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 2xw0_1_A DATA FIRST_RESID 5 DATA SEQUENCE SEVAHRFKDL GEENFKALVL IAFAQYLQQC PFEDHVKLVN EVTEFAKTcV DATA SEQUENCE ADESAENcDK SLHTLFGDKL cTVAXXXXXX XXXADccAKQ EPERNEcFLQ DATA SEQUENCE HKDDNPNLPR LVRPEVDVMc TAFHDNEETF LKKYLYEIAR RHPYFYAPEL DATA SEQUENCE LFFAKRYKAA FTEccQAADK AAcLLPKLDE LRDEGKASSA KQRLKcASLQ DATA SEQUENCE KFGERAFKAW AVARLSQRFP KAEFAEVSKL VTDLTKVHTE ccHGDLLEcA DATA SEQUENCE DDRADLAKYI cENQDSISSK LKEccEKPLL EKSHcIAEVE NDEMPADLPS DATA SEQUENCE LAADFVESKD VcKNYAEAKD VFLGMFLYEY ARRHPDYSVV LLLRLAKTYE DATA SEQUENCE TTLEKccAAA DPHEcYAKVF DEFKPLVEEP QNLIKQNcEL FEQLGEYKFQ DATA SEQUENCE NALLVRYTKK VPQVSTPTLV EVSRNLGKVG SKccKHPEAK RMPcAEDYLS DATA SEQUENCE VVLNQLcVLH EKTPVSDRVT KccTESLVNR RPcFSALEVD ETYVPKEFNA DATA SEQUENCE ETFTFHADIc TLSEKERQIK KQTALVELVK HKPKATKEQL KAVMDDFAAF DATA SEQUENCE VEKccKADDK ETcFAEEGKK LVAASQAA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 5 S HA 0.000 nan 4.470 nan 0.000 0.327 5 S C 0.000 174.634 174.600 0.057 0.000 1.055 5 S CA 0.000 58.217 58.200 0.028 0.000 1.107 5 S CB 0.000 63.199 63.200 -0.002 0.000 0.593 6 E N 3.149 123.369 120.200 0.035 0.000 2.076 6 E HA 0.046 4.347 4.350 -0.083 0.000 0.190 6 E C 1.745 178.392 176.600 0.078 0.000 0.979 6 E CA 1.930 58.350 56.400 0.033 0.000 0.807 6 E CB -0.233 29.463 29.700 -0.007 0.000 0.761 6 E HN 0.536 nan 8.360 nan 0.000 0.454 7 V N 1.091 121.035 119.914 0.050 0.000 2.332 7 V HA -0.274 3.796 4.120 -0.083 0.000 0.248 7 V C 2.378 178.560 176.094 0.147 0.000 1.055 7 V CA 1.882 64.248 62.300 0.111 0.000 1.038 7 V CB -1.049 30.733 31.823 -0.068 0.000 0.651 7 V HN 0.409 nan 8.190 nan 0.000 0.450 8 A N -0.642 122.203 122.820 0.041 0.000 1.898 8 A HA -0.272 3.998 4.320 -0.083 0.000 0.216 8 A C 2.252 179.934 177.584 0.163 0.000 1.181 8 A CA 1.887 53.937 52.037 0.020 0.000 0.620 8 A CB -0.833 18.146 19.000 -0.036 0.000 0.819 8 A HN 0.680 nan 8.150 nan 0.000 0.442 9 H N 0.416 119.525 119.070 0.064 0.000 2.265 9 H HA -0.115 4.391 4.556 -0.082 0.000 0.295 9 H C 2.072 177.472 175.328 0.120 0.000 1.084 9 H CA 2.097 58.190 56.048 0.076 0.000 1.261 9 H CB -0.132 29.662 29.762 0.054 0.000 1.360 9 H HN 0.273 nan 8.280 nan 0.000 0.487 10 R N -0.324 120.448 120.500 0.453 0.000 2.115 10 R HA -0.110 4.180 4.340 -0.083 0.000 0.230 10 R C 2.479 179.011 176.300 0.387 0.000 1.111 10 R CA 0.721 57.042 56.100 0.368 0.000 0.976 10 R CB -1.358 29.081 30.300 0.232 0.000 0.870 10 R HN 0.338 nan 8.270 nan 0.000 0.445 11 F N 2.466 122.563 119.950 0.244 0.000 2.075 11 F HA -0.253 4.225 4.527 -0.082 0.000 0.297 11 F C 2.709 178.530 175.800 0.034 0.000 1.113 11 F CA 2.555 60.600 58.000 0.075 0.000 1.218 11 F CB -0.491 38.344 39.000 -0.276 0.000 0.984 11 F HN 0.055 nan 8.300 nan 0.000 0.472 12 K N 0.235 120.851 120.400 0.359 0.000 2.032 12 K HA -0.210 4.060 4.320 -0.083 0.000 0.209 12 K C 1.788 178.444 176.600 0.094 0.000 1.048 12 K CA 2.110 58.520 56.287 0.205 0.000 0.927 12 K CB -1.581 30.984 32.500 0.109 0.000 0.712 12 K HN 0.468 nan 8.250 nan 0.000 0.441 13 D N 0.437 120.900 120.400 0.104 0.000 2.104 13 D HA -0.094 4.496 4.640 -0.083 0.000 0.194 13 D C 1.919 178.247 176.300 0.046 0.000 0.994 13 D CA 1.517 55.562 54.000 0.076 0.000 0.830 13 D CB -0.058 40.819 40.800 0.128 0.000 0.959 13 D HN 0.467 nan 8.370 nan 0.000 0.452 14 L N -0.502 120.746 121.223 0.043 0.000 2.375 14 L HA 0.235 4.526 4.340 -0.083 0.000 0.215 14 L C 1.312 178.138 176.870 -0.074 0.000 1.108 14 L CA 0.322 55.163 54.840 0.001 0.000 0.830 14 L CB -0.287 41.791 42.059 0.032 0.000 0.959 14 L HN 0.092 nan 8.230 nan 0.000 0.457 15 G N 1.055 109.747 108.800 -0.181 0.000 2.756 15 G HA2 -0.278 3.633 3.960 -0.083 0.000 0.678 15 G HA3 -0.278 3.633 3.960 -0.083 0.000 0.678 15 G C 0.343 174.913 174.900 -0.549 0.000 1.349 15 G CA 0.100 45.031 45.100 -0.281 0.000 0.847 15 G HN 0.364 nan 8.290 nan 0.000 0.548 16 E N -0.506 119.381 120.200 -0.522 0.000 2.112 16 E HA -0.038 4.262 4.350 -0.083 0.000 0.190 16 E C 1.941 178.455 176.600 -0.143 0.000 0.979 16 E CA 1.379 57.486 56.400 -0.488 0.000 0.814 16 E CB -0.112 29.481 29.700 -0.179 0.000 0.762 16 E HN 0.659 nan 8.360 nan 0.000 0.460 17 E N 0.301 120.453 120.200 -0.080 0.000 2.051 17 E HA -0.213 4.088 4.350 -0.083 0.000 0.192 17 E C 1.798 178.400 176.600 0.004 0.000 0.991 17 E CA 1.413 57.806 56.400 -0.011 0.000 0.799 17 E CB 0.025 29.724 29.700 -0.001 0.000 0.748 17 E HN 0.261 nan 8.360 nan 0.000 0.449 18 N N 0.123 118.814 118.700 -0.015 0.000 2.171 18 N HA -0.137 4.554 4.740 -0.083 0.000 0.184 18 N C 1.640 177.147 175.510 -0.004 0.000 1.021 18 N CA 0.838 53.883 53.050 -0.008 0.000 0.854 18 N CB -0.599 37.879 38.487 -0.016 0.000 0.994 18 N HN 0.186 nan 8.380 nan 0.000 0.426 19 F N 2.525 122.368 119.950 -0.178 0.000 2.091 19 F HA -0.265 4.214 4.527 -0.079 0.000 0.299 19 F C 2.444 178.181 175.800 -0.105 0.000 1.103 19 F CA 2.440 60.339 58.000 -0.168 0.000 1.228 19 F CB -0.566 38.236 39.000 -0.331 0.000 0.984 19 F HN 0.061 nan 8.300 nan 0.000 0.477 20 K N 0.410 120.951 120.400 0.235 0.000 2.057 20 K HA 0.113 4.383 4.320 -0.083 0.000 0.206 20 K C 2.304 178.901 176.600 -0.005 0.000 1.050 20 K CA 1.463 57.842 56.287 0.154 0.000 0.935 20 K CB -1.747 30.840 32.500 0.145 0.000 0.715 20 K HN 0.526 nan 8.250 nan 0.000 0.439 21 A N 0.963 123.776 122.820 -0.011 0.000 1.873 21 A HA 0.040 4.311 4.320 -0.083 0.000 0.215 21 A C 2.490 180.012 177.584 -0.103 0.000 1.186 21 A CA 1.492 53.511 52.037 -0.028 0.000 0.616 21 A CB -0.387 18.613 19.000 -0.000 0.000 0.823 21 A HN 0.423 nan 8.150 nan 0.000 0.442 22 L N -0.373 120.760 121.223 -0.151 0.000 2.079 22 L HA -0.185 4.105 4.340 -0.083 0.000 0.210 22 L C 2.481 179.154 176.870 -0.328 0.000 1.081 22 L CA 1.168 55.876 54.840 -0.219 0.000 0.752 22 L CB -0.544 41.370 42.059 -0.241 0.000 0.896 22 L HN 0.259 nan 8.230 nan 0.000 0.433 23 V N -0.255 119.414 119.914 -0.409 0.000 2.515 23 V HA -0.245 3.825 4.120 -0.083 0.000 0.250 23 V C 2.300 178.010 176.094 -0.639 0.000 1.058 23 V CA 1.361 63.331 62.300 -0.551 0.000 1.064 23 V CB -0.319 31.203 31.823 -0.501 0.000 0.675 23 V HN 0.345 nan 8.190 nan 0.000 0.461 24 L N 0.268 121.288 121.223 -0.338 0.000 2.017 24 L HA -0.111 4.180 4.340 -0.083 0.000 0.208 24 L C 2.164 178.944 176.870 -0.150 0.000 1.073 24 L CA 1.926 56.661 54.840 -0.175 0.000 0.745 24 L CB -0.530 41.517 42.059 -0.020 0.000 0.894 24 L HN 0.222 nan 8.230 nan 0.000 0.432 25 I N -0.091 120.383 120.570 -0.160 0.000 2.226 25 I HA -0.286 3.834 4.170 -0.083 0.000 0.245 25 I C 2.653 178.678 176.117 -0.154 0.000 1.100 25 I CA 1.180 62.401 61.300 -0.133 0.000 1.374 25 I CB -0.754 37.178 38.000 -0.114 0.000 1.057 25 I HN 0.390 nan 8.210 nan 0.000 0.413 26 A N 1.043 123.709 122.820 -0.257 0.000 1.908 26 A HA -0.214 4.056 4.320 -0.083 0.000 0.218 26 A C 2.098 179.604 177.584 -0.130 0.000 1.181 26 A CA 1.690 53.547 52.037 -0.300 0.000 0.627 26 A CB -0.840 17.834 19.000 -0.543 0.000 0.818 26 A HN 0.336 nan 8.150 nan 0.000 0.445 27 F N -0.085 119.736 119.950 -0.215 0.000 2.186 27 F HA 0.016 4.492 4.527 -0.084 0.000 0.299 27 F C 2.810 178.439 175.800 -0.284 0.000 1.090 27 F CA 0.164 58.059 58.000 -0.176 0.000 1.307 27 F CB -1.260 37.716 39.000 -0.040 0.000 1.019 27 F HN 0.291 nan 8.300 nan 0.000 0.489 28 A N -0.405 122.324 122.820 -0.152 0.000 1.930 28 A HA -0.187 4.084 4.320 -0.083 0.000 0.217 28 A C 2.139 179.665 177.584 -0.097 0.000 1.175 28 A CA 1.307 53.202 52.037 -0.237 0.000 0.627 28 A CB -0.695 18.205 19.000 -0.168 0.000 0.815 28 A HN 0.427 nan 8.150 nan 0.000 0.443 29 Q N -2.164 117.624 119.800 -0.020 0.000 2.245 29 Q HA -0.082 4.209 4.340 -0.083 0.000 0.201 29 Q C 1.619 177.695 176.000 0.126 0.000 0.955 29 Q CA 1.031 56.848 55.803 0.024 0.000 0.870 29 Q CB -0.109 28.645 28.738 0.027 0.000 0.945 29 Q HN 0.793 nan 8.270 nan 0.000 0.461 30 Y N -0.276 119.971 120.300 -0.087 0.000 2.177 30 Y HA -0.008 4.490 4.550 -0.086 0.000 0.291 30 Y C 1.027 176.909 175.900 -0.031 0.000 1.117 30 Y CA 0.363 58.405 58.100 -0.097 0.000 1.114 30 Y CB 0.210 38.527 38.460 -0.239 0.000 1.017 30 Y HN -0.174 nan 8.280 nan 0.000 0.505 31 L N 1.516 122.843 121.223 0.172 0.000 2.426 31 L HA 0.285 4.575 4.340 -0.083 0.000 0.255 31 L C 0.665 177.653 176.870 0.198 0.000 1.080 31 L CA -0.379 54.571 54.840 0.182 0.000 0.960 31 L CB -0.007 42.193 42.059 0.234 0.000 1.326 31 L HN 0.336 nan 8.230 nan 0.000 0.441 32 Q N -0.368 119.493 119.800 0.102 0.000 2.369 32 Q HA -0.133 4.157 4.340 -0.083 0.000 0.206 32 Q C 2.380 178.432 176.000 0.087 0.000 0.963 32 Q CA 1.462 57.292 55.803 0.046 0.000 0.894 32 Q CB 0.171 28.898 28.738 -0.019 0.000 0.965 32 Q HN 0.910 nan 8.270 nan 0.000 0.475 33 Q N -0.003 119.870 119.800 0.122 0.000 2.297 33 Q HA 0.043 4.333 4.340 -0.083 0.000 0.203 33 Q C 1.224 177.321 176.000 0.163 0.000 0.931 33 Q CA 0.610 56.480 55.803 0.112 0.000 0.885 33 Q CB -0.431 28.350 28.738 0.072 0.000 0.991 33 Q HN 0.393 nan 8.270 nan 0.000 0.498 34 C N 2.699 122.121 119.300 0.204 0.000 2.634 34 C HA 0.288 4.698 4.460 -0.083 0.000 0.417 34 C C -1.673 173.438 174.990 0.202 0.000 1.334 34 C CA -0.885 58.201 59.018 0.113 0.000 1.829 34 C CB 0.465 28.155 27.740 -0.084 0.000 2.665 34 C HN 0.565 nan 8.230 nan 0.000 0.614 35 P HA 0.029 nan 4.420 nan 0.000 0.274 35 P C 0.589 177.843 177.300 -0.076 0.000 1.237 35 P CA -0.110 63.040 63.100 0.083 0.000 0.793 35 P CB 0.395 32.108 31.700 0.023 0.000 0.977 36 F N 2.224 121.931 119.950 -0.406 0.000 2.120 36 F HA -0.247 4.230 4.527 -0.084 0.000 0.300 36 F C 1.839 177.452 175.800 -0.312 0.000 1.095 36 F CA 2.044 59.616 58.000 -0.713 0.000 1.249 36 F CB -0.714 37.871 39.000 -0.692 0.000 0.995 36 F HN 0.276 nan 8.300 nan 0.000 0.480 37 E N 0.500 120.488 120.200 -0.352 0.000 2.058 37 E HA -0.219 4.081 4.350 -0.083 0.000 0.194 37 E C 1.982 178.374 176.600 -0.346 0.000 0.997 37 E CA 1.713 57.887 56.400 -0.377 0.000 0.801 37 E CB -0.583 29.021 29.700 -0.161 0.000 0.746 37 E HN 0.455 nan 8.360 nan 0.000 0.450 38 D N -0.011 120.208 120.400 -0.302 0.000 2.104 38 D HA -0.170 4.420 4.640 -0.083 0.000 0.194 38 D C 1.905 178.043 176.300 -0.270 0.000 0.994 38 D CA 1.214 55.038 54.000 -0.293 0.000 0.830 38 D CB -0.379 40.214 40.800 -0.346 0.000 0.959 38 D HN 0.342 nan 8.370 nan 0.000 0.452 39 H N 0.534 119.524 119.070 -0.134 0.000 2.321 39 H HA -0.047 4.462 4.556 -0.080 0.000 0.300 39 H C 2.549 177.846 175.328 -0.052 0.000 1.087 39 H CA 0.583 56.629 56.048 -0.004 0.000 1.319 39 H CB -0.525 29.281 29.762 0.073 0.000 1.379 39 H HN 0.015 nan 8.280 nan 0.000 0.501 40 V N 1.136 120.925 119.914 -0.209 0.000 2.324 40 V HA -0.292 3.778 4.120 -0.083 0.000 0.250 40 V C 2.743 178.773 176.094 -0.106 0.000 1.060 40 V CA 2.324 64.463 62.300 -0.269 0.000 1.042 40 V CB -0.672 30.783 31.823 -0.613 0.000 0.650 40 V HN 0.323 nan 8.190 nan 0.000 0.450 41 K N -0.049 120.282 120.400 -0.114 0.000 2.002 41 K HA -0.118 4.152 4.320 -0.083 0.000 0.209 41 K C 2.073 178.683 176.600 0.017 0.000 1.048 41 K CA 1.825 58.078 56.287 -0.057 0.000 0.930 41 K CB -0.785 31.666 32.500 -0.082 0.000 0.714 41 K HN 0.627 nan 8.250 nan 0.000 0.438 42 L N 0.582 121.837 121.223 0.054 0.000 2.083 42 L HA -0.107 4.184 4.340 -0.083 0.000 0.209 42 L C 2.632 179.675 176.870 0.287 0.000 1.083 42 L CA 1.307 56.230 54.840 0.138 0.000 0.752 42 L CB -0.602 41.501 42.059 0.074 0.000 0.899 42 L HN 0.110 nan 8.230 nan 0.000 0.433 43 V N 0.331 120.420 119.914 0.293 0.000 2.255 43 V HA -0.290 3.780 4.120 -0.083 0.000 0.247 43 V C 2.306 178.500 176.094 0.166 0.000 1.051 43 V CA 1.987 64.412 62.300 0.209 0.000 1.018 43 V CB -0.660 31.226 31.823 0.105 0.000 0.641 43 V HN 0.511 nan 8.190 nan 0.000 0.445 44 N N 0.103 118.871 118.700 0.114 0.000 2.084 44 N HA -0.189 4.501 4.740 -0.083 0.000 0.190 44 N C 1.846 177.418 175.510 0.103 0.000 1.030 44 N CA 1.648 54.755 53.050 0.095 0.000 0.849 44 N CB -0.356 38.161 38.487 0.050 0.000 1.012 44 N HN 0.601 nan 8.380 nan 0.000 0.423 45 E N 0.476 120.732 120.200 0.093 0.000 2.070 45 E HA -0.129 4.171 4.350 -0.083 0.000 0.197 45 E C 2.026 178.713 176.600 0.144 0.000 1.004 45 E CA 1.024 57.477 56.400 0.088 0.000 0.805 45 E CB 0.005 29.742 29.700 0.061 0.000 0.744 45 E HN 0.077 nan 8.360 nan 0.000 0.451 46 V N 0.936 120.955 119.914 0.174 0.000 2.358 46 V HA -0.233 3.837 4.120 -0.083 0.000 0.246 46 V C 2.275 178.495 176.094 0.210 0.000 1.047 46 V CA 2.109 64.523 62.300 0.190 0.000 1.035 46 V CB -0.658 31.249 31.823 0.141 0.000 0.658 46 V HN 0.346 nan 8.190 nan 0.000 0.452 47 T N -0.538 114.155 114.554 0.232 0.000 2.746 47 T HA -0.216 4.085 4.350 -0.083 0.000 0.267 47 T C 1.812 176.554 174.700 0.070 0.000 1.039 47 T CA 1.672 63.896 62.100 0.207 0.000 1.142 47 T CB -0.201 68.802 68.868 0.226 0.000 0.866 47 T HN 0.562 nan 8.240 nan 0.000 0.444 48 E N 0.146 120.399 120.200 0.089 0.000 2.072 48 E HA -0.073 4.227 4.350 -0.083 0.000 0.191 48 E C 1.891 178.540 176.600 0.082 0.000 0.985 48 E CA 0.676 57.105 56.400 0.049 0.000 0.801 48 E CB -0.210 29.520 29.700 0.050 0.000 0.750 48 E HN 0.342 nan 8.360 nan 0.000 0.452 49 F N 1.789 121.704 119.950 -0.057 0.000 2.120 49 F HA -0.200 4.278 4.527 -0.082 0.000 0.300 49 F C 2.078 177.808 175.800 -0.117 0.000 1.095 49 F CA 1.492 59.452 58.000 -0.068 0.000 1.249 49 F CB -0.897 38.078 39.000 -0.040 0.000 0.995 49 F HN -0.045 nan 8.300 nan 0.000 0.480 50 A N 0.273 123.011 122.820 -0.136 0.000 1.933 50 A HA -0.226 4.045 4.320 -0.083 0.000 0.218 50 A C 2.328 179.601 177.584 -0.519 0.000 1.175 50 A CA 1.827 53.626 52.037 -0.397 0.000 0.628 50 A CB -0.705 18.038 19.000 -0.429 0.000 0.814 50 A HN 0.458 nan 8.150 nan 0.000 0.444 51 K N -0.627 119.497 120.400 -0.460 0.000 2.148 51 K HA -0.108 4.163 4.320 -0.083 0.000 0.204 51 K C 2.218 178.668 176.600 -0.250 0.000 1.050 51 K CA 1.695 57.701 56.287 -0.469 0.000 0.942 51 K CB -0.296 32.025 32.500 -0.298 0.000 0.724 51 K HN 0.750 nan 8.250 nan 0.000 0.446 52 T N -1.623 112.869 114.554 -0.103 0.000 2.904 52 T HA -0.112 4.189 4.350 -0.083 0.000 0.267 52 T C 2.191 176.874 174.700 -0.029 0.000 1.059 52 T CA 0.998 63.083 62.100 -0.025 0.000 1.137 52 T CB -0.612 68.297 68.868 0.069 0.000 0.879 52 T HN 0.175 nan 8.240 nan 0.000 0.467 53 c N 1.032 119.595 118.600 -0.061 0.000 2.450 53 c HA 0.294 4.815 4.570 -0.083 0.000 0.279 53 c C 3.215 177.234 174.090 -0.117 0.000 1.335 53 c CA 0.291 56.573 56.329 -0.079 0.000 1.749 53 c CB -1.396 41.013 42.510 -0.167 0.000 1.963 53 c HN 0.649 nan 8.230 nan 0.000 0.501 54 V N 1.185 120.976 119.914 -0.205 0.000 2.287 54 V HA -0.122 3.948 4.120 -0.083 0.000 0.248 54 V C 2.596 178.625 176.094 -0.108 0.000 1.053 54 V CA 3.052 65.240 62.300 -0.186 0.000 1.027 54 V CB -1.156 30.492 31.823 -0.292 0.000 0.646 54 V HN 0.449 nan 8.190 nan 0.000 0.447 55 A N 0.360 123.119 122.820 -0.100 0.000 1.823 55 A HA 0.180 4.450 4.320 -0.083 0.000 0.214 55 A C 1.638 179.199 177.584 -0.038 0.000 1.225 55 A CA 1.628 53.628 52.037 -0.061 0.000 0.604 55 A CB -1.139 17.827 19.000 -0.056 0.000 0.878 55 A HN 1.114 nan 8.150 nan 0.000 0.450 56 D N 0.039 120.422 120.400 -0.027 0.000 2.500 56 D HA 0.468 5.058 4.640 -0.083 0.000 0.219 56 D C 0.117 176.417 176.300 0.000 0.000 1.137 56 D CA -0.007 53.988 54.000 -0.008 0.000 0.946 56 D CB -0.205 40.596 40.800 0.001 0.000 1.022 56 D HN 0.536 nan 8.370 nan 0.000 0.518 57 E N 0.493 120.690 120.200 -0.006 0.000 2.506 57 E HA 0.117 4.417 4.350 -0.083 0.000 0.210 57 E C 0.626 177.236 176.600 0.017 0.000 1.325 57 E CA 0.247 56.647 56.400 0.000 0.000 1.273 57 E CB -0.139 29.560 29.700 -0.003 0.000 1.276 57 E HN 0.428 nan 8.360 nan 0.000 0.442 58 S N -1.580 114.137 115.700 0.028 0.000 2.883 58 S HA 0.286 4.706 4.470 -0.083 0.000 0.227 58 S C 0.423 175.051 174.600 0.046 0.000 0.779 58 S CA 0.119 58.341 58.200 0.037 0.000 1.232 58 S CB -0.133 63.082 63.200 0.024 0.000 1.314 58 S HN 0.350 nan 8.310 nan 0.000 0.554 59 A N 1.924 124.781 122.820 0.062 0.000 3.164 59 A HA 0.401 4.671 4.320 -0.083 0.000 0.156 59 A C 1.814 179.438 177.584 0.067 0.000 1.114 59 A CA 1.584 53.659 52.037 0.063 0.000 0.992 59 A CB -1.524 17.528 19.000 0.087 0.000 0.925 59 A HN 0.863 nan 8.150 nan 0.000 0.541 60 E N -0.630 119.620 120.200 0.083 0.000 1.987 60 E HA -0.123 4.177 4.350 -0.083 0.000 0.200 60 E C 0.898 177.563 176.600 0.107 0.000 0.990 60 E CA 1.784 58.192 56.400 0.014 0.000 0.859 60 E CB -0.756 28.804 29.700 -0.233 0.000 0.805 60 E HN 0.695 nan 8.360 nan 0.000 0.499 61 N N -1.353 117.520 118.700 0.288 0.000 2.517 61 N HA 0.214 4.904 4.740 -0.083 0.000 0.285 61 N C 0.267 175.945 175.510 0.279 0.000 1.528 61 N CA 0.008 53.219 53.050 0.268 0.000 0.892 61 N CB 0.383 39.020 38.487 0.250 0.000 1.356 61 N HN 0.408 nan 8.380 nan 0.000 0.495 62 c N 0.451 119.185 118.600 0.223 0.000 2.443 62 c HA -0.074 4.446 4.570 -0.083 0.000 0.290 62 c C 2.162 176.269 174.090 0.029 0.000 1.476 62 c CA 0.595 56.952 56.329 0.046 0.000 1.772 62 c CB -0.873 41.660 42.510 0.037 0.000 1.714 62 c HN 0.605 nan 8.230 nan 0.000 0.562 63 D N 0.883 121.321 120.400 0.063 0.000 2.249 63 D HA -0.046 4.545 4.640 -0.083 0.000 0.205 63 D C 0.746 177.077 176.300 0.051 0.000 0.962 63 D CA 0.610 54.640 54.000 0.050 0.000 0.860 63 D CB -0.196 40.636 40.800 0.053 0.000 0.955 63 D HN 0.274 nan 8.370 nan 0.000 0.505 64 K N 0.936 121.376 120.400 0.066 0.000 2.286 64 K HA 0.148 4.418 4.320 -0.083 0.000 0.256 64 K C 0.539 177.176 176.600 0.062 0.000 0.999 64 K CA -0.074 56.258 56.287 0.075 0.000 0.908 64 K CB 0.675 33.237 32.500 0.102 0.000 0.981 64 K HN 0.183 nan 8.250 nan 0.000 0.500 65 S N 1.239 116.988 115.700 0.083 0.000 2.601 65 S HA 0.155 4.575 4.470 -0.083 0.000 0.271 65 S C 1.349 176.016 174.600 0.111 0.000 1.305 65 S CA -0.702 57.545 58.200 0.077 0.000 1.022 65 S CB 0.532 63.790 63.200 0.097 0.000 0.940 65 S HN 0.524 nan 8.310 nan 0.000 0.525 66 L N 0.746 122.019 121.223 0.083 0.000 2.043 66 L HA -0.185 4.105 4.340 -0.083 0.000 0.212 66 L C 2.705 179.835 176.870 0.433 0.000 1.075 66 L CA 1.573 56.566 54.840 0.254 0.000 0.752 66 L CB -0.975 41.141 42.059 0.096 0.000 0.891 66 L HN 0.768 nan 8.230 nan 0.000 0.432 67 H N -0.357 118.887 119.070 0.290 0.000 2.352 67 H HA -0.130 4.375 4.556 -0.084 0.000 0.299 67 H C 2.414 177.914 175.328 0.287 0.000 1.097 67 H CA 1.931 58.147 56.048 0.280 0.000 1.311 67 H CB -0.689 29.206 29.762 0.222 0.000 1.377 67 H HN 0.336 nan 8.280 nan 0.000 0.504 68 T N 1.342 116.102 114.554 0.342 0.000 2.622 68 T HA -0.168 4.132 4.350 -0.083 0.000 0.266 68 T C 2.801 177.634 174.700 0.223 0.000 1.047 68 T CA 2.124 64.371 62.100 0.245 0.000 1.159 68 T CB -0.993 67.983 68.868 0.179 0.000 0.863 68 T HN 0.320 nan 8.240 nan 0.000 0.422 69 L N 0.597 121.934 121.223 0.190 0.000 1.970 69 L HA 0.044 4.334 4.340 -0.083 0.000 0.212 69 L C 2.544 179.461 176.870 0.078 0.000 1.071 69 L CA 2.245 57.143 54.840 0.097 0.000 0.751 69 L CB -2.126 39.908 42.059 -0.042 0.000 0.889 69 L HN 0.366 nan 8.230 nan 0.000 0.432 70 F N 1.012 121.057 119.950 0.158 0.000 2.161 70 F HA -0.031 4.449 4.527 -0.079 0.000 0.300 70 F C 2.572 178.418 175.800 0.077 0.000 1.089 70 F CA 1.593 59.700 58.000 0.179 0.000 1.282 70 F CB -1.031 38.070 39.000 0.169 0.000 1.010 70 F HN 0.269 nan 8.300 nan 0.000 0.485 71 G N -0.337 108.658 108.800 0.326 0.000 2.421 71 G HA2 -0.213 3.697 3.960 -0.083 0.000 0.216 71 G HA3 -0.213 3.697 3.960 -0.083 0.000 0.216 71 G C 1.382 176.397 174.900 0.192 0.000 1.171 71 G CA 1.081 46.357 45.100 0.294 0.000 0.775 71 G HN 0.248 nan 8.290 nan 0.000 0.543 72 D N 0.793 121.283 120.400 0.151 0.000 2.178 72 D HA -0.033 4.558 4.640 -0.083 0.000 0.201 72 D C 2.725 179.046 176.300 0.035 0.000 0.980 72 D CA 1.620 55.677 54.000 0.094 0.000 0.842 72 D CB -0.042 40.812 40.800 0.089 0.000 0.948 72 D HN 0.495 nan 8.370 nan 0.000 0.472 73 K N 0.788 121.187 120.400 -0.001 0.000 2.228 73 K HA 0.039 4.309 4.320 -0.083 0.000 0.202 73 K C 2.226 178.713 176.600 -0.188 0.000 1.051 73 K CA 0.324 56.563 56.287 -0.081 0.000 0.960 73 K CB -0.783 31.670 32.500 -0.078 0.000 0.743 73 K HN 0.156 nan 8.250 nan 0.000 0.458 74 L N -0.384 120.711 121.223 -0.213 0.000 2.270 74 L HA -0.017 4.274 4.340 -0.083 0.000 0.210 74 L C 2.132 178.967 176.870 -0.059 0.000 1.104 74 L CA 0.279 54.972 54.840 -0.245 0.000 0.804 74 L CB 0.006 41.867 42.059 -0.330 0.000 0.937 74 L HN 0.363 nan 8.230 nan 0.000 0.450 75 c N -0.066 118.553 118.600 0.030 0.000 2.511 75 c HA -0.037 4.483 4.570 -0.083 0.000 0.277 75 c C 2.432 176.534 174.090 0.020 0.000 1.451 75 c CA 1.127 57.501 56.329 0.075 0.000 1.735 75 c CB -1.508 41.070 42.510 0.114 0.000 1.704 75 c HN 0.599 nan 8.230 nan 0.000 0.571 76 T N -2.629 111.914 114.554 -0.019 0.000 3.122 76 T HA 0.172 4.472 4.350 -0.083 0.000 0.250 76 T C 0.756 175.430 174.700 -0.042 0.000 1.067 76 T CA 0.895 62.978 62.100 -0.029 0.000 0.966 76 T CB -0.122 68.723 68.868 -0.039 0.000 1.002 76 T HN 0.487 nan 8.240 nan 0.000 0.542 77 V N -3.523 116.364 119.914 -0.045 0.000 3.544 77 V HA 0.807 4.877 4.120 -0.083 0.000 0.298 77 V C 0.576 176.652 176.094 -0.031 0.000 1.580 77 V CA -0.506 61.761 62.300 -0.055 0.000 1.122 77 V CB -0.552 31.211 31.823 -0.100 0.000 0.951 77 V HN 0.518 nan 8.190 nan 0.000 0.448 89 D N 0.955 121.295 120.400 -0.101 0.000 2.182 89 D HA -0.172 4.418 4.640 -0.083 0.000 0.201 89 D C 1.821 178.033 176.300 -0.147 0.000 0.986 89 D CA 1.809 55.748 54.000 -0.102 0.000 0.847 89 D CB -1.049 39.696 40.800 -0.092 0.000 0.942 89 D HN 0.393 nan 8.370 nan 0.000 0.467 90 c N 0.469 118.927 118.600 -0.236 0.000 2.429 90 c HA -0.115 4.406 4.570 -0.083 0.000 0.277 90 c C 3.066 176.978 174.090 -0.297 0.000 1.262 90 c CA 0.708 56.811 56.329 -0.377 0.000 1.733 90 c CB -1.092 41.008 42.510 -0.683 0.000 2.010 90 c HN 0.522 nan 8.230 nan 0.000 0.483 91 c N 0.808 119.310 118.600 -0.164 0.000 2.472 91 c HA 0.114 4.634 4.570 -0.083 0.000 0.278 91 c C 2.769 176.841 174.090 -0.030 0.000 1.447 91 c CA 0.742 57.047 56.329 -0.040 0.000 1.773 91 c CB -1.735 40.796 42.510 0.035 0.000 1.793 91 c HN 0.712 nan 8.230 nan 0.000 0.544 92 A N 0.632 123.419 122.820 -0.055 0.000 2.072 92 A HA 0.257 4.528 4.320 -0.083 0.000 0.216 92 A C 1.496 179.061 177.584 -0.032 0.000 1.156 92 A CA 1.396 53.412 52.037 -0.035 0.000 0.701 92 A CB -0.325 18.652 19.000 -0.039 0.000 0.816 92 A HN 0.577 nan 8.150 nan 0.000 0.458 93 K N -1.410 118.958 120.400 -0.054 0.000 2.155 93 K HA 0.639 4.910 4.320 -0.083 0.000 0.237 93 K C 0.093 176.686 176.600 -0.013 0.000 1.040 93 K CA 0.338 56.600 56.287 -0.041 0.000 0.912 93 K CB -0.478 31.980 32.500 -0.071 0.000 1.137 93 K HN 1.084 nan 8.250 nan 0.000 0.498 94 Q N -1.522 118.279 119.800 0.002 0.000 2.496 94 Q HA 0.625 4.915 4.340 -0.083 0.000 0.286 94 Q C 1.381 177.409 176.000 0.047 0.000 1.103 94 Q CA 1.178 57.000 55.803 0.031 0.000 0.813 94 Q CB -0.123 28.634 28.738 0.032 0.000 1.444 94 Q HN 1.992 nan 8.270 nan 0.000 0.443 95 E N 0.387 120.633 120.200 0.077 0.000 2.914 95 E HA -0.329 3.971 4.350 -0.083 0.000 0.218 95 E C -0.117 176.536 176.600 0.088 0.000 0.897 95 E CA 2.843 59.304 56.400 0.101 0.000 1.465 95 E CB -3.055 26.701 29.700 0.094 0.000 1.468 95 E HN 0.853 nan 8.360 nan 0.000 0.462 96 P HA 0.027 nan 4.420 nan 0.000 0.214 96 P C 1.730 179.044 177.300 0.023 0.000 1.162 96 P CA 3.020 66.151 63.100 0.051 0.000 0.871 96 P CB -0.450 31.280 31.700 0.049 0.000 0.783 97 E N 0.616 120.822 120.200 0.009 0.000 2.130 97 E HA -0.276 4.025 4.350 -0.083 0.000 0.196 97 E C 2.397 178.963 176.600 -0.057 0.000 0.998 97 E CA 2.670 59.058 56.400 -0.019 0.000 0.806 97 E CB -1.792 27.896 29.700 -0.020 0.000 0.738 97 E HN 0.379 nan 8.360 nan 0.000 0.459 98 R N 1.073 121.544 120.500 -0.049 0.000 2.073 98 R HA -0.080 4.210 4.340 -0.083 0.000 0.234 98 R C 2.236 178.461 176.300 -0.126 0.000 1.134 98 R CA 1.906 57.936 56.100 -0.117 0.000 0.952 98 R CB -1.622 28.671 30.300 -0.011 0.000 0.850 98 R HN 0.724 nan 8.270 nan 0.000 0.433 99 N N -0.236 118.486 118.700 0.036 0.000 2.084 99 N HA -0.176 4.515 4.740 -0.083 0.000 0.190 99 N C 1.463 176.968 175.510 -0.008 0.000 1.030 99 N CA 1.384 54.500 53.050 0.111 0.000 0.849 99 N CB -0.001 38.426 38.487 -0.099 0.000 1.012 99 N HN 0.486 nan 8.380 nan 0.000 0.423 100 E N 0.853 121.020 120.200 -0.054 0.000 2.118 100 E HA -0.183 4.118 4.350 -0.083 0.000 0.195 100 E C 2.127 178.673 176.600 -0.089 0.000 0.992 100 E CA 0.393 56.751 56.400 -0.071 0.000 0.804 100 E CB -1.024 28.658 29.700 -0.030 0.000 0.741 100 E HN 0.451 nan 8.360 nan 0.000 0.458 101 c N 0.279 118.803 118.600 -0.125 0.000 2.393 101 c HA -0.197 4.324 4.570 -0.083 0.000 0.276 101 c C 2.558 176.625 174.090 -0.039 0.000 1.215 101 c CA 0.697 56.952 56.329 -0.124 0.000 1.743 101 c CB -1.347 40.976 42.510 -0.311 0.000 2.044 101 c HN 0.301 nan 8.230 nan 0.000 0.464 102 F N 1.057 120.963 119.950 -0.073 0.000 2.095 102 F HA -0.069 4.407 4.527 -0.085 0.000 0.298 102 F C 2.248 177.811 175.800 -0.394 0.000 1.104 102 F CA 1.525 59.370 58.000 -0.259 0.000 1.232 102 F CB -1.067 37.632 39.000 -0.502 0.000 0.987 102 F HN 0.193 nan 8.300 nan 0.000 0.475 103 L N -0.698 120.394 121.223 -0.218 0.000 2.042 103 L HA -0.288 4.002 4.340 -0.083 0.000 0.210 103 L C 2.539 179.328 176.870 -0.134 0.000 1.076 103 L CA 1.511 56.204 54.840 -0.245 0.000 0.749 103 L CB -1.008 40.918 42.059 -0.223 0.000 0.893 103 L HN 0.062 nan 8.230 nan 0.000 0.432 104 Q N -1.661 118.063 119.800 -0.125 0.000 2.436 104 Q HA -0.165 4.125 4.340 -0.083 0.000 0.209 104 Q C 1.474 177.279 176.000 -0.324 0.000 0.965 104 Q CA 0.928 56.612 55.803 -0.199 0.000 0.910 104 Q CB -0.424 28.161 28.738 -0.255 0.000 0.980 104 Q HN 0.695 nan 8.270 nan 0.000 0.491 105 H N -0.911 118.115 119.070 -0.074 0.000 2.586 105 H HA 0.283 4.790 4.556 -0.082 0.000 0.273 105 H C 0.224 175.525 175.328 -0.044 0.000 0.997 105 H CA -0.193 55.827 56.048 -0.046 0.000 1.177 105 H CB 0.431 30.175 29.762 -0.031 0.000 1.471 105 H HN 0.171 nan 8.280 nan 0.000 0.538 106 K N 1.375 121.764 120.400 -0.017 0.000 2.414 106 K HA 0.009 4.279 4.320 -0.083 0.000 0.272 106 K C -0.432 176.180 176.600 0.020 0.000 0.993 106 K CA 0.253 56.506 56.287 -0.056 0.000 0.964 106 K CB 0.456 32.838 32.500 -0.197 0.000 0.925 106 K HN 0.114 nan 8.250 nan 0.000 0.487 107 D N 1.530 121.943 120.400 0.021 0.000 2.471 107 D HA 0.094 4.685 4.640 -0.083 0.000 0.245 107 D C -0.017 176.319 176.300 0.059 0.000 1.116 107 D CA -0.378 53.647 54.000 0.042 0.000 0.853 107 D CB 1.026 41.840 40.800 0.023 0.000 1.123 107 D HN 0.360 nan 8.370 nan 0.000 0.540 108 D N 2.439 122.902 120.400 0.104 0.000 2.310 108 D HA -0.103 4.487 4.640 -0.083 0.000 0.212 108 D C 0.149 176.470 176.300 0.035 0.000 0.965 108 D CA 0.719 54.787 54.000 0.112 0.000 0.879 108 D CB 0.313 41.175 40.800 0.104 0.000 0.921 108 D HN 0.483 nan 8.370 nan 0.000 0.510 109 N N 0.622 119.329 118.700 0.011 0.000 2.672 109 N HA 0.104 4.794 4.740 -0.083 0.000 0.295 109 N C -2.701 172.795 175.510 -0.023 0.000 1.924 109 N CA -1.176 51.865 53.050 -0.014 0.000 0.851 109 N CB 1.210 39.694 38.487 -0.005 0.000 1.281 109 N HN -0.120 nan 8.380 nan 0.000 0.494 110 P HA -0.047 nan 4.420 nan 0.000 0.264 110 P C -0.438 176.841 177.300 -0.035 0.000 1.183 110 P CA 0.045 63.124 63.100 -0.035 0.000 0.763 110 P CB 0.685 32.352 31.700 -0.056 0.000 0.807 111 N N 3.398 122.086 118.700 -0.020 0.000 3.210 111 N HA 0.072 4.762 4.740 -0.083 0.000 0.314 111 N C -0.351 175.148 175.510 -0.019 0.000 1.291 111 N CA 0.127 53.167 53.050 -0.016 0.000 1.202 111 N CB -1.054 37.430 38.487 -0.006 0.000 1.475 111 N HN 0.371 nan 8.380 nan 0.000 0.554 112 L N 1.430 122.633 121.223 -0.034 0.000 2.343 112 L HA 0.516 4.807 4.340 -0.083 0.000 0.275 112 L C -1.474 175.378 176.870 -0.031 0.000 1.056 112 L CA -1.851 52.968 54.840 -0.036 0.000 0.804 112 L CB 1.049 43.069 42.059 -0.066 0.000 1.203 112 L HN 0.231 nan 8.230 nan 0.000 0.440 113 P HA 0.142 nan 4.420 nan 0.000 0.271 113 P C -0.277 177.012 177.300 -0.019 0.000 1.216 113 P CA -0.369 62.724 63.100 -0.012 0.000 0.771 113 P CB 0.494 32.194 31.700 -0.000 0.000 0.864 114 R N 1.242 121.733 120.500 -0.014 0.000 2.619 114 R HA 0.348 4.639 4.340 -0.083 0.000 0.268 114 R C 0.404 176.699 176.300 -0.009 0.000 0.990 114 R CA 0.639 56.731 56.100 -0.013 0.000 1.092 114 R CB -1.370 28.928 30.300 -0.003 0.000 0.935 114 R HN 0.704 nan 8.270 nan 0.000 0.415 115 L N 2.612 123.828 121.223 -0.012 0.000 2.260 115 L HA 0.706 4.996 4.340 -0.083 0.000 0.289 115 L C 0.492 177.371 176.870 0.016 0.000 1.057 115 L CA -0.623 54.213 54.840 -0.006 0.000 0.811 115 L CB 0.866 42.911 42.059 -0.024 0.000 1.184 115 L HN 1.041 nan 8.230 nan 0.000 0.429 116 V N 4.662 124.590 119.914 0.023 0.000 2.630 116 V HA 0.894 4.965 4.120 -0.083 0.000 0.305 116 V C -0.119 176.006 176.094 0.052 0.000 1.046 116 V CA -0.923 61.398 62.300 0.036 0.000 0.934 116 V CB 1.866 33.708 31.823 0.032 0.000 1.003 116 V HN 1.187 nan 8.190 nan 0.000 0.451 117 R N 5.750 126.291 120.500 0.067 0.000 2.294 117 R HA 0.646 4.936 4.340 -0.083 0.000 0.319 117 R C -2.834 173.521 176.300 0.092 0.000 0.984 117 R CA -2.066 54.092 56.100 0.096 0.000 0.861 117 R CB -0.014 30.358 30.300 0.120 0.000 1.104 117 R HN 0.530 nan 8.270 nan 0.000 0.451 118 P HA 0.041 nan 4.420 nan 0.000 0.271 118 P C -0.552 176.804 177.300 0.093 0.000 1.244 118 P CA -0.346 62.810 63.100 0.093 0.000 0.793 118 P CB 0.377 32.140 31.700 0.106 0.000 0.984 119 E N -0.576 119.667 120.200 0.073 0.000 2.415 119 E HA -0.024 4.276 4.350 -0.083 0.000 0.262 119 E C 1.658 178.304 176.600 0.076 0.000 1.038 119 E CA -0.131 56.306 56.400 0.061 0.000 0.921 119 E CB 0.169 29.896 29.700 0.046 0.000 0.950 119 E HN 0.244 nan 8.360 nan 0.000 0.438 120 V N 1.842 121.792 119.914 0.060 0.000 2.311 120 V HA -0.391 3.679 4.120 -0.083 0.000 0.256 120 V C 2.608 178.746 176.094 0.072 0.000 1.077 120 V CA 2.829 65.164 62.300 0.059 0.000 1.067 120 V CB -1.559 30.272 31.823 0.013 0.000 0.659 120 V HN 1.011 nan 8.190 nan 0.000 0.451 121 D N -0.609 119.824 120.400 0.056 0.000 2.123 121 D HA -0.179 4.411 4.640 -0.083 0.000 0.196 121 D C 2.087 178.424 176.300 0.061 0.000 0.992 121 D CA 1.981 56.014 54.000 0.055 0.000 0.833 121 D CB -0.530 40.297 40.800 0.044 0.000 0.954 121 D HN 0.336 nan 8.370 nan 0.000 0.455 122 V N 0.375 120.331 119.914 0.070 0.000 2.358 122 V HA -0.240 3.830 4.120 -0.083 0.000 0.246 122 V C 2.848 178.988 176.094 0.076 0.000 1.047 122 V CA 1.970 64.313 62.300 0.071 0.000 1.035 122 V CB -0.564 31.308 31.823 0.082 0.000 0.658 122 V HN 0.523 nan 8.190 nan 0.000 0.452 123 M N -0.695 118.984 119.600 0.132 0.000 2.067 123 M HA -0.219 4.211 4.480 -0.083 0.000 0.260 123 M C 2.434 178.685 176.300 -0.082 0.000 1.069 123 M CA 2.002 57.402 55.300 0.167 0.000 1.117 123 M CB -0.896 31.981 32.600 0.461 0.000 1.334 123 M HN 0.377 nan 8.290 nan 0.000 0.407 124 c N 0.188 118.811 118.600 0.038 0.000 2.422 124 c HA -0.117 4.404 4.570 -0.083 0.000 0.279 124 c C 2.902 176.934 174.090 -0.097 0.000 1.305 124 c CA 1.332 57.640 56.329 -0.034 0.000 1.757 124 c CB -1.158 41.375 42.510 0.038 0.000 1.962 124 c HN 0.581 nan 8.230 nan 0.000 0.499 125 T N 0.935 115.472 114.554 -0.028 0.000 2.770 125 T HA -0.060 4.240 4.350 -0.083 0.000 0.263 125 T C 2.159 176.811 174.700 -0.081 0.000 1.039 125 T CA 1.536 63.638 62.100 0.003 0.000 1.142 125 T CB -0.358 68.524 68.868 0.024 0.000 0.868 125 T HN 0.619 nan 8.240 nan 0.000 0.435 126 A N 0.949 123.677 122.820 -0.153 0.000 1.972 126 A HA -0.001 4.269 4.320 -0.083 0.000 0.219 126 A C 1.986 179.298 177.584 -0.454 0.000 1.169 126 A CA 1.205 53.127 52.037 -0.191 0.000 0.635 126 A CB -0.831 18.139 19.000 -0.049 0.000 0.810 126 A HN 0.484 nan 8.150 nan 0.000 0.446 127 F N 0.249 119.574 119.950 -1.043 0.000 2.084 127 F HA -0.128 4.350 4.527 -0.082 0.000 0.296 127 F C 2.391 177.935 175.800 -0.427 0.000 1.111 127 F CA 1.999 59.320 58.000 -1.131 0.000 1.224 127 F CB -0.517 37.697 39.000 -1.308 0.000 0.991 127 F HN 0.331 nan 8.300 nan 0.000 0.471 128 H N -0.139 118.651 119.070 -0.465 0.000 2.321 128 H HA -0.127 4.380 4.556 -0.082 0.000 0.300 128 H C 1.875 177.021 175.328 -0.303 0.000 1.087 128 H CA 1.748 57.548 56.048 -0.414 0.000 1.319 128 H CB -0.850 28.813 29.762 -0.165 0.000 1.379 128 H HN 0.380 nan 8.280 nan 0.000 0.501 129 D N 0.287 120.640 120.400 -0.078 0.000 2.106 129 D HA -0.142 4.448 4.640 -0.083 0.000 0.194 129 D C 0.612 176.861 176.300 -0.085 0.000 0.988 129 D CA 1.034 54.995 54.000 -0.064 0.000 0.845 129 D CB 0.029 40.807 40.800 -0.036 0.000 0.990 129 D HN 0.055 nan 8.370 nan 0.000 0.448 130 N N -0.194 118.456 118.700 -0.084 0.000 2.524 130 N HA 0.079 4.769 4.740 -0.083 0.000 0.261 130 N C -0.209 175.270 175.510 -0.051 0.000 0.998 130 N CA -0.126 52.898 53.050 -0.042 0.000 0.915 130 N CB 1.454 39.956 38.487 0.025 0.000 1.187 130 N HN 0.246 nan 8.380 nan 0.000 0.507 131 E N 2.361 122.496 120.200 -0.109 0.000 2.051 131 E HA -0.103 4.197 4.350 -0.083 0.000 0.189 131 E C 1.044 177.696 176.600 0.087 0.000 0.979 131 E CA 0.714 57.052 56.400 -0.103 0.000 0.803 131 E CB 0.189 29.752 29.700 -0.230 0.000 0.761 131 E HN 0.709 nan 8.360 nan 0.000 0.451 132 E N -0.354 119.886 120.200 0.067 0.000 2.077 132 E HA -0.172 4.128 4.350 -0.083 0.000 0.193 132 E C 1.761 178.446 176.600 0.142 0.000 0.989 132 E CA 1.678 58.138 56.400 0.100 0.000 0.800 132 E CB 0.069 29.815 29.700 0.077 0.000 0.746 132 E HN 0.193 nan 8.360 nan 0.000 0.452 133 T N 0.443 115.088 114.554 0.152 0.000 2.737 133 T HA -0.132 4.168 4.350 -0.083 0.000 0.265 133 T C 1.365 176.153 174.700 0.148 0.000 1.038 133 T CA 1.112 63.327 62.100 0.192 0.000 1.144 133 T CB -0.460 68.519 68.868 0.185 0.000 0.866 133 T HN 0.216 nan 8.240 nan 0.000 0.434 134 F N 1.663 121.612 119.950 -0.002 0.000 2.126 134 F HA -0.146 4.334 4.527 -0.080 0.000 0.299 134 F C 2.295 178.080 175.800 -0.026 0.000 1.096 134 F CA 0.887 58.864 58.000 -0.039 0.000 1.255 134 F CB -0.529 38.463 39.000 -0.013 0.000 0.997 134 F HN -0.053 nan 8.300 nan 0.000 0.479 135 L N -0.981 120.314 121.223 0.121 0.000 2.131 135 L HA -0.108 4.182 4.340 -0.083 0.000 0.206 135 L C 2.555 179.456 176.870 0.051 0.000 1.087 135 L CA 1.555 56.429 54.840 0.057 0.000 0.767 135 L CB -1.471 40.668 42.059 0.132 0.000 0.917 135 L HN 0.108 nan 8.230 nan 0.000 0.441 136 K N -0.217 120.234 120.400 0.085 0.000 2.283 136 K HA -0.137 4.134 4.320 -0.083 0.000 0.202 136 K C 2.441 179.069 176.600 0.047 0.000 1.048 136 K CA 1.223 57.601 56.287 0.151 0.000 0.948 136 K CB -0.336 32.354 32.500 0.316 0.000 0.742 136 K HN 0.815 nan 8.250 nan 0.000 0.458 137 K N -1.245 118.998 120.400 -0.262 0.000 2.243 137 K HA 0.021 4.291 4.320 -0.083 0.000 0.201 137 K C 1.962 178.403 176.600 -0.266 0.000 1.051 137 K CA 1.011 56.974 56.287 -0.540 0.000 0.970 137 K CB -1.106 30.948 32.500 -0.742 0.000 0.755 137 K HN 0.620 nan 8.250 nan 0.000 0.465 138 Y N 1.757 121.831 120.300 -0.377 0.000 2.163 138 Y HA 0.107 4.607 4.550 -0.083 0.000 0.288 138 Y C 1.974 177.689 175.900 -0.308 0.000 1.136 138 Y CA 1.485 59.333 58.100 -0.419 0.000 1.147 138 Y CB -0.300 37.837 38.460 -0.539 0.000 0.987 138 Y HN 0.029 nan 8.280 nan 0.000 0.509 139 L N -0.699 120.382 121.223 -0.236 0.000 2.012 139 L HA -0.274 4.016 4.340 -0.083 0.000 0.210 139 L C 2.460 179.179 176.870 -0.252 0.000 1.073 139 L CA 2.123 56.803 54.840 -0.266 0.000 0.748 139 L CB -1.059 40.980 42.059 -0.034 0.000 0.891 139 L HN 0.385 nan 8.230 nan 0.000 0.431 140 Y N 1.201 121.376 120.300 -0.208 0.000 2.128 140 Y HA -0.249 4.255 4.550 -0.077 0.000 0.284 140 Y C 2.584 178.365 175.900 -0.198 0.000 1.154 140 Y CA 1.643 59.668 58.100 -0.126 0.000 1.149 140 Y CB -0.149 38.344 38.460 0.054 0.000 0.976 140 Y HN 0.144 nan 8.280 nan 0.000 0.505 141 E N -0.062 119.889 120.200 -0.415 0.000 2.268 141 E HA -0.135 4.165 4.350 -0.083 0.000 0.195 141 E C 2.138 178.457 176.600 -0.467 0.000 0.995 141 E CA 0.902 57.013 56.400 -0.481 0.000 0.836 141 E CB 0.045 29.562 29.700 -0.305 0.000 0.763 141 E HN 0.520 nan 8.360 nan 0.000 0.491 142 I N 0.716 120.959 120.570 -0.546 0.000 2.385 142 I HA -0.058 4.062 4.170 -0.083 0.000 0.244 142 I C 2.452 178.379 176.117 -0.316 0.000 1.089 142 I CA 0.746 61.761 61.300 -0.475 0.000 1.410 142 I CB -1.515 35.994 38.000 -0.817 0.000 1.117 142 I HN -0.083 nan 8.210 nan 0.000 0.429 143 A N 2.006 124.613 122.820 -0.355 0.000 1.986 143 A HA -0.231 4.039 4.320 -0.083 0.000 0.220 143 A C 2.365 179.831 177.584 -0.197 0.000 1.171 143 A CA 1.995 53.901 52.037 -0.218 0.000 0.640 143 A CB -0.711 18.173 19.000 -0.194 0.000 0.811 143 A HN 0.576 nan 8.150 nan 0.000 0.451 144 R N -1.148 119.159 120.500 -0.321 0.000 2.153 144 R HA 0.069 4.360 4.340 -0.083 0.000 0.218 144 R C 1.919 178.076 176.300 -0.238 0.000 1.072 144 R CA 1.081 57.003 56.100 -0.297 0.000 0.990 144 R CB -0.268 29.750 30.300 -0.471 0.000 0.889 144 R HN 0.416 nan 8.270 nan 0.000 0.452 145 R N -0.124 120.206 120.500 -0.284 0.000 2.210 145 R HA 0.106 4.397 4.340 -0.083 0.000 0.203 145 R C 0.108 176.123 176.300 -0.474 0.000 1.010 145 R CA 0.498 56.376 56.100 -0.370 0.000 1.008 145 R CB 0.321 30.350 30.300 -0.452 0.000 0.923 145 R HN 0.338 nan 8.270 nan 0.000 0.469 146 H N 0.618 119.665 119.070 -0.037 0.000 2.348 146 H HA 0.170 4.676 4.556 -0.084 0.000 0.232 146 H C -1.946 173.428 175.328 0.077 0.000 1.419 146 H CA -1.960 54.139 56.048 0.084 0.000 1.416 146 H CB 1.272 31.154 29.762 0.201 0.000 1.510 146 H HN 0.039 nan 8.280 nan 0.000 0.507 147 P HA -0.162 nan 4.420 nan 0.000 0.229 147 P C 0.281 177.426 177.300 -0.259 0.000 1.150 147 P CA 1.205 64.231 63.100 -0.123 0.000 0.765 147 P CB 0.052 31.610 31.700 -0.238 0.000 0.783 148 Y N -2.883 117.512 120.300 0.157 0.000 2.557 148 Y HA 0.294 4.799 4.550 -0.075 0.000 0.247 148 Y C 0.997 177.010 175.900 0.188 0.000 1.164 148 Y CA -1.046 57.140 58.100 0.144 0.000 1.218 148 Y CB -0.383 38.129 38.460 0.086 0.000 1.210 148 Y HN -0.225 nan 8.280 nan 0.000 0.529 149 F N 0.980 121.043 119.950 0.189 0.000 2.607 149 F HA -0.080 4.432 4.527 -0.025 0.000 0.374 149 F C 0.427 176.363 175.800 0.227 0.000 1.104 149 F CA -0.654 57.439 58.000 0.156 0.000 1.296 149 F CB 0.259 39.294 39.000 0.058 0.000 1.085 149 F HN 0.089 nan 8.300 nan 0.000 0.584 150 Y N 7.486 127.818 120.300 0.054 0.000 2.683 150 Y HA 0.238 4.743 4.550 -0.074 0.000 0.355 150 Y C 1.096 177.185 175.900 0.316 0.000 1.199 150 Y CA -0.654 57.537 58.100 0.152 0.000 1.654 150 Y CB -0.275 38.221 38.460 0.061 0.000 1.361 150 Y HN 0.757 nan 8.280 nan 0.000 0.493 151 A N 7.151 130.119 122.820 0.246 0.000 1.906 151 A HA -0.281 3.989 4.320 -0.083 0.000 0.222 151 A C -0.235 177.336 177.584 -0.022 0.000 1.282 151 A CA 2.345 54.437 52.037 0.093 0.000 0.675 151 A CB -1.904 17.100 19.000 0.007 0.000 0.838 151 A HN 0.637 nan 8.150 nan 0.000 0.469 152 P HA -0.152 nan 4.420 nan 0.000 0.216 152 P C 1.316 178.562 177.300 -0.090 0.000 1.150 152 P CA 1.438 64.389 63.100 -0.248 0.000 0.843 152 P CB -0.052 31.368 31.700 -0.467 0.000 0.787 153 E N -1.011 119.142 120.200 -0.078 0.000 2.208 153 E HA -0.093 4.207 4.350 -0.083 0.000 0.193 153 E C 1.823 178.822 176.600 0.664 0.000 0.988 153 E CA 0.542 57.131 56.400 0.315 0.000 0.828 153 E CB -0.766 29.227 29.700 0.487 0.000 0.763 153 E HN 0.162 nan 8.360 nan 0.000 0.478 154 L N 0.683 122.261 121.223 0.592 0.000 2.141 154 L HA -0.098 4.192 4.340 -0.083 0.000 0.209 154 L C 2.096 179.148 176.870 0.303 0.000 1.094 154 L CA 1.249 56.340 54.840 0.419 0.000 0.763 154 L CB -0.434 41.670 42.059 0.075 0.000 0.908 154 L HN 0.078 nan 8.230 nan 0.000 0.437 155 L N -1.920 119.435 121.223 0.219 0.000 2.201 155 L HA -0.196 4.095 4.340 -0.083 0.000 0.212 155 L C 2.353 179.333 176.870 0.183 0.000 1.105 155 L CA 1.014 55.946 54.840 0.154 0.000 0.775 155 L CB -0.552 41.562 42.059 0.090 0.000 0.913 155 L HN 0.325 nan 8.230 nan 0.000 0.440 156 F N 0.196 120.187 119.950 0.068 0.000 2.163 156 F HA -0.164 4.310 4.527 -0.089 0.000 0.297 156 F C 2.050 177.809 175.800 -0.068 0.000 1.094 156 F CA 1.236 59.202 58.000 -0.056 0.000 1.290 156 F CB -0.316 38.579 39.000 -0.176 0.000 1.017 156 F HN -0.124 nan 8.300 nan 0.000 0.483 157 F N 0.658 120.605 119.950 -0.005 0.000 2.186 157 F HA -0.071 4.406 4.527 -0.083 0.000 0.299 157 F C 2.615 178.366 175.800 -0.081 0.000 1.090 157 F CA 1.273 59.231 58.000 -0.070 0.000 1.307 157 F CB -1.302 37.811 39.000 0.189 0.000 1.019 157 F HN 0.088 nan 8.300 nan 0.000 0.489 158 A N 0.617 123.546 122.820 0.182 0.000 1.873 158 A HA -0.277 3.993 4.320 -0.083 0.000 0.218 158 A C 2.378 179.953 177.584 -0.015 0.000 1.193 158 A CA 2.966 55.040 52.037 0.061 0.000 0.629 158 A CB -1.390 17.685 19.000 0.124 0.000 0.826 158 A HN 0.315 nan 8.150 nan 0.000 0.447 159 K N 0.059 120.430 120.400 -0.050 0.000 2.103 159 K HA -0.155 4.115 4.320 -0.083 0.000 0.207 159 K C 2.083 178.605 176.600 -0.130 0.000 1.048 159 K CA 1.684 57.929 56.287 -0.070 0.000 0.930 159 K CB -0.736 31.716 32.500 -0.079 0.000 0.716 159 K HN 0.698 nan 8.250 nan 0.000 0.444 160 R N -1.841 118.495 120.500 -0.272 0.000 2.148 160 R HA -0.012 4.278 4.340 -0.083 0.000 0.227 160 R C 2.179 178.388 176.300 -0.153 0.000 1.103 160 R CA 1.193 57.127 56.100 -0.276 0.000 0.983 160 R CB -0.350 29.671 30.300 -0.465 0.000 0.874 160 R HN 0.599 nan 8.270 nan 0.000 0.451 161 Y N 1.631 121.798 120.300 -0.221 0.000 2.220 161 Y HA -0.137 4.362 4.550 -0.085 0.000 0.291 161 Y C 2.505 178.369 175.900 -0.061 0.000 1.129 161 Y CA 1.428 59.406 58.100 -0.204 0.000 1.161 161 Y CB 0.081 38.229 38.460 -0.519 0.000 0.997 161 Y HN -0.122 nan 8.280 nan 0.000 0.522 162 K N -0.328 120.122 120.400 0.083 0.000 2.057 162 K HA -0.178 4.092 4.320 -0.083 0.000 0.207 162 K C 2.178 178.806 176.600 0.046 0.000 1.049 162 K CA 1.085 57.439 56.287 0.112 0.000 0.931 162 K CB -0.258 32.336 32.500 0.155 0.000 0.714 162 K HN 0.309 nan 8.250 nan 0.000 0.440 163 A N 0.854 123.668 122.820 -0.010 0.000 2.015 163 A HA -0.074 4.196 4.320 -0.083 0.000 0.219 163 A C 2.190 179.712 177.584 -0.105 0.000 1.163 163 A CA 1.648 53.663 52.037 -0.037 0.000 0.646 163 A CB -0.483 18.479 19.000 -0.064 0.000 0.806 163 A HN 0.434 nan 8.150 nan 0.000 0.448 164 A N -0.643 122.065 122.820 -0.187 0.000 1.845 164 A HA 0.021 4.291 4.320 -0.083 0.000 0.215 164 A C 1.945 179.295 177.584 -0.391 0.000 1.195 164 A CA 1.531 53.369 52.037 -0.333 0.000 0.616 164 A CB -0.793 17.887 19.000 -0.533 0.000 0.832 164 A HN 0.447 nan 8.150 nan 0.000 0.443 165 F N 0.478 120.148 119.950 -0.468 0.000 2.084 165 F HA -0.131 4.345 4.527 -0.085 0.000 0.296 165 F C 2.836 178.362 175.800 -0.456 0.000 1.111 165 F CA 1.913 59.509 58.000 -0.674 0.000 1.224 165 F CB -1.044 37.077 39.000 -1.465 0.000 0.991 165 F HN 0.120 nan 8.300 nan 0.000 0.471 166 T N -0.745 113.754 114.554 -0.093 0.000 2.760 166 T HA -0.274 4.027 4.350 -0.083 0.000 0.269 166 T C 1.854 176.636 174.700 0.137 0.000 1.047 166 T CA 1.852 64.106 62.100 0.257 0.000 1.139 166 T CB -0.286 68.755 68.868 0.288 0.000 0.855 166 T HN 0.386 nan 8.240 nan 0.000 0.471 167 E N -0.720 119.488 120.200 0.013 0.000 2.075 167 E HA -0.047 4.254 4.350 -0.083 0.000 0.190 167 E C 2.181 178.762 176.600 -0.031 0.000 0.969 167 E CA 0.575 56.972 56.400 -0.006 0.000 0.815 167 E CB -0.024 29.650 29.700 -0.043 0.000 0.776 167 E HN 0.426 nan 8.360 nan 0.000 0.457 168 c N 0.484 119.021 118.600 -0.104 0.000 2.450 168 c HA -0.019 4.502 4.570 -0.083 0.000 0.279 168 c C 2.623 176.675 174.090 -0.063 0.000 1.335 168 c CA 0.083 56.340 56.329 -0.120 0.000 1.749 168 c CB -0.812 41.558 42.510 -0.233 0.000 1.963 168 c HN 0.619 nan 8.230 nan 0.000 0.501 169 c N 1.104 119.690 118.600 -0.023 0.000 2.466 169 c HA -0.023 4.497 4.570 -0.083 0.000 0.283 169 c C 2.145 176.327 174.090 0.154 0.000 1.472 169 c CA 1.107 57.477 56.329 0.068 0.000 1.765 169 c CB -1.863 40.691 42.510 0.072 0.000 1.724 169 c HN 0.839 nan 8.230 nan 0.000 0.560 170 Q N -1.177 118.694 119.800 0.119 0.000 2.233 170 Q HA 0.745 5.035 4.340 -0.083 0.000 0.340 170 Q C -0.260 175.768 176.000 0.047 0.000 0.899 170 Q CA 0.327 56.190 55.803 0.101 0.000 1.139 170 Q CB -0.211 28.592 28.738 0.109 0.000 1.273 170 Q HN 0.603 nan 8.270 nan 0.000 0.431 171 A N 0.057 122.893 122.820 0.027 0.000 2.468 171 A HA 1.019 5.289 4.320 -0.083 0.000 0.270 171 A C 1.257 178.843 177.584 0.005 0.000 1.217 171 A CA -0.265 51.776 52.037 0.006 0.000 0.908 171 A CB 0.432 19.424 19.000 -0.013 0.000 1.423 171 A HN 0.778 nan 8.150 nan 0.000 0.459 172 A N -1.235 121.583 122.820 -0.003 0.000 1.832 172 A HA 0.382 4.653 4.320 -0.083 0.000 0.214 172 A C 1.079 178.660 177.584 -0.005 0.000 1.204 172 A CA 2.079 54.114 52.037 -0.002 0.000 0.606 172 A CB -0.914 18.083 19.000 -0.005 0.000 0.849 172 A HN 1.505 nan 8.150 nan 0.000 0.445 173 D N -0.208 120.184 120.400 -0.013 0.000 2.446 173 D HA 0.521 5.112 4.640 -0.083 0.000 0.251 173 D C 0.623 176.904 176.300 -0.031 0.000 1.137 173 D CA -0.102 53.888 54.000 -0.017 0.000 0.890 173 D CB 0.311 41.101 40.800 -0.017 0.000 1.071 173 D HN 0.451 nan 8.370 nan 0.000 0.528 174 K N 0.771 121.153 120.400 -0.031 0.000 2.026 174 K HA -0.022 4.248 4.320 -0.083 0.000 0.208 174 K C 2.777 179.332 176.600 -0.075 0.000 1.048 174 K CA 1.303 57.555 56.287 -0.057 0.000 0.929 174 K CB -0.181 32.292 32.500 -0.044 0.000 0.713 174 K HN 0.438 nan 8.250 nan 0.000 0.439 175 A N 2.084 124.874 122.820 -0.050 0.000 1.940 175 A HA -0.269 4.002 4.320 -0.083 0.000 0.221 175 A C 2.484 180.032 177.584 -0.059 0.000 1.190 175 A CA 2.422 54.429 52.037 -0.049 0.000 0.647 175 A CB -0.921 18.064 19.000 -0.025 0.000 0.821 175 A HN 0.428 nan 8.150 nan 0.000 0.457 176 A N -1.947 120.843 122.820 -0.051 0.000 1.968 176 A HA -0.080 4.190 4.320 -0.083 0.000 0.217 176 A C 2.368 179.910 177.584 -0.070 0.000 1.169 176 A CA 1.584 53.591 52.037 -0.051 0.000 0.638 176 A CB -1.110 17.868 19.000 -0.037 0.000 0.812 176 A HN 0.845 nan 8.150 nan 0.000 0.446 177 c N -1.642 116.906 118.600 -0.086 0.000 2.505 177 c HA 0.297 4.817 4.570 -0.083 0.000 0.279 177 c C 2.885 176.875 174.090 -0.166 0.000 1.316 177 c CA 1.249 57.512 56.329 -0.110 0.000 1.720 177 c CB -1.041 41.408 42.510 -0.102 0.000 2.050 177 c HN 0.619 nan 8.230 nan 0.000 0.493 178 L N 0.782 121.882 121.223 -0.206 0.000 2.013 178 L HA 0.223 4.513 4.340 -0.083 0.000 0.204 178 L C 2.556 179.273 176.870 -0.255 0.000 1.081 178 L CA 2.142 56.793 54.840 -0.315 0.000 0.751 178 L CB -1.811 40.006 42.059 -0.404 0.000 0.901 178 L HN 0.507 nan 8.230 nan 0.000 0.440 179 L N -0.255 120.864 121.223 -0.172 0.000 2.058 179 L HA -0.283 4.007 4.340 -0.083 0.000 0.226 179 L C 0.655 177.465 176.870 -0.100 0.000 1.089 179 L CA 2.325 57.098 54.840 -0.111 0.000 0.799 179 L CB -1.908 40.113 42.059 -0.064 0.000 0.900 179 L HN 0.353 nan 8.230 nan 0.000 0.442 180 P HA -0.169 nan 4.420 nan 0.000 0.211 180 P C 1.355 178.600 177.300 -0.093 0.000 1.179 180 P CA 1.374 64.430 63.100 -0.073 0.000 0.910 180 P CB -0.028 31.632 31.700 -0.067 0.000 0.785 181 K N -0.660 119.655 120.400 -0.141 0.000 2.218 181 K HA -0.142 4.128 4.320 -0.083 0.000 0.205 181 K C 1.955 178.432 176.600 -0.206 0.000 1.046 181 K CA 1.124 57.307 56.287 -0.174 0.000 0.933 181 K CB -0.662 31.693 32.500 -0.241 0.000 0.728 181 K HN 0.187 nan 8.250 nan 0.000 0.454 182 L N 0.448 121.539 121.223 -0.221 0.000 2.209 182 L HA -0.120 4.170 4.340 -0.083 0.000 0.207 182 L C 1.691 178.547 176.870 -0.023 0.000 1.094 182 L CA 0.685 55.409 54.840 -0.194 0.000 0.790 182 L CB -0.220 41.733 42.059 -0.176 0.000 0.932 182 L HN 0.127 nan 8.230 nan 0.000 0.447 183 D N 0.111 120.501 120.400 -0.017 0.000 2.123 183 D HA -0.210 4.380 4.640 -0.083 0.000 0.200 183 D C 1.925 178.255 176.300 0.050 0.000 0.976 183 D CA 1.049 55.066 54.000 0.029 0.000 0.831 183 D CB 0.048 40.858 40.800 0.016 0.000 0.974 183 D HN 0.337 nan 8.370 nan 0.000 0.469 184 E N 0.538 120.756 120.200 0.030 0.000 2.085 184 E HA -0.164 4.136 4.350 -0.083 0.000 0.194 184 E C 2.303 178.970 176.600 0.111 0.000 0.994 184 E CA 0.666 57.101 56.400 0.057 0.000 0.801 184 E CB -0.063 29.654 29.700 0.028 0.000 0.743 184 E HN 0.203 nan 8.360 nan 0.000 0.453 185 L N -0.271 121.018 121.223 0.109 0.000 2.056 185 L HA -0.187 4.103 4.340 -0.083 0.000 0.207 185 L C 3.103 180.110 176.870 0.229 0.000 1.078 185 L CA 1.471 56.448 54.840 0.228 0.000 0.749 185 L CB -0.671 41.522 42.059 0.224 0.000 0.901 185 L HN 0.170 nan 8.230 nan 0.000 0.433 186 R N 0.185 120.794 120.500 0.181 0.000 2.073 186 R HA -0.199 4.092 4.340 -0.083 0.000 0.234 186 R C 1.803 178.163 176.300 0.101 0.000 1.134 186 R CA 2.078 58.264 56.100 0.143 0.000 0.952 186 R CB -1.532 28.844 30.300 0.126 0.000 0.850 186 R HN 0.375 nan 8.270 nan 0.000 0.433 187 D N 0.025 120.487 120.400 0.104 0.000 2.078 187 D HA -0.183 4.407 4.640 -0.083 0.000 0.193 187 D C 1.851 178.212 176.300 0.102 0.000 0.990 187 D CA 1.706 55.763 54.000 0.094 0.000 0.827 187 D CB -0.670 40.185 40.800 0.092 0.000 0.975 187 D HN 0.726 nan 8.370 nan 0.000 0.451 188 E N 0.449 120.743 120.200 0.155 0.000 2.209 188 E HA -0.138 4.163 4.350 -0.083 0.000 0.196 188 E C 2.032 178.753 176.600 0.201 0.000 0.993 188 E CA 1.314 57.853 56.400 0.231 0.000 0.819 188 E CB -0.254 29.667 29.700 0.369 0.000 0.745 188 E HN 0.269 nan 8.360 nan 0.000 0.477 189 G N 0.797 109.616 108.800 0.032 0.000 2.403 189 G HA2 -0.221 3.689 3.960 -0.083 0.000 0.216 189 G HA3 -0.221 3.689 3.960 -0.083 0.000 0.216 189 G C 1.442 176.284 174.900 -0.097 0.000 1.154 189 G CA 0.667 45.619 45.100 -0.246 0.000 0.784 189 G HN 0.175 nan 8.290 nan 0.000 0.538 190 K N 0.654 121.022 120.400 -0.054 0.000 2.057 190 K HA 0.116 4.386 4.320 -0.083 0.000 0.206 190 K C 2.951 179.523 176.600 -0.046 0.000 1.050 190 K CA 0.890 57.143 56.287 -0.057 0.000 0.935 190 K CB -0.207 32.316 32.500 0.038 0.000 0.715 190 K HN 0.239 nan 8.250 nan 0.000 0.439 191 A N 1.328 124.144 122.820 -0.008 0.000 1.865 191 A HA -0.241 4.030 4.320 -0.083 0.000 0.217 191 A C 2.284 179.828 177.584 -0.068 0.000 1.191 191 A CA 2.228 54.249 52.037 -0.027 0.000 0.623 191 A CB -1.001 17.988 19.000 -0.018 0.000 0.826 191 A HN 0.305 nan 8.150 nan 0.000 0.444 192 S N -0.509 115.166 115.700 -0.042 0.000 2.359 192 S HA -0.224 4.196 4.470 -0.083 0.000 0.223 192 S C 2.361 176.749 174.600 -0.353 0.000 1.039 192 S CA 2.358 60.490 58.200 -0.114 0.000 1.042 192 S CB -0.626 62.592 63.200 0.030 0.000 0.915 192 S HN 0.726 nan 8.310 nan 0.000 0.439 193 S N 0.715 116.141 115.700 -0.456 0.000 2.370 193 S HA -0.075 4.346 4.470 -0.083 0.000 0.226 193 S C 2.073 176.570 174.600 -0.173 0.000 1.033 193 S CA 1.651 59.603 58.200 -0.413 0.000 1.011 193 S CB -0.937 62.069 63.200 -0.324 0.000 0.852 193 S HN 0.748 nan 8.310 nan 0.000 0.457 194 A N 1.509 124.262 122.820 -0.112 0.000 1.845 194 A HA -0.101 4.170 4.320 -0.083 0.000 0.215 194 A C 2.159 179.678 177.584 -0.107 0.000 1.195 194 A CA 1.774 53.773 52.037 -0.063 0.000 0.616 194 A CB -0.782 18.208 19.000 -0.017 0.000 0.832 194 A HN 0.641 nan 8.150 nan 0.000 0.443 195 K N -1.086 119.234 120.400 -0.134 0.000 2.074 195 K HA -0.253 4.017 4.320 -0.083 0.000 0.209 195 K C 2.349 178.820 176.600 -0.214 0.000 1.048 195 K CA 1.859 58.043 56.287 -0.172 0.000 0.926 195 K CB -0.131 32.270 32.500 -0.165 0.000 0.713 195 K HN 0.520 nan 8.250 nan 0.000 0.444 196 Q N 0.963 120.641 119.800 -0.203 0.000 2.230 196 Q HA -0.113 4.178 4.340 -0.083 0.000 0.202 196 Q C 1.850 177.772 176.000 -0.131 0.000 0.963 196 Q CA 1.274 56.964 55.803 -0.188 0.000 0.866 196 Q CB 0.006 28.654 28.738 -0.150 0.000 0.931 196 Q HN 0.039 nan 8.270 nan 0.000 0.452 197 R N -0.417 120.011 120.500 -0.120 0.000 2.120 197 R HA -0.074 4.216 4.340 -0.083 0.000 0.234 197 R C 1.809 177.998 176.300 -0.186 0.000 1.123 197 R CA 1.042 57.051 56.100 -0.151 0.000 0.975 197 R CB -0.614 29.616 30.300 -0.117 0.000 0.866 197 R HN 0.411 nan 8.270 nan 0.000 0.446 198 L N 0.585 121.696 121.223 -0.185 0.000 2.072 198 L HA -0.038 4.253 4.340 -0.083 0.000 0.205 198 L C 1.555 178.281 176.870 -0.240 0.000 1.079 198 L CA 1.837 56.548 54.840 -0.216 0.000 0.752 198 L CB -0.318 41.576 42.059 -0.274 0.000 0.906 198 L HN 0.068 nan 8.230 nan 0.000 0.436 199 K N -1.204 119.039 120.400 -0.261 0.000 2.097 199 K HA -0.158 4.113 4.320 -0.083 0.000 0.206 199 K C 2.103 178.693 176.600 -0.017 0.000 1.049 199 K CA 1.625 57.802 56.287 -0.183 0.000 0.933 199 K CB -0.495 31.844 32.500 -0.269 0.000 0.717 199 K HN 0.438 nan 8.250 nan 0.000 0.442 200 c N 0.468 119.038 118.600 -0.050 0.000 2.457 200 c HA -0.010 4.510 4.570 -0.083 0.000 0.278 200 c C 2.905 176.972 174.090 -0.039 0.000 1.309 200 c CA 0.661 56.982 56.329 -0.013 0.000 1.735 200 c CB -0.793 41.712 42.510 -0.009 0.000 1.992 200 c HN 0.530 nan 8.230 nan 0.000 0.493 201 A N 0.677 123.445 122.820 -0.088 0.000 1.902 201 A HA -0.140 4.130 4.320 -0.083 0.000 0.217 201 A C 2.253 179.898 177.584 0.101 0.000 1.181 201 A CA 2.245 54.259 52.037 -0.037 0.000 0.623 201 A CB -0.812 18.163 19.000 -0.041 0.000 0.818 201 A HN 0.541 nan 8.150 nan 0.000 0.443 202 S N 0.027 115.797 115.700 0.116 0.000 2.359 202 S HA -0.170 4.250 4.470 -0.083 0.000 0.222 202 S C 1.881 176.634 174.600 0.256 0.000 1.038 202 S CA 1.671 60.014 58.200 0.238 0.000 1.051 202 S CB -0.566 62.675 63.200 0.067 0.000 0.944 202 S HN 0.494 nan 8.310 nan 0.000 0.433 203 L N 1.119 122.437 121.223 0.159 0.000 1.976 203 L HA -0.205 4.085 4.340 -0.083 0.000 0.209 203 L C 2.863 179.765 176.870 0.054 0.000 1.071 203 L CA 1.517 56.400 54.840 0.072 0.000 0.746 203 L CB -0.580 41.449 42.059 -0.050 0.000 0.890 203 L HN 0.343 nan 8.230 nan 0.000 0.432 204 Q N -0.295 119.524 119.800 0.032 0.000 2.124 204 Q HA -0.212 4.078 4.340 -0.083 0.000 0.202 204 Q C 2.054 178.021 176.000 -0.055 0.000 0.977 204 Q CA 1.537 57.341 55.803 0.002 0.000 0.850 204 Q CB 0.061 28.800 28.738 0.001 0.000 0.901 204 Q HN 0.447 nan 8.270 nan 0.000 0.429 205 K N -1.281 119.059 120.400 -0.100 0.000 2.334 205 K HA 0.078 4.348 4.320 -0.083 0.000 0.195 205 K C 0.882 177.120 176.600 -0.603 0.000 1.045 205 K CA 0.412 56.487 56.287 -0.354 0.000 1.004 205 K CB 0.524 32.740 32.500 -0.474 0.000 0.837 205 K HN 0.081 nan 8.250 nan 0.000 0.510 206 F N 0.203 120.170 119.950 0.028 0.000 2.752 206 F HA 0.285 4.756 4.527 -0.093 0.000 0.310 206 F C 0.814 176.645 175.800 0.052 0.000 1.097 206 F CA 0.068 58.094 58.000 0.044 0.000 1.238 206 F CB 1.337 40.372 39.000 0.059 0.000 1.061 206 F HN 0.023 nan 8.300 nan 0.000 0.591 207 G N 1.267 110.174 108.800 0.179 0.000 2.629 207 G HA2 -0.156 3.754 3.960 -0.083 0.000 0.686 207 G HA3 -0.156 3.754 3.960 -0.083 0.000 0.686 207 G C 0.422 175.409 174.900 0.145 0.000 1.232 207 G CA -0.251 44.926 45.100 0.127 0.000 0.803 207 G HN 0.381 nan 8.290 nan 0.000 0.638 208 E N 0.025 120.278 120.200 0.089 0.000 2.268 208 E HA -0.109 4.191 4.350 -0.083 0.000 0.195 208 E C 2.119 178.821 176.600 0.170 0.000 0.995 208 E CA 1.233 57.686 56.400 0.087 0.000 0.836 208 E CB 0.037 29.741 29.700 0.007 0.000 0.763 208 E HN 0.427 nan 8.360 nan 0.000 0.491 209 R N 1.487 122.078 120.500 0.151 0.000 2.092 209 R HA 0.034 4.324 4.340 -0.083 0.000 0.231 209 R C 2.076 178.488 176.300 0.186 0.000 1.119 209 R CA 1.681 57.875 56.100 0.157 0.000 0.970 209 R CB -0.911 29.465 30.300 0.128 0.000 0.864 209 R HN 0.300 nan 8.270 nan 0.000 0.440 210 A N -0.519 122.424 122.820 0.206 0.000 1.930 210 A HA -0.083 4.187 4.320 -0.083 0.000 0.217 210 A C 2.124 179.857 177.584 0.248 0.000 1.175 210 A CA 1.186 53.342 52.037 0.198 0.000 0.627 210 A CB -0.777 18.341 19.000 0.198 0.000 0.815 210 A HN 0.435 nan 8.150 nan 0.000 0.443 211 F N 0.831 120.839 119.950 0.098 0.000 2.075 211 F HA -0.130 4.341 4.527 -0.094 0.000 0.297 211 F C 2.164 178.027 175.800 0.103 0.000 1.113 211 F CA 2.134 60.171 58.000 0.062 0.000 1.218 211 F CB -0.217 38.791 39.000 0.014 0.000 0.984 211 F HN 0.097 nan 8.300 nan 0.000 0.472 212 K N 0.237 120.901 120.400 0.440 0.000 2.044 212 K HA -0.216 4.055 4.320 -0.083 0.000 0.210 212 K C 2.301 179.001 176.600 0.167 0.000 1.049 212 K CA 1.472 57.935 56.287 0.294 0.000 0.927 212 K CB -0.683 31.955 32.500 0.229 0.000 0.713 212 K HN 0.382 nan 8.250 nan 0.000 0.443 213 A N 1.258 124.174 122.820 0.160 0.000 1.902 213 A HA -0.202 4.068 4.320 -0.083 0.000 0.217 213 A C 1.912 179.542 177.584 0.076 0.000 1.181 213 A CA 1.212 53.315 52.037 0.111 0.000 0.623 213 A CB -0.865 18.191 19.000 0.094 0.000 0.818 213 A HN 0.576 nan 8.150 nan 0.000 0.443 214 W N 0.721 121.949 121.300 -0.120 0.000 2.358 214 W HA -0.158 4.475 4.660 -0.045 0.000 0.303 214 W C 2.388 178.772 176.519 -0.224 0.000 1.208 214 W CA 1.982 59.207 57.345 -0.199 0.000 1.274 214 W CB -0.504 28.781 29.460 -0.292 0.000 1.138 214 W HN 0.427 nan 8.180 nan 0.000 0.515 215 A N -0.030 122.825 122.820 0.059 0.000 1.898 215 A HA -0.133 4.137 4.320 -0.083 0.000 0.216 215 A C 2.181 179.781 177.584 0.027 0.000 1.181 215 A CA 2.105 54.136 52.037 -0.010 0.000 0.620 215 A CB -1.102 17.861 19.000 -0.062 0.000 0.819 215 A HN 0.052 nan 8.150 nan 0.000 0.442 216 V N 0.065 120.010 119.914 0.053 0.000 2.255 216 V HA -0.309 3.761 4.120 -0.083 0.000 0.247 216 V C 3.087 179.218 176.094 0.061 0.000 1.051 216 V CA 2.194 64.543 62.300 0.080 0.000 1.018 216 V CB -1.338 30.561 31.823 0.127 0.000 0.641 216 V HN 0.621 nan 8.190 nan 0.000 0.445 217 A N 0.040 122.854 122.820 -0.010 0.000 1.877 217 A HA -0.272 3.999 4.320 -0.083 0.000 0.216 217 A C 2.304 179.824 177.584 -0.107 0.000 1.186 217 A CA 2.293 54.279 52.037 -0.086 0.000 0.620 217 A CB -0.564 18.315 19.000 -0.203 0.000 0.822 217 A HN 0.452 nan 8.150 nan 0.000 0.443 218 R N -0.010 120.424 120.500 -0.110 0.000 2.075 218 R HA 0.044 4.334 4.340 -0.083 0.000 0.232 218 R C 1.855 178.075 176.300 -0.133 0.000 1.126 218 R CA 1.565 57.602 56.100 -0.105 0.000 0.963 218 R CB -0.808 29.482 30.300 -0.017 0.000 0.858 218 R HN 0.519 nan 8.270 nan 0.000 0.435 219 L N -0.283 120.882 121.223 -0.098 0.000 2.217 219 L HA -0.027 4.263 4.340 -0.083 0.000 0.211 219 L C 2.086 178.909 176.870 -0.079 0.000 1.107 219 L CA 1.090 55.837 54.840 -0.155 0.000 0.783 219 L CB -0.234 41.830 42.059 0.007 0.000 0.919 219 L HN 0.169 nan 8.230 nan 0.000 0.442 220 S N -0.647 115.064 115.700 0.020 0.000 2.406 220 S HA -0.159 4.262 4.470 -0.083 0.000 0.228 220 S C 1.914 176.479 174.600 -0.057 0.000 1.020 220 S CA 0.956 59.196 58.200 0.068 0.000 0.965 220 S CB -0.038 63.222 63.200 0.100 0.000 0.798 220 S HN 0.452 nan 8.310 nan 0.000 0.488 221 Q N 0.453 120.188 119.800 -0.107 0.000 2.123 221 Q HA -0.005 4.286 4.340 -0.083 0.000 0.199 221 Q C 2.397 178.311 176.000 -0.143 0.000 0.966 221 Q CA 0.926 56.653 55.803 -0.127 0.000 0.845 221 Q CB -0.074 28.587 28.738 -0.127 0.000 0.907 221 Q HN 0.380 nan 8.270 nan 0.000 0.439 222 R N -0.211 120.144 120.500 -0.241 0.000 2.062 222 R HA -0.041 4.250 4.340 -0.083 0.000 0.226 222 R C 0.047 176.221 176.300 -0.210 0.000 1.125 222 R CA 0.815 56.690 56.100 -0.374 0.000 0.966 222 R CB 0.313 30.151 30.300 -0.769 0.000 0.861 222 R HN 0.063 nan 8.270 nan 0.000 0.433 223 F N 1.675 121.636 119.950 0.018 0.000 2.578 223 F HA 0.355 4.834 4.527 -0.079 0.000 0.314 223 F C -1.745 174.081 175.800 0.042 0.000 1.225 223 F CA -3.317 54.704 58.000 0.035 0.000 1.215 223 F CB 1.129 40.165 39.000 0.060 0.000 1.448 223 F HN 0.046 nan 8.300 nan 0.000 0.548 224 P HA -0.166 nan 4.420 nan 0.000 0.219 224 P C 1.403 178.746 177.300 0.070 0.000 1.146 224 P CA 1.139 64.263 63.100 0.039 0.000 0.808 224 P CB 0.210 31.890 31.700 -0.033 0.000 0.779 225 K N -0.963 119.503 120.400 0.111 0.000 2.361 225 K HA 0.336 4.606 4.320 -0.083 0.000 0.196 225 K C 1.440 178.125 176.600 0.142 0.000 1.039 225 K CA 0.487 56.832 56.287 0.097 0.000 1.001 225 K CB -0.758 31.779 32.500 0.063 0.000 0.795 225 K HN 0.310 nan 8.250 nan 0.000 0.495 226 A N 1.834 124.770 122.820 0.193 0.000 2.445 226 A HA 0.235 4.506 4.320 -0.083 0.000 0.242 226 A C 0.198 177.948 177.584 0.277 0.000 1.075 226 A CA -0.229 51.922 52.037 0.191 0.000 0.777 226 A CB 0.153 19.272 19.000 0.198 0.000 1.013 226 A HN 0.247 nan 8.150 nan 0.000 0.493 227 E N 0.805 121.108 120.200 0.172 0.000 2.366 227 E HA 0.103 4.403 4.350 -0.083 0.000 0.266 227 E C 0.617 177.193 176.600 -0.041 0.000 1.051 227 E CA -0.282 56.201 56.400 0.137 0.000 0.884 227 E CB 0.501 30.253 29.700 0.088 0.000 1.006 227 E HN 0.631 nan 8.360 nan 0.000 0.417 228 F N 2.870 122.507 119.950 -0.522 0.000 2.087 228 F HA -0.306 4.171 4.527 -0.083 0.000 0.299 228 F C 1.945 177.567 175.800 -0.297 0.000 1.100 228 F CA 2.312 59.817 58.000 -0.826 0.000 1.226 228 F CB -0.255 38.255 39.000 -0.817 0.000 0.983 228 F HN 0.565 nan 8.300 nan 0.000 0.479 229 A N -0.379 122.330 122.820 -0.185 0.000 2.019 229 A HA -0.160 4.110 4.320 -0.083 0.000 0.219 229 A C 2.214 179.696 177.584 -0.170 0.000 1.164 229 A CA 1.653 53.579 52.037 -0.184 0.000 0.644 229 A CB -0.659 18.332 19.000 -0.014 0.000 0.805 229 A HN 0.468 nan 8.150 nan 0.000 0.449 230 E N -0.136 120.005 120.200 -0.100 0.000 2.028 230 E HA -0.091 4.209 4.350 -0.083 0.000 0.190 230 E C 2.277 178.847 176.600 -0.051 0.000 0.984 230 E CA 1.296 57.681 56.400 -0.024 0.000 0.800 230 E CB -0.518 29.207 29.700 0.041 0.000 0.758 230 E HN 0.341 nan 8.360 nan 0.000 0.448 231 V N 1.593 121.466 119.914 -0.070 0.000 2.252 231 V HA -0.303 3.768 4.120 -0.083 0.000 0.249 231 V C 2.425 178.437 176.094 -0.137 0.000 1.056 231 V CA 2.120 64.403 62.300 -0.030 0.000 1.022 231 V CB -0.783 31.039 31.823 -0.001 0.000 0.641 231 V HN 0.188 nan 8.190 nan 0.000 0.445 232 S N -0.531 114.956 115.700 -0.354 0.000 2.374 232 S HA -0.290 4.130 4.470 -0.083 0.000 0.227 232 S C 2.060 176.560 174.600 -0.166 0.000 1.037 232 S CA 1.840 59.837 58.200 -0.338 0.000 1.024 232 S CB -0.393 62.502 63.200 -0.509 0.000 0.861 232 S HN 0.507 nan 8.310 nan 0.000 0.456 233 K N 1.497 121.808 120.400 -0.149 0.000 2.026 233 K HA -0.010 4.261 4.320 -0.083 0.000 0.208 233 K C 2.057 178.585 176.600 -0.120 0.000 1.048 233 K CA 1.202 57.411 56.287 -0.131 0.000 0.929 233 K CB -0.638 31.777 32.500 -0.141 0.000 0.713 233 K HN 0.372 nan 8.250 nan 0.000 0.439 234 L N 0.777 121.956 121.223 -0.073 0.000 2.012 234 L HA -0.200 4.091 4.340 -0.083 0.000 0.210 234 L C 2.567 179.458 176.870 0.035 0.000 1.073 234 L CA 1.078 55.913 54.840 -0.009 0.000 0.748 234 L CB -0.604 41.514 42.059 0.098 0.000 0.891 234 L HN -0.060 nan 8.230 nan 0.000 0.431 235 V N -0.431 119.505 119.914 0.037 0.000 2.392 235 V HA -0.286 3.784 4.120 -0.083 0.000 0.249 235 V C 2.554 178.707 176.094 0.099 0.000 1.059 235 V CA 2.355 64.707 62.300 0.085 0.000 1.051 235 V CB -0.905 30.954 31.823 0.059 0.000 0.658 235 V HN 0.513 nan 8.190 nan 0.000 0.455 236 T N -0.435 114.137 114.554 0.030 0.000 2.746 236 T HA -0.177 4.123 4.350 -0.083 0.000 0.267 236 T C 1.635 176.345 174.700 0.017 0.000 1.039 236 T CA 1.670 63.781 62.100 0.019 0.000 1.142 236 T CB -0.344 68.511 68.868 -0.022 0.000 0.866 236 T HN 0.468 nan 8.240 nan 0.000 0.444 237 D N 0.917 121.314 120.400 -0.006 0.000 2.097 237 D HA -0.002 4.588 4.640 -0.083 0.000 0.197 237 D C 2.027 178.356 176.300 0.049 0.000 0.984 237 D CA 0.449 54.444 54.000 -0.008 0.000 0.826 237 D CB -0.559 40.207 40.800 -0.056 0.000 0.973 237 D HN 0.102 nan 8.370 nan 0.000 0.460 238 L N 0.960 122.248 121.223 0.108 0.000 2.079 238 L HA -0.153 4.138 4.340 -0.083 0.000 0.210 238 L C 2.161 179.201 176.870 0.284 0.000 1.081 238 L CA 1.691 56.659 54.840 0.214 0.000 0.752 238 L CB -0.964 41.251 42.059 0.259 0.000 0.896 238 L HN -0.009 nan 8.230 nan 0.000 0.433 239 T N -0.687 114.001 114.554 0.223 0.000 2.674 239 T HA -0.245 4.056 4.350 -0.083 0.000 0.265 239 T C 1.888 176.530 174.700 -0.097 0.000 1.039 239 T CA 1.735 63.847 62.100 0.019 0.000 1.150 239 T CB -0.179 68.696 68.868 0.012 0.000 0.864 239 T HN 0.345 nan 8.240 nan 0.000 0.427 240 K N 0.824 121.203 120.400 -0.035 0.000 2.103 240 K HA -0.113 4.157 4.320 -0.083 0.000 0.207 240 K C 2.203 178.781 176.600 -0.037 0.000 1.048 240 K CA 1.119 57.378 56.287 -0.047 0.000 0.930 240 K CB -0.376 32.106 32.500 -0.030 0.000 0.716 240 K HN 0.143 nan 8.250 nan 0.000 0.444 241 V N 1.395 121.299 119.914 -0.017 0.000 2.233 241 V HA -0.282 3.788 4.120 -0.083 0.000 0.247 241 V C 2.397 178.440 176.094 -0.085 0.000 1.050 241 V CA 2.044 64.315 62.300 -0.048 0.000 1.010 241 V CB -0.673 31.111 31.823 -0.065 0.000 0.637 241 V HN 0.476 nan 8.190 nan 0.000 0.444 242 H N -0.069 119.016 119.070 0.025 0.000 2.423 242 H HA -0.103 4.405 4.556 -0.080 0.000 0.297 242 H C 2.444 177.729 175.328 -0.071 0.000 1.075 242 H CA 1.910 57.949 56.048 -0.016 0.000 1.342 242 H CB -0.475 29.266 29.762 -0.035 0.000 1.395 242 H HN 0.449 nan 8.280 nan 0.000 0.530 243 T N 0.907 115.425 114.554 -0.061 0.000 2.759 243 T HA -0.137 4.163 4.350 -0.083 0.000 0.269 243 T C 1.832 176.550 174.700 0.031 0.000 1.042 243 T CA 1.440 63.500 62.100 -0.066 0.000 1.140 243 T CB -0.019 68.781 68.868 -0.113 0.000 0.864 243 T HN 0.553 nan 8.240 nan 0.000 0.455 244 E N 0.045 120.261 120.200 0.027 0.000 2.051 244 E HA -0.033 4.267 4.350 -0.083 0.000 0.189 244 E C 2.534 179.203 176.600 0.115 0.000 0.979 244 E CA 0.777 57.213 56.400 0.060 0.000 0.803 244 E CB -0.332 29.373 29.700 0.009 0.000 0.761 244 E HN 0.379 nan 8.360 nan 0.000 0.451 245 c N 0.763 119.430 118.600 0.111 0.000 2.413 245 c HA -0.181 4.339 4.570 -0.083 0.000 0.276 245 c C 2.937 177.144 174.090 0.196 0.000 1.236 245 c CA 0.582 57.008 56.329 0.162 0.000 1.735 245 c CB -0.752 41.918 42.510 0.266 0.000 2.031 245 c HN 0.611 nan 8.230 nan 0.000 0.474 246 c N -1.304 117.423 118.600 0.211 0.000 2.422 246 c HA -0.114 4.406 4.570 -0.083 0.000 0.279 246 c C 2.473 176.699 174.090 0.227 0.000 1.305 246 c CA 0.899 57.370 56.329 0.237 0.000 1.757 246 c CB -1.754 40.874 42.510 0.198 0.000 1.962 246 c HN 0.713 nan 8.230 nan 0.000 0.499 247 H N -0.176 118.966 119.070 0.119 0.000 2.539 247 H HA 0.146 4.651 4.556 -0.084 0.000 0.267 247 H C 1.746 177.176 175.328 0.169 0.000 0.982 247 H CA 1.035 57.155 56.048 0.120 0.000 1.146 247 H CB -0.101 29.718 29.762 0.095 0.000 1.382 247 H HN 0.520 nan 8.280 nan 0.000 0.577 248 G N 1.304 110.228 108.800 0.206 0.000 2.175 248 G HA2 -0.212 3.699 3.960 -0.083 0.000 0.244 248 G HA3 -0.212 3.699 3.960 -0.083 0.000 0.244 248 G C -0.066 174.893 174.900 0.098 0.000 0.982 248 G CA 0.212 45.421 45.100 0.183 0.000 0.641 248 G HN 0.480 nan 8.290 nan 0.000 0.527 249 D N 1.600 122.092 120.400 0.153 0.000 2.688 249 D HA 0.309 4.899 4.640 -0.083 0.000 0.228 249 D C 2.124 178.373 176.300 -0.085 0.000 1.116 249 D CA -0.199 53.795 54.000 -0.009 0.000 1.023 249 D CB 0.030 40.850 40.800 0.033 0.000 1.100 249 D HN 0.387 nan 8.370 nan 0.000 0.487 250 L N -0.225 120.902 121.223 -0.159 0.000 2.012 250 L HA -0.200 4.090 4.340 -0.083 0.000 0.210 250 L C 2.403 179.174 176.870 -0.165 0.000 1.073 250 L CA 0.975 55.723 54.840 -0.153 0.000 0.748 250 L CB -0.407 41.527 42.059 -0.207 0.000 0.891 250 L HN 0.265 nan 8.230 nan 0.000 0.431 251 L N -0.027 121.061 121.223 -0.225 0.000 1.989 251 L HA -0.215 4.075 4.340 -0.083 0.000 0.211 251 L C 2.899 179.708 176.870 -0.103 0.000 1.071 251 L CA 1.490 56.225 54.840 -0.175 0.000 0.749 251 L CB -0.818 41.128 42.059 -0.187 0.000 0.890 251 L HN 0.424 nan 8.230 nan 0.000 0.431 252 E N -0.233 119.902 120.200 -0.108 0.000 2.150 252 E HA -0.233 4.067 4.350 -0.083 0.000 0.193 252 E C 2.347 178.914 176.600 -0.054 0.000 0.985 252 E CA 1.465 57.818 56.400 -0.078 0.000 0.814 252 E CB -1.167 28.476 29.700 -0.095 0.000 0.752 252 E HN 0.555 nan 8.360 nan 0.000 0.466 253 c N 1.673 120.239 118.600 -0.056 0.000 2.432 253 c HA 0.076 4.596 4.570 -0.083 0.000 0.277 253 c C 3.063 177.124 174.090 -0.050 0.000 1.249 253 c CA 1.578 57.886 56.329 -0.036 0.000 1.725 253 c CB -1.081 41.422 42.510 -0.012 0.000 2.028 253 c HN 0.551 nan 8.230 nan 0.000 0.477 254 A N -0.210 122.567 122.820 -0.072 0.000 1.902 254 A HA -0.172 4.098 4.320 -0.083 0.000 0.217 254 A C 2.054 179.616 177.584 -0.037 0.000 1.181 254 A CA 2.198 54.189 52.037 -0.077 0.000 0.623 254 A CB -0.863 18.087 19.000 -0.082 0.000 0.818 254 A HN 0.704 nan 8.150 nan 0.000 0.443 255 D N 0.154 120.542 120.400 -0.020 0.000 2.077 255 D HA -0.154 4.436 4.640 -0.083 0.000 0.193 255 D C 1.401 177.710 176.300 0.016 0.000 0.989 255 D CA 1.464 55.472 54.000 0.013 0.000 0.831 255 D CB -0.348 40.472 40.800 0.033 0.000 0.979 255 D HN 0.392 nan 8.370 nan 0.000 0.449 256 D N 0.137 120.540 120.400 0.005 0.000 2.158 256 D HA -0.188 4.402 4.640 -0.083 0.000 0.197 256 D C 2.138 178.446 176.300 0.014 0.000 0.995 256 D CA 0.600 54.605 54.000 0.008 0.000 0.846 256 D CB -0.162 40.635 40.800 -0.005 0.000 0.941 256 D HN 0.258 nan 8.370 nan 0.000 0.456 257 R N 0.711 121.214 120.500 0.004 0.000 2.096 257 R HA -0.105 4.185 4.340 -0.083 0.000 0.235 257 R C 2.176 178.492 176.300 0.027 0.000 1.127 257 R CA 1.215 57.325 56.100 0.017 0.000 0.968 257 R CB -0.048 30.245 30.300 -0.012 0.000 0.861 257 R HN 0.084 nan 8.270 nan 0.000 0.440 258 A N 1.418 124.250 122.820 0.019 0.000 1.858 258 A HA -0.188 4.082 4.320 -0.083 0.000 0.216 258 A C 1.625 179.236 177.584 0.045 0.000 1.190 258 A CA 1.825 53.879 52.037 0.028 0.000 0.617 258 A CB -0.602 18.413 19.000 0.024 0.000 0.827 258 A HN 0.336 nan 8.150 nan 0.000 0.443 259 D N -0.231 120.197 120.400 0.048 0.000 2.126 259 D HA -0.195 4.395 4.640 -0.083 0.000 0.190 259 D C 1.812 178.165 176.300 0.088 0.000 1.001 259 D CA 1.645 55.683 54.000 0.064 0.000 0.841 259 D CB -0.695 40.137 40.800 0.053 0.000 0.949 259 D HN 0.334 nan 8.370 nan 0.000 0.446 260 L N 0.620 121.885 121.223 0.070 0.000 2.129 260 L HA -0.138 4.153 4.340 -0.083 0.000 0.212 260 L C 2.033 178.979 176.870 0.127 0.000 1.087 260 L CA 1.864 56.756 54.840 0.087 0.000 0.757 260 L CB -0.664 41.433 42.059 0.062 0.000 0.896 260 L HN 0.008 nan 8.230 nan 0.000 0.434 261 A N -0.994 121.883 122.820 0.094 0.000 1.929 261 A HA -0.159 4.111 4.320 -0.083 0.000 0.216 261 A C 2.342 179.972 177.584 0.076 0.000 1.176 261 A CA 1.536 53.622 52.037 0.080 0.000 0.628 261 A CB -0.402 18.630 19.000 0.054 0.000 0.816 261 A HN 0.475 nan 8.150 nan 0.000 0.444 262 K N -1.559 118.888 120.400 0.079 0.000 2.002 262 K HA -0.168 4.102 4.320 -0.083 0.000 0.209 262 K C 1.958 178.598 176.600 0.066 0.000 1.048 262 K CA 1.767 58.090 56.287 0.060 0.000 0.930 262 K CB -0.453 32.083 32.500 0.060 0.000 0.714 262 K HN 0.568 nan 8.250 nan 0.000 0.438 263 Y N 1.999 122.299 120.300 -0.001 0.000 2.030 263 Y HA -0.306 4.194 4.550 -0.083 0.000 0.274 263 Y C 2.020 177.905 175.900 -0.025 0.000 1.153 263 Y CA 1.734 59.828 58.100 -0.009 0.000 1.115 263 Y CB -0.456 38.003 38.460 -0.002 0.000 0.969 263 Y HN -0.021 nan 8.280 nan 0.000 0.488 264 I N -0.727 119.977 120.570 0.223 0.000 2.181 264 I HA -0.498 3.623 4.170 -0.083 0.000 0.247 264 I C 2.561 178.630 176.117 -0.081 0.000 1.081 264 I CA 1.738 63.079 61.300 0.067 0.000 1.340 264 I CB -0.765 37.285 38.000 0.084 0.000 1.036 264 I HN 0.443 nan 8.210 nan 0.000 0.417 265 c N 0.502 119.072 118.600 -0.051 0.000 2.446 265 c HA -0.119 4.401 4.570 -0.083 0.000 0.277 265 c C 2.640 176.664 174.090 -0.110 0.000 1.275 265 c CA 0.713 57.002 56.329 -0.066 0.000 1.727 265 c CB -1.009 41.483 42.510 -0.030 0.000 2.010 265 c HN 0.502 nan 8.230 nan 0.000 0.486 266 E N 1.101 121.214 120.200 -0.145 0.000 2.058 266 E HA -0.182 4.119 4.350 -0.083 0.000 0.194 266 E C 0.931 177.398 176.600 -0.221 0.000 0.997 266 E CA 1.341 57.638 56.400 -0.173 0.000 0.801 266 E CB -0.350 29.230 29.700 -0.199 0.000 0.746 266 E HN 0.692 nan 8.360 nan 0.000 0.450 267 N N 0.861 119.357 118.700 -0.340 0.000 2.322 267 N HA 0.014 4.705 4.740 -0.083 0.000 0.216 267 N C 0.816 176.200 175.510 -0.210 0.000 1.144 267 N CA -0.052 52.810 53.050 -0.312 0.000 0.830 267 N CB 0.266 38.457 38.487 -0.494 0.000 1.034 267 N HN 0.157 nan 8.380 nan 0.000 0.484 268 Q N 0.876 120.574 119.800 -0.170 0.000 1.991 268 Q HA -0.344 3.946 4.340 -0.083 0.000 0.213 268 Q C 1.985 177.908 176.000 -0.129 0.000 1.022 268 Q CA 2.676 58.392 55.803 -0.144 0.000 0.877 268 Q CB -0.758 27.920 28.738 -0.100 0.000 0.970 268 Q HN 0.736 nan 8.270 nan 0.000 0.414 269 D N -0.073 120.270 120.400 -0.095 0.000 2.218 269 D HA -0.203 4.388 4.640 -0.083 0.000 0.194 269 D C 1.796 178.057 176.300 -0.065 0.000 1.007 269 D CA 1.817 55.776 54.000 -0.068 0.000 0.879 269 D CB -0.675 40.092 40.800 -0.055 0.000 0.918 269 D HN 0.295 nan 8.370 nan 0.000 0.449 270 S N -1.287 114.365 115.700 -0.081 0.000 2.562 270 S HA 0.293 4.714 4.470 -0.083 0.000 0.221 270 S C 1.647 176.205 174.600 -0.070 0.000 0.975 270 S CA 0.286 58.452 58.200 -0.057 0.000 0.918 270 S CB 0.134 63.304 63.200 -0.051 0.000 0.772 270 S HN 0.664 nan 8.310 nan 0.000 0.531 271 I N -1.111 119.371 120.570 -0.147 0.000 3.632 271 I HA 0.238 4.358 4.170 -0.083 0.000 0.246 271 I C 0.665 176.619 176.117 -0.272 0.000 1.125 271 I CA 0.105 61.239 61.300 -0.277 0.000 1.519 271 I CB 0.439 38.132 38.000 -0.511 0.000 1.555 271 I HN 0.098 nan 8.210 nan 0.000 0.452 272 S N -0.570 114.974 115.700 -0.259 0.000 2.547 272 S HA 0.251 4.672 4.470 -0.083 0.000 0.270 272 S C 0.255 174.827 174.600 -0.046 0.000 1.150 272 S CA -0.150 58.002 58.200 -0.081 0.000 0.850 272 S CB 1.519 64.741 63.200 0.036 0.000 1.118 272 S HN 0.259 nan 8.310 nan 0.000 0.461 273 S N 2.263 117.966 115.700 0.005 0.000 2.593 273 S HA 0.243 4.664 4.470 -0.083 0.000 0.217 273 S C 0.727 175.335 174.600 0.013 0.000 0.966 273 S CA -0.002 58.197 58.200 -0.000 0.000 0.914 273 S CB -0.270 62.933 63.200 0.004 0.000 0.776 273 S HN 0.639 nan 8.310 nan 0.000 0.523 274 K N 0.717 121.140 120.400 0.037 0.000 2.372 274 K HA 0.424 4.694 4.320 -0.083 0.000 0.200 274 K C 0.765 177.390 176.600 0.042 0.000 1.022 274 K CA -0.027 56.285 56.287 0.043 0.000 1.125 274 K CB 0.060 32.597 32.500 0.063 0.000 0.855 274 K HN 0.330 nan 8.250 nan 0.000 0.524 275 L N 0.466 121.703 121.223 0.023 0.000 2.591 275 L HA 0.030 4.320 4.340 -0.083 0.000 0.228 275 L C 1.512 178.382 176.870 -0.001 0.000 1.133 275 L CA 0.376 55.223 54.840 0.011 0.000 0.880 275 L CB -0.124 41.915 42.059 -0.034 0.000 1.033 275 L HN 0.126 nan 8.230 nan 0.000 0.450 276 K N 0.601 121.000 120.400 -0.001 0.000 1.969 276 K HA -0.180 4.090 4.320 -0.083 0.000 0.216 276 K C 1.798 178.400 176.600 0.004 0.000 1.048 276 K CA 1.596 57.880 56.287 -0.004 0.000 0.948 276 K CB -0.229 32.269 32.500 -0.003 0.000 0.726 276 K HN 0.314 nan 8.250 nan 0.000 0.442 277 E N 0.784 120.990 120.200 0.010 0.000 2.169 277 E HA -0.262 4.038 4.350 -0.083 0.000 0.202 277 E C 2.309 178.919 176.600 0.017 0.000 1.016 277 E CA 1.498 57.907 56.400 0.014 0.000 0.817 277 E CB -0.613 29.097 29.700 0.018 0.000 0.736 277 E HN 0.366 nan 8.360 nan 0.000 0.462 278 c N 0.710 119.320 118.600 0.017 0.000 2.453 278 c HA -0.110 4.410 4.570 -0.083 0.000 0.277 278 c C 2.898 176.997 174.090 0.015 0.000 1.262 278 c CA 0.450 56.789 56.329 0.018 0.000 1.718 278 c CB -0.839 41.682 42.510 0.019 0.000 2.031 278 c HN 0.556 nan 8.230 nan 0.000 0.480 279 c N 0.528 119.132 118.600 0.007 0.000 2.511 279 c HA 0.007 4.527 4.570 -0.083 0.000 0.277 279 c C 1.311 175.404 174.090 0.006 0.000 1.451 279 c CA 0.538 56.869 56.329 0.003 0.000 1.735 279 c CB -2.030 40.474 42.510 -0.010 0.000 1.704 279 c HN 0.605 nan 8.230 nan 0.000 0.571 280 E N 1.231 121.437 120.200 0.010 0.000 2.663 280 E HA 0.169 4.470 4.350 -0.083 0.000 0.240 280 E C 0.115 176.726 176.600 0.019 0.000 1.227 280 E CA -0.003 56.404 56.400 0.011 0.000 1.528 280 E CB -0.005 29.701 29.700 0.009 0.000 1.472 280 E HN 0.714 nan 8.360 nan 0.000 0.433 281 K N -1.724 118.690 120.400 0.023 0.000 2.658 281 K HA 0.471 4.742 4.320 -0.083 0.000 0.293 281 K C -3.148 173.473 176.600 0.035 0.000 1.026 281 K CA -2.084 54.222 56.287 0.032 0.000 0.871 281 K CB 0.305 32.830 32.500 0.041 0.000 1.524 281 K HN -0.233 nan 8.250 nan 0.000 0.400 282 P HA -0.079 nan 4.420 nan 0.000 0.266 282 P C 1.334 178.663 177.300 0.048 0.000 1.193 282 P CA 0.380 63.508 63.100 0.047 0.000 0.770 282 P CB 0.294 32.029 31.700 0.058 0.000 0.836 283 L N 3.897 125.144 121.223 0.041 0.000 1.957 283 L HA -0.272 4.018 4.340 -0.083 0.000 0.228 283 L C 2.406 179.300 176.870 0.040 0.000 1.086 283 L CA 2.450 57.311 54.840 0.036 0.000 0.796 283 L CB -2.492 39.586 42.059 0.032 0.000 0.900 283 L HN 0.473 nan 8.230 nan 0.000 0.439 284 L N -1.198 120.064 121.223 0.064 0.000 2.051 284 L HA -0.322 3.969 4.340 -0.083 0.000 0.214 284 L C 2.772 179.671 176.870 0.049 0.000 1.076 284 L CA 2.299 57.193 54.840 0.091 0.000 0.758 284 L CB -0.904 41.268 42.059 0.188 0.000 0.890 284 L HN 0.632 nan 8.230 nan 0.000 0.433 285 E N -0.373 119.888 120.200 0.101 0.000 2.274 285 E HA -0.164 4.136 4.350 -0.083 0.000 0.194 285 E C 2.042 178.649 176.600 0.012 0.000 0.996 285 E CA 0.603 57.047 56.400 0.072 0.000 0.840 285 E CB 0.054 29.845 29.700 0.152 0.000 0.772 285 E HN 0.325 nan 8.360 nan 0.000 0.491 286 K N 0.094 120.504 120.400 0.017 0.000 2.007 286 K HA -0.039 4.231 4.320 -0.083 0.000 0.206 286 K C 2.124 178.720 176.600 -0.007 0.000 1.047 286 K CA 1.356 57.650 56.287 0.011 0.000 0.937 286 K CB -0.034 32.478 32.500 0.020 0.000 0.718 286 K HN -0.054 nan 8.250 nan 0.000 0.438 287 S N -0.075 115.617 115.700 -0.013 0.000 2.351 287 S HA -0.229 4.191 4.470 -0.083 0.000 0.220 287 S C 1.810 176.375 174.600 -0.058 0.000 1.035 287 S CA 1.805 59.997 58.200 -0.013 0.000 1.031 287 S CB -0.614 62.580 63.200 -0.011 0.000 0.928 287 S HN 0.519 nan 8.310 nan 0.000 0.433 288 H N 0.022 118.927 119.070 -0.276 0.000 2.390 288 H HA -0.128 4.374 4.556 -0.088 0.000 0.298 288 H C 2.441 177.625 175.328 -0.241 0.000 1.106 288 H CA 1.827 57.623 56.048 -0.419 0.000 1.297 288 H CB -0.716 28.388 29.762 -1.095 0.000 1.375 288 H HN 0.450 nan 8.280 nan 0.000 0.509 289 c N -0.209 118.298 118.600 -0.154 0.000 2.442 289 c HA -0.092 4.428 4.570 -0.083 0.000 0.279 289 c C 2.781 176.819 174.090 -0.087 0.000 1.237 289 c CA 1.072 57.340 56.329 -0.102 0.000 1.722 289 c CB -1.324 41.180 42.510 -0.011 0.000 2.056 289 c HN 0.696 nan 8.230 nan 0.000 0.469 290 I N 1.833 122.385 120.570 -0.031 0.000 2.118 290 I HA -0.233 3.887 4.170 -0.083 0.000 0.241 290 I C 2.842 178.974 176.117 0.025 0.000 1.070 290 I CA 1.991 63.314 61.300 0.038 0.000 1.327 290 I CB -0.793 37.251 38.000 0.073 0.000 1.034 290 I HN 0.428 nan 8.210 nan 0.000 0.405 291 A N -0.168 122.633 122.820 -0.032 0.000 2.131 291 A HA -0.157 4.113 4.320 -0.083 0.000 0.220 291 A C 1.801 179.317 177.584 -0.115 0.000 1.158 291 A CA 1.562 53.570 52.037 -0.049 0.000 0.665 291 A CB -0.277 18.698 19.000 -0.040 0.000 0.795 291 A HN 0.437 nan 8.150 nan 0.000 0.460 292 E N -0.297 119.803 120.200 -0.168 0.000 2.624 292 E HA 0.161 4.461 4.350 -0.083 0.000 0.210 292 E C 0.275 176.823 176.600 -0.088 0.000 0.997 292 E CA 0.060 56.364 56.400 -0.160 0.000 0.999 292 E CB 0.060 29.603 29.700 -0.261 0.000 1.040 292 E HN 0.482 nan 8.360 nan 0.000 0.469 293 V N 0.118 120.006 119.914 -0.043 0.000 2.963 293 V HA 0.119 4.189 4.120 -0.083 0.000 0.306 293 V C 0.563 176.648 176.094 -0.015 0.000 1.077 293 V CA -0.767 61.535 62.300 0.003 0.000 1.124 293 V CB 0.497 32.370 31.823 0.083 0.000 0.987 293 V HN 0.156 nan 8.190 nan 0.000 0.487 294 E N 2.916 123.117 120.200 0.001 0.000 2.371 294 E HA 0.256 4.556 4.350 -0.083 0.000 0.257 294 E C -0.478 176.116 176.600 -0.011 0.000 1.134 294 E CA -0.883 55.510 56.400 -0.013 0.000 0.919 294 E CB 0.338 30.037 29.700 -0.001 0.000 1.025 294 E HN 0.734 nan 8.360 nan 0.000 0.438 295 N N 2.008 120.687 118.700 -0.036 0.000 2.458 295 N HA -0.021 4.669 4.740 -0.083 0.000 0.258 295 N C -0.384 175.131 175.510 0.008 0.000 1.219 295 N CA 0.130 53.155 53.050 -0.041 0.000 0.902 295 N CB 0.398 38.849 38.487 -0.061 0.000 1.076 295 N HN 0.540 nan 8.380 nan 0.000 0.455 296 D N 0.872 121.303 120.400 0.050 0.000 2.360 296 D HA 0.008 4.599 4.640 -0.083 0.000 0.242 296 D C -0.175 176.136 176.300 0.018 0.000 1.184 296 D CA -0.043 53.995 54.000 0.064 0.000 0.930 296 D CB 0.745 41.618 40.800 0.122 0.000 1.161 296 D HN 0.238 nan 8.370 nan 0.000 0.447 297 E N 1.266 121.473 120.200 0.011 0.000 2.376 297 E HA -0.008 4.292 4.350 -0.083 0.000 0.266 297 E C 0.124 176.710 176.600 -0.022 0.000 1.009 297 E CA 0.020 56.413 56.400 -0.012 0.000 0.902 297 E CB 0.478 30.172 29.700 -0.010 0.000 0.972 297 E HN 0.445 nan 8.360 nan 0.000 0.439 298 M N 4.397 123.968 119.600 -0.049 0.000 2.246 298 M HA 0.078 4.508 4.480 -0.083 0.000 0.350 298 M C -2.041 174.224 176.300 -0.059 0.000 1.406 298 M CA -1.230 54.028 55.300 -0.071 0.000 1.089 298 M CB 0.321 32.854 32.600 -0.111 0.000 1.782 298 M HN 0.036 nan 8.290 nan 0.000 0.457 299 P HA -0.024 nan 4.420 nan 0.000 0.261 299 P C -0.210 177.062 177.300 -0.047 0.000 1.173 299 P CA 0.071 63.149 63.100 -0.036 0.000 0.760 299 P CB 0.592 32.275 31.700 -0.029 0.000 0.783 300 A N 4.465 127.264 122.820 -0.035 0.000 1.862 300 A HA -0.174 4.096 4.320 -0.083 0.000 0.214 300 A C 0.758 178.318 177.584 -0.041 0.000 1.228 300 A CA 1.491 53.506 52.037 -0.037 0.000 0.665 300 A CB -1.035 17.950 19.000 -0.025 0.000 0.845 300 A HN 0.550 nan 8.150 nan 0.000 0.459 301 D N 0.647 121.030 120.400 -0.029 0.000 2.453 301 D HA 0.419 5.009 4.640 -0.083 0.000 0.223 301 D C -0.915 175.369 176.300 -0.027 0.000 1.183 301 D CA 0.340 54.324 54.000 -0.027 0.000 0.933 301 D CB 0.454 41.245 40.800 -0.016 0.000 1.038 301 D HN 0.219 nan 8.370 nan 0.000 0.513 302 L N 4.140 125.338 121.223 -0.043 0.000 2.296 302 L HA 0.309 4.600 4.340 -0.083 0.000 0.286 302 L C -1.394 175.456 176.870 -0.034 0.000 1.023 302 L CA -1.548 53.265 54.840 -0.044 0.000 0.812 302 L CB 1.521 43.532 42.059 -0.081 0.000 1.223 302 L HN 0.125 nan 8.230 nan 0.000 0.421 303 P HA -0.005 nan 4.420 nan 0.000 0.273 303 P C -0.408 176.895 177.300 0.006 0.000 1.258 303 P CA -0.378 62.724 63.100 0.003 0.000 0.802 303 P CB 0.615 32.326 31.700 0.018 0.000 1.040 304 S N -1.066 114.651 115.700 0.028 0.000 2.586 304 S HA 0.183 4.603 4.470 -0.083 0.000 0.274 304 S C 1.468 176.136 174.600 0.113 0.000 1.281 304 S CA -0.737 57.494 58.200 0.052 0.000 1.035 304 S CB -0.055 63.179 63.200 0.057 0.000 0.962 304 S HN 0.371 nan 8.310 nan 0.000 0.512 305 L N 3.971 125.293 121.223 0.165 0.000 2.093 305 L HA -0.039 4.251 4.340 -0.083 0.000 0.208 305 L C 2.815 179.934 176.870 0.415 0.000 1.085 305 L CA 1.425 56.465 54.840 0.333 0.000 0.755 305 L CB -0.747 41.483 42.059 0.285 0.000 0.904 305 L HN 0.880 nan 8.230 nan 0.000 0.435 306 A N 0.135 123.117 122.820 0.270 0.000 2.032 306 A HA -0.258 4.012 4.320 -0.083 0.000 0.221 306 A C 2.494 180.122 177.584 0.072 0.000 1.165 306 A CA 1.804 53.867 52.037 0.042 0.000 0.645 306 A CB -0.646 18.292 19.000 -0.104 0.000 0.807 306 A HN 0.445 nan 8.150 nan 0.000 0.453 307 A N 0.378 123.250 122.820 0.086 0.000 1.834 307 A HA -0.208 4.062 4.320 -0.083 0.000 0.216 307 A C 1.711 179.308 177.584 0.021 0.000 1.203 307 A CA 1.982 54.045 52.037 0.044 0.000 0.621 307 A CB -0.735 18.285 19.000 0.033 0.000 0.841 307 A HN 0.448 nan 8.150 nan 0.000 0.446 308 D N -1.639 118.737 120.400 -0.041 0.000 2.323 308 D HA 0.071 4.662 4.640 -0.083 0.000 0.209 308 D C 1.084 177.197 176.300 -0.313 0.000 0.973 308 D CA 0.729 54.590 54.000 -0.232 0.000 0.874 308 D CB -0.141 40.386 40.800 -0.456 0.000 0.930 308 D HN 0.492 nan 8.370 nan 0.000 0.521 309 F N -0.573 119.506 119.950 0.215 0.000 2.717 309 F HA 0.112 4.590 4.527 -0.081 0.000 0.297 309 F C 1.907 177.854 175.800 0.244 0.000 1.113 309 F CA -0.090 58.080 58.000 0.283 0.000 1.319 309 F CB 0.457 39.617 39.000 0.266 0.000 1.097 309 F HN -0.096 nan 8.300 nan 0.000 0.595 310 V N -3.682 116.395 119.914 0.270 0.000 3.165 310 V HA 0.205 4.275 4.120 -0.083 0.000 0.231 310 V C 1.524 177.774 176.094 0.260 0.000 1.365 310 V CA 0.275 62.717 62.300 0.237 0.000 1.286 310 V CB -0.133 31.665 31.823 -0.042 0.000 1.081 310 V HN 0.072 nan 8.190 nan 0.000 0.477 311 E N 2.068 122.337 120.200 0.115 0.000 2.072 311 E HA 0.025 4.326 4.350 -0.083 0.000 0.190 311 E C 1.381 178.042 176.600 0.101 0.000 0.982 311 E CA 1.054 57.500 56.400 0.076 0.000 0.803 311 E CB -0.105 29.609 29.700 0.023 0.000 0.755 311 E HN 0.594 nan 8.360 nan 0.000 0.453 312 S N 0.266 116.027 115.700 0.101 0.000 2.558 312 S HA 0.054 4.474 4.470 -0.083 0.000 0.287 312 S C 0.870 175.549 174.600 0.133 0.000 1.321 312 S CA 0.739 58.987 58.200 0.081 0.000 1.048 312 S CB 0.984 64.212 63.200 0.047 0.000 0.844 312 S HN 0.270 nan 8.310 nan 0.000 0.512 313 K N 2.219 122.671 120.400 0.086 0.000 2.374 313 K HA 0.206 4.476 4.320 -0.083 0.000 0.196 313 K C 0.866 177.514 176.600 0.080 0.000 1.023 313 K CA 0.735 57.080 56.287 0.097 0.000 1.103 313 K CB -0.356 32.169 32.500 0.043 0.000 0.848 313 K HN 0.781 nan 8.250 nan 0.000 0.528 314 D N -0.469 119.958 120.400 0.046 0.000 2.349 314 D HA 0.084 4.674 4.640 -0.083 0.000 0.214 314 D C 1.547 177.807 176.300 -0.066 0.000 1.063 314 D CA 0.196 54.191 54.000 -0.008 0.000 0.847 314 D CB 0.386 41.170 40.800 -0.027 0.000 0.933 314 D HN 0.116 nan 8.370 nan 0.000 0.513 315 V N 0.307 120.202 119.914 -0.032 0.000 2.220 315 V HA -0.419 3.652 4.120 -0.083 0.000 0.250 315 V C 2.490 178.443 176.094 -0.237 0.000 1.053 315 V CA 1.794 64.000 62.300 -0.157 0.000 1.019 315 V CB -0.926 30.747 31.823 -0.249 0.000 0.646 315 V HN 0.368 nan 8.190 nan 0.000 0.455 316 c N 0.080 118.623 118.600 -0.096 0.000 2.398 316 c HA -0.196 4.324 4.570 -0.083 0.000 0.279 316 c C 3.165 177.243 174.090 -0.019 0.000 1.250 316 c CA 1.551 57.878 56.329 -0.003 0.000 1.786 316 c CB -1.591 40.968 42.510 0.082 0.000 2.018 316 c HN 0.758 nan 8.230 nan 0.000 0.494 317 K N 0.901 121.262 120.400 -0.064 0.000 2.025 317 K HA -0.139 4.132 4.320 -0.083 0.000 0.207 317 K C 1.656 178.170 176.600 -0.143 0.000 1.049 317 K CA 1.816 58.058 56.287 -0.075 0.000 0.933 317 K CB -0.958 31.507 32.500 -0.058 0.000 0.714 317 K HN 0.650 nan 8.250 nan 0.000 0.438 318 N N -0.769 117.770 118.700 -0.269 0.000 2.166 318 N HA -0.120 4.570 4.740 -0.083 0.000 0.186 318 N C 1.774 177.026 175.510 -0.430 0.000 1.019 318 N CA 1.550 54.363 53.050 -0.395 0.000 0.856 318 N CB -0.306 37.794 38.487 -0.645 0.000 0.993 318 N HN 0.586 nan 8.380 nan 0.000 0.426 319 Y N 1.981 121.901 120.300 -0.632 0.000 2.145 319 Y HA -0.108 4.392 4.550 -0.084 0.000 0.286 319 Y C 2.379 178.212 175.900 -0.112 0.000 1.145 319 Y CA 1.397 59.310 58.100 -0.311 0.000 1.148 319 Y CB -0.652 37.683 38.460 -0.209 0.000 0.981 319 Y HN 0.048 nan 8.280 nan 0.000 0.507 320 A N 0.421 123.133 122.820 -0.180 0.000 1.877 320 A HA -0.172 4.098 4.320 -0.083 0.000 0.216 320 A C 2.244 179.732 177.584 -0.159 0.000 1.186 320 A CA 2.650 54.561 52.037 -0.210 0.000 0.620 320 A CB -1.543 17.401 19.000 -0.093 0.000 0.822 320 A HN 0.580 nan 8.150 nan 0.000 0.443 321 E N -0.597 119.537 120.200 -0.110 0.000 2.049 321 E HA 0.172 4.473 4.350 -0.083 0.000 0.198 321 E C 1.198 177.773 176.600 -0.042 0.000 1.007 321 E CA 1.765 58.126 56.400 -0.064 0.000 0.809 321 E CB -0.683 28.988 29.700 -0.048 0.000 0.749 321 E HN 1.626 nan 8.360 nan 0.000 0.450 322 A N -1.194 121.613 122.820 -0.022 0.000 3.127 322 A HA 0.611 4.881 4.320 -0.083 0.000 0.319 322 A C 1.403 179.041 177.584 0.089 0.000 1.104 322 A CA 0.801 52.861 52.037 0.037 0.000 0.802 322 A CB 0.257 19.311 19.000 0.089 0.000 1.193 322 A HN 0.633 nan 8.150 nan 0.000 0.479 323 K N 0.312 120.698 120.400 -0.024 0.000 2.127 323 K HA -0.246 4.025 4.320 -0.083 0.000 0.208 323 K C 1.235 177.959 176.600 0.206 0.000 1.047 323 K CA 2.520 58.809 56.287 0.003 0.000 0.927 323 K CB -0.731 31.630 32.500 -0.231 0.000 0.716 323 K HN 0.680 nan 8.250 nan 0.000 0.450 324 D N -0.038 120.456 120.400 0.157 0.000 2.097 324 D HA -0.068 4.522 4.640 -0.083 0.000 0.197 324 D C 2.061 178.508 176.300 0.245 0.000 0.984 324 D CA 1.516 55.628 54.000 0.188 0.000 0.826 324 D CB -0.281 40.604 40.800 0.142 0.000 0.973 324 D HN 0.227 nan 8.370 nan 0.000 0.460 325 V N 1.023 121.086 119.914 0.249 0.000 2.358 325 V HA -0.209 3.861 4.120 -0.083 0.000 0.246 325 V C 2.197 178.449 176.094 0.264 0.000 1.047 325 V CA 1.091 63.561 62.300 0.283 0.000 1.035 325 V CB -0.513 31.459 31.823 0.248 0.000 0.658 325 V HN 0.038 nan 8.190 nan 0.000 0.452 326 F N 0.357 120.411 119.950 0.173 0.000 2.102 326 F HA -0.144 4.334 4.527 -0.082 0.000 0.298 326 F C 2.066 178.057 175.800 0.319 0.000 1.105 326 F CA 1.593 59.735 58.000 0.236 0.000 1.239 326 F CB -0.292 38.880 39.000 0.287 0.000 0.991 326 F HN 0.003 nan 8.300 nan 0.000 0.474 327 L N -0.705 120.691 121.223 0.289 0.000 2.201 327 L HA -0.094 4.196 4.340 -0.083 0.000 0.212 327 L C 2.655 179.636 176.870 0.185 0.000 1.105 327 L CA 1.095 56.064 54.840 0.215 0.000 0.775 327 L CB -1.392 40.831 42.059 0.274 0.000 0.913 327 L HN 0.312 nan 8.230 nan 0.000 0.440 328 G N -0.371 108.554 108.800 0.210 0.000 2.408 328 G HA2 -0.218 3.692 3.960 -0.083 0.000 0.217 328 G HA3 -0.218 3.692 3.960 -0.083 0.000 0.217 328 G C 1.626 176.623 174.900 0.162 0.000 1.150 328 G CA 0.313 45.592 45.100 0.298 0.000 0.776 328 G HN 0.164 nan 8.290 nan 0.000 0.542 329 M N -0.540 118.936 119.600 -0.206 0.000 2.254 329 M HA 0.114 4.544 4.480 -0.083 0.000 0.265 329 M C 2.294 178.546 176.300 -0.080 0.000 1.066 329 M CA 0.739 55.782 55.300 -0.428 0.000 1.123 329 M CB -0.364 31.988 32.600 -0.414 0.000 1.388 329 M HN 0.275 nan 8.290 nan 0.000 0.425 330 F N 1.549 121.288 119.950 -0.351 0.000 2.102 330 F HA -0.235 4.242 4.527 -0.084 0.000 0.298 330 F C 2.022 177.590 175.800 -0.388 0.000 1.105 330 F CA 1.356 58.894 58.000 -0.770 0.000 1.239 330 F CB -0.403 38.108 39.000 -0.814 0.000 0.991 330 F HN -0.032 nan 8.300 nan 0.000 0.474 331 L N 0.060 121.210 121.223 -0.122 0.000 1.989 331 L HA -0.232 4.059 4.340 -0.083 0.000 0.211 331 L C 2.334 179.156 176.870 -0.080 0.000 1.071 331 L CA 2.258 57.023 54.840 -0.125 0.000 0.749 331 L CB -1.739 40.347 42.059 0.046 0.000 0.890 331 L HN 0.437 nan 8.230 nan 0.000 0.431 332 Y N 0.495 120.777 120.300 -0.030 0.000 2.114 332 Y HA -0.282 4.218 4.550 -0.084 0.000 0.282 332 Y C 2.390 178.259 175.900 -0.053 0.000 1.165 332 Y CA 2.338 60.471 58.100 0.055 0.000 1.148 332 Y CB -0.268 38.374 38.460 0.303 0.000 0.972 332 Y HN 0.320 nan 8.280 nan 0.000 0.504 333 E N -0.987 119.077 120.200 -0.226 0.000 2.106 333 E HA -0.221 4.079 4.350 -0.083 0.000 0.192 333 E C 2.029 178.390 176.600 -0.398 0.000 0.984 333 E CA 1.380 57.563 56.400 -0.361 0.000 0.806 333 E CB -0.710 28.901 29.700 -0.148 0.000 0.750 333 E HN 0.645 nan 8.360 nan 0.000 0.458 334 Y N 0.884 120.821 120.300 -0.606 0.000 2.337 334 Y HA 0.007 4.507 4.550 -0.083 0.000 0.293 334 Y C 2.202 177.898 175.900 -0.340 0.000 1.123 334 Y CA 0.852 58.624 58.100 -0.547 0.000 1.201 334 Y CB -0.131 37.794 38.460 -0.891 0.000 1.011 334 Y HN -0.000 nan 8.280 nan 0.000 0.545 335 A N 1.170 123.910 122.820 -0.134 0.000 1.854 335 A HA -0.170 4.101 4.320 -0.083 0.000 0.214 335 A C 2.337 179.822 177.584 -0.166 0.000 1.192 335 A CA 1.681 53.649 52.037 -0.116 0.000 0.611 335 A CB -0.748 18.181 19.000 -0.117 0.000 0.832 335 A HN 0.537 nan 8.150 nan 0.000 0.442 336 R N 0.591 120.933 120.500 -0.263 0.000 2.117 336 R HA -0.203 4.087 4.340 -0.083 0.000 0.243 336 R C 1.718 177.860 176.300 -0.263 0.000 1.143 336 R CA 1.864 57.796 56.100 -0.280 0.000 0.968 336 R CB -0.552 29.486 30.300 -0.436 0.000 0.863 336 R HN 0.627 nan 8.270 nan 0.000 0.444 337 R N -0.346 119.964 120.500 -0.316 0.000 2.388 337 R HA 0.133 4.423 4.340 -0.083 0.000 0.247 337 R C -0.205 175.719 176.300 -0.628 0.000 0.931 337 R CA 0.055 55.906 56.100 -0.414 0.000 1.082 337 R CB 0.167 30.198 30.300 -0.448 0.000 1.135 337 R HN 0.319 nan 8.270 nan 0.000 0.525 338 H N 1.393 120.255 119.070 -0.348 0.000 2.511 338 H HA 0.201 4.707 4.556 -0.084 0.000 0.228 338 H C -2.008 173.153 175.328 -0.279 0.000 1.424 338 H CA -1.598 54.187 56.048 -0.438 0.000 1.321 338 H CB 1.716 31.063 29.762 -0.692 0.000 1.720 338 H HN 0.144 nan 8.280 nan 0.000 0.512 339 P HA -0.084 nan 4.420 nan 0.000 0.234 339 P C 0.795 178.076 177.300 -0.032 0.000 1.167 339 P CA 0.795 63.845 63.100 -0.083 0.000 0.763 339 P CB 0.333 31.976 31.700 -0.095 0.000 0.835 340 D N -2.410 117.980 120.400 -0.016 0.000 2.339 340 D HA -0.062 4.529 4.640 -0.083 0.000 0.217 340 D C 0.205 176.660 176.300 0.258 0.000 1.050 340 D CA -0.011 54.037 54.000 0.079 0.000 0.856 340 D CB -0.437 40.404 40.800 0.069 0.000 0.922 340 D HN 0.077 nan 8.370 nan 0.000 0.518 341 Y N 1.614 121.906 120.300 -0.014 0.000 2.419 341 Y HA 0.377 4.876 4.550 -0.084 0.000 0.328 341 Y C 1.084 176.910 175.900 -0.124 0.000 1.162 341 Y CA -2.429 55.623 58.100 -0.081 0.000 1.174 341 Y CB 1.544 39.931 38.460 -0.121 0.000 1.228 341 Y HN -0.119 nan 8.280 nan 0.000 0.473 342 S N -0.295 115.386 115.700 -0.032 0.000 2.617 342 S HA 0.297 4.718 4.470 -0.083 0.000 0.269 342 S C 0.889 175.355 174.600 -0.224 0.000 1.292 342 S CA -0.696 57.431 58.200 -0.122 0.000 1.010 342 S CB 1.113 64.225 63.200 -0.146 0.000 0.944 342 S HN 0.377 nan 8.310 nan 0.000 0.536 343 V N 1.825 121.541 119.914 -0.330 0.000 2.392 343 V HA -0.193 3.877 4.120 -0.083 0.000 0.249 343 V C 2.592 178.275 176.094 -0.685 0.000 1.059 343 V CA 2.039 63.994 62.300 -0.574 0.000 1.051 343 V CB -1.346 29.916 31.823 -0.936 0.000 0.658 343 V HN 0.896 nan 8.190 nan 0.000 0.455 344 V N -1.445 118.089 119.914 -0.633 0.000 2.515 344 V HA -0.159 3.911 4.120 -0.083 0.000 0.250 344 V C 2.334 178.203 176.094 -0.375 0.000 1.058 344 V CA 1.878 63.867 62.300 -0.518 0.000 1.064 344 V CB -0.841 30.779 31.823 -0.339 0.000 0.675 344 V HN 0.457 nan 8.190 nan 0.000 0.461 345 L N 0.098 121.116 121.223 -0.341 0.000 2.056 345 L HA 0.001 4.291 4.340 -0.083 0.000 0.207 345 L C 2.297 178.930 176.870 -0.395 0.000 1.078 345 L CA 1.835 56.460 54.840 -0.358 0.000 0.749 345 L CB -0.611 41.207 42.059 -0.401 0.000 0.901 345 L HN 0.265 nan 8.230 nan 0.000 0.433 346 L N -1.102 119.909 121.223 -0.353 0.000 2.046 346 L HA -0.241 4.049 4.340 -0.083 0.000 0.208 346 L C 2.504 179.156 176.870 -0.363 0.000 1.077 346 L CA 1.360 55.979 54.840 -0.369 0.000 0.747 346 L CB -0.586 41.306 42.059 -0.278 0.000 0.896 346 L HN 0.300 nan 8.230 nan 0.000 0.432 347 L N -0.869 120.149 121.223 -0.343 0.000 2.093 347 L HA -0.181 4.110 4.340 -0.083 0.000 0.208 347 L C 2.804 179.531 176.870 -0.238 0.000 1.085 347 L CA 1.134 55.814 54.840 -0.267 0.000 0.755 347 L CB -0.517 41.369 42.059 -0.289 0.000 0.904 347 L HN 0.226 nan 8.230 nan 0.000 0.435 348 R N 0.084 120.418 120.500 -0.277 0.000 2.075 348 R HA -0.112 4.178 4.340 -0.083 0.000 0.232 348 R C 2.308 178.430 176.300 -0.296 0.000 1.126 348 R CA 1.113 57.067 56.100 -0.244 0.000 0.963 348 R CB -0.387 29.766 30.300 -0.244 0.000 0.858 348 R HN 0.321 nan 8.270 nan 0.000 0.435 349 L N 0.260 121.207 121.223 -0.460 0.000 1.994 349 L HA -0.175 4.115 4.340 -0.083 0.000 0.208 349 L C 2.768 179.404 176.870 -0.391 0.000 1.071 349 L CA 1.390 55.793 54.840 -0.729 0.000 0.745 349 L CB -0.788 40.575 42.059 -1.159 0.000 0.892 349 L HN 0.239 nan 8.230 nan 0.000 0.431 350 A N 0.190 122.889 122.820 -0.202 0.000 1.917 350 A HA -0.275 3.995 4.320 -0.083 0.000 0.219 350 A C 2.537 180.112 177.584 -0.014 0.000 1.182 350 A CA 2.404 54.449 52.037 0.013 0.000 0.633 350 A CB -0.631 18.395 19.000 0.043 0.000 0.819 350 A HN 0.247 nan 8.150 nan 0.000 0.448 351 K N -0.835 119.530 120.400 -0.059 0.000 2.211 351 K HA -0.083 4.187 4.320 -0.083 0.000 0.203 351 K C 2.095 178.682 176.600 -0.021 0.000 1.050 351 K CA 2.009 58.277 56.287 -0.032 0.000 0.945 351 K CB -1.088 31.382 32.500 -0.049 0.000 0.732 351 K HN 0.698 nan 8.250 nan 0.000 0.451 352 T N -0.350 114.188 114.554 -0.026 0.000 2.942 352 T HA 0.012 4.312 4.350 -0.083 0.000 0.265 352 T C 1.331 176.105 174.700 0.123 0.000 1.062 352 T CA 1.290 63.421 62.100 0.051 0.000 1.139 352 T CB -0.405 68.517 68.868 0.089 0.000 0.883 352 T HN 0.540 nan 8.240 nan 0.000 0.468 353 Y N 2.144 122.425 120.300 -0.030 0.000 2.163 353 Y HA -0.059 4.440 4.550 -0.083 0.000 0.288 353 Y C 2.516 178.289 175.900 -0.211 0.000 1.136 353 Y CA 1.644 59.668 58.100 -0.127 0.000 1.147 353 Y CB -0.304 37.855 38.460 -0.502 0.000 0.987 353 Y HN 0.258 nan 8.280 nan 0.000 0.509 354 E N -0.884 119.194 120.200 -0.203 0.000 2.085 354 E HA -0.215 4.085 4.350 -0.083 0.000 0.194 354 E C 1.880 178.363 176.600 -0.195 0.000 0.994 354 E CA 2.038 58.297 56.400 -0.234 0.000 0.801 354 E CB -0.273 29.425 29.700 -0.003 0.000 0.743 354 E HN 0.460 nan 8.360 nan 0.000 0.453 355 T N -0.004 114.492 114.554 -0.096 0.000 2.833 355 T HA -0.111 4.189 4.350 -0.083 0.000 0.269 355 T C 1.761 176.408 174.700 -0.088 0.000 1.054 355 T CA 1.649 63.717 62.100 -0.054 0.000 1.135 355 T CB -0.306 68.552 68.868 -0.016 0.000 0.869 355 T HN 0.257 nan 8.240 nan 0.000 0.466 356 T N 2.083 116.553 114.554 -0.140 0.000 2.857 356 T HA 0.161 4.461 4.350 -0.083 0.000 0.266 356 T C 1.953 176.523 174.700 -0.215 0.000 1.048 356 T CA 0.573 62.594 62.100 -0.131 0.000 1.139 356 T CB -0.211 68.601 68.868 -0.094 0.000 0.874 356 T HN 0.253 nan 8.240 nan 0.000 0.455 357 L N 1.016 121.966 121.223 -0.454 0.000 2.027 357 L HA -0.092 4.198 4.340 -0.083 0.000 0.206 357 L C 2.993 179.713 176.870 -0.250 0.000 1.074 357 L CA 1.247 55.756 54.840 -0.552 0.000 0.745 357 L CB -0.840 40.489 42.059 -1.215 0.000 0.898 357 L HN 0.210 nan 8.230 nan 0.000 0.433 358 E N 0.042 120.162 120.200 -0.133 0.000 2.130 358 E HA -0.272 4.028 4.350 -0.083 0.000 0.196 358 E C 2.284 178.910 176.600 0.043 0.000 0.998 358 E CA 1.729 58.178 56.400 0.082 0.000 0.806 358 E CB -0.323 29.436 29.700 0.098 0.000 0.738 358 E HN 0.611 nan 8.360 nan 0.000 0.459 359 K N -0.724 119.677 120.400 0.000 0.000 2.078 359 K HA 0.045 4.315 4.320 -0.083 0.000 0.203 359 K C 2.365 178.977 176.600 0.020 0.000 1.043 359 K CA 1.047 57.341 56.287 0.012 0.000 0.960 359 K CB -1.231 31.271 32.500 0.003 0.000 0.761 359 K HN 0.523 nan 8.250 nan 0.000 0.448 360 c N 1.045 119.657 118.600 0.020 0.000 2.413 360 c HA -0.018 4.502 4.570 -0.083 0.000 0.276 360 c C 2.915 177.056 174.090 0.085 0.000 1.248 360 c CA 0.970 57.336 56.329 0.062 0.000 1.742 360 c CB -1.458 41.136 42.510 0.139 0.000 2.017 360 c HN 0.771 nan 8.230 nan 0.000 0.481 361 c N 0.958 119.607 118.600 0.082 0.000 2.460 361 c HA 0.113 4.634 4.570 -0.083 0.000 0.291 361 c C 2.349 176.483 174.090 0.074 0.000 1.493 361 c CA 0.940 57.329 56.329 0.099 0.000 1.748 361 c CB -1.992 40.589 42.510 0.119 0.000 1.656 361 c HN 0.711 nan 8.230 nan 0.000 0.576 362 A N -0.527 122.326 122.820 0.055 0.000 2.430 362 A HA 0.673 4.943 4.320 -0.083 0.000 0.243 362 A C 1.009 178.608 177.584 0.025 0.000 1.254 362 A CA 0.551 52.611 52.037 0.038 0.000 0.914 362 A CB -0.105 18.917 19.000 0.035 0.000 0.998 362 A HN 0.451 nan 8.150 nan 0.000 0.515 363 A N -0.913 121.921 122.820 0.023 0.000 2.274 363 A HA 0.741 5.012 4.320 -0.083 0.000 0.297 363 A C 1.564 179.149 177.584 0.002 0.000 1.191 363 A CA 0.243 52.284 52.037 0.008 0.000 0.889 363 A CB -0.045 18.954 19.000 -0.002 0.000 1.294 363 A HN 0.929 nan 8.150 nan 0.000 0.506 364 A N -1.268 121.547 122.820 -0.009 0.000 1.854 364 A HA 0.349 4.620 4.320 -0.083 0.000 0.214 364 A C 1.160 178.732 177.584 -0.021 0.000 1.192 364 A CA 1.973 54.003 52.037 -0.012 0.000 0.611 364 A CB -0.948 18.043 19.000 -0.016 0.000 0.832 364 A HN 1.331 nan 8.150 nan 0.000 0.442 365 D N -0.454 119.924 120.400 -0.037 0.000 2.462 365 D HA 0.524 5.114 4.640 -0.083 0.000 0.249 365 D C -1.824 174.418 176.300 -0.096 0.000 1.117 365 D CA -1.278 52.685 54.000 -0.062 0.000 0.900 365 D CB 0.540 41.297 40.800 -0.071 0.000 1.039 365 D HN 0.141 nan 8.370 nan 0.000 0.516 366 P HA -0.168 nan 4.420 nan 0.000 0.213 366 P C 2.193 179.210 177.300 -0.471 0.000 1.170 366 P CA 3.010 66.061 63.100 -0.081 0.000 0.902 366 P CB 0.021 31.786 31.700 0.107 0.000 0.789 367 H N -0.974 117.746 119.070 -0.584 0.000 2.330 367 H HA -0.252 4.254 4.556 -0.083 0.000 0.290 367 H C 2.065 176.985 175.328 -0.681 0.000 1.111 367 H CA 3.206 58.720 56.048 -0.890 0.000 1.226 367 H CB -1.724 27.819 29.762 -0.364 0.000 1.355 367 H HN 0.328 nan 8.280 nan 0.000 0.485 368 E N -0.325 119.657 120.200 -0.363 0.000 2.051 368 E HA -0.147 4.153 4.350 -0.083 0.000 0.192 368 E C 2.833 179.305 176.600 -0.212 0.000 0.991 368 E CA 1.489 57.751 56.400 -0.230 0.000 0.799 368 E CB -1.567 28.049 29.700 -0.141 0.000 0.748 368 E HN 0.948 nan 8.360 nan 0.000 0.449 369 c N 0.452 118.927 118.600 -0.207 0.000 2.413 369 c HA -0.108 4.413 4.570 -0.083 0.000 0.277 369 c C 2.512 176.571 174.090 -0.053 0.000 1.228 369 c CA 1.442 57.708 56.329 -0.105 0.000 1.731 369 c CB -1.202 41.276 42.510 -0.055 0.000 2.042 369 c HN 0.848 nan 8.230 nan 0.000 0.468 370 Y N 0.720 120.992 120.300 -0.048 0.000 2.495 370 Y HA 0.615 5.116 4.550 -0.082 0.000 0.293 370 Y C 1.617 177.492 175.900 -0.042 0.000 1.186 370 Y CA -0.042 58.026 58.100 -0.053 0.000 1.266 370 Y CB -1.384 37.028 38.460 -0.080 0.000 1.101 370 Y HN 0.210 nan 8.280 nan 0.000 0.517 371 A N 1.079 123.866 122.820 -0.056 0.000 2.014 371 A HA 0.111 4.381 4.320 -0.083 0.000 0.218 371 A C 1.984 179.547 177.584 -0.034 0.000 1.163 371 A CA 1.284 53.291 52.037 -0.051 0.000 0.652 371 A CB -0.636 18.285 19.000 -0.132 0.000 0.808 371 A HN 0.430 nan 8.150 nan 0.000 0.449 372 K N -0.202 120.189 120.400 -0.015 0.000 2.576 372 K HA 0.576 4.847 4.320 -0.083 0.000 0.209 372 K C 1.193 177.793 176.600 -0.000 0.000 1.049 372 K CA 0.477 56.754 56.287 -0.017 0.000 1.140 372 K CB -0.962 31.532 32.500 -0.011 0.000 0.871 372 K HN 0.390 nan 8.250 nan 0.000 0.479 373 V N -0.174 119.750 119.914 0.016 0.000 2.469 373 V HA -0.143 3.928 4.120 -0.083 0.000 0.251 373 V C 1.736 177.695 176.094 -0.226 0.000 1.064 373 V CA 1.851 64.147 62.300 -0.008 0.000 1.066 373 V CB -0.725 31.174 31.823 0.127 0.000 0.667 373 V HN 0.650 nan 8.190 nan 0.000 0.461 374 F N 1.504 121.162 119.950 -0.487 0.000 2.451 374 F HA 0.055 4.534 4.527 -0.081 0.000 0.299 374 F C 2.458 178.110 175.800 -0.246 0.000 1.101 374 F CA 0.780 58.432 58.000 -0.580 0.000 1.436 374 F CB -1.541 37.336 39.000 -0.206 0.000 1.074 374 F HN 0.481 nan 8.300 nan 0.000 0.553 375 D N -0.599 119.829 120.400 0.046 0.000 2.277 375 D HA -0.097 4.493 4.640 -0.083 0.000 0.208 375 D C 1.974 178.315 176.300 0.069 0.000 0.962 375 D CA 0.935 54.973 54.000 0.063 0.000 0.865 375 D CB -0.443 40.384 40.800 0.044 0.000 0.939 375 D HN 0.304 nan 8.370 nan 0.000 0.510 376 E N -0.965 119.266 120.200 0.052 0.000 2.208 376 E HA -0.028 4.272 4.350 -0.083 0.000 0.193 376 E C 1.471 178.253 176.600 0.304 0.000 0.988 376 E CA 0.301 56.785 56.400 0.141 0.000 0.828 376 E CB -0.048 29.743 29.700 0.152 0.000 0.763 376 E HN 0.576 nan 8.360 nan 0.000 0.478 377 F N 1.072 121.037 119.950 0.026 0.000 2.259 377 F HA -0.110 4.370 4.527 -0.080 0.000 0.298 377 F C 2.480 178.246 175.800 -0.057 0.000 1.088 377 F CA 0.444 58.411 58.000 -0.055 0.000 1.358 377 F CB -1.248 37.686 39.000 -0.110 0.000 1.040 377 F HN -0.128 nan 8.300 nan 0.000 0.505 378 K N 0.658 121.170 120.400 0.187 0.000 2.015 378 K HA -0.190 4.080 4.320 -0.083 0.000 0.216 378 K C -0.391 176.232 176.600 0.038 0.000 1.052 378 K CA 1.978 58.323 56.287 0.097 0.000 0.937 378 K CB -1.666 30.885 32.500 0.085 0.000 0.719 378 K HN 0.178 nan 8.250 nan 0.000 0.446 379 P HA -0.060 nan 4.420 nan 0.000 0.216 379 P C 1.428 178.706 177.300 -0.037 0.000 1.150 379 P CA 1.237 64.338 63.100 0.002 0.000 0.837 379 P CB -0.075 31.633 31.700 0.013 0.000 0.786 380 L N -1.530 119.663 121.223 -0.050 0.000 2.141 380 L HA -0.102 4.188 4.340 -0.083 0.000 0.209 380 L C 2.178 178.932 176.870 -0.194 0.000 1.094 380 L CA 1.073 55.840 54.840 -0.122 0.000 0.763 380 L CB -0.681 41.282 42.059 -0.160 0.000 0.908 380 L HN -0.106 nan 8.230 nan 0.000 0.437 381 V N -0.608 119.185 119.914 -0.201 0.000 2.649 381 V HA -0.154 3.916 4.120 -0.083 0.000 0.248 381 V C 2.227 178.204 176.094 -0.195 0.000 1.054 381 V CA 1.270 63.388 62.300 -0.304 0.000 1.073 381 V CB -0.228 31.413 31.823 -0.304 0.000 0.699 381 V HN 0.416 nan 8.190 nan 0.000 0.463 382 E N -0.199 119.937 120.200 -0.107 0.000 2.107 382 E HA -0.196 4.105 4.350 -0.083 0.000 0.191 382 E C 2.247 178.807 176.600 -0.067 0.000 0.982 382 E CA 0.824 57.185 56.400 -0.066 0.000 0.809 382 E CB -0.090 29.592 29.700 -0.030 0.000 0.756 382 E HN 0.512 nan 8.360 nan 0.000 0.459 383 E N 0.956 121.111 120.200 -0.075 0.000 2.033 383 E HA -0.180 4.121 4.350 -0.083 0.000 0.199 383 E C -0.686 175.873 176.600 -0.069 0.000 1.011 383 E CA 1.729 58.090 56.400 -0.064 0.000 0.815 383 E CB -1.013 28.645 29.700 -0.070 0.000 0.755 383 E HN 0.129 nan 8.360 nan 0.000 0.451 384 P HA -0.148 nan 4.420 nan 0.000 0.215 384 P C 1.463 178.720 177.300 -0.072 0.000 1.157 384 P CA 1.825 64.867 63.100 -0.096 0.000 0.874 384 P CB -0.162 31.449 31.700 -0.148 0.000 0.790 385 Q N -0.955 118.799 119.800 -0.077 0.000 2.030 385 Q HA -0.176 4.114 4.340 -0.083 0.000 0.204 385 Q C 1.992 177.977 176.000 -0.025 0.000 0.986 385 Q CA 1.335 57.111 55.803 -0.046 0.000 0.843 385 Q CB -0.664 28.050 28.738 -0.039 0.000 0.904 385 Q HN 0.313 nan 8.270 nan 0.000 0.420 386 N N 0.726 119.412 118.700 -0.024 0.000 2.120 386 N HA -0.147 4.543 4.740 -0.083 0.000 0.188 386 N C 1.782 177.290 175.510 -0.004 0.000 1.024 386 N CA 0.799 53.843 53.050 -0.010 0.000 0.852 386 N CB -0.312 38.169 38.487 -0.010 0.000 1.003 386 N HN 0.105 nan 8.380 nan 0.000 0.424 387 L N 1.556 122.773 121.223 -0.010 0.000 1.970 387 L HA -0.104 4.186 4.340 -0.083 0.000 0.212 387 L C 2.040 178.915 176.870 0.009 0.000 1.071 387 L CA 1.325 56.166 54.840 0.002 0.000 0.751 387 L CB -0.626 41.429 42.059 -0.005 0.000 0.889 387 L HN 0.050 nan 8.230 nan 0.000 0.432 388 I N -0.258 120.308 120.570 -0.007 0.000 2.127 388 I HA -0.338 3.783 4.170 -0.083 0.000 0.241 388 I C 2.519 178.634 176.117 -0.002 0.000 1.075 388 I CA 1.703 62.995 61.300 -0.012 0.000 1.334 388 I CB -1.317 36.667 38.000 -0.027 0.000 1.040 388 I HN 0.372 nan 8.210 nan 0.000 0.405 389 K N 1.217 121.618 120.400 0.002 0.000 2.020 389 K HA -0.236 4.034 4.320 -0.083 0.000 0.212 389 K C 2.159 178.771 176.600 0.021 0.000 1.050 389 K CA 1.761 58.054 56.287 0.010 0.000 0.929 389 K CB -0.187 32.319 32.500 0.010 0.000 0.714 389 K HN 0.380 nan 8.250 nan 0.000 0.443 390 Q N 0.013 119.829 119.800 0.026 0.000 2.002 390 Q HA -0.149 4.141 4.340 -0.083 0.000 0.204 390 Q C 1.965 178.003 176.000 0.063 0.000 0.988 390 Q CA 1.696 57.524 55.803 0.042 0.000 0.843 390 Q CB -0.340 28.424 28.738 0.043 0.000 0.908 390 Q HN 0.425 nan 8.270 nan 0.000 0.420 391 N N 0.185 118.930 118.700 0.075 0.000 2.364 391 N HA -0.105 4.585 4.740 -0.083 0.000 0.183 391 N C 1.669 177.198 175.510 0.033 0.000 1.022 391 N CA 0.822 53.944 53.050 0.120 0.000 0.883 391 N CB -0.188 38.397 38.487 0.162 0.000 0.965 391 N HN 0.269 nan 8.380 nan 0.000 0.438 392 c N 0.859 119.461 118.600 0.003 0.000 2.475 392 c HA 0.049 4.569 4.570 -0.083 0.000 0.279 392 c C 2.594 176.713 174.090 0.049 0.000 1.322 392 c CA 0.037 56.363 56.329 -0.005 0.000 1.734 392 c CB -0.576 41.930 42.510 -0.007 0.000 2.005 392 c HN 0.478 nan 8.230 nan 0.000 0.495 393 E N 0.348 120.574 120.200 0.043 0.000 2.051 393 E HA -0.240 4.060 4.350 -0.083 0.000 0.192 393 E C 1.973 178.601 176.600 0.047 0.000 0.991 393 E CA 1.103 57.527 56.400 0.040 0.000 0.799 393 E CB -0.237 29.484 29.700 0.036 0.000 0.748 393 E HN 0.474 nan 8.360 nan 0.000 0.449 394 L N 0.330 121.599 121.223 0.078 0.000 2.083 394 L HA -0.159 4.131 4.340 -0.083 0.000 0.209 394 L C 2.070 178.995 176.870 0.093 0.000 1.083 394 L CA 1.466 56.376 54.840 0.117 0.000 0.752 394 L CB -0.447 41.739 42.059 0.213 0.000 0.899 394 L HN 0.094 nan 8.230 nan 0.000 0.433 395 F N 1.032 120.854 119.950 -0.212 0.000 2.134 395 F HA -0.145 4.336 4.527 -0.077 0.000 0.299 395 F C 2.506 178.192 175.800 -0.191 0.000 1.097 395 F CA 2.080 59.814 58.000 -0.444 0.000 1.264 395 F CB -0.863 37.699 39.000 -0.729 0.000 1.001 395 F HN 0.252 nan 8.300 nan 0.000 0.479 396 E N -0.216 119.921 120.200 -0.106 0.000 2.160 396 E HA -0.214 4.086 4.350 -0.083 0.000 0.195 396 E C 1.978 178.488 176.600 -0.150 0.000 0.991 396 E CA 1.630 57.948 56.400 -0.136 0.000 0.810 396 E CB -1.189 28.498 29.700 -0.022 0.000 0.742 396 E HN 0.519 nan 8.360 nan 0.000 0.466 397 Q N -1.820 117.924 119.800 -0.095 0.000 2.096 397 Q HA 0.214 4.505 4.340 -0.083 0.000 0.197 397 Q C 2.688 178.646 176.000 -0.070 0.000 0.964 397 Q CA 1.444 57.212 55.803 -0.057 0.000 0.838 397 Q CB -0.126 28.608 28.738 -0.007 0.000 0.906 397 Q HN 1.047 nan 8.270 nan 0.000 0.444 398 L N -1.433 119.743 121.223 -0.077 0.000 2.477 398 L HA 0.599 4.889 4.340 -0.083 0.000 0.220 398 L C 1.461 178.257 176.870 -0.124 0.000 1.106 398 L CA 1.095 55.909 54.840 -0.044 0.000 0.851 398 L CB -1.583 40.517 42.059 0.068 0.000 0.994 398 L HN 0.597 nan 8.230 nan 0.000 0.462 399 G N -0.785 107.798 108.800 -0.361 0.000 2.829 399 G HA2 -0.254 3.656 3.960 -0.083 0.000 0.628 399 G HA3 -0.254 3.656 3.960 -0.083 0.000 0.628 399 G C 0.474 175.141 174.900 -0.387 0.000 1.412 399 G CA 0.335 45.167 45.100 -0.447 0.000 0.864 399 G HN 0.863 nan 8.290 nan 0.000 0.544 400 E N -1.004 119.080 120.200 -0.195 0.000 2.150 400 E HA -0.141 4.159 4.350 -0.083 0.000 0.193 400 E C 1.966 178.731 176.600 0.276 0.000 0.985 400 E CA 1.732 58.261 56.400 0.216 0.000 0.814 400 E CB -0.126 29.757 29.700 0.305 0.000 0.752 400 E HN 0.646 nan 8.360 nan 0.000 0.466 401 Y N 1.249 121.603 120.300 0.089 0.000 2.153 401 Y HA -0.150 4.350 4.550 -0.084 0.000 0.289 401 Y C 2.352 178.305 175.900 0.087 0.000 1.127 401 Y CA 1.920 60.068 58.100 0.080 0.000 1.131 401 Y CB -0.340 38.145 38.460 0.041 0.000 0.995 401 Y HN -0.160 nan 8.280 nan 0.000 0.505 402 K N -0.234 120.129 120.400 -0.062 0.000 2.211 402 K HA -0.119 4.152 4.320 -0.083 0.000 0.203 402 K C 1.891 178.474 176.600 -0.029 0.000 1.050 402 K CA 1.135 57.338 56.287 -0.140 0.000 0.945 402 K CB -1.237 31.261 32.500 -0.003 0.000 0.732 402 K HN 0.539 nan 8.250 nan 0.000 0.451 403 F N 2.088 122.015 119.950 -0.038 0.000 2.186 403 F HA -0.134 4.341 4.527 -0.088 0.000 0.299 403 F C 2.287 178.096 175.800 0.015 0.000 1.090 403 F CA 1.497 59.532 58.000 0.059 0.000 1.307 403 F CB -0.194 38.978 39.000 0.286 0.000 1.019 403 F HN 0.147 nan 8.300 nan 0.000 0.489 404 Q N -0.132 119.685 119.800 0.027 0.000 2.124 404 Q HA -0.203 4.087 4.340 -0.083 0.000 0.202 404 Q C 1.874 177.749 176.000 -0.208 0.000 0.977 404 Q CA 1.510 57.252 55.803 -0.102 0.000 0.850 404 Q CB -0.286 28.436 28.738 -0.028 0.000 0.901 404 Q HN 0.393 nan 8.270 nan 0.000 0.429 405 N N 0.718 119.258 118.700 -0.266 0.000 2.120 405 N HA -0.129 4.561 4.740 -0.083 0.000 0.188 405 N C 1.617 177.015 175.510 -0.186 0.000 1.024 405 N CA 1.399 54.298 53.050 -0.252 0.000 0.852 405 N CB -0.439 37.852 38.487 -0.326 0.000 1.003 405 N HN 0.238 nan 8.380 nan 0.000 0.424 406 A N 0.974 123.672 122.820 -0.204 0.000 1.933 406 A HA -0.050 4.220 4.320 -0.083 0.000 0.218 406 A C 2.344 179.803 177.584 -0.209 0.000 1.175 406 A CA 0.939 52.864 52.037 -0.187 0.000 0.628 406 A CB -0.694 18.188 19.000 -0.197 0.000 0.814 406 A HN 0.222 nan 8.150 nan 0.000 0.444 407 L N -0.853 120.191 121.223 -0.298 0.000 2.109 407 L HA -0.119 4.172 4.340 -0.083 0.000 0.207 407 L C 2.512 179.352 176.870 -0.051 0.000 1.086 407 L CA 0.744 55.467 54.840 -0.195 0.000 0.760 407 L CB -0.412 41.460 42.059 -0.311 0.000 0.910 407 L HN 0.369 nan 8.230 nan 0.000 0.437 408 L N -1.007 120.158 121.223 -0.098 0.000 2.046 408 L HA -0.215 4.075 4.340 -0.083 0.000 0.208 408 L C 2.480 179.337 176.870 -0.021 0.000 1.077 408 L CA 0.986 55.792 54.840 -0.055 0.000 0.747 408 L CB -0.468 41.545 42.059 -0.077 0.000 0.896 408 L HN 0.075 nan 8.230 nan 0.000 0.432 409 V N -0.644 119.245 119.914 -0.042 0.000 2.358 409 V HA -0.220 3.850 4.120 -0.083 0.000 0.246 409 V C 2.678 178.751 176.094 -0.035 0.000 1.047 409 V CA 1.440 63.721 62.300 -0.031 0.000 1.035 409 V CB -0.656 31.145 31.823 -0.038 0.000 0.658 409 V HN 0.398 nan 8.190 nan 0.000 0.452 410 R N -0.677 119.799 120.500 -0.040 0.000 2.070 410 R HA -0.150 4.141 4.340 -0.083 0.000 0.233 410 R C 2.217 178.435 176.300 -0.136 0.000 1.137 410 R CA 1.865 57.917 56.100 -0.081 0.000 0.945 410 R CB -0.902 29.354 30.300 -0.073 0.000 0.845 410 R HN 0.530 nan 8.270 nan 0.000 0.430 411 Y N 0.844 121.080 120.300 -0.107 0.000 2.314 411 Y HA -0.089 4.416 4.550 -0.075 0.000 0.293 411 Y C 2.570 178.411 175.900 -0.099 0.000 1.129 411 Y CA 1.343 59.380 58.100 -0.104 0.000 1.201 411 Y CB -0.313 38.064 38.460 -0.137 0.000 0.999 411 Y HN 0.056 nan 8.280 nan 0.000 0.541 412 T N -0.354 114.213 114.554 0.022 0.000 2.867 412 T HA -0.136 4.165 4.350 -0.083 0.000 0.268 412 T C 1.785 176.424 174.700 -0.102 0.000 1.057 412 T CA 1.224 63.301 62.100 -0.038 0.000 1.136 412 T CB -0.083 68.769 68.868 -0.027 0.000 0.874 412 T HN 0.278 nan 8.240 nan 0.000 0.466 413 K N 0.770 121.115 120.400 -0.092 0.000 2.155 413 K HA 0.041 4.311 4.320 -0.083 0.000 0.203 413 K C 2.354 178.876 176.600 -0.129 0.000 1.052 413 K CA 0.832 57.056 56.287 -0.106 0.000 0.948 413 K CB 0.038 32.492 32.500 -0.076 0.000 0.728 413 K HN 0.250 nan 8.250 nan 0.000 0.448 414 K N 0.524 120.833 120.400 -0.152 0.000 2.001 414 K HA -0.071 4.199 4.320 -0.083 0.000 0.208 414 K C 0.918 177.455 176.600 -0.105 0.000 1.048 414 K CA 1.306 57.502 56.287 -0.151 0.000 0.932 414 K CB 0.244 32.592 32.500 -0.254 0.000 0.715 414 K HN 0.045 nan 8.250 nan 0.000 0.437 415 V N -1.764 118.094 119.914 -0.094 0.000 2.384 415 V HA 0.246 4.317 4.120 -0.083 0.000 0.257 415 V C -2.662 173.351 176.094 -0.134 0.000 0.969 415 V CA -1.608 60.646 62.300 -0.077 0.000 0.910 415 V CB 1.135 32.959 31.823 0.001 0.000 1.150 415 V HN -0.061 nan 8.190 nan 0.000 0.481 416 P HA -0.111 nan 4.420 nan 0.000 0.221 416 P C 1.380 178.506 177.300 -0.290 0.000 1.145 416 P CA 1.356 64.166 63.100 -0.482 0.000 0.795 416 P CB 0.268 31.175 31.700 -1.322 0.000 0.775 417 Q N -0.921 118.793 119.800 -0.143 0.000 2.230 417 Q HA -0.005 4.285 4.340 -0.083 0.000 0.202 417 Q C 0.616 176.649 176.000 0.055 0.000 0.963 417 Q CA 0.423 56.241 55.803 0.025 0.000 0.866 417 Q CB -0.882 27.909 28.738 0.087 0.000 0.931 417 Q HN 0.093 nan 8.270 nan 0.000 0.452 418 V N 2.430 122.370 119.914 0.044 0.000 2.694 418 V HA -0.058 4.012 4.120 -0.083 0.000 0.306 418 V C 0.531 176.653 176.094 0.047 0.000 1.054 418 V CA -0.037 62.309 62.300 0.077 0.000 1.161 418 V CB 0.524 32.377 31.823 0.050 0.000 0.916 418 V HN 0.392 nan 8.190 nan 0.000 0.490 419 S N 3.007 118.739 115.700 0.054 0.000 2.552 419 S HA -0.024 4.397 4.470 -0.083 0.000 0.289 419 S C 1.252 175.859 174.600 0.012 0.000 1.304 419 S CA 0.150 58.369 58.200 0.031 0.000 1.063 419 S CB 0.682 63.898 63.200 0.025 0.000 0.848 419 S HN 0.805 nan 8.310 nan 0.000 0.499 420 T N 4.256 118.814 114.554 0.006 0.000 2.737 420 T HA -0.045 4.255 4.350 -0.083 0.000 0.269 420 T C -0.913 173.776 174.700 -0.018 0.000 1.040 420 T CA 1.755 63.850 62.100 -0.009 0.000 1.142 420 T CB -1.395 67.464 68.868 -0.015 0.000 0.861 420 T HN 0.598 nan 8.240 nan 0.000 0.456 421 P HA -0.022 nan 4.420 nan 0.000 0.216 421 P C 1.680 178.967 177.300 -0.022 0.000 1.153 421 P CA 1.143 64.232 63.100 -0.018 0.000 0.848 421 P CB -0.242 31.450 31.700 -0.013 0.000 0.787 422 T N -0.148 114.397 114.554 -0.016 0.000 2.746 422 T HA -0.107 4.193 4.350 -0.083 0.000 0.267 422 T C 1.791 176.460 174.700 -0.052 0.000 1.039 422 T CA 1.087 63.172 62.100 -0.024 0.000 1.142 422 T CB -0.976 67.892 68.868 0.000 0.000 0.866 422 T HN 0.033 nan 8.240 nan 0.000 0.444 423 L N 0.604 121.800 121.223 -0.045 0.000 2.017 423 L HA -0.106 4.184 4.340 -0.083 0.000 0.208 423 L C 2.717 179.537 176.870 -0.083 0.000 1.073 423 L CA 1.006 55.806 54.840 -0.066 0.000 0.745 423 L CB -0.723 41.314 42.059 -0.036 0.000 0.894 423 L HN 0.141 nan 8.230 nan 0.000 0.432 424 V N -0.015 119.865 119.914 -0.058 0.000 2.255 424 V HA -0.317 3.753 4.120 -0.083 0.000 0.247 424 V C 2.539 178.597 176.094 -0.061 0.000 1.051 424 V CA 2.158 64.426 62.300 -0.054 0.000 1.018 424 V CB -0.462 31.340 31.823 -0.035 0.000 0.641 424 V HN 0.480 nan 8.190 nan 0.000 0.445 425 E N 0.330 120.498 120.200 -0.054 0.000 2.038 425 E HA -0.197 4.103 4.350 -0.083 0.000 0.195 425 E C 2.049 178.597 176.600 -0.088 0.000 1.000 425 E CA 2.094 58.463 56.400 -0.051 0.000 0.803 425 E CB -0.573 29.106 29.700 -0.036 0.000 0.750 425 E HN 0.303 nan 8.360 nan 0.000 0.448 426 V N 0.314 120.150 119.914 -0.131 0.000 2.295 426 V HA -0.262 3.809 4.120 -0.083 0.000 0.246 426 V C 2.432 178.360 176.094 -0.276 0.000 1.049 426 V CA 2.057 64.231 62.300 -0.211 0.000 1.024 426 V CB -0.663 30.998 31.823 -0.270 0.000 0.648 426 V HN 0.273 nan 8.190 nan 0.000 0.447 427 S N -0.632 114.908 115.700 -0.266 0.000 2.382 427 S HA -0.166 4.254 4.470 -0.083 0.000 0.228 427 S C 2.053 176.544 174.600 -0.181 0.000 1.027 427 S CA 1.312 59.344 58.200 -0.280 0.000 0.991 427 S CB -0.288 62.786 63.200 -0.210 0.000 0.823 427 S HN 0.538 nan 8.310 nan 0.000 0.469 428 R N 1.551 121.983 120.500 -0.112 0.000 2.073 428 R HA -0.031 4.260 4.340 -0.083 0.000 0.234 428 R C 1.956 178.224 176.300 -0.052 0.000 1.134 428 R CA 1.495 57.568 56.100 -0.046 0.000 0.952 428 R CB -0.516 29.779 30.300 -0.009 0.000 0.850 428 R HN 0.342 nan 8.270 nan 0.000 0.433 429 N N 1.002 119.649 118.700 -0.087 0.000 2.166 429 N HA -0.132 4.558 4.740 -0.083 0.000 0.186 429 N C 1.904 177.278 175.510 -0.228 0.000 1.019 429 N CA 1.074 54.060 53.050 -0.107 0.000 0.856 429 N CB -0.288 38.142 38.487 -0.094 0.000 0.993 429 N HN 0.200 nan 8.380 nan 0.000 0.426 430 L N 0.163 121.231 121.223 -0.258 0.000 2.083 430 L HA -0.076 4.214 4.340 -0.083 0.000 0.209 430 L C 2.349 179.122 176.870 -0.162 0.000 1.083 430 L CA 1.246 55.908 54.840 -0.296 0.000 0.752 430 L CB -0.786 41.061 42.059 -0.352 0.000 0.899 430 L HN 0.229 nan 8.230 nan 0.000 0.433 431 G N -0.217 108.550 108.800 -0.055 0.000 2.422 431 G HA2 -0.220 3.690 3.960 -0.083 0.000 0.218 431 G HA3 -0.220 3.690 3.960 -0.083 0.000 0.218 431 G C 1.650 176.587 174.900 0.061 0.000 1.140 431 G CA 0.316 45.523 45.100 0.178 0.000 0.775 431 G HN 0.301 nan 8.290 nan 0.000 0.545 432 K N 0.084 120.465 120.400 -0.032 0.000 2.280 432 K HA 0.019 4.289 4.320 -0.083 0.000 0.202 432 K C 2.423 178.942 176.600 -0.134 0.000 1.047 432 K CA 0.527 56.802 56.287 -0.020 0.000 0.942 432 K CB -0.059 32.476 32.500 0.059 0.000 0.739 432 K HN 0.231 nan 8.250 nan 0.000 0.457 433 V N 0.712 120.411 119.914 -0.359 0.000 2.490 433 V HA -0.197 3.873 4.120 -0.083 0.000 0.250 433 V C 2.309 178.180 176.094 -0.371 0.000 1.061 433 V CA 2.159 64.223 62.300 -0.394 0.000 1.064 433 V CB -0.802 30.726 31.823 -0.491 0.000 0.670 433 V HN 0.478 nan 8.190 nan 0.000 0.461 434 G N -0.511 107.867 108.800 -0.704 0.000 2.408 434 G HA2 -0.194 3.717 3.960 -0.083 0.000 0.217 434 G HA3 -0.194 3.717 3.960 -0.083 0.000 0.217 434 G C 1.799 176.015 174.900 -1.140 0.000 1.150 434 G CA 1.106 45.329 45.100 -1.462 0.000 0.776 434 G HN 0.543 nan 8.290 nan 0.000 0.542 435 S N 0.142 115.492 115.700 -0.583 0.000 2.357 435 S HA -0.023 4.398 4.470 -0.083 0.000 0.221 435 S C 2.088 176.722 174.600 0.055 0.000 1.031 435 S CA 1.269 59.496 58.200 0.047 0.000 0.982 435 S CB -0.144 63.182 63.200 0.209 0.000 0.853 435 S HN 0.472 nan 8.310 nan 0.000 0.458 436 K N 0.227 120.652 120.400 0.042 0.000 2.155 436 K HA -0.023 4.248 4.320 -0.083 0.000 0.203 436 K C 1.641 178.270 176.600 0.048 0.000 1.052 436 K CA 1.308 57.654 56.287 0.100 0.000 0.948 436 K CB -0.112 32.493 32.500 0.175 0.000 0.728 436 K HN 0.375 nan 8.250 nan 0.000 0.448 437 c N -0.815 117.756 118.600 -0.048 0.000 2.464 437 c HA 0.132 4.652 4.570 -0.083 0.000 0.348 437 c C 2.598 176.661 174.090 -0.044 0.000 1.367 437 c CA -0.470 55.774 56.329 -0.143 0.000 2.012 437 c CB -0.500 41.917 42.510 -0.155 0.000 2.434 437 c HN 0.605 nan 8.230 nan 0.000 0.536 438 c N 1.802 120.366 118.600 -0.060 0.000 2.403 438 c HA -0.103 4.417 4.570 -0.083 0.000 0.282 438 c C 3.082 177.235 174.090 0.106 0.000 1.297 438 c CA 1.953 58.286 56.329 0.008 0.000 1.785 438 c CB -1.464 41.048 42.510 0.003 0.000 1.963 438 c HN 0.749 nan 8.230 nan 0.000 0.507 439 K N -0.146 120.354 120.400 0.167 0.000 2.360 439 K HA -0.084 4.186 4.320 -0.083 0.000 0.201 439 K C 0.560 177.246 176.600 0.143 0.000 1.046 439 K CA 1.191 57.568 56.287 0.149 0.000 0.945 439 K CB -0.755 31.822 32.500 0.128 0.000 0.750 439 K HN 0.748 nan 8.250 nan 0.000 0.464 440 H N 0.225 119.300 119.070 0.009 0.000 2.607 440 H HA 0.300 4.808 4.556 -0.080 0.000 0.367 440 H C -2.131 173.200 175.328 0.005 0.000 1.181 440 H CA -1.939 54.112 56.048 0.005 0.000 1.402 440 H CB 0.873 30.636 29.762 0.001 0.000 1.474 440 H HN 0.193 nan 8.280 nan 0.000 0.596 441 P HA -0.003 nan 4.420 nan 0.000 0.277 441 P C 0.506 177.848 177.300 0.071 0.000 1.240 441 P CA -0.268 62.871 63.100 0.065 0.000 0.798 441 P CB 1.283 33.004 31.700 0.034 0.000 0.979 442 E N 1.640 121.869 120.200 0.049 0.000 2.172 442 E HA -0.310 3.991 4.350 -0.083 0.000 0.213 442 E C 2.101 178.729 176.600 0.048 0.000 1.051 442 E CA 2.423 58.848 56.400 0.042 0.000 0.860 442 E CB -1.472 28.249 29.700 0.035 0.000 0.755 442 E HN 0.716 nan 8.360 nan 0.000 0.462 443 A N 0.385 123.233 122.820 0.047 0.000 1.917 443 A HA -0.244 4.026 4.320 -0.083 0.000 0.219 443 A C 2.201 179.815 177.584 0.051 0.000 1.182 443 A CA 2.232 54.296 52.037 0.045 0.000 0.633 443 A CB -0.390 18.627 19.000 0.028 0.000 0.819 443 A HN 0.339 nan 8.150 nan 0.000 0.448 444 K N -1.093 119.349 120.400 0.070 0.000 2.358 444 K HA 0.226 4.497 4.320 -0.083 0.000 0.197 444 K C 1.816 178.420 176.600 0.008 0.000 1.025 444 K CA 0.324 56.653 56.287 0.069 0.000 1.104 444 K CB -0.005 32.595 32.500 0.167 0.000 0.855 444 K HN 0.619 nan 8.250 nan 0.000 0.531 445 R N 0.314 120.821 120.500 0.012 0.000 2.073 445 R HA 0.052 4.342 4.340 -0.083 0.000 0.234 445 R C 2.420 178.685 176.300 -0.058 0.000 1.134 445 R CA 1.905 57.981 56.100 -0.040 0.000 0.952 445 R CB -0.309 29.986 30.300 -0.008 0.000 0.850 445 R HN 0.263 nan 8.270 nan 0.000 0.433 446 M N 0.393 119.975 119.600 -0.029 0.000 2.067 446 M HA -0.109 4.321 4.480 -0.083 0.000 0.260 446 M C -0.927 175.343 176.300 -0.050 0.000 1.069 446 M CA 1.948 57.223 55.300 -0.041 0.000 1.117 446 M CB -0.777 31.804 32.600 -0.032 0.000 1.334 446 M HN -0.050 nan 8.290 nan 0.000 0.407 447 P HA -0.178 nan 4.420 nan 0.000 0.215 447 P C 1.685 178.953 177.300 -0.054 0.000 1.157 447 P CA 1.350 64.421 63.100 -0.048 0.000 0.874 447 P CB -0.334 31.342 31.700 -0.041 0.000 0.790 448 c N -0.331 118.215 118.600 -0.090 0.000 2.386 448 c HA -0.175 4.346 4.570 -0.083 0.000 0.279 448 c C 2.846 176.916 174.090 -0.034 0.000 1.208 448 c CA 2.017 58.274 56.329 -0.121 0.000 1.747 448 c CB -1.653 40.679 42.510 -0.297 0.000 2.046 448 c HN 0.232 nan 8.230 nan 0.000 0.453 449 A N -0.511 122.278 122.820 -0.052 0.000 1.851 449 A HA -0.233 4.038 4.320 -0.083 0.000 0.216 449 A C 2.090 179.676 177.584 0.003 0.000 1.195 449 A CA 2.135 54.156 52.037 -0.027 0.000 0.622 449 A CB -0.993 17.971 19.000 -0.059 0.000 0.831 449 A HN 0.796 nan 8.150 nan 0.000 0.444 450 E N -0.324 119.867 120.200 -0.015 0.000 2.152 450 E HA -0.181 4.119 4.350 -0.083 0.000 0.192 450 E C 1.491 178.116 176.600 0.041 0.000 0.983 450 E CA 1.066 57.462 56.400 -0.007 0.000 0.818 450 E CB -0.037 29.632 29.700 -0.053 0.000 0.758 450 E HN 0.793 nan 8.360 nan 0.000 0.467 451 D N -0.350 120.083 120.400 0.056 0.000 2.277 451 D HA -0.207 4.383 4.640 -0.083 0.000 0.208 451 D C 1.713 178.110 176.300 0.161 0.000 0.962 451 D CA 0.644 54.719 54.000 0.125 0.000 0.865 451 D CB -0.435 40.430 40.800 0.108 0.000 0.939 451 D HN 0.213 nan 8.370 nan 0.000 0.510 452 Y N 1.304 121.589 120.300 -0.025 0.000 2.286 452 Y HA 0.139 4.625 4.550 -0.107 0.000 0.293 452 Y C 2.123 177.998 175.900 -0.041 0.000 1.124 452 Y CA 0.419 58.494 58.100 -0.042 0.000 1.178 452 Y CB -0.488 37.932 38.460 -0.066 0.000 1.010 452 Y HN -0.069 nan 8.280 nan 0.000 0.536 453 L N -1.141 120.124 121.223 0.070 0.000 2.131 453 L HA -0.211 4.079 4.340 -0.083 0.000 0.210 453 L C 2.551 179.434 176.870 0.022 0.000 1.092 453 L CA 1.312 56.133 54.840 -0.033 0.000 0.759 453 L CB -0.631 41.413 42.059 -0.026 0.000 0.903 453 L HN 0.026 nan 8.230 nan 0.000 0.435 454 S N -0.585 115.166 115.700 0.085 0.000 2.356 454 S HA -0.162 4.259 4.470 -0.083 0.000 0.223 454 S C 2.020 176.649 174.600 0.049 0.000 1.032 454 S CA 1.329 59.588 58.200 0.100 0.000 1.005 454 S CB -0.156 63.163 63.200 0.198 0.000 0.867 454 S HN 0.160 nan 8.310 nan 0.000 0.449 455 V N 1.359 121.312 119.914 0.064 0.000 2.295 455 V HA -0.135 3.936 4.120 -0.083 0.000 0.246 455 V C 2.309 178.414 176.094 0.020 0.000 1.049 455 V CA 1.533 63.852 62.300 0.033 0.000 1.024 455 V CB -0.700 31.167 31.823 0.073 0.000 0.648 455 V HN 0.334 nan 8.190 nan 0.000 0.447 456 V N -0.187 119.740 119.914 0.021 0.000 2.295 456 V HA -0.247 3.824 4.120 -0.083 0.000 0.246 456 V C 2.269 178.290 176.094 -0.122 0.000 1.049 456 V CA 1.908 64.166 62.300 -0.070 0.000 1.024 456 V CB -0.594 31.124 31.823 -0.175 0.000 0.648 456 V HN 0.447 nan 8.190 nan 0.000 0.447 457 L N 0.413 121.561 121.223 -0.124 0.000 2.275 457 L HA -0.138 4.153 4.340 -0.083 0.000 0.215 457 L C 2.313 179.147 176.870 -0.059 0.000 1.119 457 L CA 1.461 56.204 54.840 -0.162 0.000 0.790 457 L CB -0.679 41.322 42.059 -0.096 0.000 0.919 457 L HN 0.440 nan 8.230 nan 0.000 0.443 458 N N -0.077 118.611 118.700 -0.021 0.000 2.270 458 N HA -0.205 4.486 4.740 -0.083 0.000 0.181 458 N C 1.880 177.377 175.510 -0.022 0.000 1.016 458 N CA 0.884 53.935 53.050 0.001 0.000 0.870 458 N CB 0.082 38.555 38.487 -0.024 0.000 0.979 458 N HN 0.259 nan 8.380 nan 0.000 0.431 459 Q N -0.192 119.582 119.800 -0.043 0.000 2.050 459 Q HA -0.160 4.131 4.340 -0.083 0.000 0.202 459 Q C 1.962 177.937 176.000 -0.041 0.000 0.980 459 Q CA 1.379 57.158 55.803 -0.040 0.000 0.840 459 Q CB -0.219 28.493 28.738 -0.043 0.000 0.898 459 Q HN 0.446 nan 8.270 nan 0.000 0.424 460 L N 0.435 121.608 121.223 -0.085 0.000 2.079 460 L HA -0.189 4.102 4.340 -0.083 0.000 0.210 460 L C 2.217 179.088 176.870 0.001 0.000 1.081 460 L CA 1.809 56.594 54.840 -0.091 0.000 0.752 460 L CB -0.799 41.119 42.059 -0.236 0.000 0.896 460 L HN 0.335 nan 8.230 nan 0.000 0.433 461 c N -1.301 117.315 118.600 0.028 0.000 2.446 461 c HA -0.083 4.437 4.570 -0.083 0.000 0.277 461 c C 2.823 176.971 174.090 0.096 0.000 1.275 461 c CA 0.872 57.264 56.329 0.105 0.000 1.727 461 c CB -1.010 41.579 42.510 0.131 0.000 2.010 461 c HN 0.641 nan 8.230 nan 0.000 0.486 462 V N -0.602 119.335 119.914 0.038 0.000 2.591 462 V HA -0.050 4.020 4.120 -0.083 0.000 0.249 462 V C 2.045 178.155 176.094 0.026 0.000 1.053 462 V CA 1.684 63.989 62.300 0.009 0.000 1.068 462 V CB -0.945 30.849 31.823 -0.050 0.000 0.689 462 V HN 0.551 nan 8.190 nan 0.000 0.462 463 L N 0.121 121.366 121.223 0.036 0.000 2.093 463 L HA -0.099 4.191 4.340 -0.083 0.000 0.208 463 L C 2.755 179.663 176.870 0.064 0.000 1.085 463 L CA 2.248 57.110 54.840 0.037 0.000 0.755 463 L CB -0.826 41.249 42.059 0.027 0.000 0.904 463 L HN 0.484 nan 8.230 nan 0.000 0.435 464 H N 0.100 119.170 119.070 -0.000 0.000 2.436 464 H HA -0.170 4.334 4.556 -0.086 0.000 0.294 464 H C 2.189 177.523 175.328 0.011 0.000 1.048 464 H CA 1.478 57.533 56.048 0.012 0.000 1.353 464 H CB 0.252 30.034 29.762 0.032 0.000 1.414 464 H HN 0.295 nan 8.280 nan 0.000 0.536 465 E N 0.546 120.772 120.200 0.044 0.000 2.265 465 E HA -0.204 4.097 4.350 -0.083 0.000 0.196 465 E C 2.064 178.615 176.600 -0.083 0.000 0.996 465 E CA 0.763 57.148 56.400 -0.025 0.000 0.832 465 E CB 0.003 29.711 29.700 0.014 0.000 0.756 465 E HN 0.407 nan 8.360 nan 0.000 0.491 466 K N -0.164 120.194 120.400 -0.071 0.000 2.057 466 K HA -0.066 4.205 4.320 -0.083 0.000 0.206 466 K C -0.114 176.430 176.600 -0.093 0.000 1.050 466 K CA 1.568 57.816 56.287 -0.064 0.000 0.935 466 K CB 0.251 32.729 32.500 -0.036 0.000 0.715 466 K HN 0.054 nan 8.250 nan 0.000 0.439 467 T N 2.769 117.234 114.554 -0.149 0.000 3.201 467 T HA 0.221 4.521 4.350 -0.083 0.000 0.338 467 T C -2.792 171.733 174.700 -0.293 0.000 1.095 467 T CA -1.280 60.727 62.100 -0.155 0.000 1.426 467 T CB 1.626 70.441 68.868 -0.090 0.000 0.956 467 T HN 0.088 nan 8.240 nan 0.000 0.551 468 P HA 0.165 nan 4.420 nan 0.000 0.266 468 P C 0.775 177.965 177.300 -0.183 0.000 1.215 468 P CA -0.160 62.647 63.100 -0.488 0.000 0.763 468 P CB 1.177 32.745 31.700 -0.221 0.000 0.806 469 V N 0.360 120.249 119.914 -0.043 0.000 3.497 469 V HA 0.241 4.311 4.120 -0.083 0.000 0.272 469 V C 0.716 176.929 176.094 0.198 0.000 1.474 469 V CA 0.217 62.581 62.300 0.107 0.000 1.025 469 V CB 0.277 32.163 31.823 0.104 0.000 0.820 469 V HN 0.522 nan 8.190 nan 0.000 0.437 470 S N 1.108 117.026 115.700 0.362 0.000 2.596 470 S HA 0.367 4.787 4.470 -0.083 0.000 0.318 470 S C 0.397 175.090 174.600 0.156 0.000 1.097 470 S CA -0.418 57.896 58.200 0.190 0.000 1.080 470 S CB 1.220 64.473 63.200 0.089 0.000 0.991 470 S HN 0.364 nan 8.310 nan 0.000 0.471 471 D N 4.168 124.627 120.400 0.097 0.000 2.218 471 D HA -0.080 4.510 4.640 -0.083 0.000 0.204 471 D C 1.703 178.017 176.300 0.025 0.000 0.976 471 D CA 1.021 55.061 54.000 0.066 0.000 0.853 471 D CB 0.131 40.956 40.800 0.042 0.000 0.939 471 D HN 0.607 nan 8.370 nan 0.000 0.481 472 R N 0.436 120.938 120.500 0.003 0.000 2.092 472 R HA -0.040 4.251 4.340 -0.083 0.000 0.231 472 R C 2.452 178.707 176.300 -0.075 0.000 1.119 472 R CA 0.492 56.566 56.100 -0.043 0.000 0.970 472 R CB -0.249 30.030 30.300 -0.036 0.000 0.864 472 R HN 0.058 nan 8.270 nan 0.000 0.440 473 V N 0.512 120.393 119.914 -0.054 0.000 2.307 473 V HA -0.223 3.847 4.120 -0.083 0.000 0.245 473 V C 2.122 178.198 176.094 -0.029 0.000 1.045 473 V CA 2.139 64.403 62.300 -0.059 0.000 1.024 473 V CB -0.507 31.038 31.823 -0.463 0.000 0.651 473 V HN 0.378 nan 8.190 nan 0.000 0.449 474 T N 0.042 114.613 114.554 0.029 0.000 2.635 474 T HA -0.304 3.997 4.350 -0.083 0.000 0.267 474 T C 1.928 176.643 174.700 0.026 0.000 1.040 474 T CA 2.210 64.365 62.100 0.092 0.000 1.156 474 T CB -0.271 68.670 68.868 0.121 0.000 0.863 474 T HN 0.533 nan 8.240 nan 0.000 0.430 475 K N 0.312 120.701 120.400 -0.017 0.000 2.009 475 K HA -0.130 4.140 4.320 -0.083 0.000 0.210 475 K C 2.417 178.961 176.600 -0.094 0.000 1.049 475 K CA 1.773 58.032 56.287 -0.046 0.000 0.929 475 K CB -0.634 31.829 32.500 -0.062 0.000 0.714 475 K HN 0.311 nan 8.250 nan 0.000 0.440 476 c N 0.425 118.894 118.600 -0.217 0.000 2.419 476 c HA -0.055 4.466 4.570 -0.083 0.000 0.283 476 c C 2.720 176.708 174.090 -0.169 0.000 1.373 476 c CA 0.441 56.538 56.329 -0.385 0.000 1.781 476 c CB -1.035 40.834 42.510 -1.068 0.000 1.886 476 c HN 0.684 nan 8.230 nan 0.000 0.520 477 c N 0.030 118.628 118.600 -0.004 0.000 2.504 477 c HA 0.005 4.526 4.570 -0.083 0.000 0.279 477 c C 2.707 176.914 174.090 0.194 0.000 1.358 477 c CA 1.569 57.990 56.329 0.153 0.000 1.747 477 c CB -1.278 41.344 42.510 0.187 0.000 2.037 477 c HN 0.816 nan 8.230 nan 0.000 0.503 478 T N -2.205 112.421 114.554 0.120 0.000 2.990 478 T HA 0.023 4.323 4.350 -0.083 0.000 0.250 478 T C 1.504 176.301 174.700 0.160 0.000 1.041 478 T CA 0.543 62.713 62.100 0.117 0.000 1.010 478 T CB -0.261 68.616 68.868 0.015 0.000 1.003 478 T HN 0.568 nan 8.240 nan 0.000 0.499 479 E N 1.359 121.624 120.200 0.108 0.000 2.072 479 E HA -0.034 4.267 4.350 -0.083 0.000 0.191 479 E C 0.331 177.011 176.600 0.134 0.000 0.985 479 E CA 0.765 57.216 56.400 0.085 0.000 0.801 479 E CB 0.138 29.847 29.700 0.015 0.000 0.750 479 E HN 0.463 nan 8.360 nan 0.000 0.452 480 S N -1.100 114.682 115.700 0.138 0.000 2.543 480 S HA 0.166 4.586 4.470 -0.083 0.000 0.273 480 S C -0.032 174.518 174.600 -0.083 0.000 1.152 480 S CA -0.791 57.441 58.200 0.053 0.000 0.910 480 S CB 1.307 64.501 63.200 -0.011 0.000 1.105 480 S HN 0.173 nan 8.310 nan 0.000 0.465 481 L N 6.038 126.982 121.223 -0.465 0.000 2.044 481 L HA 0.154 4.444 4.340 -0.083 0.000 0.205 481 L C 2.384 179.141 176.870 -0.189 0.000 1.075 481 L CA 2.727 57.194 54.840 -0.622 0.000 0.747 481 L CB -0.709 40.612 42.059 -1.231 0.000 0.903 481 L HN 0.896 nan 8.230 nan 0.000 0.435 482 V N -2.570 117.254 119.914 -0.151 0.000 2.970 482 V HA -0.057 4.013 4.120 -0.083 0.000 0.260 482 V C 1.303 177.350 176.094 -0.078 0.000 1.100 482 V CA 1.841 64.086 62.300 -0.091 0.000 1.122 482 V CB -1.179 30.558 31.823 -0.145 0.000 0.721 482 V HN 0.608 nan 8.190 nan 0.000 0.483 483 N N -0.111 118.548 118.700 -0.068 0.000 2.251 483 N HA 0.264 4.954 4.740 -0.083 0.000 0.217 483 N C 1.526 177.018 175.510 -0.030 0.000 1.124 483 N CA -0.229 52.788 53.050 -0.055 0.000 0.843 483 N CB 0.124 38.573 38.487 -0.063 0.000 1.024 483 N HN 0.433 nan 8.380 nan 0.000 0.501 484 R N 0.659 121.168 120.500 0.014 0.000 2.081 484 R HA -0.028 4.262 4.340 -0.083 0.000 0.235 484 R C 2.154 178.558 176.300 0.173 0.000 1.131 484 R CA 0.970 57.122 56.100 0.086 0.000 0.960 484 R CB -0.062 30.348 30.300 0.184 0.000 0.856 484 R HN 0.172 nan 8.270 nan 0.000 0.436 485 R N 0.827 121.409 120.500 0.138 0.000 2.073 485 R HA -0.069 4.221 4.340 -0.083 0.000 0.234 485 R C -0.856 175.503 176.300 0.099 0.000 1.134 485 R CA 1.560 57.749 56.100 0.148 0.000 0.952 485 R CB -1.257 29.087 30.300 0.073 0.000 0.850 485 R HN 0.154 nan 8.270 nan 0.000 0.433 486 P HA -0.082 nan 4.420 nan 0.000 0.217 486 P C 1.658 178.938 177.300 -0.033 0.000 1.150 486 P CA 0.834 63.926 63.100 -0.012 0.000 0.832 486 P CB -0.237 31.437 31.700 -0.043 0.000 0.787 487 c N -1.665 116.889 118.600 -0.076 0.000 2.436 487 c HA -0.143 4.377 4.570 -0.083 0.000 0.277 487 c C 2.401 176.365 174.090 -0.210 0.000 1.241 487 c CA 0.742 56.962 56.329 -0.181 0.000 1.721 487 c CB -2.066 40.270 42.510 -0.290 0.000 2.043 487 c HN 0.064 nan 8.230 nan 0.000 0.472 488 F N 1.149 121.086 119.950 -0.021 0.000 2.171 488 F HA -0.091 4.388 4.527 -0.080 0.000 0.300 488 F C 2.863 178.607 175.800 -0.094 0.000 1.090 488 F CA 1.915 59.894 58.000 -0.034 0.000 1.293 488 F CB -0.971 38.072 39.000 0.071 0.000 1.013 488 F HN 0.157 nan 8.300 nan 0.000 0.486 489 S N -0.504 115.263 115.700 0.112 0.000 2.368 489 S HA -0.152 4.269 4.470 -0.083 0.000 0.225 489 S C 2.293 176.875 174.600 -0.030 0.000 1.030 489 S CA 1.016 59.233 58.200 0.029 0.000 0.999 489 S CB -0.540 62.680 63.200 0.033 0.000 0.844 489 S HN 0.344 nan 8.310 nan 0.000 0.459 490 A N 0.766 123.562 122.820 -0.041 0.000 2.067 490 A HA 0.178 4.449 4.320 -0.083 0.000 0.219 490 A C 0.828 178.369 177.584 -0.071 0.000 1.158 490 A CA 0.488 52.491 52.037 -0.057 0.000 0.661 490 A CB -0.424 18.539 19.000 -0.063 0.000 0.801 490 A HN 0.446 nan 8.150 nan 0.000 0.452 491 L N -0.162 121.009 121.223 -0.087 0.000 2.456 491 L HA 0.166 4.456 4.340 -0.083 0.000 0.272 491 L C 1.278 178.085 176.870 -0.105 0.000 1.189 491 L CA -0.337 54.446 54.840 -0.095 0.000 0.846 491 L CB 0.707 42.707 42.059 -0.098 0.000 1.111 491 L HN 0.363 nan 8.230 nan 0.000 0.475 492 E N 2.389 122.538 120.200 -0.086 0.000 2.513 492 E HA 0.205 4.505 4.350 -0.083 0.000 0.225 492 E C -0.719 175.831 176.600 -0.082 0.000 1.019 492 E CA 0.150 56.501 56.400 -0.081 0.000 1.041 492 E CB 0.614 30.281 29.700 -0.054 0.000 2.093 492 E HN 0.308 nan 8.360 nan 0.000 0.551 493 V N 0.276 120.157 119.914 -0.056 0.000 2.709 493 V HA 0.512 4.583 4.120 -0.083 0.000 0.308 493 V C -1.022 175.057 176.094 -0.026 0.000 1.062 493 V CA -0.949 61.324 62.300 -0.046 0.000 0.901 493 V CB 1.794 33.602 31.823 -0.026 0.000 1.003 493 V HN 0.292 nan 8.190 nan 0.000 0.425 494 D N 3.509 123.894 120.400 -0.024 0.000 2.348 494 D HA 0.155 4.745 4.640 -0.083 0.000 0.259 494 D C 1.067 177.406 176.300 0.065 0.000 1.296 494 D CA 0.405 54.412 54.000 0.011 0.000 0.931 494 D CB 1.163 41.964 40.800 0.001 0.000 1.067 494 D HN 0.795 nan 8.370 nan 0.000 0.503 495 E N 1.016 121.242 120.200 0.044 0.000 2.268 495 E HA -0.122 4.178 4.350 -0.083 0.000 0.195 495 E C 1.683 178.318 176.600 0.060 0.000 0.995 495 E CA 1.035 57.463 56.400 0.046 0.000 0.836 495 E CB 0.197 29.910 29.700 0.021 0.000 0.763 495 E HN 0.561 nan 8.360 nan 0.000 0.491 496 T N -1.817 112.780 114.554 0.071 0.000 3.081 496 T HA -0.094 4.206 4.350 -0.083 0.000 0.255 496 T C 0.575 175.332 174.700 0.096 0.000 1.113 496 T CA -0.326 61.812 62.100 0.063 0.000 1.082 496 T CB -0.315 68.583 68.868 0.050 0.000 0.939 496 T HN 0.073 nan 8.240 nan 0.000 0.506 497 Y N 3.901 124.201 120.300 0.001 0.000 2.717 497 Y HA 0.336 4.838 4.550 -0.080 0.000 0.330 497 Y C 0.112 176.013 175.900 0.003 0.000 1.217 497 Y CA -1.323 56.781 58.100 0.006 0.000 1.506 497 Y CB 0.464 38.928 38.460 0.007 0.000 1.268 497 Y HN 0.203 nan 8.280 nan 0.000 0.561 498 V N 6.492 126.004 119.914 -0.670 0.000 2.370 498 V HA 0.539 4.609 4.120 -0.083 0.000 0.279 498 V C -2.519 173.003 176.094 -0.953 0.000 1.029 498 V CA -2.578 59.373 62.300 -0.582 0.000 0.870 498 V CB 0.696 32.343 31.823 -0.294 0.000 0.984 498 V HN 0.728 nan 8.190 nan 0.000 0.451 499 P HA 0.257 nan 4.420 nan 0.000 0.267 499 P C 0.060 177.248 177.300 -0.188 0.000 1.195 499 P CA 0.709 63.599 63.100 -0.349 0.000 0.773 499 P CB 0.202 31.782 31.700 -0.200 0.000 0.837 500 K N 1.418 121.836 120.400 0.030 0.000 2.087 500 K HA 0.409 4.679 4.320 -0.083 0.000 0.255 500 K C 0.105 176.860 176.600 0.258 0.000 0.988 500 K CA -0.630 55.738 56.287 0.134 0.000 0.915 500 K CB 0.066 32.694 32.500 0.213 0.000 1.043 500 K HN 0.572 nan 8.250 nan 0.000 0.457 501 E N 0.550 120.859 120.200 0.182 0.000 2.197 501 E HA 0.454 4.754 4.350 -0.083 0.000 0.281 501 E C -0.397 176.281 176.600 0.130 0.000 0.995 501 E CA -0.806 55.714 56.400 0.198 0.000 0.808 501 E CB 0.741 30.511 29.700 0.116 0.000 1.093 501 E HN 0.486 nan 8.360 nan 0.000 0.394 502 F N 2.850 122.709 119.950 -0.151 0.000 2.646 502 F HA 0.055 4.533 4.527 -0.082 0.000 0.363 502 F C 0.058 175.783 175.800 -0.126 0.000 1.143 502 F CA 0.464 58.277 58.000 -0.311 0.000 1.356 502 F CB 0.469 39.172 39.000 -0.495 0.000 1.055 502 F HN 0.547 nan 8.300 nan 0.000 0.606 503 N N 4.281 122.371 118.700 -1.017 0.000 2.461 503 N HA 0.435 5.125 4.740 -0.083 0.000 0.284 503 N C 0.087 175.026 175.510 -0.953 0.000 1.049 503 N CA -0.083 52.600 53.050 -0.611 0.000 0.889 503 N CB 1.628 39.955 38.487 -0.266 0.000 1.365 503 N HN 0.759 nan 8.380 nan 0.000 0.499 504 A N 3.522 126.172 122.820 -0.284 0.000 1.869 504 A HA -0.244 4.026 4.320 -0.083 0.000 0.218 504 A C 2.023 179.594 177.584 -0.022 0.000 1.203 504 A CA 2.861 54.935 52.037 0.062 0.000 0.638 504 A CB -1.658 17.454 19.000 0.187 0.000 0.831 504 A HN 0.860 nan 8.150 nan 0.000 0.450 505 E N -1.179 118.999 120.200 -0.036 0.000 2.130 505 E HA -0.225 4.075 4.350 -0.083 0.000 0.196 505 E C 1.986 178.568 176.600 -0.031 0.000 0.998 505 E CA 2.226 58.616 56.400 -0.017 0.000 0.806 505 E CB -1.834 27.853 29.700 -0.021 0.000 0.738 505 E HN 0.685 nan 8.360 nan 0.000 0.459 506 T N -0.485 114.027 114.554 -0.069 0.000 2.788 506 T HA -0.010 4.291 4.350 -0.083 0.000 0.268 506 T C 0.697 175.352 174.700 -0.075 0.000 1.044 506 T CA 1.220 63.286 62.100 -0.057 0.000 1.139 506 T CB -0.250 68.615 68.868 -0.004 0.000 0.867 506 T HN 0.438 nan 8.240 nan 0.000 0.454 507 F N 1.270 121.109 119.950 -0.184 0.000 2.772 507 F HA 0.309 4.787 4.527 -0.081 0.000 0.302 507 F C 0.517 176.341 175.800 0.040 0.000 1.136 507 F CA -0.625 57.358 58.000 -0.029 0.000 1.322 507 F CB -0.056 38.998 39.000 0.090 0.000 0.967 507 F HN -0.178 nan 8.300 nan 0.000 0.513 508 T N 1.179 115.812 114.554 0.131 0.000 2.781 508 T HA 0.426 4.726 4.350 -0.083 0.000 0.305 508 T C -0.065 174.665 174.700 0.051 0.000 1.001 508 T CA -0.144 62.018 62.100 0.103 0.000 0.950 508 T CB -0.417 68.499 68.868 0.081 0.000 0.955 508 T HN 0.110 nan 8.240 nan 0.000 0.471 509 F N 1.060 121.043 119.950 0.055 0.000 2.424 509 F HA 0.668 5.145 4.527 -0.083 0.000 0.356 509 F C 0.683 176.499 175.800 0.028 0.000 1.110 509 F CA -1.467 56.550 58.000 0.029 0.000 1.161 509 F CB -0.982 38.037 39.000 0.032 0.000 1.115 509 F HN 1.039 nan 8.300 nan 0.000 0.507 510 H N 0.728 119.808 119.070 0.017 0.000 2.669 510 H HA 0.795 5.302 4.556 -0.083 0.000 0.318 510 H C 1.382 176.718 175.328 0.013 0.000 1.429 510 H CA 0.043 56.101 56.048 0.016 0.000 1.460 510 H CB 1.075 30.844 29.762 0.013 0.000 1.784 510 H HN 1.434 nan 8.280 nan 0.000 0.750 511 A N -0.084 122.743 122.820 0.012 0.000 2.123 511 A HA -0.033 4.237 4.320 -0.083 0.000 0.214 511 A C 1.806 179.394 177.584 0.007 0.000 1.152 511 A CA 1.330 53.373 52.037 0.010 0.000 0.728 511 A CB -0.540 18.466 19.000 0.010 0.000 0.814 511 A HN 0.882 nan 8.150 nan 0.000 0.464 512 D N 0.172 120.576 120.400 0.006 0.000 2.384 512 D HA -0.093 4.498 4.640 -0.083 0.000 0.222 512 D C 1.351 177.652 176.300 0.002 0.000 0.976 512 D CA 1.295 55.298 54.000 0.004 0.000 0.915 512 D CB -0.543 40.260 40.800 0.004 0.000 0.896 512 D HN 0.448 nan 8.370 nan 0.000 0.523 513 I N 0.157 120.728 120.570 0.002 0.000 3.428 513 I HA -0.001 4.119 4.170 -0.083 0.000 0.286 513 I C 2.558 178.674 176.117 -0.001 0.000 1.287 513 I CA 0.472 61.772 61.300 -0.001 0.000 1.396 513 I CB -1.176 36.823 38.000 -0.001 0.000 1.062 513 I HN 0.290 nan 8.210 nan 0.000 0.471 514 c N -0.967 117.633 118.600 0.001 0.000 2.492 514 c HA -0.045 4.476 4.570 -0.083 0.000 0.279 514 c C 3.011 177.101 174.090 -0.000 0.000 1.335 514 c CA 1.521 57.850 56.329 0.000 0.000 1.734 514 c CB -0.937 41.574 42.510 0.002 0.000 2.027 514 c HN 0.693 nan 8.230 nan 0.000 0.496 515 T N 1.075 115.630 114.554 0.002 0.000 2.867 515 T HA 0.055 4.355 4.350 -0.083 0.000 0.268 515 T C 0.872 175.573 174.700 0.002 0.000 1.057 515 T CA 1.325 63.426 62.100 0.003 0.000 1.136 515 T CB -0.676 68.195 68.868 0.005 0.000 0.874 515 T HN 0.475 nan 8.240 nan 0.000 0.466 516 L N 2.257 123.480 121.223 0.001 0.000 2.514 516 L HA 0.567 4.858 4.340 -0.083 0.000 0.280 516 L C 0.918 177.786 176.870 -0.002 0.000 1.223 516 L CA 0.328 55.168 54.840 -0.000 0.000 0.864 516 L CB -0.899 41.159 42.059 -0.001 0.000 1.118 516 L HN 0.488 nan 8.230 nan 0.000 0.494 517 S N 0.601 116.300 115.700 -0.001 0.000 2.563 517 S HA 0.013 4.434 4.470 -0.083 0.000 0.269 517 S C 1.431 176.025 174.600 -0.011 0.000 1.364 517 S CA 0.757 58.955 58.200 -0.003 0.000 1.010 517 S CB 0.450 63.651 63.200 0.002 0.000 0.877 517 S HN 1.124 nan 8.310 nan 0.000 0.549 518 E N 2.256 122.445 120.200 -0.017 0.000 2.097 518 E HA -0.147 4.153 4.350 -0.083 0.000 0.196 518 E C 2.275 178.852 176.600 -0.038 0.000 1.000 518 E CA 2.701 59.081 56.400 -0.034 0.000 0.804 518 E CB -0.788 28.889 29.700 -0.039 0.000 0.740 518 E HN 0.719 nan 8.360 nan 0.000 0.454 519 K N 0.230 120.618 120.400 -0.020 0.000 2.062 519 K HA 0.006 4.276 4.320 -0.083 0.000 0.205 519 K C 2.338 178.940 176.600 0.004 0.000 1.051 519 K CA 1.947 58.231 56.287 -0.006 0.000 0.941 519 K CB -1.692 30.815 32.500 0.013 0.000 0.719 519 K HN 0.453 nan 8.250 nan 0.000 0.440 520 E N 0.580 120.781 120.200 0.003 0.000 2.331 520 E HA -0.136 4.165 4.350 -0.083 0.000 0.199 520 E C 2.340 178.940 176.600 0.001 0.000 1.008 520 E CA 2.016 58.418 56.400 0.005 0.000 0.843 520 E CB -1.144 28.557 29.700 0.003 0.000 0.761 520 E HN 0.809 nan 8.360 nan 0.000 0.507 521 R N 0.151 120.647 120.500 -0.007 0.000 2.052 521 R HA -0.003 4.287 4.340 -0.083 0.000 0.224 521 R C 2.458 178.762 176.300 0.006 0.000 1.149 521 R CA 1.556 57.650 56.100 -0.009 0.000 0.962 521 R CB -1.037 29.248 30.300 -0.025 0.000 0.856 521 R HN 0.631 nan 8.270 nan 0.000 0.433 522 Q N 0.239 120.039 119.800 0.000 0.000 2.096 522 Q HA -0.149 4.142 4.340 -0.083 0.000 0.208 522 Q C 2.284 178.355 176.000 0.119 0.000 0.993 522 Q CA 2.081 57.931 55.803 0.078 0.000 0.862 522 Q CB -0.495 28.285 28.738 0.070 0.000 0.915 522 Q HN 0.635 nan 8.270 nan 0.000 0.416 523 I N 0.530 121.143 120.570 0.071 0.000 2.315 523 I HA -0.328 3.792 4.170 -0.083 0.000 0.251 523 I C 2.171 178.299 176.117 0.018 0.000 1.125 523 I CA 1.332 62.659 61.300 0.046 0.000 1.392 523 I CB -0.263 37.753 38.000 0.027 0.000 1.065 523 I HN 0.196 nan 8.210 nan 0.000 0.424 524 K N 0.963 121.369 120.400 0.010 0.000 2.031 524 K HA -0.128 4.143 4.320 -0.083 0.000 0.205 524 K C 2.596 179.183 176.600 -0.021 0.000 1.049 524 K CA 1.564 57.841 56.287 -0.018 0.000 0.939 524 K CB -0.237 32.252 32.500 -0.018 0.000 0.717 524 K HN 0.255 nan 8.250 nan 0.000 0.438 525 K N 1.549 121.960 120.400 0.019 0.000 2.147 525 K HA -0.176 4.094 4.320 -0.083 0.000 0.205 525 K C 1.859 178.477 176.600 0.030 0.000 1.049 525 K CA 1.522 57.831 56.287 0.035 0.000 0.936 525 K CB -0.637 31.922 32.500 0.097 0.000 0.722 525 K HN 0.303 nan 8.250 nan 0.000 0.446 526 Q N -0.448 119.377 119.800 0.043 0.000 2.083 526 Q HA -0.064 4.226 4.340 -0.083 0.000 0.198 526 Q C 2.349 178.331 176.000 -0.030 0.000 0.969 526 Q CA 1.718 57.528 55.803 0.011 0.000 0.838 526 Q CB -0.008 28.745 28.738 0.026 0.000 0.900 526 Q HN 0.612 nan 8.270 nan 0.000 0.436 527 T N 0.923 115.451 114.554 -0.044 0.000 2.833 527 T HA -0.116 4.184 4.350 -0.083 0.000 0.269 527 T C 1.841 176.458 174.700 -0.139 0.000 1.054 527 T CA 1.102 63.155 62.100 -0.078 0.000 1.135 527 T CB -0.138 68.681 68.868 -0.082 0.000 0.869 527 T HN 0.355 nan 8.240 nan 0.000 0.466 528 A N 1.239 123.958 122.820 -0.168 0.000 1.897 528 A HA 0.071 4.341 4.320 -0.083 0.000 0.215 528 A C 2.184 179.682 177.584 -0.143 0.000 1.181 528 A CA 0.916 52.772 52.037 -0.301 0.000 0.620 528 A CB -0.730 18.118 19.000 -0.253 0.000 0.821 528 A HN 0.386 nan 8.150 nan 0.000 0.443 529 L N 0.143 121.340 121.223 -0.043 0.000 2.012 529 L HA -0.139 4.152 4.340 -0.083 0.000 0.210 529 L C 2.419 179.308 176.870 0.032 0.000 1.073 529 L CA 1.968 56.819 54.840 0.019 0.000 0.748 529 L CB -0.679 41.381 42.059 0.000 0.000 0.891 529 L HN 0.166 nan 8.230 nan 0.000 0.431 530 V N -0.205 119.707 119.914 -0.004 0.000 2.287 530 V HA -0.276 3.795 4.120 -0.083 0.000 0.248 530 V C 2.677 178.805 176.094 0.057 0.000 1.053 530 V CA 1.889 64.196 62.300 0.011 0.000 1.027 530 V CB -0.684 31.130 31.823 -0.015 0.000 0.646 530 V HN 0.463 nan 8.190 nan 0.000 0.447 531 E N -0.210 120.015 120.200 0.041 0.000 2.085 531 E HA -0.202 4.098 4.350 -0.083 0.000 0.194 531 E C 2.189 179.005 176.600 0.361 0.000 0.994 531 E CA 1.135 57.626 56.400 0.152 0.000 0.801 531 E CB -0.421 29.284 29.700 0.007 0.000 0.743 531 E HN 0.511 nan 8.360 nan 0.000 0.453 532 L N 0.365 121.818 121.223 0.383 0.000 2.017 532 L HA -0.180 4.110 4.340 -0.083 0.000 0.208 532 L C 2.376 179.417 176.870 0.284 0.000 1.073 532 L CA 0.912 56.003 54.840 0.418 0.000 0.745 532 L CB -0.141 42.121 42.059 0.338 0.000 0.894 532 L HN 0.016 nan 8.230 nan 0.000 0.432 533 V N -0.497 119.528 119.914 0.184 0.000 2.515 533 V HA -0.262 3.808 4.120 -0.083 0.000 0.250 533 V C 2.284 178.467 176.094 0.150 0.000 1.058 533 V CA 1.535 63.911 62.300 0.127 0.000 1.064 533 V CB -0.563 31.297 31.823 0.062 0.000 0.675 533 V HN 0.421 nan 8.190 nan 0.000 0.461 534 K N -0.555 119.954 120.400 0.181 0.000 2.283 534 K HA -0.173 4.097 4.320 -0.083 0.000 0.202 534 K C 2.134 178.946 176.600 0.354 0.000 1.048 534 K CA 1.365 57.795 56.287 0.240 0.000 0.948 534 K CB -0.166 32.462 32.500 0.213 0.000 0.742 534 K HN 0.574 nan 8.250 nan 0.000 0.458 535 H N 0.420 119.612 119.070 0.204 0.000 2.431 535 H HA 0.070 4.576 4.556 -0.083 0.000 0.295 535 H C 0.363 175.765 175.328 0.124 0.000 1.038 535 H CA 1.458 57.600 56.048 0.156 0.000 1.360 535 H CB 0.436 30.280 29.762 0.136 0.000 1.433 535 H HN -0.030 nan 8.280 nan 0.000 0.536 536 K N 0.709 121.135 120.400 0.043 0.000 2.762 536 K HA 0.320 4.590 4.320 -0.083 0.000 0.180 536 K C -2.482 174.148 176.600 0.050 0.000 1.067 536 K CA -1.270 55.002 56.287 -0.026 0.000 0.973 536 K CB 0.245 32.748 32.500 0.005 0.000 1.290 536 K HN 0.217 nan 8.250 nan 0.000 0.604 537 P HA -0.224 nan 4.420 nan 0.000 0.215 537 P C 0.943 178.270 177.300 0.046 0.000 1.157 537 P CA 1.081 64.236 63.100 0.092 0.000 0.874 537 P CB 0.371 32.179 31.700 0.180 0.000 0.790 538 K N -0.707 119.713 120.400 0.032 0.000 2.555 538 K HA 0.148 4.418 4.320 -0.083 0.000 0.193 538 K C 1.109 177.715 176.600 0.011 0.000 1.032 538 K CA 0.162 56.458 56.287 0.015 0.000 1.004 538 K CB -0.691 31.812 32.500 0.005 0.000 0.804 538 K HN 0.123 nan 8.250 nan 0.000 0.496 539 A N 1.808 124.638 122.820 0.017 0.000 2.455 539 A HA 0.143 4.413 4.320 -0.083 0.000 0.244 539 A C 0.642 178.236 177.584 0.017 0.000 1.099 539 A CA 0.222 52.271 52.037 0.020 0.000 0.786 539 A CB 0.020 19.042 19.000 0.037 0.000 1.051 539 A HN 0.346 nan 8.150 nan 0.000 0.508 540 T N -3.181 111.383 114.554 0.017 0.000 2.918 540 T HA 0.635 4.935 4.350 -0.083 0.000 0.286 540 T C 0.950 175.658 174.700 0.014 0.000 1.026 540 T CA -0.004 62.103 62.100 0.012 0.000 1.031 540 T CB 1.528 70.402 68.868 0.009 0.000 1.046 540 T HN 1.061 nan 8.240 nan 0.000 0.479 541 K N 0.709 121.113 120.400 0.007 0.000 2.360 541 K HA -0.101 4.169 4.320 -0.083 0.000 0.201 541 K C 1.761 178.368 176.600 0.011 0.000 1.046 541 K CA 1.652 57.943 56.287 0.006 0.000 0.940 541 K CB -1.016 31.483 32.500 -0.001 0.000 0.748 541 K HN 0.774 nan 8.250 nan 0.000 0.465 542 E N 0.806 121.014 120.200 0.013 0.000 2.016 542 E HA -0.157 4.144 4.350 -0.083 0.000 0.190 542 E C 2.315 178.928 176.600 0.021 0.000 0.985 542 E CA 1.439 57.849 56.400 0.016 0.000 0.802 542 E CB -0.451 29.257 29.700 0.014 0.000 0.762 542 E HN 0.830 nan 8.360 nan 0.000 0.448 543 Q N 0.837 120.651 119.800 0.023 0.000 2.030 543 Q HA -0.108 4.183 4.340 -0.083 0.000 0.204 543 Q C 2.580 178.604 176.000 0.039 0.000 0.986 543 Q CA 1.247 57.069 55.803 0.031 0.000 0.843 543 Q CB -0.450 28.308 28.738 0.033 0.000 0.904 543 Q HN 0.190 nan 8.270 nan 0.000 0.420 544 L N 0.877 122.124 121.223 0.040 0.000 1.997 544 L HA -0.321 3.969 4.340 -0.083 0.000 0.216 544 L C 2.973 179.868 176.870 0.043 0.000 1.074 544 L CA 2.142 57.009 54.840 0.047 0.000 0.763 544 L CB -1.074 41.006 42.059 0.035 0.000 0.890 544 L HN 0.339 nan 8.230 nan 0.000 0.434 545 K N 0.180 120.599 120.400 0.031 0.000 2.026 545 K HA -0.061 4.210 4.320 -0.083 0.000 0.208 545 K C 2.208 178.832 176.600 0.040 0.000 1.048 545 K CA 1.531 57.837 56.287 0.032 0.000 0.929 545 K CB -1.398 31.117 32.500 0.024 0.000 0.713 545 K HN 0.447 nan 8.250 nan 0.000 0.439 546 A N 0.456 123.298 122.820 0.037 0.000 2.076 546 A HA 0.059 4.329 4.320 -0.083 0.000 0.220 546 A C 2.478 180.089 177.584 0.045 0.000 1.160 546 A CA 1.831 53.890 52.037 0.037 0.000 0.653 546 A CB -0.343 18.676 19.000 0.031 0.000 0.801 546 A HN 0.338 nan 8.150 nan 0.000 0.455 547 V N -1.096 118.851 119.914 0.055 0.000 2.575 547 V HA -0.121 3.949 4.120 -0.083 0.000 0.242 547 V C 2.447 178.586 176.094 0.076 0.000 1.045 547 V CA 1.313 63.654 62.300 0.069 0.000 1.065 547 V CB -0.519 31.356 31.823 0.087 0.000 0.717 547 V HN 0.544 nan 8.190 nan 0.000 0.467 548 M N 0.783 120.426 119.600 0.072 0.000 2.065 548 M HA -0.257 4.174 4.480 -0.083 0.000 0.259 548 M C 2.280 178.625 176.300 0.075 0.000 1.069 548 M CA 2.659 58.005 55.300 0.076 0.000 1.110 548 M CB -0.911 31.731 32.600 0.070 0.000 1.328 548 M HN 0.647 nan 8.290 nan 0.000 0.405 549 D N -0.127 120.313 120.400 0.067 0.000 2.172 549 D HA -0.263 4.327 4.640 -0.083 0.000 0.196 549 D C 1.605 177.937 176.300 0.053 0.000 0.999 549 D CA 1.936 55.972 54.000 0.059 0.000 0.856 549 D CB -0.845 39.985 40.800 0.049 0.000 0.934 549 D HN 0.441 nan 8.370 nan 0.000 0.453 550 D N -1.002 119.431 120.400 0.055 0.000 2.084 550 D HA -0.070 4.520 4.640 -0.083 0.000 0.194 550 D C 2.324 178.657 176.300 0.056 0.000 0.990 550 D CA 1.926 55.957 54.000 0.052 0.000 0.826 550 D CB -0.900 39.934 40.800 0.057 0.000 0.971 550 D HN 0.583 nan 8.370 nan 0.000 0.453 551 F N 1.239 121.229 119.950 0.067 0.000 2.147 551 F HA -0.083 4.394 4.527 -0.083 0.000 0.301 551 F C 2.683 178.513 175.800 0.049 0.000 1.084 551 F CA 2.064 60.103 58.000 0.064 0.000 1.268 551 F CB -1.334 37.708 39.000 0.069 0.000 1.009 551 F HN 0.223 nan 8.300 nan 0.000 0.486 552 A N 0.249 123.098 122.820 0.049 0.000 1.883 552 A HA 0.068 4.338 4.320 -0.083 0.000 0.217 552 A C 2.686 180.286 177.584 0.027 0.000 1.186 552 A CA 2.545 54.603 52.037 0.035 0.000 0.624 552 A CB -1.539 17.484 19.000 0.038 0.000 0.822 552 A HN 1.497 nan 8.150 nan 0.000 0.444 553 A N -1.395 121.443 122.820 0.031 0.000 1.902 553 A HA 0.098 4.369 4.320 -0.083 0.000 0.217 553 A C 2.401 180.000 177.584 0.026 0.000 1.181 553 A CA 2.278 54.331 52.037 0.026 0.000 0.623 553 A CB -1.347 17.669 19.000 0.028 0.000 0.818 553 A HN 1.269 nan 8.150 nan 0.000 0.443 554 F N -0.656 119.313 119.950 0.032 0.000 2.307 554 F HA 0.037 4.514 4.527 -0.083 0.000 0.301 554 F C 2.470 178.286 175.800 0.026 0.000 1.076 554 F CA 1.949 59.969 58.000 0.033 0.000 1.383 554 F CB -1.135 37.892 39.000 0.045 0.000 1.055 554 F HN 0.141 nan 8.300 nan 0.000 0.526 555 V N 0.650 120.577 119.914 0.022 0.000 2.331 555 V HA -0.196 3.875 4.120 -0.083 0.000 0.242 555 V C 2.481 178.581 176.094 0.010 0.000 1.034 555 V CA 1.695 64.003 62.300 0.014 0.000 1.027 555 V CB -0.604 31.224 31.823 0.009 0.000 0.667 555 V HN 0.758 nan 8.190 nan 0.000 0.457 556 E N 2.003 122.208 120.200 0.009 0.000 2.097 556 E HA -0.309 3.992 4.350 -0.083 0.000 0.196 556 E C 2.117 178.721 176.600 0.008 0.000 1.000 556 E CA 1.780 58.184 56.400 0.006 0.000 0.804 556 E CB -0.437 29.266 29.700 0.005 0.000 0.740 556 E HN 0.606 nan 8.360 nan 0.000 0.454 557 K N 1.745 122.151 120.400 0.011 0.000 1.980 557 K HA -0.118 4.152 4.320 -0.083 0.000 0.208 557 K C 2.251 178.858 176.600 0.011 0.000 1.043 557 K CA 1.530 57.824 56.287 0.011 0.000 0.938 557 K CB -1.279 31.230 32.500 0.014 0.000 0.724 557 K HN 0.308 nan 8.250 nan 0.000 0.438 558 c N 1.707 120.315 118.600 0.014 0.000 2.376 558 c HA -0.176 4.344 4.570 -0.083 0.000 0.275 558 c C 3.042 177.138 174.090 0.011 0.000 1.200 558 c CA 1.421 57.758 56.329 0.014 0.000 1.756 558 c CB -1.290 41.230 42.510 0.017 0.000 2.050 558 c HN 0.718 nan 8.230 nan 0.000 0.460 559 c N 0.365 118.971 118.600 0.009 0.000 2.409 559 c HA 0.035 4.555 4.570 -0.083 0.000 0.284 559 c C 1.697 175.790 174.090 0.006 0.000 1.354 559 c CA 1.739 58.072 56.329 0.007 0.000 1.787 559 c CB -1.745 40.767 42.510 0.004 0.000 1.900 559 c HN 0.805 nan 8.230 nan 0.000 0.520 560 K N -0.975 119.428 120.400 0.006 0.000 3.029 560 K HA 0.696 4.966 4.320 -0.083 0.000 0.169 560 K C -0.458 176.146 176.600 0.006 0.000 1.090 560 K CA 0.576 56.866 56.287 0.005 0.000 0.883 560 K CB 0.466 32.968 32.500 0.004 0.000 1.080 560 K HN 0.426 nan 8.250 nan 0.000 0.613 561 A N 0.682 123.506 122.820 0.007 0.000 3.124 561 A HA 0.649 4.919 4.320 -0.083 0.000 0.295 561 A C 0.332 177.921 177.584 0.008 0.000 1.199 561 A CA 0.900 52.942 52.037 0.008 0.000 0.845 561 A CB -1.097 17.909 19.000 0.009 0.000 1.381 561 A HN 2.073 nan 8.150 nan 0.000 0.537 562 D N -0.269 120.136 120.400 0.007 0.000 4.443 562 D HA 0.249 4.839 4.640 -0.083 0.000 0.302 562 D C 0.315 176.620 176.300 0.007 0.000 2.380 562 D CA 1.288 55.292 54.000 0.007 0.000 1.094 562 D CB -1.110 39.694 40.800 0.007 0.000 1.105 562 D HN 2.133 nan 8.370 nan 0.000 1.285 563 D N 0.901 121.305 120.400 0.007 0.000 2.482 563 D HA 0.444 5.034 4.640 -0.083 0.000 0.244 563 D C 0.147 176.452 176.300 0.008 0.000 1.242 563 D CA 0.620 54.625 54.000 0.008 0.000 1.097 563 D CB -0.131 40.673 40.800 0.007 0.000 1.109 563 D HN 0.559 nan 8.370 nan 0.000 0.510 564 K N 0.782 121.188 120.400 0.009 0.000 2.559 564 K HA 0.562 4.832 4.320 -0.083 0.000 0.249 564 K C 0.691 177.298 176.600 0.012 0.000 0.958 564 K CA -0.316 55.977 56.287 0.011 0.000 0.901 564 K CB 1.336 33.843 32.500 0.011 0.000 1.124 564 K HN 0.482 nan 8.250 nan 0.000 0.437 565 E N 0.546 120.753 120.200 0.012 0.000 2.498 565 E HA -0.036 4.265 4.350 -0.083 0.000 0.203 565 E C 1.133 177.742 176.600 0.015 0.000 1.013 565 E CA 0.846 57.254 56.400 0.013 0.000 0.927 565 E CB 0.193 29.900 29.700 0.012 0.000 1.012 565 E HN 0.538 nan 8.360 nan 0.000 0.482 566 T N -2.811 111.752 114.554 0.015 0.000 3.014 566 T HA -0.058 4.242 4.350 -0.083 0.000 0.250 566 T C 2.238 176.950 174.700 0.019 0.000 1.060 566 T CA 0.965 63.075 62.100 0.017 0.000 1.040 566 T CB -1.103 67.774 68.868 0.015 0.000 0.971 566 T HN 0.715 nan 8.240 nan 0.000 0.497 567 c N 0.378 118.988 118.600 0.018 0.000 2.410 567 c HA 0.131 4.651 4.570 -0.083 0.000 0.281 567 c C 2.708 176.812 174.090 0.024 0.000 1.318 567 c CA 0.365 56.706 56.329 0.019 0.000 1.776 567 c CB -2.382 40.138 42.510 0.017 0.000 1.942 567 c HN 0.516 nan 8.230 nan 0.000 0.508 568 F N 1.035 121.000 119.950 0.025 0.000 2.269 568 F HA 0.333 4.810 4.527 -0.083 0.000 0.301 568 F C 2.594 178.417 175.800 0.038 0.000 1.082 568 F CA 1.792 59.810 58.000 0.030 0.000 1.360 568 F CB -1.168 37.847 39.000 0.026 0.000 1.041 568 F HN 0.607 nan 8.300 nan 0.000 0.512 569 A N -0.416 122.424 122.820 0.034 0.000 1.942 569 A HA 0.344 4.614 4.320 -0.083 0.000 0.209 569 A C 2.031 179.636 177.584 0.035 0.000 1.214 569 A CA 1.573 53.633 52.037 0.038 0.000 0.686 569 A CB -1.252 17.767 19.000 0.032 0.000 0.871 569 A HN 0.709 nan 8.150 nan 0.000 0.460 570 E N -0.452 119.764 120.200 0.027 0.000 2.006 570 E HA -0.101 4.199 4.350 -0.083 0.000 0.192 570 E C 2.025 178.640 176.600 0.025 0.000 0.993 570 E CA 2.167 58.581 56.400 0.023 0.000 0.808 570 E CB -1.343 28.367 29.700 0.018 0.000 0.764 570 E HN 0.817 nan 8.360 nan 0.000 0.449 571 E N 0.458 120.675 120.200 0.027 0.000 2.268 571 E HA 0.153 4.453 4.350 -0.083 0.000 0.195 571 E C 2.428 179.051 176.600 0.040 0.000 0.995 571 E CA 1.162 57.580 56.400 0.029 0.000 0.836 571 E CB -0.983 28.733 29.700 0.027 0.000 0.763 571 E HN 0.610 nan 8.360 nan 0.000 0.491 572 G N 0.144 108.972 108.800 0.048 0.000 2.448 572 G HA2 0.005 3.915 3.960 -0.083 0.000 0.218 572 G HA3 0.005 3.915 3.960 -0.083 0.000 0.218 572 G C 1.949 176.890 174.900 0.069 0.000 1.135 572 G CA 1.705 46.846 45.100 0.069 0.000 0.784 572 G HN 0.784 nan 8.290 nan 0.000 0.543 573 K N 0.454 120.882 120.400 0.047 0.000 2.025 573 K HA 0.124 4.395 4.320 -0.083 0.000 0.207 573 K C 2.597 179.206 176.600 0.015 0.000 1.049 573 K CA 2.073 58.378 56.287 0.030 0.000 0.933 573 K CB -1.220 31.292 32.500 0.020 0.000 0.714 573 K HN 0.553 nan 8.250 nan 0.000 0.438 574 K N 0.478 120.889 120.400 0.018 0.000 2.280 574 K HA 0.340 4.610 4.320 -0.083 0.000 0.202 574 K C 2.716 179.328 176.600 0.019 0.000 1.047 574 K CA 1.831 58.126 56.287 0.013 0.000 0.942 574 K CB -1.595 30.915 32.500 0.016 0.000 0.739 574 K HN 0.767 nan 8.250 nan 0.000 0.457 575 L N 0.038 121.284 121.223 0.038 0.000 1.993 575 L HA 0.051 4.341 4.340 -0.083 0.000 0.206 575 L C 2.826 179.728 176.870 0.052 0.000 1.074 575 L CA 2.165 57.041 54.840 0.059 0.000 0.746 575 L CB -1.412 40.701 42.059 0.091 0.000 0.896 575 L HN 0.297 nan 8.230 nan 0.000 0.435 576 V N 0.461 120.406 119.914 0.051 0.000 2.392 576 V HA -0.262 3.809 4.120 -0.083 0.000 0.249 576 V C 3.153 179.177 176.094 -0.116 0.000 1.059 576 V CA 1.851 64.136 62.300 -0.026 0.000 1.051 576 V CB -1.408 30.389 31.823 -0.044 0.000 0.658 576 V HN 0.829 nan 8.190 nan 0.000 0.455 577 A N 0.286 123.060 122.820 -0.076 0.000 1.865 577 A HA -0.163 4.108 4.320 -0.083 0.000 0.217 577 A C 2.407 179.954 177.584 -0.061 0.000 1.191 577 A CA 2.326 54.315 52.037 -0.080 0.000 0.623 577 A CB -0.899 18.073 19.000 -0.046 0.000 0.826 577 A HN 0.602 nan 8.150 nan 0.000 0.444 578 A N -1.080 121.723 122.820 -0.027 0.000 2.066 578 A HA 0.060 4.331 4.320 -0.083 0.000 0.218 578 A C 2.349 179.928 177.584 -0.008 0.000 1.157 578 A CA 1.753 53.784 52.037 -0.011 0.000 0.670 578 A CB -0.569 18.436 19.000 0.008 0.000 0.804 578 A HN 0.442 nan 8.150 nan 0.000 0.453 579 S N -1.082 114.610 115.700 -0.012 0.000 2.371 579 S HA -0.035 4.385 4.470 -0.083 0.000 0.224 579 S C 2.487 177.057 174.600 -0.049 0.000 1.029 579 S CA 1.447 59.647 58.200 0.000 0.000 0.978 579 S CB -0.349 62.868 63.200 0.029 0.000 0.833 579 S HN 0.867 nan 8.310 nan 0.000 0.466 580 Q N 0.666 120.391 119.800 -0.124 0.000 2.369 580 Q HA 0.317 4.607 4.340 -0.083 0.000 0.206 580 Q C 2.141 178.101 176.000 -0.066 0.000 0.963 580 Q CA 1.306 57.022 55.803 -0.146 0.000 0.894 580 Q CB -0.971 27.620 28.738 -0.245 0.000 0.965 580 Q HN 0.653 nan 8.270 nan 0.000 0.475 581 A N 0.949 123.741 122.820 -0.047 0.000 1.840 581 A HA 0.526 4.796 4.320 -0.083 0.000 0.214 581 A C 2.019 179.599 177.584 -0.006 0.000 1.198 581 A CA 0.983 53.005 52.037 -0.025 0.000 0.608 581 A CB -1.020 17.968 19.000 -0.020 0.000 0.839 581 A HN 1.120 nan 8.150 nan 0.000 0.443 582 A N 0.000 122.824 122.820 0.006 0.000 2.254 582 A HA 0.000 4.270 4.320 -0.083 0.000 0.244 582 A CA 0.000 52.048 52.037 0.018 0.000 0.836 582 A CB 0.000 19.018 19.000 0.030 0.000 0.831 582 A HN 0.000 nan 8.150 nan 0.000 0.486