan 0.000 0.442 102 C N 0.685 119.988 119.300 0.006 0.000 3.169 102 C HA 0.387 4.838 4.460 -0.015 0.000 0.232 102 C C -2.185 172.903 174.990 0.163 0.000 1.316 102 C CA -1.808 57.163 59.018 -0.078 0.000 1.545 102 C CB -0.625 26.890 27.740 -0.377 0.000 1.785 102 C HN 0.079 nan 8.230 nan 0.000 0.454 103 P HA 0.261 nan 4.420 nan 0.000 0.274 103 P C -0.165 177.272 177.300 0.228 0.000 1.231 103 P CA 0.409 63.603 63.100 0.157 0.000 0.790 103 P CB 0.984 32.713 31.700 0.049 0.000 0.951 104 A N 2.290 125.208 122.820 0.164 0.000 3.056 104 A HA 0.366 4.677 4.320 -0.015 0.000 0.274 104 A C 0.948 178.549 177.584 0.028 0.000 1.661 104 A CA -0.159 51.946 52.037 0.113 0.000 1.363 104 A CB -1.437 17.619 19.000 0.094 0.000 1.139 104 A HN 0.605 nan 8.150 nan 0.000 0.598 105 T N -0.473 114.083 114.554 0.002 0.000 2.824 105 T HA 0.449 4.790 4.350 -0.015 0.000 0.277 105 T C 0.104 174.776 174.700 -0.047 0.000 0.975 105 T CA -0.771 61.322 62.100 -0.012 0.000 0.966 105 T CB 0.650 69.524 68.868 0.009 0.000 1.054 105 T HN 0.599 nan 8.240 nan 0.000 0.533 106 E N 0.163 120.345 120.200 -0.029 0.000 2.316 106 E HA 0.380 4.721 4.350 -0.015 0.000 0.275 106 E C 1.063 177.599 176.600 -0.106 0.000 1.029 106 E CA -0.031 56.335 56.400 -0.057 0.000 0.871 106 E CB 0.318 30.000 29.700 -0.031 0.000 1.022 106 E HN 1.291 nan 8.360 nan 0.000 0.418 107 G N 2.596 111.270 108.800 -0.210 0.000 2.176 107 G HA2 -0.328 3.624 3.960 -0.015 0.000 0.253 107 G HA3 -0.328 3.624 3.960 -0.015 0.000 0.253 107 G C 0.615 175.078 174.900 -0.727 0.000 0.979 107 G CA 0.203 45.013 45.100 -0.484 0.000 0.641 107 G HN 0.545 nan 8.290 nan 0.000 0.530 108 I N 0.381 120.732 120.570 -0.364 0.000 2.226 108 I HA 0.086 4.247 4.170 -0.015 0.000 0.245 108 I C 2.225 178.209 176.117 -0.221 0.000 1.100 108 I CA 1.678 62.797 61.300 -0.301 0.000 1.374 108 I CB -0.587 37.138 38.000 -0.458 0.000 1.057 108 I HN 0.332 nan 8.210 nan 0.000 0.413 109 F N 1.412 121.204 119.950 -0.263 0.000 2.120 109 F HA -0.320 4.199 4.527 -0.014 0.000 0.300 109 F C 2.121 177.833 175.800 -0.147 0.000 1.095 109 F CA 2.241 60.136 58.000 -0.175 0.000 1.249 109 F CB -0.379 38.518 39.000 -0.172 0.000 0.995 109 F HN 0.171 nan 8.300 nan 0.000 0.480 110 D N -0.995 119.282 120.400 -0.205 0.000 2.123 110 D HA -0.156 4.475 4.640 -0.015 0.000 0.200 110 D C 2.151 178.360 176.300 -0.151 0.000 0.976 110 D CA 1.348 55.220 54.000 -0.214 0.000 0.831 110 D CB -0.660 40.017 40.800 -0.205 0.000 0.974 110 D HN 0.315 nan 8.370 nan 0.000 0.469 111 Y N 1.471 121.746 120.300 -0.041 0.000 2.224 111 Y HA -0.032 4.509 4.550 -0.015 0.000 0.289 111 Y C 2.456 178.323 175.900 -0.054 0.000 1.146 111 Y CA 0.359 58.455 58.100 -0.006 0.000 1.182 111 Y CB -1.194 37.303 38.460 0.062 0.000 0.983 111 Y HN -0.081 nan 8.280 nan 0.000 0.524 112 A N 0.316 123.157 122.820 0.034 0.000 1.855 112 A HA -0.065 4.246 4.320 -0.015 0.000 0.215 112 A C 2.564 180.035 177.584 -0.189 0.000 1.191 112 A CA 1.942 53.951 52.037 -0.047 0.000 0.613 112 A CB -1.312 17.704 19.000 0.025 0.000 0.829 112 A HN 0.375 nan 8.150 nan 0.000 0.442 113 A N 0.062 122.686 122.820 -0.327 0.000 1.903 113 A HA 0.000 4.312 4.320 -0.015 0.000 0.219 113 A C 2.550 180.058 177.584 -0.126 0.000 1.191 113 A CA 2.766 54.641 52.037 -0.271 0.000 0.638 113 A CB -1.257 17.522 19.000 -0.368 0.000 0.823 113 A HN 1.212 nan 8.150 nan 0.000 0.451 114 A N -0.458 122.332 122.820 -0.050 0.000 1.892 114 A HA -0.149 4.163 4.320 -0.015 0.000 0.218 114 A C 2.169 179.796 177.584 0.070 0.000 1.188 114 A CA 1.824 53.896 52.037 0.058 0.000 0.631 114 A CB -0.623 18.505 19.000 0.215 0.000 0.822 114 A HN 0.522 nan 8.150 nan 0.000 0.447 115 I N -0.627 119.952 120.570 0.014 0.000 2.286 115 I HA -0.104 4.057 4.170 -0.015 0.000 0.245 115 I C 2.692 178.706 176.117 -0.171 0.000 1.104 115 I CA 0.919 62.176 61.300 -0.071 0.000 1.397 115 I CB -0.512 37.209 38.000 -0.464 0.000 1.072 115 I HN 0.384 nan 8.210 nan 0.000 0.417 116 G N 0.491 109.185 108.800 -0.177 0.000 2.469 116 G HA2 -0.237 3.714 3.960 -0.015 0.000 0.219 116 G HA3 -0.237 3.714 3.960 -0.015 0.000 0.219 116 G C 1.726 176.575 174.900 -0.085 0.000 1.150 116 G CA 0.935 45.976 45.100 -0.098 0.000 0.763 116 G HN 0.502 nan 8.290 nan 0.000 0.561 117 G N 0.776 109.514 108.800 -0.104 0.000 2.421 117 G HA2 0.134 4.085 3.960 -0.015 0.000 0.217 117 G HA3 0.134 4.085 3.960 -0.015 0.000 0.217 117 G C 2.012 176.811 174.900 -0.169 0.000 1.143 117 G CA 1.371 46.403 45.100 -0.113 0.000 0.784 117 G HN 0.642 nan 8.290 nan 0.000 0.541 118 A N 0.360 123.029 122.820 -0.251 0.000 1.902 118 A HA -0.005 4.306 4.320 -0.015 0.000 0.217 118 A C 2.511 179.968 177.584 -0.213 0.000 1.181 118 A CA 2.401 54.221 52.037 -0.361 0.000 0.623 118 A CB -0.860 17.782 19.000 -0.598 0.000 0.818 118 A HN 0.275 nan 8.150 nan 0.000 0.443 119 T N 0.151 114.618 114.554 -0.144 0.000 2.737 119 T HA -0.038 4.303 4.350 -0.015 0.000 0.265 119 T C 1.799 176.459 174.700 -0.066 0.000 1.038 119 T CA 1.375 63.418 62.100 -0.095 0.000 1.144 119 T CB -0.371 68.458 68.868 -0.065 0.000 0.866 119 T HN 0.402 nan 8.240 nan 0.000 0.434 120 I N 1.100 121.636 120.570 -0.056 0.000 2.264 120 I HA -0.205 3.956 4.170 -0.015 0.000 0.248 120 I C 2.655 178.747 176.117 -0.042 0.000 1.111 120 I CA 1.137 62.419 61.300 -0.031 0.000 1.382 120 I CB -0.542 37.445 38.000 -0.021 0.000 1.060 120 I HN 0.264 nan 8.210 nan 0.000 0.418 121 T N 0.606 115.114 114.554 -0.077 0.000 2.708 121 T HA -0.139 4.202 4.350 -0.015 0.000 0.266 121 T C 2.059 176.719 174.700 -0.066 0.000 1.037 121 T CA 1.434 63.486 62.100 -0.080 0.000 1.146 121 T CB -0.273 68.519 68.868 -0.127 0.000 0.865 121 T HN 0.484 nan 8.240 nan 0.000 0.435 122 A N 1.450 124.220 122.820 -0.083 0.000 1.908 122 A HA 0.084 4.395 4.320 -0.015 0.000 0.218 122 A C 2.626 180.195 177.584 -0.026 0.000 1.181 122 A CA 1.954 53.950 52.037 -0.068 0.000 0.627 122 A CB -1.110 17.831 19.000 -0.099 0.000 0.818 122 A HN 0.512 nan 8.150 nan 0.000 0.445 123 A N -1.205 121.609 122.820 -0.011 0.000 1.877 123 A HA -0.218 4.093 4.320 -0.015 0.000 0.216 123 A C 2.151 179.765 177.584 0.049 0.000 1.186 123 A CA 2.172 54.229 52.037 0.034 0.000 0.620 123 A CB -0.580 18.444 19.000 0.040 0.000 0.822 123 A HN 0.486 nan 8.150 nan 0.000 0.443 124 Q N -0.106 119.706 119.800 0.019 0.000 2.077 124 Q HA -0.190 4.141 4.340 -0.015 0.000 0.206 124 Q C 2.114 178.126 176.000 0.020 0.000 0.989 124 Q CA 2.277 58.088 55.803 0.014 0.000 0.853 124 Q CB -1.204 27.532 28.738 -0.005 0.000 0.907 124 Q HN 0.692 nan 8.270 nan 0.000 0.418 125 C N -0.356 118.950 119.300 0.010 0.000 2.413 125 C HA -0.129 4.322 4.460 -0.015 0.000 0.277 125 C C 2.627 177.643 174.990 0.044 0.000 1.265 125 C CA 0.718 59.746 59.018 0.016 0.000 1.752 125 C CB -1.303 26.438 27.740 0.001 0.000 1.998 125 C HN 0.496 nan 8.230 nan 0.000 0.489 126 L N 0.083 121.347 121.223 0.068 0.000 2.093 126 L HA -0.108 4.223 4.340 -0.015 0.000 0.208 126 L C 2.493 179.491 176.870 0.214 0.000 1.085 126 L CA 1.269 56.188 54.840 0.131 0.000 0.755 126 L CB -0.460 41.680 42.059 0.135 0.000 0.904 126 L HN 0.360 nan 8.230 nan 0.000 0.435 127 I N 0.018 120.682 120.570 0.156 0.000 2.099 127 I HA -0.301 3.860 4.170 -0.015 0.000 0.239 127 I C 1.257 177.376 176.117 0.004 0.000 1.066 127 I CA 1.351 62.675 61.300 0.040 0.000 1.324 127 I CB -0.361 37.630 38.000 -0.016 0.000 1.037 127 I HN 0.268 nan 8.210 nan 0.000 0.401 128 D N 1.287 121.695 120.400 0.014 0.000 2.355 128 D HA 0.024 4.656 4.640 -0.015 0.000 0.253 128 D C 1.552 177.865 176.300 0.021 0.000 1.187 128 D CA 0.855 54.858 54.000 0.004 0.000 0.900 128 D CB -0.462 40.339 40.800 0.002 0.000 0.915 128 D HN 0.525 nan 8.370 nan 0.000 0.516 129 G N 1.368 110.196 108.800 0.047 0.000 2.243 129 G HA2 -0.445 3.506 3.960 -0.015 0.000 0.276 129 G HA3 -0.445 3.506 3.960 -0.015 0.000 0.276 129 G C 1.067 175.992 174.900 0.042 0.000 0.997 129 G CA 0.921 46.056 45.100 0.058 0.000 0.693 129 G HN 0.418 nan 8.290 nan 0.000 0.529 130 M N -0.566 119.054 119.600 0.034 0.000 2.192 130 M HA -0.072 4.399 4.480 -0.015 0.000 0.259 130 M C 1.446 177.762 176.300 0.027 0.000 1.071 130 M CA 2.365 57.681 55.300 0.026 0.000 1.082 130 M CB -0.285 32.327 32.600 0.021 0.000 1.373 130 M HN 1.021 nan 8.290 nan 0.000 0.408 131 C N -2.934 116.386 119.300 0.033 0.000 3.321 131 C HA 0.456 4.907 4.460 -0.015 0.000 0.329 131 C C 0.529 175.538 174.990 0.032 0.000 1.394 131 C CA -1.168 57.865 59.018 0.026 0.000 1.291 131 C CB 1.504 29.255 27.740 0.018 0.000 1.606 131 C HN 0.248 nan 8.230 nan 0.000 0.463 132 K N 0.287 120.698 120.400 0.019 0.000 2.354 132 K HA 0.310 4.621 4.320 -0.015 0.000 0.194 132 K C -0.052 176.540 176.600 -0.012 0.000 1.045 132 K CA 0.583 56.878 56.287 0.013 0.000 1.026 132 K CB 0.703 33.210 32.500 0.011 0.000 0.866 132 K HN 0.617 nan 8.250 nan 0.000 0.530 133 V N 1.060 120.962 119.914 -0.020 0.000 2.638 133 V HA 0.595 4.706 4.120 -0.015 0.000 0.306 133 V C -0.946 175.118 176.094 -0.050 0.000 1.052 133 V CA -1.165 61.108 62.300 -0.046 0.000 0.885 133 V CB 1.768 33.558 31.823 -0.055 0.000 0.999 133 V HN 0.124 nan 8.190 nan 0.000 0.424 134 A N 5.581 128.353 122.820 -0.079 0.000 2.374 134 A HA 0.922 5.233 4.320 -0.015 0.000 0.305 134 A C -1.043 176.434 177.584 -0.177 0.000 1.053 134 A CA -0.491 51.491 52.037 -0.091 0.000 0.726 134 A CB 1.154 20.116 19.000 -0.063 0.000 1.229 134 A HN 0.755 nan 8.150 nan 0.000 0.431 135 I N 2.310 122.753 120.570 -0.211 0.000 2.389 135 I HA 0.323 4.484 4.170 -0.015 0.000 0.288 135 I C -0.407 175.476 176.117 -0.390 0.000 0.999 135 I CA -0.626 60.426 61.300 -0.414 0.000 1.129 135 I CB 1.972 39.698 38.000 -0.457 0.000 1.288 135 I HN 0.634 nan 8.210 nan 0.000 0.444 136 N N 5.815 124.270 118.700 -0.408 0.000 2.746 136 N HA 0.220 4.951 4.740 -0.015 0.000 0.250 136 N C 0.237 175.626 175.510 -0.200 0.000 1.146 136 N CA -0.582 52.325 53.050 -0.239 0.000 0.828 136 N CB 0.455 38.856 38.487 -0.143 0.000 1.158 136 N HN 0.545 nan 8.380 nan 0.000 0.519 137 W N 1.494 122.712 121.300 -0.138 0.000 2.341 137 W HA -0.117 4.533 4.660 -0.016 0.000 0.283 137 W C 1.529 177.917 176.519 -0.219 0.000 1.215 137 W CA 0.360 57.523 57.345 -0.303 0.000 1.211 137 W CB 0.242 29.613 29.460 -0.147 0.000 1.131 137 W HN 0.412 nan 8.180 nan 0.000 0.552 138 S N -0.482 115.333 115.700 0.192 0.000 2.593 138 S HA 0.168 4.630 4.470 -0.015 0.000 0.217 138 S C 1.091 175.753 174.600 0.104 0.000 0.966 138 S CA 0.224 58.525 58.200 0.167 0.000 0.914 138 S CB -0.293 62.921 63.200 0.022 0.000 0.776 138 S HN 0.229 nan 8.310 nan 0.000 0.523 139 G N 0.107 108.931 108.800 0.039 0.000 2.510 139 G HA2 0.490 4.441 3.960 -0.015 0.000 0.280 139 G HA3 0.490 4.441 3.960 -0.015 0.000 0.280 139 G C 0.704 175.665 174.900 0.102 0.000 1.386 139 G CA -0.082 44.992 45.100 -0.043 0.000 1.047 139 G HN 0.676 nan 8.290 nan 0.000 0.527 140 G N -2.856 106.023 108.800 0.131 0.000 2.135 140 G HA2 -0.181 3.770 3.960 -0.015 0.000 0.183 140 G HA3 -0.181 3.770 3.960 -0.015 0.000 0.183 140 G C -0.047 175.055 174.900 0.336 0.000 1.004 140 G CA 0.014 45.234 45.100 0.200 0.000 0.677 140 G HN 0.486 nan 8.290 nan 0.000 0.512 141 W N 2.744 124.119 121.300 0.125 0.000 1.828 141 W HA 0.433 5.085 4.660 -0.014 0.000 0.470 141 W C 1.528 178.183 176.519 0.226 0.000 0.786 141 W CA -0.135 57.323 57.345 0.188 0.000 1.816 141 W CB -1.411 28.185 29.460 0.227 0.000 1.798 141 W HN 0.661 nan 8.180 nan 0.000 0.252 142 H N -2.016 117.138 119.070 0.140 0.000 2.539 142 H HA 0.058 4.605 4.556 -0.014 0.000 0.267 142 H C 1.178 176.465 175.328 -0.069 0.000 0.982 142 H CA 0.493 56.546 56.048 0.008 0.000 1.146 142 H CB 0.247 30.017 29.762 0.013 0.000 1.382 142 H HN 0.237 nan 8.280 nan 0.000 0.577 143 H N 1.251 120.449 119.070 0.212 0.000 2.520 143 H HA 0.322 4.869 4.556 -0.014 0.000 0.279 143 H C 1.226 176.611 175.328 0.095 0.000 0.990 143 H CA 0.455 56.524 56.048 0.036 0.000 1.288 143 H CB -0.014 29.789 29.762 0.069 0.000 1.446 143 H HN 0.452 nan 8.280 nan 0.000 0.538 144 A N 2.645 125.647 122.820 0.304 0.000 2.565 144 A HA 0.121 4.432 4.320 -0.015 0.000 0.237 144 A C 0.535 178.310 177.584 0.318 0.000 1.053 144 A CA 0.218 52.435 52.037 0.300 0.000 0.755 144 A CB 0.384 19.640 19.000 0.427 0.000 0.980 144 A HN 0.083 nan 8.150 nan 0.000 0.506 145 K N 1.050 121.576 120.400 0.210 0.000 2.245 145 K HA 0.240 4.552 4.320 -0.015 0.000 0.234 145 K C 1.239 177.809 176.600 -0.050 0.000 1.021 145 K CA -0.415 55.965 56.287 0.155 0.000 0.898 145 K CB 1.178 33.697 32.500 0.033 0.000 1.163 145 K HN 0.780 nan 8.250 nan 0.000 0.459 146 K N 0.119 120.247 120.400 -0.453 0.000 2.103 146 K HA -0.169 4.142 4.320 -0.015 0.000 0.207 146 K C 0.305 176.664 176.600 -0.401 0.000 1.048 146 K CA 2.174 57.866 56.287 -0.993 0.000 0.930 146 K CB -0.015 31.903 32.500 -0.970 0.000 0.716 146 K HN 0.538 nan 8.250 nan 0.000 0.444 147 D N 0.095 120.319 120.400 -0.294 0.000 2.650 147 D HA 0.082 4.714 4.640 -0.015 0.000 0.265 147 D C -0.766 175.399 176.300 -0.225 0.000 1.339 147 D CA -0.490 53.378 54.000 -0.219 0.000 0.816 147 D CB 0.145 40.952 40.800 0.013 0.000 1.091 147 D HN 0.545 nan 8.370 nan 0.000 0.483 148 E N 0.021 119.935 120.200 -0.477 0.000 2.388 148 E HA 0.523 4.864 4.350 -0.015 0.000 0.289 148 E C -1.540 174.965 176.600 -0.158 0.000 0.944 148 E CA -0.970 55.319 56.400 -0.186 0.000 0.792 148 E CB 1.546 31.262 29.700 0.028 0.000 1.239 148 E HN 0.034 nan 8.360 nan 0.000 0.412 149 A N 2.471 125.323 122.820 0.054 0.000 2.366 149 A HA 0.647 4.958 4.320 -0.015 0.000 0.249 149 A C -0.141 177.449 177.584 0.010 0.000 1.084 149 A CA 0.190 52.261 52.037 0.057 0.000 0.794 149 A CB 1.200 20.240 19.000 0.066 0.000 1.034 149 A HN 0.491 nan 8.150 nan 0.000 0.491 150 S N -0.745 114.934 115.700 -0.036 0.000 2.570 150 S HA 0.496 4.957 4.470 -0.015 0.000 0.286 150 S C 0.045 174.596 174.600 -0.082 0.000 1.143 150 S CA 0.585 58.784 58.200 -0.003 0.000 0.921 150 S CB 0.604 63.860 63.200 0.093 0.000 1.108 150 S HN 2.666 nan 8.310 nan 0.000 0.456 151 G N 3.320 111.928 108.800 -0.320 0.000 2.366 151 G HA2 -0.260 3.691 3.960 -0.015 0.000 0.299 151 G HA3 -0.260 3.691 3.960 -0.015 0.000 0.299 151 G C 0.508 175.098 174.900 -0.516 0.000 1.020 151 G CA 0.620 45.235 45.100 -0.808 0.000 1.026 151 G HN 1.529 nan 8.290 nan 0.000 0.512 152 F N -4.585 115.134 119.950 -0.386 0.000 2.699 152 F HA -0.288 4.230 4.527 -0.015 0.000 0.343 152 F C 1.179 176.593 175.800 -0.643 0.000 0.633 152 F CA 0.041 57.779 58.000 -0.436 0.000 1.365 152 F CB -1.936 36.884 39.000 -0.300 0.000 1.795 152 F HN 0.514 nan 8.300 nan 0.000 0.304 153 C N 1.097 120.189 119.300 -0.347 0.000 2.251 153 C HA 0.407 4.858 4.460 -0.015 0.000 0.323 153 C C 1.110 176.056 174.990 -0.073 0.000 1.241 153 C CA -0.330 58.546 59.018 -0.236 0.000 1.601 153 C CB -0.395 27.436 27.740 0.152 0.000 2.251 153 C HN 0.319 nan 8.230 nan 0.000 0.488 154 Y N 1.736 122.208 120.300 0.285 0.000 2.462 154 Y HA 0.447 4.988 4.550 -0.015 0.000 0.261 154 Y C 0.424 176.574 175.900 0.418 0.000 1.146 154 Y CA -0.089 58.249 58.100 0.398 0.000 1.283 154 Y CB 0.093 38.776 38.460 0.372 0.000 1.090 154 Y HN 0.529 nan 8.280 nan 0.000 0.526 155 L N 0.142 121.778 121.223 0.687 0.000 2.513 155 L HA 0.399 4.731 4.340 -0.015 0.000 0.261 155 L C -1.303 175.947 176.870 0.633 0.000 0.945 155 L CA -0.600 54.517 54.840 0.463 0.000 0.848 155 L CB 1.631 43.879 42.059 0.315 0.000 1.334 155 L HN -0.158 nan 8.230 nan 0.000 0.407 156 N N 3.141 122.320 118.700 0.798 0.000 2.602 156 N HA 0.094 4.826 4.740 -0.015 0.000 0.238 156 N C 0.254 175.918 175.510 0.258 0.000 1.084 156 N CA 0.039 53.361 53.050 0.452 0.000 0.952 156 N CB 0.745 39.392 38.487 0.267 0.000 1.244 156 N HN 0.803 nan 8.380 nan 0.000 0.512 157 D N 2.403 122.911 120.400 0.180 0.000 2.183 157 D HA -0.141 4.490 4.640 -0.015 0.000 0.203 157 D C 1.311 177.641 176.300 0.049 0.000 0.969 157 D CA 0.486 54.524 54.000 0.062 0.000 0.842 157 D CB -0.070 40.693 40.800 -0.061 0.000 0.957 157 D HN 0.377 nan 8.370 nan 0.000 0.484 158 A N 1.191 124.055 122.820 0.074 0.000 1.902 158 A HA -0.076 4.235 4.320 -0.015 0.000 0.217 158 A C 2.642 180.221 177.584 -0.009 0.000 1.181 158 A CA 1.501 53.579 52.037 0.068 0.000 0.623 158 A CB -0.847 18.233 19.000 0.134 0.000 0.818 158 A HN 0.191 nan 8.150 nan 0.000 0.443 159 V N 0.162 120.021 119.914 -0.093 0.000 2.307 159 V HA -0.249 3.862 4.120 -0.015 0.000 0.245 159 V C 2.568 178.636 176.094 -0.044 0.000 1.045 159 V CA 1.892 64.098 62.300 -0.157 0.000 1.024 159 V CB -0.761 30.577 31.823 -0.808 0.000 0.651 159 V HN 0.574 nan 8.190 nan 0.000 0.449 160 L N 0.313 121.526 121.223 -0.016 0.000 2.042 160 L HA -0.132 4.199 4.340 -0.015 0.000 0.210 160 L C 2.628 179.531 176.870 0.054 0.000 1.076 160 L CA 1.922 56.794 54.840 0.053 0.000 0.749 160 L CB -1.187 40.922 42.059 0.083 0.000 0.893 160 L HN 0.483 nan 8.230 nan 0.000 0.432 161 G N 0.100 108.925 108.800 0.040 0.000 2.402 161 G HA2 -0.183 3.769 3.960 -0.015 0.000 0.216 161 G HA3 -0.183 3.769 3.960 -0.015 0.000 0.216 161 G C 1.589 176.523 174.900 0.056 0.000 1.162 161 G CA 0.544 45.669 45.100 0.041 0.000 0.777 161 G HN 0.249 nan 8.290 nan 0.000 0.539 162 I N 0.569 121.168 120.570 0.048 0.000 2.118 162 I HA -0.213 3.948 4.170 -0.015 0.000 0.241 162 I C 2.741 178.894 176.117 0.061 0.000 1.070 162 I CA 0.941 62.248 61.300 0.012 0.000 1.327 162 I CB -0.258 37.661 38.000 -0.134 0.000 1.034 162 I HN 0.118 nan 8.210 nan 0.000 0.405 163 L N 0.050 121.352 121.223 0.132 0.000 2.079 163 L HA -0.239 4.092 4.340 -0.015 0.000 0.210 163 L C 2.736 179.667 176.870 0.101 0.000 1.081 163 L CA 1.172 56.101 54.840 0.149 0.000 0.752 163 L CB -0.573 41.581 42.059 0.159 0.000 0.896 163 L HN 0.247 nan 8.230 nan 0.000 0.433 164 R N 0.909 121.459 120.500 0.084 0.000 2.075 164 R HA -0.102 4.229 4.340 -0.015 0.000 0.232 164 R C 2.115 178.467 176.300 0.086 0.000 1.126 164 R CA 1.477 57.619 56.100 0.070 0.000 0.963 164 R CB -0.686 29.647 30.300 0.054 0.000 0.858 164 R HN 0.248 nan 8.270 nan 0.000 0.435 165 L N 0.395 121.691 121.223 0.120 0.000 2.191 165 L HA -0.096 4.235 4.340 -0.015 0.000 0.212 165 L C 2.245 179.240 176.870 0.209 0.000 1.103 165 L CA 0.983 55.955 54.840 0.220 0.000 0.769 165 L CB -0.359 41.838 42.059 0.230 0.000 0.908 165 L HN 0.158 nan 8.230 nan 0.000 0.438 166 R N 0.144 120.720 120.500 0.127 0.000 2.280 166 R HA -0.059 4.273 4.340 -0.015 0.000 0.207 166 R C 2.135 178.466 176.300 0.051 0.000 1.043 166 R CA 0.546 56.706 56.100 0.100 0.000 1.006 166 R CB -0.219 30.136 30.300 0.091 0.000 0.885 166 R HN 0.430 nan 8.270 nan 0.000 0.467 167 R N 0.242 120.759 120.500 0.028 0.000 2.148 167 R HA -0.134 4.198 4.340 -0.015 0.000 0.227 167 R C 2.027 178.276 176.300 -0.085 0.000 1.103 167 R CA 1.449 57.538 56.100 -0.017 0.000 0.983 167 R CB 0.055 30.344 30.300 -0.018 0.000 0.874 167 R HN 0.042 nan 8.270 nan 0.000 0.451 168 K N -0.841 119.463 120.400 -0.160 0.000 2.403 168 K HA 0.123 4.435 4.320 -0.015 0.000 0.199 168 K C -0.400 175.945 176.600 -0.426 0.000 1.199 168 K CA 0.156 56.204 56.287 -0.399 0.000 0.924 168 K CB 0.561 32.612 32.500 -0.748 0.000 1.137 168 K HN -0.136 nan 8.250 nan 0.000 0.510 169 F N 1.558 121.507 119.950 -0.001 0.000 2.443 169 F HA 0.259 4.778 4.527 -0.015 0.000 0.335 169 F C 1.212 177.003 175.800 -0.016 0.000 1.104 169 F CA -0.855 57.140 58.000 -0.009 0.000 1.013 169 F CB 1.928 40.928 39.000 0.001 0.000 1.136 169 F HN 0.078 nan 8.300 nan 0.000 0.470 170 E N 2.386 122.678 120.200 0.152 0.000 2.051 170 E HA 0.022 4.363 4.350 -0.015 0.000 0.189 170 E C 0.015 176.634 176.600 0.032 0.000 0.979 170 E CA 1.193 57.624 56.400 0.051 0.000 0.803 170 E CB 0.321 30.022 29.700 0.001 0.000 0.761 170 E HN 0.529 nan 8.360 nan 0.000 0.451 171 R N 0.552 121.047 120.500 -0.007 0.000 2.476 171 R HA 0.376 4.707 4.340 -0.015 0.000 0.305 171 R C -0.975 175.371 176.300 0.076 0.000 0.965 171 R CA -0.756 55.314 56.100 -0.050 0.000 0.867 171 R CB 1.620 31.609 30.300 -0.518 0.000 1.176 171 R HN 0.159 nan 8.270 nan 0.000 0.447 172 I N 4.353 125.053 120.570 0.218 0.000 2.377 172 I HA 0.272 4.433 4.170 -0.015 0.000 0.293 172 I C -0.321 175.974 176.117 0.297 0.000 0.987 172 I CA -1.041 60.364 61.300 0.174 0.000 1.185 172 I CB 1.302 39.321 38.000 0.032 0.000 1.341 172 I HN 0.413 nan 8.210 nan 0.000 0.455 173 L N 8.147 129.533 121.223 0.271 0.000 2.275 173 L HA 0.393 4.724 4.340 -0.015 0.000 0.288 173 L C -1.174 175.798 176.870 0.171 0.000 1.046 173 L CA -0.332 54.633 54.840 0.208 0.000 0.805 173 L CB 0.997 43.217 42.059 0.267 0.000 1.193 173 L HN 0.460 nan 8.230 nan 0.000 0.426 174 Y N 5.384 125.688 120.300 0.006 0.000 2.334 174 Y HA 0.667 5.209 4.550 -0.013 0.000 0.336 174 Y C -1.143 174.800 175.900 0.071 0.000 0.960 174 Y CA -0.748 57.366 58.100 0.022 0.000 1.164 174 Y CB 1.290 39.736 38.460 -0.022 0.000 1.155 174 Y HN 0.408 nan 8.280 nan 0.000 0.478 175 V N 6.191 125.864 119.914 -0.401 0.000 2.513 175 V HA 0.340 4.451 4.120 -0.015 0.000 0.299 175 V C -0.861 174.929 176.094 -0.507 0.000 1.035 175 V CA -0.766 61.370 62.300 -0.273 0.000 0.889 175 V CB 1.704 33.501 31.823 -0.042 0.000 0.988 175 V HN 0.743 nan 8.190 nan 0.000 0.440 176 D N 3.991 124.271 120.400 -0.199 0.000 2.542 176 D HA 0.381 5.013 4.640 -0.015 0.000 0.252 176 D C -0.074 176.332 176.300 0.176 0.000 1.222 176 D CA -0.299 53.675 54.000 -0.044 0.000 0.895 176 D CB 1.888 42.819 40.800 0.217 0.000 1.207 176 D HN 0.439 nan 8.370 nan 0.000 0.558 177 L N 2.383 123.722 121.223 0.192 0.000 2.769 177 L HA 0.205 4.536 4.340 -0.015 0.000 0.240 177 L C 1.156 178.225 176.870 0.332 0.000 1.163 177 L CA -0.406 54.618 54.840 0.308 0.000 0.962 177 L CB 0.196 42.439 42.059 0.308 0.000 1.258 177 L HN 0.333 nan 8.230 nan 0.000 0.513 178 D N 0.865 121.450 120.400 0.309 0.000 2.390 178 D HA -0.092 4.539 4.640 -0.015 0.000 0.236 178 D C 1.154 177.656 176.300 0.336 0.000 1.189 178 D CA -0.021 54.169 54.000 0.318 0.000 0.887 178 D CB 1.524 42.517 40.800 0.321 0.000 1.198 178 D HN -0.007 nan 8.370 nan 0.000 0.444 179 L N 3.249 124.586 121.223 0.190 0.000 2.189 179 L HA -0.160 4.172 4.340 -0.015 0.000 0.214 179 L C 0.327 177.230 176.870 0.054 0.000 1.097 179 L CA 1.833 56.615 54.840 -0.097 0.000 0.764 179 L CB -0.477 41.391 42.059 -0.320 0.000 0.900 179 L HN 0.409 nan 8.230 nan 0.000 0.436 180 H N -1.760 117.605 119.070 0.492 0.000 2.479 180 H HA 0.260 4.808 4.556 -0.015 0.000 0.335 180 H C -0.308 175.298 175.328 0.462 0.000 1.142 180 H CA -0.611 55.764 56.048 0.546 0.000 1.234 180 H CB 0.533 30.650 29.762 0.591 0.000 1.503 180 H HN 0.121 nan 8.280 nan 0.000 0.510 181 H N 1.774 120.975 119.070 0.218 0.000 3.070 181 H HA -0.025 4.522 4.556 -0.015 0.000 0.313 181 H C 0.558 175.815 175.328 -0.118 0.000 0.997 181 H CA -0.246 55.656 56.048 -0.243 0.000 1.438 181 H CB 0.497 29.938 29.762 -0.535 0.000 1.455 181 H HN 0.974 nan 8.280 nan 0.000 0.575 182 G N 4.911 113.571 108.800 -0.234 0.000 3.180 182 G HA2 -0.136 3.815 3.960 -0.015 0.000 0.252 182 G HA3 -0.136 3.815 3.960 -0.015 0.000 0.252 182 G C 1.015 175.552 174.900 -0.606 0.000 0.871 182 G CA 0.072 44.994 45.100 -0.297 0.000 1.979 182 G HN 0.842 nan 8.290 nan 0.000 0.624 183 D N 0.951 120.842 120.400 -0.848 0.000 2.123 183 D HA -0.150 4.481 4.640 -0.015 0.000 0.196 183 D C 2.252 178.405 176.300 -0.244 0.000 0.992 183 D CA 1.355 54.991 54.000 -0.606 0.000 0.833 183 D CB -0.870 39.743 40.800 -0.312 0.000 0.954 183 D HN 0.252 nan 8.370 nan 0.000 0.455 184 G N 0.633 109.340 108.800 -0.156 0.000 2.446 184 G HA2 -0.214 3.737 3.960 -0.015 0.000 0.217 184 G HA3 -0.214 3.737 3.960 -0.015 0.000 0.217 184 G C 1.896 176.727 174.900 -0.116 0.000 1.168 184 G CA 1.706 46.779 45.100 -0.046 0.000 0.771 184 G HN 0.338 nan 8.290 nan 0.000 0.551 185 V N 0.595 120.398 119.914 -0.185 0.000 2.323 185 V HA -0.119 3.992 4.120 -0.015 0.000 0.244 185 V C 2.505 178.543 176.094 -0.094 0.000 1.041 185 V CA 2.062 64.214 62.300 -0.248 0.000 1.025 185 V CB -0.529 30.925 31.823 -0.615 0.000 0.656 185 V HN 0.553 nan 8.190 nan 0.000 0.451 186 E N 0.382 120.526 120.200 -0.094 0.000 2.070 186 E HA -0.320 4.021 4.350 -0.015 0.000 0.197 186 E C 1.850 178.440 176.600 -0.017 0.000 1.004 186 E CA 1.990 58.387 56.400 -0.006 0.000 0.805 186 E CB -0.105 29.596 29.700 0.001 0.000 0.744 186 E HN 0.598 nan 8.360 nan 0.000 0.451 187 D N -0.142 120.224 120.400 -0.058 0.000 2.117 187 D HA -0.101 4.530 4.640 -0.015 0.000 0.198 187 D C 1.824 178.090 176.300 -0.056 0.000 0.982 187 D CA 1.283 55.254 54.000 -0.048 0.000 0.828 187 D CB -0.396 40.398 40.800 -0.011 0.000 0.967 187 D HN 0.311 nan 8.370 nan 0.000 0.464 188 A N -0.004 122.727 122.820 -0.149 0.000 1.940 188 A HA -0.149 4.162 4.320 -0.015 0.000 0.219 188 A C 1.506 178.754 177.584 -0.561 0.000 1.176 188 A CA 1.079 52.889 52.037 -0.379 0.000 0.631 188 A CB -0.699 17.747 19.000 -0.923 0.000 0.814 188 A HN 0.243 nan 8.150 nan 0.000 0.446 189 F N -1.091 118.833 119.950 -0.043 0.000 2.647 189 F HA 0.218 4.737 4.527 -0.012 0.000 0.300 189 F C 2.111 177.896 175.800 -0.026 0.000 1.106 189 F CA 0.374 58.364 58.000 -0.017 0.000 1.313 189 F CB 0.263 39.234 39.000 -0.049 0.000 1.007 189 F HN 0.187 nan 8.300 nan 0.000 0.536 190 S N 0.098 115.793 115.700 -0.009 0.000 2.402 190 S HA -0.144 4.317 4.470 -0.015 0.000 0.229 190 S C 1.509 175.918 174.600 -0.318 0.000 1.021 190 S CA 1.410 59.475 58.200 -0.224 0.000 0.974 190 S CB -0.298 62.620 63.200 -0.471 0.000 0.800 190 S HN 0.372 nan 8.310 nan 0.000 0.484 191 F N 1.213 121.186 119.950 0.038 0.000 2.693 191 F HA 0.362 4.880 4.527 -0.014 0.000 0.303 191 F C 1.049 176.857 175.800 0.013 0.000 1.097 191 F CA -0.092 57.918 58.000 0.017 0.000 1.330 191 F CB 0.117 39.120 39.000 0.003 0.000 1.067 191 F HN 0.086 nan 8.300 nan 0.000 0.565 192 T N -1.006 113.643 114.554 0.158 0.000 2.932 192 T HA 0.342 4.683 4.350 -0.015 0.000 0.289 192 T C 0.946 175.608 174.700 -0.064 0.000 1.039 192 T CA -0.249 61.903 62.100 0.086 0.000 1.024 192 T CB 1.391 70.362 68.868 0.172 0.000 1.090 192 T HN 0.070 nan 8.240 nan 0.000 0.496 193 S N 2.086 117.659 115.700 -0.212 0.000 2.539 193 S HA 0.232 4.693 4.470 -0.015 0.000 0.221 193 S C 1.233 175.799 174.600 -0.056 0.000 0.987 193 S CA -0.476 57.362 58.200 -0.602 0.000 0.929 193 S CB 0.069 62.761 63.200 -0.847 0.000 0.832 193 S HN 0.599 nan 8.310 nan 0.000 0.492 194 K N 1.224 121.661 120.400 0.063 0.000 2.418 194 K HA 0.304 4.615 4.320 -0.015 0.000 0.195 194 K C -0.110 176.633 176.600 0.239 0.000 1.035 194 K CA 0.304 56.683 56.287 0.153 0.000 1.003 194 K CB 0.349 32.907 32.500 0.098 0.000 0.793 194 K HN 0.332 nan 8.250 nan 0.000 0.494 195 V N 1.870 121.877 119.914 0.155 0.000 2.612 195 V HA 0.330 4.441 4.120 -0.015 0.000 0.301 195 V C -0.819 175.231 176.094 -0.073 0.000 1.059 195 V CA -0.728 61.562 62.300 -0.016 0.000 0.886 195 V CB 2.162 33.677 31.823 -0.513 0.000 1.007 195 V HN 0.094 nan 8.190 nan 0.000 0.426 196 M N 4.724 124.144 119.600 -0.300 0.000 2.336 196 M HA 0.669 5.141 4.480 -0.015 0.000 0.342 196 M C -0.189 176.030 176.300 -0.134 0.000 1.128 196 M CA -0.179 54.890 55.300 -0.385 0.000 1.016 196 M CB 1.906 33.862 32.600 -1.073 0.000 1.665 196 M HN 0.830 nan 8.290 nan 0.000 0.445 197 T N 2.115 116.668 114.554 -0.002 0.000 2.779 197 T HA 0.689 5.030 4.350 -0.015 0.000 0.280 197 T C -0.811 173.974 174.700 0.142 0.000 0.987 197 T CA -0.769 61.427 62.100 0.160 0.000 0.966 197 T CB 1.195 70.179 68.868 0.192 0.000 0.933 197 T HN 0.436 nan 8.240 nan 0.000 0.442 198 V N 2.954 122.973 119.914 0.175 0.000 2.444 198 V HA 0.719 4.831 4.120 -0.015 0.000 0.294 198 V C -0.018 176.196 176.094 0.200 0.000 1.022 198 V CA -0.743 61.640 62.300 0.139 0.000 0.850 198 V CB 1.475 33.350 31.823 0.087 0.000 0.992 198 V HN 1.076 nan 8.190 nan 0.000 0.426 199 S N 5.345 121.207 115.700 0.270 0.000 2.532 199 S HA 0.817 5.279 4.470 -0.015 0.000 0.299 199 S C -1.189 173.615 174.600 0.341 0.000 1.105 199 S CA -0.473 57.965 58.200 0.398 0.000 1.018 199 S CB 1.143 64.691 63.200 0.580 0.000 1.021 199 S HN 0.457 nan 8.310 nan 0.000 0.483 200 L N 6.987 128.374 121.223 0.274 0.000 2.307 200 L HA 0.682 5.013 4.340 -0.015 0.000 0.284 200 L C 0.175 177.213 176.870 0.279 0.000 1.023 200 L CA -0.121 54.768 54.840 0.082 0.000 0.810 200 L CB 1.389 43.464 42.059 0.027 0.000 1.231 200 L HN 0.813 nan 8.230 nan 0.000 0.423 201 H N 0.962 120.243 119.070 0.351 0.000 3.003 201 H HA 0.313 4.860 4.556 -0.015 0.000 0.327 201 H C -1.223 174.345 175.328 0.401 0.000 1.353 201 H CA -1.161 55.118 56.048 0.386 0.000 1.142 201 H CB 1.302 31.292 29.762 0.380 0.000 1.864 201 H HN 0.428 nan 8.280 nan 0.000 0.529 202 K N 1.095 121.659 120.400 0.273 0.000 2.412 202 K HA 0.245 4.556 4.320 -0.015 0.000 0.281 202 K C -1.456 175.337 176.600 0.321 0.000 1.027 202 K CA -0.165 56.160 56.287 0.063 0.000 0.989 202 K CB 0.327 32.373 32.500 -0.758 0.000 0.935 202 K HN 0.449 nan 8.250 nan 0.000 0.475 203 F N 3.630 123.646 119.950 0.110 0.000 2.577 203 F HA 0.333 4.851 4.527 -0.015 0.000 0.344 203 F C -1.072 174.768 175.800 0.066 0.000 1.145 203 F CA -0.207 57.887 58.000 0.157 0.000 0.996 203 F CB 1.616 40.699 39.000 0.139 0.000 1.248 203 F HN 0.501 nan 8.300 nan 0.000 0.447 204 S N 5.999 121.467 115.700 -0.387 0.000 2.537 204 S HA 0.596 5.057 4.470 -0.015 0.000 0.271 204 S C -3.017 171.439 174.600 -0.239 0.000 1.148 204 S CA -1.253 56.806 58.200 -0.235 0.000 0.868 204 S CB 1.744 64.865 63.200 -0.130 0.000 1.115 204 S HN 0.340 nan 8.310 nan 0.000 0.461 205 P HA 0.339 nan 4.420 nan 0.000 0.263 205 P C 0.824 178.105 177.300 -0.032 0.000 1.195 205 P CA 1.207 64.237 63.100 -0.116 0.000 0.762 205 P CB 0.371 32.030 31.700 -0.068 0.000 0.799 206 G N 2.226 111.010 108.800 -0.027 0.000 2.217 206 G HA2 -0.266 3.685 3.960 -0.015 0.000 0.246 206 G HA3 -0.266 3.685 3.960 -0.015 0.000 0.246 206 G C -0.133 174.812 174.900 0.075 0.000 0.990 206 G CA -0.481 44.631 45.100 0.020 0.000 0.627 206 G HN 0.523 nan 8.290 nan 0.000 0.522 207 F N 2.013 121.925 119.950 -0.063 0.000 2.405 207 F HA 0.708 5.226 4.527 -0.015 0.000 0.355 207 F C 0.462 176.290 175.800 0.047 0.000 1.121 207 F CA -1.932 56.072 58.000 0.007 0.000 1.112 207 F CB 0.416 39.408 39.000 -0.013 0.000 1.126 207 F HN 0.131 nan 8.300 nan 0.000 0.481 208 F N 9.082 128.628 119.950 -0.674 0.000 2.602 208 F HA 0.212 4.730 4.527 -0.015 0.000 0.367 208 F C -1.391 174.258 175.800 -0.253 0.000 1.126 208 F CA -1.348 56.369 58.000 -0.472 0.000 1.321 208 F CB 0.763 39.401 39.000 -0.604 0.000 1.094 208 F HN 0.416 nan 8.300 nan 0.000 0.594 209 P HA 0.183 nan 4.420 nan 0.000 0.255 209 P C 0.666 177.661 177.300 -0.510 0.000 1.248 209 P CA 1.184 63.456 63.100 -1.380 0.000 0.807 209 P CB 0.588 31.492 31.700 -1.326 0.000 1.150 210 G N -0.139 108.530 108.800 -0.218 0.000 2.213 210 G HA2 -0.198 3.754 3.960 -0.015 0.000 0.226 210 G HA3 -0.198 3.754 3.960 -0.015 0.000 0.226 210 G C 0.383 175.313 174.900 0.051 0.000 0.992 210 G CA 0.349 45.379 45.100 -0.117 0.000 0.632 210 G HN 0.570 nan 8.290 nan 0.000 0.511 211 T N -2.096 112.508 114.554 0.083 0.000 2.923 211 T HA 0.685 5.027 4.350 -0.015 0.000 0.281 211 T C 1.238 175.817 174.700 -0.201 0.000 0.995 211 T CA 0.374 62.528 62.100 0.088 0.000 0.985 211 T CB 1.838 70.766 68.868 0.100 0.000 1.114 211 T HN 2.113 nan 8.240 nan 0.000 0.548 212 G N 0.574 109.083 108.800 -0.485 0.000 2.270 212 G HA2 -0.121 3.830 3.960 -0.015 0.000 0.224 212 G HA3 -0.121 3.830 3.960 -0.015 0.000 0.224 212 G C -0.355 174.221 174.900 -0.540 0.000 1.079 212 G CA -0.121 44.502 45.100 -0.794 0.000 0.807 212 G HN 1.026 nan 8.290 nan 0.000 0.492 213 D N -0.748 119.173 120.400 -0.799 0.000 2.358 213 D HA 0.337 4.969 4.640 -0.015 0.000 0.244 213 D C 1.640 177.586 176.300 -0.590 0.000 1.163 213 D CA 0.157 53.481 54.000 -1.127 0.000 0.945 213 D CB 1.593 41.847 40.800 -0.909 0.000 1.152 213 D HN 0.372 nan 8.370 nan 0.000 0.451 214 V N 1.896 121.467 119.914 -0.572 0.000 2.759 214 V HA -0.177 3.934 4.120 -0.015 0.000 0.256 214 V C 1.837 177.624 176.094 -0.511 0.000 1.080 214 V CA 2.647 64.644 62.300 -0.506 0.000 1.101 214 V CB -0.530 30.946 31.823 -0.578 0.000 0.698 214 V HN 0.625 nan 8.190 nan 0.000 0.477 215 S N -0.729 114.687 115.700 -0.474 0.000 2.561 215 S HA -0.035 4.427 4.470 -0.015 0.000 0.225 215 S C 0.885 175.420 174.600 -0.107 0.000 0.977 215 S CA 0.374 58.442 58.200 -0.220 0.000 0.926 215 S CB -0.420 62.712 63.200 -0.113 0.000 0.769 215 S HN 0.702 nan 8.310 nan 0.000 0.533 216 D N 2.448 122.752 120.400 -0.159 0.000 2.346 216 D HA 0.173 4.805 4.640 -0.015 0.000 0.260 216 D C 0.749 177.012 176.300 -0.062 0.000 1.252 216 D CA 0.002 53.938 54.000 -0.106 0.000 0.895 216 D CB 1.222 41.944 40.800 -0.131 0.000 1.097 216 D HN 0.205 nan 8.370 nan 0.000 0.489 217 V N 1.431 121.310 119.914 -0.058 0.000 3.330 217 V HA 0.587 4.698 4.120 -0.015 0.000 0.309 217 V C 0.899 176.950 176.094 -0.071 0.000 1.481 217 V CA 0.372 62.647 62.300 -0.041 0.000 1.068 217 V CB -0.262 31.532 31.823 -0.048 0.000 0.935 217 V HN 0.766 nan 8.190 nan 0.000 0.453 218 G N 0.802 109.545 108.800 -0.095 0.000 2.698 218 G HA2 -0.072 3.879 3.960 -0.015 0.000 0.225 218 G HA3 -0.072 3.879 3.960 -0.015 0.000 0.225 218 G C -1.121 173.656 174.900 -0.205 0.000 1.345 218 G CA -0.145 44.867 45.100 -0.147 0.000 0.871 218 G HN 0.707 nan 8.290 nan 0.000 0.540 219 L N 0.084 121.149 121.223 -0.264 0.000 2.466 219 L HA 0.664 4.995 4.340 -0.015 0.000 0.258 219 L C 1.282 178.124 176.870 -0.047 0.000 0.973 219 L CA 0.072 54.780 54.840 -0.221 0.000 0.826 219 L CB 1.745 43.562 42.059 -0.404 0.000 1.372 219 L HN 2.570 nan 8.230 nan 0.000 0.409 220 G N 1.472 110.314 108.800 0.069 0.000 2.611 220 G HA2 -0.394 3.557 3.960 -0.015 0.000 0.301 220 G HA3 -0.394 3.557 3.960 -0.015 0.000 0.301 220 G C 0.662 175.616 174.900 0.089 0.000 1.233 220 G CA 0.836 46.022 45.100 0.143 0.000 0.993 220 G HN 0.698 nan 8.290 nan 0.000 0.553 221 K N 1.060 121.529 120.400 0.115 0.000 2.360 221 K HA 0.095 4.406 4.320 -0.015 0.000 0.201 221 K C 2.437 179.038 176.600 0.002 0.000 1.046 221 K CA 1.543 57.862 56.287 0.054 0.000 0.945 221 K CB -0.525 32.002 32.500 0.045 0.000 0.750 221 K HN 0.637 nan 8.250 nan 0.000 0.464 222 G N 0.014 108.835 108.800 0.035 0.000 3.042 222 G HA2 -0.070 3.881 3.960 -0.015 0.000 0.212 222 G HA3 -0.070 3.881 3.960 -0.015 0.000 0.212 222 G C 0.034 174.996 174.900 0.104 0.000 1.166 222 G CA -0.434 44.678 45.100 0.019 0.000 0.767 222 G HN 0.130 nan 8.290 nan 0.000 0.546 223 R N -0.278 120.242 120.500 0.033 0.000 2.484 223 R HA 0.162 4.493 4.340 -0.015 0.000 0.293 223 R C 0.003 176.297 176.300 -0.009 0.000 1.023 223 R CA 0.216 56.219 56.100 -0.162 0.000 1.037 223 R CB -0.193 29.888 30.300 -0.364 0.000 0.951 223 R HN 0.480 nan 8.270 nan 0.000 0.418 224 Y N 0.828 121.183 120.300 0.091 0.000 4.936 224 Y HA -0.343 4.198 4.550 -0.015 0.000 0.266 224 Y C -0.021 175.807 175.900 -0.120 0.000 0.909 224 Y CA 0.569 58.666 58.100 -0.005 0.000 1.828 224 Y CB -1.638 36.801 38.460 -0.034 0.000 1.283 224 Y HN 0.669 nan 8.280 nan 0.000 0.511 225 Y N 0.163 120.504 120.300 0.068 0.000 2.524 225 Y HA 0.447 4.988 4.550 -0.015 0.000 0.266 225 Y C 0.577 176.444 175.900 -0.056 0.000 1.180 225 Y CA 0.134 58.221 58.100 -0.020 0.000 1.244 225 Y CB 0.969 39.426 38.460 -0.005 0.000 1.125 225 Y HN -0.088 nan 8.280 nan 0.000 0.524 226 S N 0.160 115.907 115.700 0.078 0.000 2.482 226 S HA 0.702 5.163 4.470 -0.015 0.000 0.303 226 S C -0.691 173.934 174.600 0.042 0.000 1.091 226 S CA -0.680 57.552 58.200 0.053 0.000 1.057 226 S CB 2.066 65.294 63.200 0.047 0.000 1.031 226 S HN -0.143 nan 8.310 nan 0.000 0.485 227 V N 3.844 123.790 119.914 0.053 0.000 2.656 227 V HA 0.573 4.684 4.120 -0.015 0.000 0.307 227 V C -0.714 175.425 176.094 0.076 0.000 1.051 227 V CA -0.855 61.469 62.300 0.042 0.000 0.893 227 V CB 2.028 33.862 31.823 0.019 0.000 0.999 227 V HN 0.827 nan 8.190 nan 0.000 0.426 228 N N 2.415 121.130 118.700 0.024 0.000 2.371 228 N HA 0.496 5.227 4.740 -0.015 0.000 0.291 228 N C -1.327 174.112 175.510 -0.119 0.000 1.053 228 N CA -0.336 52.739 53.050 0.043 0.000 0.870 228 N CB 2.688 41.195 38.487 0.033 0.000 1.503 228 N HN 0.375 nan 8.380 nan 0.000 0.485 229 V N 3.233 123.029 119.914 -0.197 0.000 2.311 229 V HA 0.354 4.465 4.120 -0.015 0.000 0.275 229 V C -2.133 173.684 176.094 -0.462 0.000 1.022 229 V CA -1.607 60.520 62.300 -0.289 0.000 0.830 229 V CB 1.242 32.926 31.823 -0.231 0.000 1.012 229 V HN 0.476 nan 8.190 nan 0.000 0.452 230 P HA 0.501 nan 4.420 nan 0.000 0.287 230 P C -0.754 176.497 177.300 -0.082 0.000 1.281 230 P CA -0.049 62.919 63.100 -0.220 0.000 0.781 230 P CB 1.421 32.980 31.700 -0.235 0.000 0.903 231 I N 2.727 123.322 120.570 0.041 0.000 2.689 231 I HA 0.307 4.468 4.170 -0.015 0.000 0.299 231 I C 0.389 176.607 176.117 0.169 0.000 1.059 231 I CA -0.952 60.375 61.300 0.045 0.000 1.055 231 I CB 2.273 40.248 38.000 -0.043 0.000 1.243 231 I HN 0.149 nan 8.210 nan 0.000 0.425 232 Q N 2.407 122.254 119.800 0.078 0.000 2.169 232 Q HA 0.346 4.678 4.340 -0.015 0.000 0.234 232 Q C -1.017 175.072 176.000 0.148 0.000 0.980 232 Q CA -0.841 55.021 55.803 0.098 0.000 0.941 232 Q CB 0.791 29.550 28.738 0.034 0.000 1.199 232 Q HN 0.395 nan 8.270 nan 0.000 0.496 233 D N -0.088 120.382 120.400 0.118 0.000 2.478 233 D HA 0.201 4.833 4.640 -0.015 0.000 0.234 233 D C 0.941 177.297 176.300 0.093 0.000 1.154 233 D CA 1.744 55.831 54.000 0.145 0.000 0.874 233 D CB 0.314 41.146 40.800 0.053 0.000 1.198 233 D HN 0.732 nan 8.370 nan 0.000 0.455 234 G N 1.309 110.182 108.800 0.122 0.000 2.143 234 G HA2 -0.309 3.642 3.960 -0.015 0.000 0.249 234 G HA3 -0.309 3.642 3.960 -0.015 0.000 0.249 234 G C 0.521 175.394 174.900 -0.044 0.000 0.981 234 G CA 0.075 45.196 45.100 0.035 0.000 0.665 234 G HN 0.552 nan 8.290 nan 0.000 0.528 235 I N 1.087 121.557 120.570 -0.167 0.000 2.775 235 I HA 0.356 4.517 4.170 -0.015 0.000 0.290 235 I C 0.668 176.701 176.117 -0.140 0.000 1.203 235 I CA 0.703 61.866 61.300 -0.229 0.000 1.433 235 I CB 0.501 38.223 38.000 -0.463 0.000 1.354 235 I HN 0.399 nan 8.210 nan 0.000 0.579 236 Q N 4.557 124.315 119.800 -0.070 0.000 2.418 236 Q HA 0.246 4.577 4.340 -0.015 0.000 0.276 236 Q C 0.340 176.336 176.000 -0.007 0.000 1.081 236 Q CA -0.885 54.890 55.803 -0.046 0.000 0.864 236 Q CB 1.125 29.845 28.738 -0.030 0.000 1.384 236 Q HN 0.572 nan 8.270 nan 0.000 0.467 237 D N 0.965 121.355 120.400 -0.017 0.000 2.149 237 D HA -0.232 4.400 4.640 -0.015 0.000 0.194 237 D C 1.398 177.759 176.300 0.102 0.000 1.001 237 D CA 1.599 55.609 54.000 0.018 0.000 0.849 237 D CB 0.245 41.034 40.800 -0.018 0.000 0.939 237 D HN 0.577 nan 8.370 nan 0.000 0.449 238 E N 0.547 120.788 120.200 0.067 0.000 2.015 238 E HA -0.155 4.186 4.350 -0.015 0.000 0.191 238 E C 2.039 178.698 176.600 0.100 0.000 0.991 238 E CA 0.805 57.257 56.400 0.085 0.000 0.802 238 E CB 0.110 29.836 29.700 0.044 0.000 0.759 238 E HN 0.045 nan 8.360 nan 0.000 0.447 239 K N -0.521 119.911 120.400 0.055 0.000 2.097 239 K HA -0.204 4.108 4.320 -0.015 0.000 0.206 239 K C 2.153 178.762 176.600 0.015 0.000 1.049 239 K CA 1.245 57.540 56.287 0.014 0.000 0.933 239 K CB -0.251 32.238 32.500 -0.018 0.000 0.717 239 K HN 0.182 nan 8.250 nan 0.000 0.442 240 Y N 0.086 120.345 120.300 -0.067 0.000 2.145 240 Y HA -0.317 4.223 4.550 -0.016 0.000 0.286 240 Y C 2.108 177.994 175.900 -0.023 0.000 1.145 240 Y CA 2.102 60.157 58.100 -0.075 0.000 1.148 240 Y CB -0.422 37.995 38.460 -0.073 0.000 0.981 240 Y HN 0.189 nan 8.280 nan 0.000 0.507 241 Y N 0.670 121.064 120.300 0.156 0.000 2.293 241 Y HA -0.258 4.283 4.550 -0.016 0.000 0.291 241 Y C 2.343 178.204 175.900 -0.064 0.000 1.137 241 Y CA 1.783 59.920 58.100 0.062 0.000 1.202 241 Y CB -0.225 38.269 38.460 0.056 0.000 0.990 241 Y HN 0.237 nan 8.280 nan 0.000 0.537 242 Q N 0.277 119.995 119.800 -0.137 0.000 2.020 242 Q HA -0.214 4.117 4.340 -0.015 0.000 0.202 242 Q C 2.269 178.095 176.000 -0.291 0.000 0.982 242 Q CA 2.250 57.923 55.803 -0.216 0.000 0.838 242 Q CB -0.314 28.373 28.738 -0.084 0.000 0.899 242 Q HN 0.559 nan 8.270 nan 0.000 0.423 243 I N 0.465 120.877 120.570 -0.263 0.000 2.091 243 I HA -0.398 3.764 4.170 -0.015 0.000 0.239 243 I C 2.813 178.718 176.117 -0.353 0.000 1.061 243 I CA 1.203 62.323 61.300 -0.299 0.000 1.317 243 I CB -0.539 37.245 38.000 -0.360 0.000 1.031 243 I HN 0.378 nan 8.210 nan 0.000 0.401 244 C N 0.759 119.801 119.300 -0.429 0.000 2.413 244 C HA -0.201 4.250 4.460 -0.015 0.000 0.276 244 C C 2.878 177.595 174.990 -0.455 0.000 1.248 244 C CA 1.559 60.350 59.018 -0.378 0.000 1.742 244 C CB -1.074 26.511 27.740 -0.259 0.000 2.017 244 C HN 0.527 nan 8.230 nan 0.000 0.481 245 E N -0.147 119.613 120.200 -0.734 0.000 2.051 245 E HA -0.190 4.151 4.350 -0.015 0.000 0.192 245 E C 2.320 178.603 176.600 -0.529 0.000 0.991 245 E CA 1.411 57.260 56.400 -0.920 0.000 0.799 245 E CB -0.351 28.648 29.700 -1.169 0.000 0.748 245 E HN 0.679 nan 8.360 nan 0.000 0.449 246 S N -0.285 115.195 115.700 -0.367 0.000 2.387 246 S HA -0.135 4.326 4.470 -0.015 0.000 0.230 246 S C 2.014 176.534 174.600 -0.134 0.000 1.035 246 S CA 1.481 59.559 58.200 -0.203 0.000 1.014 246 S CB -0.131 62.968 63.200 -0.168 0.000 0.836 246 S HN 0.177 nan 8.310 nan 0.000 0.466 247 V N 1.598 121.424 119.914 -0.147 0.000 2.379 247 V HA 0.029 4.140 4.120 -0.015 0.000 0.243 247 V C 2.432 178.536 176.094 0.017 0.000 1.035 247 V CA 1.436 63.696 62.300 -0.066 0.000 1.035 247 V CB -0.594 31.180 31.823 -0.082 0.000 0.673 247 V HN 0.465 nan 8.190 nan 0.000 0.457 248 L N -0.008 121.232 121.223 0.027 0.000 2.083 248 L HA -0.189 4.142 4.340 -0.015 0.000 0.209 248 L C 2.580 179.718 176.870 0.447 0.000 1.083 248 L CA 1.678 56.685 54.840 0.278 0.000 0.752 248 L CB -0.623 41.623 42.059 0.312 0.000 0.899 248 L HN 0.343 nan 8.230 nan 0.000 0.433 249 K N 0.741 121.305 120.400 0.274 0.000 2.009 249 K HA -0.235 4.076 4.320 -0.015 0.000 0.210 249 K C 1.919 178.668 176.600 0.248 0.000 1.049 249 K CA 1.843 58.337 56.287 0.345 0.000 0.929 249 K CB 0.044 32.649 32.500 0.175 0.000 0.714 249 K HN 0.292 nan 8.250 nan 0.000 0.440 250 E N -0.046 120.234 120.200 0.132 0.000 2.077 250 E HA -0.159 4.182 4.350 -0.015 0.000 0.193 250 E C 1.971 178.615 176.600 0.073 0.000 0.989 250 E CA 1.348 57.793 56.400 0.076 0.000 0.800 250 E CB 0.034 29.749 29.700 0.026 0.000 0.746 250 E HN 0.064 nan 8.360 nan 0.000 0.452 251 V N 0.540 120.515 119.914 0.101 0.000 2.343 251 V HA -0.276 3.836 4.120 -0.015 0.000 0.247 251 V C 1.963 178.096 176.094 0.066 0.000 1.051 251 V CA 1.852 64.198 62.300 0.078 0.000 1.036 251 V CB -0.499 31.391 31.823 0.111 0.000 0.654 251 V HN 0.333 nan 8.190 nan 0.000 0.451 252 Y N 0.847 121.122 120.300 -0.041 0.000 2.114 252 Y HA -0.279 4.265 4.550 -0.010 0.000 0.284 252 Y C 2.682 178.481 175.900 -0.168 0.000 1.143 252 Y CA 2.080 60.018 58.100 -0.270 0.000 1.135 252 Y CB -0.350 37.873 38.460 -0.396 0.000 0.980 252 Y HN 0.280 nan 8.280 nan 0.000 0.499 253 Q N -0.495 119.261 119.800 -0.073 0.000 2.061 253 Q HA -0.214 4.117 4.340 -0.015 0.000 0.204 253 Q C 2.485 178.401 176.000 -0.140 0.000 0.984 253 Q CA 1.692 57.435 55.803 -0.101 0.000 0.846 253 Q CB -0.393 28.358 28.738 0.022 0.000 0.902 253 Q HN 0.606 nan 8.270 nan 0.000 0.421 254 A N -0.025 122.748 122.820 -0.078 0.000 1.854 254 A HA -0.147 4.164 4.320 -0.015 0.000 0.214 254 A C 1.751 179.322 177.584 -0.022 0.000 1.192 254 A CA 1.125 53.131 52.037 -0.052 0.000 0.611 254 A CB -0.552 18.423 19.000 -0.042 0.000 0.832 254 A HN 0.452 nan 8.150 nan 0.000 0.442 255 F N 0.278 120.113 119.950 -0.192 0.000 2.530 255 F HA 0.164 4.682 4.527 -0.016 0.000 0.292 255 F C 0.822 176.501 175.800 -0.202 0.000 1.109 255 F CA 0.633 58.546 58.000 -0.144 0.000 1.450 255 F CB -0.054 38.881 39.000 -0.108 0.000 1.114 255 F HN 0.456 nan 8.300 nan 0.000 0.560 256 N N 1.723 120.161 118.700 -0.437 0.000 2.667 256 N HA -0.142 4.589 4.740 -0.015 0.000 0.263 256 N C -2.550 172.608 175.510 -0.587 0.000 1.038 256 N CA 0.134 52.808 53.050 -0.626 0.000 0.749 256 N CB -0.730 37.479 38.487 -0.463 0.000 0.892 256 N HN 0.111 nan 8.380 nan 0.000 0.546 257 P HA 0.026 nan 4.420 nan 0.000 0.268 257 P C 0.252 177.438 177.300 -0.189 0.000 1.205 257 P CA -0.051 62.886 63.100 -0.272 0.000 0.771 257 P CB 0.743 32.477 31.700 0.055 0.000 0.858 258 K N 0.714 121.034 120.400 -0.134 0.000 2.356 258 K HA 0.337 4.648 4.320 -0.015 0.000 0.195 258 K C 0.883 177.328 176.600 -0.259 0.000 1.037 258 K CA 0.318 56.563 56.287 -0.070 0.000 1.014 258 K CB 0.121 32.676 32.500 0.092 0.000 0.815 258 K HN 0.600 nan 8.250 nan 0.000 0.507 259 A N -0.019 122.648 122.820 -0.255 0.000 2.594 259 A HA 0.663 4.974 4.320 -0.015 0.000 0.291 259 A C -1.394 176.142 177.584 -0.079 0.000 1.105 259 A CA -0.635 51.174 52.037 -0.381 0.000 0.694 259 A CB 1.723 20.290 19.000 -0.722 0.000 1.291 259 A HN -0.146 nan 8.150 nan 0.000 0.410 260 V N 0.948 120.840 119.914 -0.037 0.000 2.483 260 V HA 0.479 4.590 4.120 -0.015 0.000 0.297 260 V C -0.625 175.486 176.094 0.027 0.000 1.027 260 V CA -0.564 61.780 62.300 0.074 0.000 0.855 260 V CB 1.503 33.428 31.823 0.170 0.000 0.995 260 V HN 0.702 nan 8.190 nan 0.000 0.424 261 V N 6.172 126.123 119.914 0.061 0.000 2.394 261 V HA 0.521 4.632 4.120 -0.015 0.000 0.282 261 V C -0.395 175.673 176.094 -0.042 0.000 1.031 261 V CA -0.484 61.853 62.300 0.063 0.000 0.881 261 V CB 1.545 33.492 31.823 0.208 0.000 0.982 261 V HN 0.635 nan 8.190 nan 0.000 0.451 262 L N 4.809 125.980 121.223 -0.087 0.000 2.381 262 L HA 0.579 4.911 4.340 -0.015 0.000 0.274 262 L C -0.611 176.182 176.870 -0.128 0.000 0.988 262 L CA -0.026 54.728 54.840 -0.144 0.000 0.824 262 L CB 1.803 43.817 42.059 -0.076 0.000 1.263 262 L HN 0.655 nan 8.230 nan 0.000 0.410 263 Q N 5.512 125.217 119.800 -0.158 0.000 2.341 263 Q HA 0.421 4.752 4.340 -0.015 0.000 0.268 263 Q C -1.325 174.706 176.000 0.052 0.000 1.013 263 Q CA -0.283 55.494 55.803 -0.044 0.000 0.798 263 Q CB 1.534 30.264 28.738 -0.013 0.000 1.253 263 Q HN 0.885 nan 8.270 nan 0.000 0.457 264 L N 3.178 124.475 121.223 0.123 0.000 3.168 264 L HA 0.372 4.704 4.340 -0.015 0.000 0.277 264 L C 0.905 178.026 176.870 0.417 0.000 1.308 264 L CA -0.681 54.311 54.840 0.253 0.000 0.976 264 L CB 0.965 43.208 42.059 0.306 0.000 1.383 264 L HN 0.639 nan 8.230 nan 0.000 0.572 265 G N 0.333 109.335 108.800 0.337 0.000 2.178 265 G HA2 0.148 4.100 3.960 -0.015 0.000 0.244 265 G HA3 0.148 4.100 3.960 -0.015 0.000 0.244 265 G C 0.852 175.952 174.900 0.334 0.000 1.213 265 G CA 0.352 45.690 45.100 0.397 0.000 0.912 265 G HN 0.503 nan 8.290 nan 0.000 0.474 266 A N 2.220 125.186 122.820 0.242 0.000 2.411 266 A HA 0.213 4.524 4.320 -0.015 0.000 0.251 266 A C 1.514 179.064 177.584 -0.058 0.000 1.317 266 A CA 0.655 52.681 52.037 -0.018 0.000 0.904 266 A CB 0.009 18.759 19.000 -0.418 0.000 0.993 266 A HN 0.646 nan 8.150 nan 0.000 0.504 267 D N -0.658 119.764 120.400 0.036 0.000 2.352 267 D HA -0.102 4.530 4.640 -0.015 0.000 0.232 267 D C 1.320 177.654 176.300 0.057 0.000 1.055 267 D CA 1.177 55.230 54.000 0.089 0.000 0.891 267 D CB -0.943 40.034 40.800 0.295 0.000 0.897 267 D HN 0.384 nan 8.370 nan 0.000 0.529 268 T N -2.165 112.423 114.554 0.057 0.000 3.043 268 T HA 0.081 4.423 4.350 -0.015 0.000 0.263 268 T C 1.063 175.811 174.700 0.080 0.000 1.094 268 T CA -0.277 61.881 62.100 0.098 0.000 1.127 268 T CB -0.049 68.924 68.868 0.174 0.000 0.905 268 T HN 0.001 nan 8.240 nan 0.000 0.490 269 I N 2.902 123.477 120.570 0.008 0.000 2.533 269 I HA 0.377 4.538 4.170 -0.015 0.000 0.284 269 I C 1.192 177.294 176.117 -0.024 0.000 1.109 269 I CA -1.221 60.058 61.300 -0.035 0.000 1.412 269 I CB -0.438 37.507 38.000 -0.092 0.000 1.396 269 I HN 0.304 nan 8.210 nan 0.000 0.543 270 A N 4.921 127.726 122.820 -0.025 0.000 2.603 270 A HA 0.300 4.611 4.320 -0.015 0.000 0.235 270 A C 1.394 178.956 177.584 -0.037 0.000 1.035 270 A CA 0.868 52.892 52.037 -0.022 0.000 0.755 270 A CB -0.470 18.510 19.000 -0.033 0.000 0.954 270 A HN 1.470 nan 8.150 nan 0.000 0.511 271 G N 1.164 109.949 108.800 -0.025 0.000 2.195 271 G HA2 -0.216 3.735 3.960 -0.015 0.000 0.246 271 G HA3 -0.216 3.735 3.960 -0.015 0.000 0.246 271 G C 0.141 175.027 174.900 -0.023 0.000 0.984 271 G CA 0.400 45.479 45.100 -0.035 0.000 0.633 271 G HN 1.108 nan 8.290 nan 0.000 0.525 272 D N 1.316 121.714 120.400 -0.003 0.000 2.382 272 D HA 0.272 4.903 4.640 -0.015 0.000 0.245 272 D C -0.382 175.955 176.300 0.062 0.000 1.120 272 D CA -0.825 53.198 54.000 0.037 0.000 0.890 272 D CB 1.534 42.374 40.800 0.067 0.000 1.201 272 D HN 0.145 nan 8.370 nan 0.000 0.433 273 P HA -0.088 nan 4.420 nan 0.000 0.230 273 P C 1.493 178.836 177.300 0.073 0.000 1.158 273 P CA 0.442 63.580 63.100 0.062 0.000 0.769 273 P CB 0.166 31.896 31.700 0.051 0.000 0.807 274 M N -1.194 118.479 119.600 0.121 0.000 2.358 274 M HA -0.067 4.404 4.480 -0.015 0.000 0.264 274 M C 0.992 177.349 176.300 0.095 0.000 1.064 274 M CA 0.594 55.974 55.300 0.133 0.000 1.093 274 M CB -1.772 30.946 32.600 0.197 0.000 1.401 274 M HN 0.019 nan 8.290 nan 0.000 0.440 275 C N 0.766 120.104 119.300 0.064 0.000 4.365 275 C HA -0.173 4.278 4.460 -0.015 0.000 0.299 275 C C 1.771 176.779 174.990 0.031 0.000 1.409 275 C CA 0.612 59.656 59.018 0.043 0.000 2.007 275 C CB -2.584 25.181 27.740 0.042 0.000 1.264 275 C HN 0.639 nan 8.230 nan 0.000 0.777 276 S N -1.959 113.750 115.700 0.015 0.000 3.200 276 S HA 0.405 4.867 4.470 -0.015 0.000 0.209 276 S C 0.398 175.110 174.600 0.188 0.000 0.869 276 S CA 0.054 58.243 58.200 -0.019 0.000 0.820 276 S CB -0.007 63.033 63.200 -0.267 0.000 0.834 276 S HN 0.530 nan 8.310 nan 0.000 0.622 277 F N 2.257 122.187 119.950 -0.034 0.000 2.378 277 F HA 0.384 4.901 4.527 -0.015 0.000 0.319 277 F C 0.863 176.642 175.800 -0.035 0.000 1.155 277 F CA -0.586 57.397 58.000 -0.028 0.000 1.157 277 F CB 0.466 39.453 39.000 -0.021 0.000 1.252 277 F HN 0.172 nan 8.300 nan 0.000 0.550 278 N N 2.180 120.959 118.700 0.131 0.000 2.644 278 N HA 0.164 4.895 4.740 -0.015 0.000 0.313 278 N C -0.955 174.546 175.510 -0.016 0.000 1.863 278 N CA -0.143 52.929 53.050 0.037 0.000 0.918 278 N CB 0.133 38.629 38.487 0.015 0.000 1.320 278 N HN 0.360 nan 8.380 nan 0.000 0.490 279 M N -0.045 119.541 119.600 -0.024 0.000 2.471 279 M HA 0.411 4.882 4.480 -0.015 0.000 0.309 279 M C 0.776 177.020 176.300 -0.093 0.000 1.186 279 M CA -0.387 54.857 55.300 -0.094 0.000 1.008 279 M CB 1.119 33.622 32.600 -0.162 0.000 1.551 279 M HN 0.288 nan 8.290 nan 0.000 0.477 280 T N -2.614 111.868 114.554 -0.119 0.000 2.916 280 T HA 0.543 4.884 4.350 -0.015 0.000 0.292 280 T C -2.495 172.107 174.700 -0.164 0.000 1.064 280 T CA -1.695 60.320 62.100 -0.141 0.000 1.011 280 T CB 2.028 70.806 68.868 -0.150 0.000 1.152 280 T HN 0.272 nan 8.240 nan 0.000 0.510 281 P HA 0.000 nan 4.420 nan 0.000 0.222 281 P C 1.602 178.765 177.300 -0.228 0.000 1.147 281 P CA 0.352 63.321 63.100 -0.218 0.000 0.790 281 P CB -0.072 31.416 31.700 -0.353 0.000 0.780 282 V N -0.173 119.541 119.914 -0.333 0.000 2.358 282 V HA -0.163 3.949 4.120 -0.015 0.000 0.246 282 V C 2.591 178.674 176.094 -0.018 0.000 1.047 282 V CA 2.461 64.675 62.300 -0.143 0.000 1.035 282 V CB -1.857 29.872 31.823 -0.156 0.000 0.658 282 V HN 0.163 nan 8.190 nan 0.000 0.452 283 G N 0.693 109.460 108.800 -0.054 0.000 2.480 283 G HA2 -0.230 3.721 3.960 -0.015 0.000 0.216 283 G HA3 -0.230 3.721 3.960 -0.015 0.000 0.216 283 G C 1.474 176.400 174.900 0.043 0.000 1.200 283 G CA 1.135 46.226 45.100 -0.015 0.000 0.782 283 G HN 0.350 nan 8.290 nan 0.000 0.554 284 I N 2.022 122.601 120.570 0.016 0.000 2.151 284 I HA -0.162 4.000 4.170 -0.015 0.000 0.243 284 I C 3.045 179.258 176.117 0.160 0.000 1.080 284 I CA 1.568 62.930 61.300 0.103 0.000 1.339 284 I CB -1.680 36.379 38.000 0.097 0.000 1.039 284 I HN 0.253 nan 8.210 nan 0.000 0.409 285 G N 0.449 109.367 108.800 0.197 0.000 2.448 285 G HA2 -0.235 3.716 3.960 -0.015 0.000 0.219 285 G HA3 -0.235 3.716 3.960 -0.015 0.000 0.219 285 G C 1.848 176.797 174.900 0.082 0.000 1.127 285 G CA 0.390 45.601 45.100 0.186 0.000 0.766 285 G HN 0.357 nan 8.290 nan 0.000 0.552 286 K N -0.425 119.990 120.400 0.025 0.000 2.097 286 K HA -0.066 4.245 4.320 -0.015 0.000 0.206 286 K C 2.631 179.267 176.600 0.060 0.000 1.049 286 K CA 1.106 57.306 56.287 -0.145 0.000 0.933 286 K CB -0.294 31.900 32.500 -0.510 0.000 0.717 286 K HN 0.348 nan 8.250 nan 0.000 0.442 287 C N 0.605 120.056 119.300 0.253 0.000 2.413 287 C HA -0.127 4.325 4.460 -0.015 0.000 0.276 287 C C 2.504 177.593 174.990 0.165 0.000 1.236 287 C CA 0.371 59.582 59.018 0.322 0.000 1.735 287 C CB -0.790 27.136 27.740 0.310 0.000 2.031 287 C HN 0.487 nan 8.230 nan 0.000 0.474 288 L N 1.342 122.630 121.223 0.109 0.000 2.093 288 L HA -0.076 4.256 4.340 -0.015 0.000 0.208 288 L C 2.334 179.182 176.870 -0.036 0.000 1.085 288 L CA 1.859 56.720 54.840 0.035 0.000 0.755 288 L CB -0.742 41.356 42.059 0.065 0.000 0.904 288 L HN 0.253 nan 8.230 nan 0.000 0.435 289 K N -1.559 118.832 120.400 -0.015 0.000 2.026 289 K HA -0.227 4.084 4.320 -0.015 0.000 0.208 289 K C 2.124 178.643 176.600 -0.135 0.000 1.048 289 K CA 1.859 58.105 56.287 -0.069 0.000 0.929 289 K CB -0.540 31.930 32.500 -0.051 0.000 0.713 289 K HN 0.310 nan 8.250 nan 0.000 0.439 290 Y N 1.545 121.753 120.300 -0.154 0.000 2.102 290 Y HA -0.291 4.256 4.550 -0.004 0.000 0.280 290 Y C 1.849 177.313 175.900 -0.726 0.000 1.178 290 Y CA 1.686 59.619 58.100 -0.280 0.000 1.146 290 Y CB -0.102 38.297 38.460 -0.102 0.000 0.968 290 Y HN 0.022 nan 8.280 nan 0.000 0.504 291 I N -0.931 119.262 120.570 -0.628 0.000 2.353 291 I HA -0.295 3.867 4.170 -0.015 0.000 0.248 291 I C 2.253 177.965 176.117 -0.676 0.000 1.119 291 I CA 0.827 61.508 61.300 -1.032 0.000 1.417 291 I CB -0.314 37.389 38.000 -0.495 0.000 1.078 291 I HN 0.239 nan 8.210 nan 0.000 0.421 292 L N 0.563 121.558 121.223 -0.380 0.000 2.083 292 L HA -0.235 4.096 4.340 -0.015 0.000 0.209 292 L C 2.648 179.392 176.870 -0.211 0.000 1.083 292 L CA 1.470 56.180 54.840 -0.218 0.000 0.752 292 L CB -0.593 41.377 42.059 -0.148 0.000 0.899 292 L HN 0.405 nan 8.230 nan 0.000 0.433 293 Q N -1.210 118.402 119.800 -0.312 0.000 2.364 293 Q HA -0.204 4.127 4.340 -0.015 0.000 0.209 293 Q C 1.649 177.562 176.000 -0.144 0.000 0.977 293 Q CA 1.266 56.926 55.803 -0.239 0.000 0.885 293 Q CB -0.517 28.054 28.738 -0.279 0.000 0.941 293 Q HN 0.389 nan 8.270 nan 0.000 0.464 294 W N 1.098 122.238 121.300 -0.267 0.000 2.525 294 W HA 0.032 4.680 4.660 -0.020 0.000 0.259 294 W C 0.283 176.733 176.519 -0.114 0.000 1.253 294 W CA 0.887 58.077 57.345 -0.259 0.000 1.262 294 W CB -0.604 28.701 29.460 -0.258 0.000 1.122 294 W HN 0.396 nan 8.180 nan 0.000 0.607 295 Q N -0.858 119.004 119.800 0.104 0.000 2.457 295 Q HA -0.215 4.117 4.340 -0.015 0.000 0.283 295 Q C -0.269 175.777 176.000 0.076 0.000 1.234 295 Q CA 0.307 56.146 55.803 0.060 0.000 0.877 295 Q CB -2.017 26.743 28.738 0.038 0.000 1.250 295 Q HN 0.195 nan 8.270 nan 0.000 0.481 296 L N -0.371 120.915 121.223 0.105 0.000 2.399 296 L HA 0.621 4.952 4.340 -0.015 0.000 0.265 296 L C 0.879 177.720 176.870 -0.047 0.000 1.089 296 L CA -0.512 54.344 54.840 0.027 0.000 0.802 296 L CB 0.713 42.799 42.059 0.044 0.000 1.180 296 L HN 0.212 nan 8.230 nan 0.000 0.454 297 A N 1.466 124.193 122.820 -0.155 0.000 2.540 297 A HA 0.149 4.460 4.320 -0.015 0.000 0.268 297 A C 0.123 177.600 177.584 -0.179 0.000 1.061 297 A CA 0.404 52.319 52.037 -0.203 0.000 0.821 297 A CB -0.928 17.788 19.000 -0.474 0.000 0.970 297 A HN 0.644 nan 8.150 nan 0.000 0.524 298 T N 4.097 118.599 114.554 -0.087 0.000 2.792 298 T HA 0.461 4.802 4.350 -0.015 0.000 0.280 298 T C -0.567 174.087 174.700 -0.076 0.000 0.990 298 T CA -0.362 61.699 62.100 -0.065 0.000 0.960 298 T CB 1.085 69.925 68.868 -0.047 0.000 0.939 298 T HN 0.579 nan 8.240 nan 0.000 0.439 299 L N 5.705 126.885 121.223 -0.070 0.000 2.276 299 L HA 0.539 4.870 4.340 -0.015 0.000 0.286 299 L C -0.993 175.802 176.870 -0.125 0.000 1.024 299 L CA -0.951 53.837 54.840 -0.087 0.000 0.826 299 L CB 0.130 42.162 42.059 -0.045 0.000 1.211 299 L HN 0.495 nan 8.230 nan 0.000 0.422 300 I N 6.620 127.058 120.570 -0.220 0.000 2.331 300 I HA 0.361 4.522 4.170 -0.015 0.000 0.292 300 I C -0.077 175.793 176.117 -0.412 0.000 0.998 300 I CA -0.325 60.775 61.300 -0.334 0.000 1.267 300 I CB 1.194 38.894 38.000 -0.501 0.000 1.386 300 I HN 0.558 nan 8.210 nan 0.000 0.476 301 L N 4.626 125.673 121.223 -0.294 0.000 2.341 301 L HA 0.670 5.001 4.340 -0.015 0.000 0.267 301 L C 0.889 177.659 176.870 -0.167 0.000 1.009 301 L CA -0.591 54.125 54.840 -0.207 0.000 0.819 301 L CB 2.163 44.191 42.059 -0.051 0.000 1.323 301 L HN 0.665 nan 8.230 nan 0.000 0.425 302 G N -0.225 108.474 108.800 -0.168 0.000 2.735 302 G HA2 0.697 4.648 3.960 -0.015 0.000 0.192 302 G HA3 0.697 4.648 3.960 -0.015 0.000 0.192 302 G C 0.080 175.025 174.900 0.075 0.000 1.547 302 G CA 0.333 45.219 45.100 -0.358 0.000 1.080 302 G HN 0.929 nan 8.290 nan 0.000 0.569 303 G N -2.094 106.905 108.800 0.333 0.000 2.591 303 G HA2 0.525 4.477 3.960 -0.015 0.000 0.104 303 G HA3 0.525 4.477 3.960 -0.015 0.000 0.104 303 G C 0.334 175.436 174.900 0.337 0.000 1.097 303 G CA 0.386 45.665 45.100 0.298 0.000 1.076 303 G HN 1.332 nan 8.290 nan 0.000 0.485 304 G N -0.968 107.962 108.800 0.216 0.000 2.684 304 G HA2 0.651 4.602 3.960 -0.015 0.000 0.255 304 G HA3 0.651 4.602 3.960 -0.015 0.000 0.255 304 G C 0.561 175.314 174.900 -0.245 0.000 1.219 304 G CA 0.581 45.688 45.100 0.012 0.000 0.901 304 G HN 2.149 nan 8.290 nan 0.000 0.548 305 G N -1.489 106.761 108.800 -0.917 0.000 2.362 305 G HA2 0.154 4.105 3.960 -0.015 0.000 0.189 305 G HA3 0.154 4.105 3.960 -0.015 0.000 0.189 305 G C -0.542 173.875 174.900 -0.804 0.000 1.374 305 G CA -0.498 44.208 45.100 -0.657 0.000 1.140 305 G HN 0.642 nan 8.290 nan 0.000 0.611 306 Y N 0.916 121.187 120.300 -0.048 0.000 2.500 306 Y HA 0.346 4.888 4.550 -0.013 0.000 0.246 306 Y C 1.287 177.139 175.900 -0.079 0.000 1.146 306 Y CA -0.572 57.506 58.100 -0.037 0.000 1.230 306 Y CB 1.007 39.480 38.460 0.022 0.000 1.214 306 Y HN 0.485 nan 8.280 nan 0.000 0.526 307 N N 1.975 120.648 118.700 -0.046 0.000 2.500 307 N HA 0.137 4.868 4.740 -0.015 0.000 0.236 307 N C 0.679 176.072 175.510 -0.195 0.000 1.022 307 N CA 0.178 53.167 53.050 -0.101 0.000 0.935 307 N CB 0.607 39.034 38.487 -0.101 0.000 1.147 307 N HN 0.331 nan 8.380 nan 0.000 0.512 308 L N 2.406 123.512 121.223 -0.195 0.000 2.017 308 L HA -0.130 4.201 4.340 -0.015 0.000 0.208 308 L C 2.324 179.015 176.870 -0.297 0.000 1.073 308 L CA 1.411 56.104 54.840 -0.244 0.000 0.745 308 L CB -0.692 41.247 42.059 -0.200 0.000 0.894 308 L HN 0.506 nan 8.230 nan 0.000 0.432 309 A N 0.435 123.047 122.820 -0.347 0.000 1.908 309 A HA -0.227 4.084 4.320 -0.015 0.000 0.218 309 A C 2.043 179.462 177.584 -0.274 0.000 1.181 309 A CA 2.025 53.766 52.037 -0.492 0.000 0.627 309 A CB -0.622 17.883 19.000 -0.825 0.000 0.818 309 A HN 0.416 nan 8.150 nan 0.000 0.445 310 N N -0.391 118.155 118.700 -0.258 0.000 2.166 310 N HA -0.093 4.638 4.740 -0.015 0.000 0.186 310 N C 1.678 177.007 175.510 -0.302 0.000 1.019 310 N CA 1.863 54.784 53.050 -0.216 0.000 0.856 310 N CB -0.643 37.731 38.487 -0.188 0.000 0.993 310 N HN 0.505 nan 8.380 nan 0.000 0.426 311 T N 0.287 114.582 114.554 -0.431 0.000 2.857 311 T HA 0.040 4.382 4.350 -0.015 0.000 0.266 311 T C 1.910 176.157 174.700 -0.754 0.000 1.048 311 T CA 1.089 62.723 62.100 -0.776 0.000 1.139 311 T CB -0.263 68.054 68.868 -0.918 0.000 0.874 311 T HN 0.303 nan 8.240 nan 0.000 0.455 312 A N 1.979 124.560 122.820 -0.399 0.000 1.902 312 A HA -0.138 4.173 4.320 -0.015 0.000 0.217 312 A C 2.361 179.889 177.584 -0.094 0.000 1.181 312 A CA 1.434 53.366 52.037 -0.175 0.000 0.623 312 A CB -0.478 18.542 19.000 0.034 0.000 0.818 312 A HN 0.407 nan 8.150 nan 0.000 0.443 313 R N -1.329 119.150 120.500 -0.036 0.000 2.096 313 R HA -0.142 4.189 4.340 -0.015 0.000 0.235 313 R C 2.374 178.633 176.300 -0.067 0.000 1.127 313 R CA 1.372 57.472 56.100 -0.000 0.000 0.968 313 R CB -0.889 29.423 30.300 0.019 0.000 0.861 313 R HN 0.671 nan 8.270 nan 0.000 0.440 314 C N -0.130 119.065 119.300 -0.176 0.000 2.462 314 C HA -0.093 4.358 4.460 -0.015 0.000 0.278 314 C C 2.152 177.154 174.990 0.020 0.000 1.253 314 C CA 0.388 59.333 59.018 -0.123 0.000 1.713 314 C CB -0.883 26.691 27.740 -0.276 0.000 2.049 314 C HN 0.620 nan 8.230 nan 0.000 0.477 315 W N 0.822 121.897 121.300 -0.375 0.000 2.584 315 W HA 0.113 4.765 4.660 -0.014 0.000 0.264 315 W C 2.503 178.733 176.519 -0.482 0.000 1.264 315 W CA 1.088 57.945 57.345 -0.813 0.000 1.306 315 W CB -1.764 26.776 29.460 -1.533 0.000 1.110 315 W HN 0.344 nan 8.180 nan 0.000 0.606 316 T N -0.011 114.504 114.554 -0.065 0.000 2.701 316 T HA -0.264 4.077 4.350 -0.015 0.000 0.263 316 T C 1.520 176.196 174.700 -0.040 0.000 1.040 316 T CA 1.701 63.771 62.100 -0.049 0.000 1.147 316 T CB -0.894 67.919 68.868 -0.091 0.000 0.865 316 T HN 0.107 nan 8.240 nan 0.000 0.426 317 Y N 2.130 122.348 120.300 -0.137 0.000 2.097 317 Y HA -0.162 4.384 4.550 -0.007 0.000 0.282 317 Y C 2.096 177.985 175.900 -0.018 0.000 1.152 317 Y CA 1.287 59.319 58.100 -0.112 0.000 1.136 317 Y CB -0.647 37.758 38.460 -0.091 0.000 0.975 317 Y HN 0.092 nan 8.280 nan 0.000 0.498 318 L N -0.669 120.659 121.223 0.175 0.000 2.051 318 L HA -0.326 4.005 4.340 -0.015 0.000 0.214 318 L C 2.316 179.276 176.870 0.150 0.000 1.076 318 L CA 2.031 56.971 54.840 0.166 0.000 0.758 318 L CB -1.197 41.087 42.059 0.373 0.000 0.890 318 L HN 0.293 nan 8.230 nan 0.000 0.433 319 T N -0.299 114.394 114.554 0.232 0.000 2.746 319 T HA -0.127 4.214 4.350 -0.015 0.000 0.267 319 T C 1.886 176.581 174.700 -0.008 0.000 1.039 319 T CA 1.286 63.513 62.100 0.212 0.000 1.142 319 T CB -0.599 68.442 68.868 0.288 0.000 0.866 319 T HN 0.590 nan 8.240 nan 0.000 0.444 320 G N 1.085 109.806 108.800 -0.132 0.000 2.469 320 G HA2 -0.210 3.741 3.960 -0.015 0.000 0.219 320 G HA3 -0.210 3.741 3.960 -0.015 0.000 0.219 320 G C 1.688 176.453 174.900 -0.226 0.000 1.150 320 G CA 1.015 45.985 45.100 -0.218 0.000 0.763 320 G HN 0.438 nan 8.290 nan 0.000 0.561 321 V N 1.141 120.882 119.914 -0.287 0.000 2.270 321 V HA -0.116 3.995 4.120 -0.015 0.000 0.245 321 V C 2.769 178.788 176.094 -0.125 0.000 1.043 321 V CA 1.514 63.666 62.300 -0.246 0.000 1.014 321 V CB -0.422 31.252 31.823 -0.248 0.000 0.645 321 V HN 0.406 nan 8.190 nan 0.000 0.447 322 I N -0.396 120.133 120.570 -0.069 0.000 2.367 322 I HA -0.288 3.873 4.170 -0.015 0.000 0.256 322 I C 1.741 177.825 176.117 -0.054 0.000 1.132 322 I CA 1.694 62.967 61.300 -0.045 0.000 1.397 322 I CB -0.152 37.840 38.000 -0.012 0.000 1.074 322 I HN 0.282 nan 8.210 nan 0.000 0.435 323 L N -0.051 121.133 121.223 -0.066 0.000 2.857 323 L HA 0.285 4.616 4.340 -0.015 0.000 0.249 323 L C 1.419 178.249 176.870 -0.066 0.000 1.172 323 L CA -0.012 54.793 54.840 -0.057 0.000 0.980 323 L CB 0.209 42.237 42.059 -0.052 0.000 1.299 323 L HN 0.351 nan 8.230 nan 0.000 0.535 324 G N 0.810 109.562 108.800 -0.080 0.000 2.380 324 G HA2 -0.289 3.662 3.960 -0.015 0.000 0.298 324 G HA3 -0.289 3.662 3.960 -0.015 0.000 0.298 324 G C 0.320 175.173 174.900 -0.077 0.000 0.989 324 G CA 0.501 45.553 45.100 -0.080 0.000 0.836 324 G HN 0.169 nan 8.290 nan 0.000 0.511 325 K N 0.367 120.711 120.400 -0.092 0.000 2.144 325 K HA 0.512 4.823 4.320 -0.015 0.000 0.270 325 K C 0.540 177.081 176.600 -0.099 0.000 1.005 325 K CA -0.218 56.021 56.287 -0.080 0.000 0.932 325 K CB 1.080 33.536 32.500 -0.073 0.000 1.021 325 K HN 0.089 nan 8.250 nan 0.000 0.462 326 T N 2.934 117.454 114.554 -0.056 0.000 2.837 326 T HA 0.449 4.791 4.350 -0.015 0.000 0.285 326 T C 0.336 175.026 174.700 -0.016 0.000 0.984 326 T CA -0.594 61.483 62.100 -0.038 0.000 1.049 326 T CB 0.583 69.448 68.868 -0.005 0.000 0.947 326 T HN 0.203 nan 8.240 nan 0.000 0.472 327 L N 2.065 123.279 121.223 -0.015 0.000 2.334 327 L HA 0.506 4.837 4.340 -0.015 0.000 0.275 327 L C 0.911 177.852 176.870 0.118 0.000 1.036 327 L CA -0.966 53.883 54.840 0.014 0.000 0.807 327 L CB 1.583 43.510 42.059 -0.219 0.000 1.231 327 L HN 0.594 nan 8.230 nan 0.000 0.438 328 S N 0.568 116.406 115.700 0.229 0.000 2.549 328 S HA -0.043 4.418 4.470 -0.015 0.000 0.283 328 S C 1.313 176.043 174.600 0.217 0.000 1.320 328 S CA 0.087 58.404 58.200 0.195 0.000 1.058 328 S CB 1.064 64.360 63.200 0.160 0.000 0.882 328 S HN 0.724 nan 8.310 nan 0.000 0.498 329 S N 3.105 118.888 115.700 0.138 0.000 2.419 329 S HA -0.097 4.365 4.470 -0.015 0.000 0.235 329 S C 0.245 174.927 174.600 0.137 0.000 1.019 329 S CA 1.028 59.300 58.200 0.120 0.000 0.982 329 S CB -0.504 62.743 63.200 0.078 0.000 0.789 329 S HN 0.861 nan 8.310 nan 0.000 0.490 330 E N 1.477 121.758 120.200 0.134 0.000 2.227 330 E HA 0.325 4.666 4.350 -0.015 0.000 0.282 330 E C -0.461 176.217 176.600 0.129 0.000 1.015 330 E CA -0.452 56.027 56.400 0.132 0.000 0.823 330 E CB 0.743 30.506 29.700 0.104 0.000 1.081 330 E HN 0.229 nan 8.360 nan 0.000 0.396 331 I N 4.905 125.566 120.570 0.152 0.000 2.581 331 I HA 0.079 4.240 4.170 -0.015 0.000 0.285 331 I C -1.923 174.260 176.117 0.110 0.000 1.129 331 I CA -2.042 59.313 61.300 0.091 0.000 1.397 331 I CB -0.451 37.563 38.000 0.024 0.000 1.399 331 I HN 0.284 nan 8.210 nan 0.000 0.537 332 P HA -0.001 nan 4.420 nan 0.000 0.269 332 P C -0.387 177.002 177.300 0.149 0.000 1.217 332 P CA -0.179 62.867 63.100 -0.090 0.000 0.783 332 P CB 0.515 32.027 31.700 -0.313 0.000 0.898 333 D N 1.251 121.622 120.400 -0.049 0.000 2.382 333 D HA 0.167 4.798 4.640 -0.015 0.000 0.245 333 D C -0.002 176.326 176.300 0.046 0.000 1.120 333 D CA 0.486 54.363 54.000 -0.204 0.000 0.890 333 D CB 0.321 40.811 40.800 -0.516 0.000 1.201 333 D HN 0.486 nan 8.370 nan 0.000 0.433 334 H N 0.620 119.703 119.070 0.021 0.000 2.863 334 H HA 0.150 4.698 4.556 -0.013 0.000 0.274 334 H C 0.467 175.831 175.328 0.060 0.000 1.457 334 H CA -0.659 55.403 56.048 0.023 0.000 1.151 334 H CB 0.373 30.157 29.762 0.036 0.000 1.844 334 H HN 0.490 nan 8.280 nan 0.000 0.562 335 E N 0.274 120.506 120.200 0.054 0.000 2.197 335 E HA -0.199 4.142 4.350 -0.015 0.000 0.205 335 E C -0.033 176.330 176.600 -0.396 0.000 1.029 335 E CA 2.315 58.584 56.400 -0.218 0.000 0.828 335 E CB -0.120 29.375 29.700 -0.341 0.000 0.737 335 E HN 0.407 nan 8.360 nan 0.000 0.464 336 F N -1.150 118.740 119.950 -0.100 0.000 2.735 336 F HA 0.204 4.723 4.527 -0.015 0.000 0.304 336 F C 0.866 176.684 175.800 0.030 0.000 1.119 336 F CA -0.630 57.398 58.000 0.046 0.000 1.280 336 F CB 0.056 39.227 39.000 0.286 0.000 0.994 336 F HN -0.005 nan 8.300 nan 0.000 0.520 337 F N 1.826 121.594 119.950 -0.303 0.000 2.184 337 F HA -0.326 4.192 4.527 -0.015 0.000 0.301 337 F C 2.625 178.613 175.800 0.314 0.000 1.076 337 F CA 2.267 60.222 58.000 -0.074 0.000 1.295 337 F CB -0.335 38.549 39.000 -0.195 0.000 1.026 337 F HN 0.128 nan 8.300 nan 0.000 0.494 338 T N -1.734 112.987 114.554 0.278 0.000 2.867 338 T HA -0.081 4.260 4.350 -0.015 0.000 0.268 338 T C 2.076 176.825 174.700 0.081 0.000 1.057 338 T CA 0.820 63.054 62.100 0.223 0.000 1.136 338 T CB -1.008 67.970 68.868 0.183 0.000 0.874 338 T HN 0.302 nan 8.240 nan 0.000 0.466 339 A N 0.287 123.150 122.820 0.073 0.000 2.125 339 A HA 0.051 4.363 4.320 -0.015 0.000 0.219 339 A C 1.683 179.009 177.584 -0.431 0.000 1.156 339 A CA 0.845 52.783 52.037 -0.166 0.000 0.671 339 A CB -0.958 17.920 19.000 -0.202 0.000 0.794 339 A HN 0.696 nan 8.150 nan 0.000 0.459 340 Y N -0.267 119.900 120.300 -0.222 0.000 2.457 340 Y HA 0.306 4.847 4.550 -0.014 0.000 0.263 340 Y C 1.781 177.198 175.900 -0.806 0.000 1.164 340 Y CA -0.481 57.412 58.100 -0.346 0.000 1.274 340 Y CB -0.319 38.028 38.460 -0.189 0.000 1.097 340 Y HN 0.273 nan 8.280 nan 0.000 0.523 341 G N 1.250 109.468 108.800 -0.969 0.000 2.634 341 G HA2 0.138 4.090 3.960 -0.015 0.000 0.255 341 G HA3 0.138 4.090 3.960 -0.015 0.000 0.255 341 G C -1.135 173.408 174.900 -0.595 0.000 1.205 341 G CA -0.818 43.480 45.100 -1.338 0.000 0.884 341 G HN 0.061 nan 8.290 nan 0.000 0.549 342 P HA 0.035 nan 4.420 nan 0.000 0.229 342 P C 0.191 177.258 177.300 -0.389 0.000 1.160 342 P CA 0.891 63.785 63.100 -0.343 0.000 0.777 342 P CB 0.502 32.129 31.700 -0.122 0.000 0.814 343 D N -1.905 118.234 120.400 -0.434 0.000 2.423 343 D HA 0.026 4.658 4.640 -0.015 0.000 0.212 343 D C 0.251 176.582 176.300 0.052 0.000 1.060 343 D CA 0.080 54.024 54.000 -0.095 0.000 0.872 343 D CB -0.441 40.326 40.800 -0.056 0.000 1.012 343 D HN 0.085 nan 8.370 nan 0.000 0.503 344 Y N -0.518 119.761 120.300 -0.036 0.000 3.929 344 Y HA -0.245 4.296 4.550 -0.015 0.000 0.225 344 Y C 0.272 176.186 175.900 0.023 0.000 1.200 344 Y CA -0.059 58.007 58.100 -0.056 0.000 1.791 344 Y CB -2.450 35.915 38.460 -0.159 0.000 1.561 344 Y HN -0.062 nan 8.280 nan 0.000 0.657 345 V N -2.415 117.567 119.914 0.113 0.000 2.612 345 V HA 0.495 4.606 4.120 -0.015 0.000 0.301 345 V C 1.001 177.152 176.094 0.094 0.000 1.046 345 V CA -0.912 61.449 62.300 0.101 0.000 0.946 345 V CB 1.948 33.809 31.823 0.063 0.000 1.003 345 V HN 0.129 nan 8.190 nan 0.000 0.459 346 L N 1.140 122.422 121.223 0.098 0.000 2.201 346 L HA 0.188 4.519 4.340 -0.015 0.000 0.212 346 L C 1.211 178.077 176.870 -0.006 0.000 1.105 346 L CA 1.426 56.309 54.840 0.072 0.000 0.775 346 L CB -0.436 41.676 42.059 0.089 0.000 0.913 346 L HN 0.899 nan 8.230 nan 0.000 0.440 347 E N 0.083 120.270 120.200 -0.022 0.000 2.354 347 E HA 0.316 4.657 4.350 -0.015 0.000 0.269 347 E C -0.486 176.070 176.600 -0.073 0.000 1.036 347 E CA 0.156 56.510 56.400 -0.077 0.000 0.876 347 E CB 0.785 30.448 29.700 -0.060 0.000 1.009 347 E HN 0.152 nan 8.360 nan 0.000 0.416 348 I N 2.114 122.620 120.570 -0.106 0.000 2.377 348 I HA 0.228 4.390 4.170 -0.015 0.000 0.293 348 I C -0.208 175.860 176.117 -0.082 0.000 0.987 348 I CA -0.765 60.480 61.300 -0.092 0.000 1.185 348 I CB 1.762 39.696 38.000 -0.110 0.000 1.341 348 I HN 0.325 nan 8.210 nan 0.000 0.455 349 T N 6.683 121.198 114.554 -0.065 0.000 2.771 349 T HA 0.282 4.624 4.350 -0.015 0.000 0.291 349 T C -2.251 172.420 174.700 -0.050 0.000 0.954 349 T CA -1.109 60.959 62.100 -0.053 0.000 1.045 349 T CB 0.786 69.628 68.868 -0.042 0.000 0.917 349 T HN 0.339 nan 8.240 nan 0.000 0.484 350 P HA 0.033 nan 4.420 nan 0.000 0.264 350 P C 0.219 177.502 177.300 -0.028 0.000 1.179 350 P CA -0.057 63.021 63.100 -0.037 0.000 0.763 350 P CB 0.360 32.040 31.700 -0.034 0.000 0.806 351 S N 1.715 117.402 115.700 -0.021 0.000 2.617 351 S HA 0.053 4.514 4.470 -0.015 0.000 0.259 351 S C 1.123 175.716 174.600 -0.012 0.000 1.301 351 S CA -0.010 58.181 58.200 -0.016 0.000 0.984 351 S CB -0.014 63.181 63.200 -0.009 0.000 0.954 351 S HN 0.677 nan 8.310 nan 0.000 0.572 352 C N -0.142 119.152 119.300 -0.010 0.000 2.625 352 C HA 0.452 4.903 4.460 -0.015 0.000 0.285 352 C C 1.005 175.993 174.990 -0.004 0.000 1.279 352 C CA -1.057 57.957 59.018 -0.008 0.000 1.698 352 C CB -1.644 26.091 27.740 -0.008 0.000 1.821 352 C HN 0.626 nan 8.230 nan 0.000 0.600 353 R N 2.702 123.202 120.500 -0.000 0.000 2.623 353 R HA 0.253 4.585 4.340 -0.015 0.000 0.271 353 R C -2.223 174.079 176.300 0.004 0.000 1.043 353 R CA -0.579 55.523 56.100 0.005 0.000 1.083 353 R CB 0.058 30.365 30.300 0.013 0.000 0.974 353 R HN 0.307 nan 8.270 nan 0.000 0.436 354 P HA 0.004 nan 4.420 nan 0.000 0.271 354 P C -0.577 176.724 177.300 0.002 0.000 1.216 354 P CA -0.225 62.876 63.100 0.002 0.000 0.776 354 P CB 0.436 32.138 31.700 0.004 0.000 0.881 355 D N 2.459 122.856 120.400 -0.004 0.000 2.338 355 D HA 0.029 4.660 4.640 -0.015 0.000 0.255 355 D C 0.587 176.882 176.300 -0.009 0.000 1.237 355 D CA -0.112 53.881 54.000 -0.012 0.000 0.883 355 D CB 0.444 41.233 40.800 -0.019 0.000 1.087 355 D HN 0.110 nan 8.370 nan 0.000 0.485 356 R N 3.156 123.651 120.500 -0.007 0.000 2.356 356 R HA 0.130 4.461 4.340 -0.015 0.000 0.234 356 R C -0.226 176.069 176.300 -0.008 0.000 0.929 356 R CA -0.152 55.947 56.100 -0.002 0.000 1.084 356 R CB -0.091 30.213 30.300 0.007 0.000 1.105 356 R HN 0.394 nan 8.270 nan 0.000 0.515 357 N N 2.256 120.942 118.700 -0.023 0.000 2.527 357 N HA 0.067 4.798 4.740 -0.015 0.000 0.236 357 N C -0.403 175.096 175.510 -0.019 0.000 0.999 357 N CA -0.092 52.939 53.050 -0.032 0.000 0.935 357 N CB 1.538 39.986 38.487 -0.064 0.000 1.132 357 N HN -0.047 nan 8.380 nan 0.000 0.511 358 E N 2.287 122.484 120.200 -0.005 0.000 2.344 358 E HA 0.073 4.415 4.350 -0.015 0.000 0.270 358 E C -1.458 175.154 176.600 0.021 0.000 1.021 358 E CA -1.364 55.046 56.400 0.017 0.000 0.887 358 E CB 1.395 31.117 29.700 0.037 0.000 0.997 358 E HN 0.348 nan 8.360 nan 0.000 0.429 359 P HA -0.083 nan 4.420 nan 0.000 0.229 359 P C 0.969 178.310 177.300 0.069 0.000 1.160 359 P CA 0.841 63.956 63.100 0.025 0.000 0.777 359 P CB 0.225 31.936 31.700 0.019 0.000 0.814 360 H N 0.791 119.850 119.070 -0.018 0.000 2.299 360 H HA -0.098 4.449 4.556 -0.015 0.000 0.302 360 H C 2.178 177.498 175.328 -0.014 0.000 1.078 360 H CA 1.830 57.870 56.048 -0.013 0.000 1.323 360 H CB -0.378 29.380 29.762 -0.007 0.000 1.381 360 H HN -0.239 nan 8.280 nan 0.000 0.498 361 R N 0.702 121.124 120.500 -0.130 0.000 2.091 361 R HA -0.071 4.260 4.340 -0.015 0.000 0.238 361 R C 2.392 178.606 176.300 -0.144 0.000 1.136 361 R CA 1.656 57.639 56.100 -0.194 0.000 0.959 361 R CB -0.856 29.385 30.300 -0.099 0.000 0.856 361 R HN 0.449 nan 8.270 nan 0.000 0.437 362 I N 0.542 121.057 120.570 -0.091 0.000 2.208 362 I HA -0.255 3.907 4.170 -0.015 0.000 0.245 362 I C 2.166 178.235 176.117 -0.080 0.000 1.097 362 I CA 1.488 62.733 61.300 -0.091 0.000 1.363 362 I CB -0.873 37.080 38.000 -0.078 0.000 1.051 362 I HN 0.320 nan 8.210 nan 0.000 0.413 363 Q N 1.424 121.194 119.800 -0.051 0.000 2.079 363 Q HA -0.222 4.110 4.340 -0.015 0.000 0.200 363 Q C 2.239 178.218 176.000 -0.034 0.000 0.974 363 Q CA 1.762 57.552 55.803 -0.021 0.000 0.840 363 Q CB -0.232 28.533 28.738 0.045 0.000 0.898 363 Q HN 0.666 nan 8.270 nan 0.000 0.430 364 Q N -0.652 119.093 119.800 -0.092 0.000 2.124 364 Q HA -0.142 4.189 4.340 -0.015 0.000 0.202 364 Q C 2.017 178.013 176.000 -0.007 0.000 0.977 364 Q CA 1.527 57.292 55.803 -0.062 0.000 0.850 364 Q CB -0.406 28.252 28.738 -0.135 0.000 0.901 364 Q HN 0.409 nan 8.270 nan 0.000 0.429 365 I N 1.083 121.613 120.570 -0.067 0.000 2.179 365 I HA -0.265 3.897 4.170 -0.015 0.000 0.242 365 I C 2.318 178.413 176.117 -0.037 0.000 1.088 365 I CA 1.100 62.349 61.300 -0.084 0.000 1.357 365 I CB -0.199 37.714 38.000 -0.146 0.000 1.051 365 I HN 0.197 nan 8.210 nan 0.000 0.409 366 L N 0.304 121.499 121.223 -0.046 0.000 2.046 366 L HA -0.219 4.113 4.340 -0.015 0.000 0.208 366 L C 2.294 179.166 176.870 0.004 0.000 1.077 366 L CA 1.196 56.013 54.840 -0.037 0.000 0.747 366 L CB -0.817 41.208 42.059 -0.057 0.000 0.896 366 L HN 0.344 nan 8.230 nan 0.000 0.432 367 N N -0.393 118.319 118.700 0.020 0.000 2.120 367 N HA -0.237 4.494 4.740 -0.015 0.000 0.188 367 N C 1.777 177.327 175.510 0.067 0.000 1.024 367 N CA 1.373 54.440 53.050 0.029 0.000 0.852 367 N CB -0.469 38.032 38.487 0.023 0.000 1.003 367 N HN 0.365 nan 8.380 nan 0.000 0.424 368 Y N 1.382 121.658 120.300 -0.041 0.000 2.145 368 Y HA -0.132 4.409 4.550 -0.015 0.000 0.286 368 Y C 2.241 178.130 175.900 -0.019 0.000 1.145 368 Y CA 1.199 59.282 58.100 -0.028 0.000 1.148 368 Y CB -0.093 38.341 38.460 -0.042 0.000 0.981 368 Y HN -0.038 nan 8.280 nan 0.000 0.507 369 I N 0.152 120.848 120.570 0.209 0.000 2.252 369 I HA -0.305 3.856 4.170 -0.015 0.000 0.245 369 I C 2.492 178.641 176.117 0.055 0.000 1.102 369 I CA 1.493 62.862 61.300 0.114 0.000 1.385 369 I CB -0.416 37.602 38.000 0.030 0.000 1.064 369 I HN 0.133 nan 8.210 nan 0.000 0.414 370 K N 1.144 121.559 120.400 0.025 0.000 2.032 370 K HA -0.174 4.137 4.320 -0.015 0.000 0.209 370 K C 2.160 178.742 176.600 -0.030 0.000 1.048 370 K CA 1.694 57.975 56.287 -0.010 0.000 0.927 370 K CB -0.527 31.964 32.500 -0.017 0.000 0.712 370 K HN 0.379 nan 8.250 nan 0.000 0.441 371 G N 1.524 110.308 108.800 -0.026 0.000 2.631 371 G HA2 -0.368 3.584 3.960 -0.015 0.000 0.219 371 G HA3 -0.368 3.584 3.960 -0.015 0.000 0.219 371 G C 1.258 176.137 174.900 -0.035 0.000 1.214 371 G CA 1.397 46.462 45.100 -0.058 0.000 0.785 371 G HN 0.338 nan 8.290 nan 0.000 0.596 372 N N 0.677 119.406 118.700 0.049 0.000 2.037 372 N HA -0.112 4.619 4.740 -0.015 0.000 0.196 372 N C 2.230 177.729 175.510 -0.019 0.000 1.034 372 N CA 1.113 54.218 53.050 0.091 0.000 0.861 372 N CB -0.666 37.952 38.487 0.218 0.000 1.039 372 N HN 0.344 nan 8.380 nan 0.000 0.427 373 L N 0.779 121.981 121.223 -0.036 0.000 2.353 373 L HA -0.084 4.248 4.340 -0.015 0.000 0.220 373 L C 2.010 178.797 176.870 -0.139 0.000 1.133 373 L CA 0.783 55.571 54.840 -0.087 0.000 0.798 373 L CB -0.182 41.842 42.059 -0.059 0.000 0.922 373 L HN 0.146 nan 8.230 nan 0.000 0.445 374 K N -0.691 119.594 120.400 -0.191 0.000 2.209 374 K HA -0.170 4.142 4.320 -0.015 0.000 0.204 374 K C 1.767 178.152 176.600 -0.359 0.000 1.048 374 K CA 1.171 57.292 56.287 -0.277 0.000 0.940 374 K CB -0.148 32.147 32.500 -0.343 0.000 0.729 374 K HN 0.406 nan 8.250 nan 0.000 0.451 375 H N -0.809 118.047 119.070 -0.357 0.000 2.545 375 H HA 0.001 4.548 4.556 -0.015 0.000 0.282 375 H C -0.139 175.092 175.328 -0.161 0.000 1.020 375 H CA 0.243 56.074 56.048 -0.362 0.000 1.243 375 H CB 0.160 29.383 29.762 -0.898 0.000 1.377 375 H HN -0.138 nan 8.280 nan 0.000 0.581 376 V N 2.428 122.289 119.914 -0.088 0.000 2.353 376 V HA 0.183 4.294 4.120 -0.015 0.000 0.264 376 V C -0.341 175.754 176.094 0.002 0.000 1.049 376 V CA -0.474 61.784 62.300 -0.070 0.000 0.896 376 V CB 0.765 32.431 31.823 -0.262 0.000 1.025 376 V HN 0.008 nan 8.190 nan 0.000 0.475 377 V N 5.881 125.844 119.914 0.082 0.000 2.577 377 V HA 0.534 4.645 4.120 -0.015 0.000 0.303 377 V C -0.037 176.105 176.094 0.079 0.000 1.042 377 V CA -0.656 61.671 62.300 0.045 0.000 0.872 377 V CB 1.865 33.700 31.823 0.020 0.000 0.998 377 V HN 0.468 nan 8.190 nan 0.000 0.423 378 I N 0.000 120.589 120.570 0.032 0.000 2.984 378 I HA 0.000 4.161 4.170 -0.015 0.000 0.288 378 I CA 0.000 61.311 61.300 0.018 0.000 1.566 378 I CB 0.000 37.963 38.000 -0.061 0.000 1.214 378 I HN 0.000 nan 8.210 nan 0.000 0.494