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 2w3p_1_B DATA FIRST_RESID 9 DATA SEQUENCE APVDYRTDPS QYKHWKLSFN GPVATLGIDI AEDGGIRDGY KLKLNSYDLG DATA SEQUENCE VDIELHDAIQ RIRFEHPEVR TVVLTSLKDR VFCSGANIFM LGLSTHAWKV DATA SEQUENCE NFCKFTNETR NGLEDSSRHS GLKFLAAVNG ACAGGGYELA LACDEIYLVD DATA SEQUENCE DRSSSVSLPE VPLLGVLPGT GGLTRVTDKR KVRHDRADIF CTVVEGVRGE DATA SEQUENCE RAKAWRLVDE VVKPNQFDQA IQARALELAA QSDRPAHAQG VPLTRIERTD DATA SEQUENCE REDGLTYKTL DVTIDRAKRI ATFTAKAPQT EPPASIDAIV AAGANWWPLK DATA SEQUENCE FAREFDDAIL SMRTNELAVG TWVFRTEGDA RHLLAADASL MQHKDHWFVR DATA SEQUENCE ETIGLLRRTL ARIDVSSRSL FALIEPGSCF AGTFAELAFA ADRTYMAALP DATA SEQUENCE ANEDEEPAIT LSEVNFGLYP MVTHQSRLAR RFYEETEPLD AVRSRIGQAI DATA SEQUENCE KPVEAERLGL VTASPDDIDW ADEIRIALEE RAAMSPDALT GLEANLRFNG DATA SEQUENCE PETMETRIFG RLTAWQNWIF NRPNAVGEKG ALKVYGKGSK AQFDVSRV 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 9 A HA 0.000 nan 4.320 nan 0.000 0.244 9 A C 0.000 177.619 177.584 0.059 0.000 1.274 9 A CA 0.000 52.049 52.037 0.021 0.000 0.836 9 A CB 0.000 19.007 19.000 0.011 0.000 0.831 10 P HA 0.533 nan 4.420 nan 0.000 0.277 10 P C -0.651 176.710 177.300 0.102 0.000 1.240 10 P CA -0.233 62.927 63.100 0.100 0.000 0.798 10 P CB 0.860 32.608 31.700 0.080 0.000 0.979 11 V N 2.262 122.252 119.914 0.126 0.000 2.509 11 V HA 0.186 4.306 4.120 -0.002 0.000 0.284 11 V C 0.291 176.416 176.094 0.051 0.000 1.047 11 V CA -0.142 62.191 62.300 0.055 0.000 0.952 11 V CB 1.222 33.038 31.823 -0.013 0.000 0.988 11 V HN 0.586 nan 8.190 nan 0.000 0.469 12 D N 2.564 122.970 120.400 0.010 0.000 2.344 12 D HA 0.290 4.929 4.640 -0.002 0.000 0.239 12 D C -0.039 176.282 176.300 0.034 0.000 1.064 12 D CA -0.310 53.738 54.000 0.079 0.000 0.829 12 D CB 1.312 42.156 40.800 0.074 0.000 1.129 12 D HN 0.511 nan 8.370 nan 0.000 0.506 13 Y N 1.849 122.179 120.300 0.051 0.000 2.490 13 Y HA 0.146 4.695 4.550 -0.002 0.000 0.281 13 Y C 1.000 176.973 175.900 0.122 0.000 1.174 13 Y CA 0.016 58.150 58.100 0.056 0.000 1.295 13 Y CB 0.378 38.844 38.460 0.009 0.000 1.062 13 Y HN 0.035 nan 8.280 nan 0.000 0.522 14 R N 0.491 121.130 120.500 0.232 0.000 2.298 14 R HA 0.318 4.657 4.340 -0.002 0.000 0.310 14 R C 0.105 176.507 176.300 0.171 0.000 1.068 14 R CA 0.224 56.439 56.100 0.191 0.000 0.957 14 R CB 1.070 31.460 30.300 0.149 0.000 1.003 14 R HN -0.013 nan 8.270 nan 0.000 0.454 15 T N 1.173 115.842 114.554 0.193 0.000 2.671 15 T HA 0.405 4.754 4.350 -0.002 0.000 0.300 15 T C -1.988 172.831 174.700 0.197 0.000 1.238 15 T CA -0.755 61.470 62.100 0.208 0.000 1.020 15 T CB 1.597 70.638 68.868 0.288 0.000 1.503 15 T HN 0.811 nan 8.240 nan 0.000 0.497 16 D N -0.635 119.861 120.400 0.160 0.000 2.653 16 D HA 0.454 5.093 4.640 -0.002 0.000 0.258 16 D C -2.461 173.588 176.300 -0.419 0.000 1.252 16 D CA -1.186 52.814 54.000 0.000 0.000 0.777 16 D CB 1.133 41.930 40.800 -0.005 0.000 1.339 16 D HN 0.198 nan 8.370 nan 0.000 0.422 17 P HA -0.181 nan 4.420 nan 0.000 0.217 17 P C 1.375 178.334 177.300 -0.567 0.000 1.148 17 P CA 1.885 64.235 63.100 -1.250 0.000 0.828 17 P CB -0.008 31.393 31.700 -0.499 0.000 0.783 18 S N -1.046 114.500 115.700 -0.258 0.000 2.442 18 S HA -0.200 4.269 4.470 -0.002 0.000 0.236 18 S C 1.745 176.311 174.600 -0.057 0.000 1.007 18 S CA 1.094 59.230 58.200 -0.106 0.000 0.965 18 S CB -0.965 62.205 63.200 -0.051 0.000 0.773 18 S HN 0.273 nan 8.310 nan 0.000 0.504 19 Q N -0.728 119.039 119.800 -0.054 0.000 2.319 19 Q HA 0.220 4.559 4.340 -0.002 0.000 0.209 19 Q C -0.683 175.419 176.000 0.171 0.000 0.884 19 Q CA -0.316 55.521 55.803 0.056 0.000 0.938 19 Q CB 0.235 29.028 28.738 0.090 0.000 1.098 19 Q HN 0.548 nan 8.270 nan 0.000 0.517 20 Y N 1.721 122.072 120.300 0.085 0.000 2.620 20 Y HA -0.039 4.510 4.550 -0.002 0.000 0.330 20 Y C 1.246 177.157 175.900 0.018 0.000 1.186 20 Y CA 0.104 58.270 58.100 0.110 0.000 1.467 20 Y CB 0.314 38.891 38.460 0.194 0.000 1.262 20 Y HN -0.054 nan 8.280 nan 0.000 0.550 21 K N 1.455 121.879 120.400 0.040 0.000 2.323 21 K HA 0.022 4.341 4.320 -0.002 0.000 0.197 21 K C 0.592 177.017 176.600 -0.292 0.000 1.043 21 K CA 0.624 56.759 56.287 -0.254 0.000 0.997 21 K CB 0.373 32.509 32.500 -0.607 0.000 0.807 21 K HN 0.647 nan 8.250 nan 0.000 0.497 22 H N -2.104 117.019 119.070 0.090 0.000 2.986 22 H HA 0.154 4.709 4.556 -0.002 0.000 0.267 22 H C -0.531 174.530 175.328 -0.444 0.000 1.072 22 H CA 0.071 56.009 56.048 -0.182 0.000 1.202 22 H CB 0.483 30.092 29.762 -0.254 0.000 1.535 22 H HN 0.034 nan 8.280 nan 0.000 0.522 23 W N 1.368 122.736 121.300 0.112 0.000 3.022 23 W HA 0.471 5.130 4.660 -0.002 0.000 0.335 23 W C -0.439 176.174 176.519 0.158 0.000 1.133 23 W CA -0.738 56.647 57.345 0.067 0.000 1.219 23 W CB 1.575 30.985 29.460 -0.083 0.000 1.409 23 W HN -0.413 nan 8.180 nan 0.000 0.507 24 K N 3.156 123.760 120.400 0.340 0.000 2.270 24 K HA 0.620 4.939 4.320 -0.002 0.000 0.255 24 K C -1.226 175.483 176.600 0.182 0.000 0.936 24 K CA -0.971 55.458 56.287 0.237 0.000 0.809 24 K CB 2.170 34.746 32.500 0.127 0.000 1.131 24 K HN 0.525 nan 8.250 nan 0.000 0.427 25 L N 1.853 123.145 121.223 0.115 0.000 2.341 25 L HA 0.421 4.760 4.340 -0.002 0.000 0.278 25 L C -0.205 176.491 176.870 -0.291 0.000 1.005 25 L CA -0.396 54.385 54.840 -0.099 0.000 0.818 25 L CB 1.893 43.954 42.059 0.003 0.000 1.259 25 L HN 0.802 nan 8.230 nan 0.000 0.418 26 S N 1.866 117.227 115.700 -0.565 0.000 2.588 26 S HA 0.772 5.242 4.470 -0.002 0.000 0.275 26 S C -1.153 172.945 174.600 -0.836 0.000 1.130 26 S CA -0.722 57.182 58.200 -0.494 0.000 0.855 26 S CB 1.968 65.069 63.200 -0.165 0.000 1.116 26 S HN 0.251 nan 8.310 nan 0.000 0.472 27 F N 1.091 121.020 119.950 -0.034 0.000 2.547 27 F HA 0.638 5.164 4.527 -0.002 0.000 0.316 27 F C -0.039 175.745 175.800 -0.026 0.000 1.121 27 F CA -0.639 57.328 58.000 -0.055 0.000 0.911 27 F CB 2.184 41.147 39.000 -0.061 0.000 1.179 27 F HN 0.737 nan 8.300 nan 0.000 0.443 28 N N 2.005 120.772 118.700 0.112 0.000 2.640 28 N HA 0.493 5.232 4.740 -0.002 0.000 0.262 28 N C 0.179 175.712 175.510 0.038 0.000 1.174 28 N CA 0.624 53.708 53.050 0.058 0.000 0.791 28 N CB 0.918 39.413 38.487 0.013 0.000 1.279 28 N HN 0.918 nan 8.380 nan 0.000 0.535 29 G N 3.943 112.767 108.800 0.040 0.000 2.611 29 G HA2 -0.296 3.663 3.960 -0.002 0.000 0.301 29 G HA3 -0.296 3.663 3.960 -0.002 0.000 0.301 29 G C -1.510 173.390 174.900 0.000 0.000 1.233 29 G CA 0.262 45.364 45.100 0.003 0.000 0.993 29 G HN 0.522 nan 8.290 nan 0.000 0.553 30 P HA 0.276 nan 4.420 nan 0.000 0.245 30 P C 0.110 177.385 177.300 -0.043 0.000 1.212 30 P CA 0.596 63.667 63.100 -0.049 0.000 0.774 30 P CB 0.164 31.820 31.700 -0.073 0.000 0.999 31 V N 0.877 120.775 119.914 -0.027 0.000 2.384 31 V HA 0.572 4.691 4.120 -0.002 0.000 0.287 31 V C 0.379 176.452 176.094 -0.036 0.000 1.020 31 V CA -1.084 61.185 62.300 -0.051 0.000 0.850 31 V CB 1.295 33.077 31.823 -0.068 0.000 0.987 31 V HN 0.068 nan 8.190 nan 0.000 0.436 32 A N 3.681 126.461 122.820 -0.066 0.000 2.301 32 A HA 0.761 5.080 4.320 -0.002 0.000 0.312 32 A C 0.221 177.683 177.584 -0.204 0.000 1.182 32 A CA -0.335 51.587 52.037 -0.191 0.000 0.826 32 A CB 0.672 19.583 19.000 -0.149 0.000 1.134 32 A HN 0.711 nan 8.150 nan 0.000 0.501 33 T N 2.783 117.173 114.554 -0.273 0.000 2.770 33 T HA 0.444 4.793 4.350 -0.002 0.000 0.283 33 T C -0.766 173.862 174.700 -0.121 0.000 0.988 33 T CA -0.141 61.876 62.100 -0.138 0.000 0.957 33 T CB 0.762 69.577 68.868 -0.089 0.000 0.930 33 T HN 0.491 nan 8.240 nan 0.000 0.443 34 L N 4.234 125.457 121.223 0.000 0.000 2.277 34 L HA 0.705 5.044 4.340 -0.002 0.000 0.284 34 L C 0.284 177.288 176.870 0.224 0.000 1.028 34 L CA -0.190 54.710 54.840 0.100 0.000 0.835 34 L CB 0.437 42.553 42.059 0.094 0.000 1.215 34 L HN 0.711 nan 8.230 nan 0.000 0.425 35 G N 6.093 115.029 108.800 0.226 0.000 2.335 35 G HA2 0.505 4.465 3.960 -0.002 0.000 0.316 35 G HA3 0.505 4.465 3.960 -0.002 0.000 0.316 35 G C -0.395 174.570 174.900 0.109 0.000 1.129 35 G CA -0.593 44.601 45.100 0.156 0.000 0.899 35 G HN 0.639 nan 8.290 nan 0.000 0.448 36 I N 2.113 122.628 120.570 -0.092 0.000 2.436 36 I HA 0.149 4.318 4.170 -0.002 0.000 0.289 36 I C -0.241 175.670 176.117 -0.343 0.000 1.083 36 I CA 0.065 61.060 61.300 -0.508 0.000 1.372 36 I CB 1.172 38.828 38.000 -0.573 0.000 1.408 36 I HN 0.287 nan 8.210 nan 0.000 0.516 37 D N 7.288 127.464 120.400 -0.373 0.000 2.846 37 D HA 0.327 4.966 4.640 -0.002 0.000 0.279 37 D C -0.285 175.935 176.300 -0.132 0.000 1.222 37 D CA -0.322 53.573 54.000 -0.176 0.000 0.769 37 D CB 0.461 41.219 40.800 -0.070 0.000 1.299 37 D HN 0.278 nan 8.370 nan 0.000 0.537 38 I N 1.340 121.818 120.570 -0.155 0.000 2.618 38 I HA 0.217 4.386 4.170 -0.002 0.000 0.284 38 I C 0.934 177.130 176.117 0.133 0.000 1.146 38 I CA -0.232 61.071 61.300 0.004 0.000 1.425 38 I CB 1.122 39.038 38.000 -0.140 0.000 1.383 38 I HN 0.269 nan 8.210 nan 0.000 0.562 39 A N 5.829 128.849 122.820 0.333 0.000 2.347 39 A HA 0.191 4.510 4.320 -0.002 0.000 0.287 39 A C 1.212 178.898 177.584 0.170 0.000 1.199 39 A CA -0.535 51.597 52.037 0.159 0.000 0.851 39 A CB 0.042 19.063 19.000 0.035 0.000 1.118 39 A HN 0.917 nan 8.150 nan 0.000 0.525 40 E N 2.411 122.667 120.200 0.092 0.000 2.268 40 E HA -0.205 4.144 4.350 -0.002 0.000 0.195 40 E C 0.397 177.033 176.600 0.061 0.000 0.995 40 E CA 1.369 57.817 56.400 0.080 0.000 0.836 40 E CB -0.041 29.691 29.700 0.053 0.000 0.763 40 E HN 0.744 nan 8.360 nan 0.000 0.491 41 D N 0.376 120.802 120.400 0.043 0.000 2.328 41 D HA 0.006 4.645 4.640 -0.002 0.000 0.221 41 D C 1.186 177.495 176.300 0.014 0.000 1.072 41 D CA 0.426 54.427 54.000 0.003 0.000 0.850 41 D CB 0.440 41.236 40.800 -0.006 0.000 0.922 41 D HN 0.274 nan 8.370 nan 0.000 0.516 42 G N 0.657 109.518 108.800 0.102 0.000 3.523 42 G HA2 0.319 4.278 3.960 -0.002 0.000 0.270 42 G HA3 0.319 4.278 3.960 -0.002 0.000 0.270 42 G C 0.814 175.837 174.900 0.205 0.000 1.134 42 G CA -0.308 44.882 45.100 0.150 0.000 0.825 42 G HN 0.311 nan 8.290 nan 0.000 0.534 43 G N 0.045 108.880 108.800 0.058 0.000 2.321 43 G HA2 0.165 4.124 3.960 -0.002 0.000 0.237 43 G HA3 0.165 4.124 3.960 -0.002 0.000 0.237 43 G C 0.947 175.866 174.900 0.031 0.000 1.282 43 G CA -0.459 44.643 45.100 0.003 0.000 0.886 43 G HN 0.264 nan 8.290 nan 0.000 0.528 44 I N 0.730 121.404 120.570 0.173 0.000 2.546 44 I HA 0.051 4.220 4.170 -0.002 0.000 0.255 44 I C 1.048 177.195 176.117 0.051 0.000 1.163 44 I CA 0.716 62.105 61.300 0.148 0.000 1.457 44 I CB -0.000 38.145 38.000 0.242 0.000 1.092 44 I HN 0.293 nan 8.210 nan 0.000 0.434 45 R N 0.804 121.317 120.500 0.021 0.000 2.919 45 R HA 0.378 4.717 4.340 -0.002 0.000 0.260 45 R C -0.890 175.261 176.300 -0.248 0.000 1.067 45 R CA -0.689 55.349 56.100 -0.103 0.000 1.003 45 R CB 0.854 31.044 30.300 -0.183 0.000 1.192 45 R HN 0.032 nan 8.270 nan 0.000 0.488 46 D N -1.062 119.212 120.400 -0.209 0.000 2.387 46 D HA 0.367 5.006 4.640 -0.002 0.000 0.255 46 D C 0.855 177.023 176.300 -0.221 0.000 1.081 46 D CA 0.257 54.096 54.000 -0.267 0.000 0.994 46 D CB 1.477 42.179 40.800 -0.163 0.000 1.127 46 D HN 0.691 nan 8.370 nan 0.000 0.513 47 G N 0.066 108.734 108.800 -0.219 0.000 2.179 47 G HA2 -0.204 3.755 3.960 -0.002 0.000 0.220 47 G HA3 -0.204 3.755 3.960 -0.002 0.000 0.220 47 G C -0.302 174.598 174.900 -0.000 0.000 0.990 47 G CA 0.574 45.630 45.100 -0.074 0.000 0.646 47 G HN 0.538 nan 8.290 nan 0.000 0.517 48 Y N -1.513 118.745 120.300 -0.070 0.000 2.597 48 Y HA 0.855 5.404 4.550 -0.002 0.000 0.340 48 Y C -0.515 175.353 175.900 -0.053 0.000 1.097 48 Y CA -2.030 56.028 58.100 -0.070 0.000 1.037 48 Y CB 0.909 39.380 38.460 0.018 0.000 1.305 48 Y HN -0.046 nan 8.280 nan 0.000 0.463 49 K N 2.357 122.810 120.400 0.088 0.000 2.118 49 K HA 0.499 4.818 4.320 -0.002 0.000 0.254 49 K C -0.976 175.767 176.600 0.238 0.000 0.961 49 K CA -0.784 55.550 56.287 0.078 0.000 0.876 49 K CB 1.932 34.437 32.500 0.008 0.000 1.077 49 K HN 0.862 nan 8.250 nan 0.000 0.440 50 L N 3.182 124.516 121.223 0.186 0.000 2.475 50 L HA 0.264 4.604 4.340 -0.002 0.000 0.253 50 L C 0.271 177.210 176.870 0.115 0.000 1.137 50 L CA -0.322 54.623 54.840 0.176 0.000 1.058 50 L CB 0.120 42.269 42.059 0.150 0.000 1.382 50 L HN 0.253 nan 8.230 nan 0.000 0.416 51 K N 1.972 122.450 120.400 0.129 0.000 2.126 51 K HA 0.484 4.803 4.320 -0.002 0.000 0.257 51 K C 0.473 177.122 176.600 0.080 0.000 1.007 51 K CA -0.843 55.504 56.287 0.099 0.000 0.928 51 K CB 1.237 33.806 32.500 0.115 0.000 1.013 51 K HN 0.315 nan 8.250 nan 0.000 0.473 52 L N 1.534 122.792 121.223 0.058 0.000 3.597 52 L HA -0.314 4.025 4.340 -0.002 0.000 0.440 52 L C -0.585 176.302 176.870 0.028 0.000 1.277 52 L CA 0.124 54.992 54.840 0.047 0.000 0.852 52 L CB -2.165 39.934 42.059 0.066 0.000 1.708 52 L HN 0.978 nan 8.230 nan 0.000 0.885 53 N N -0.464 118.236 118.700 0.001 0.000 2.725 53 N HA -0.166 4.573 4.740 -0.002 0.000 0.251 53 N C 0.374 175.893 175.510 0.014 0.000 1.031 53 N CA 0.706 53.731 53.050 -0.042 0.000 0.720 53 N CB -0.210 38.217 38.487 -0.100 0.000 0.930 53 N HN 0.739 nan 8.380 nan 0.000 0.543 54 S N 0.127 115.848 115.700 0.035 0.000 2.654 54 S HA 0.689 5.158 4.470 -0.002 0.000 0.283 54 S C -0.382 174.257 174.600 0.065 0.000 1.180 54 S CA -0.768 57.451 58.200 0.031 0.000 1.021 54 S CB 1.508 64.701 63.200 -0.013 0.000 1.018 54 S HN 0.375 nan 8.310 nan 0.000 0.532 55 Y N -1.019 119.291 120.300 0.018 0.000 2.605 55 Y HA 0.849 5.399 4.550 -0.001 0.000 0.343 55 Y C -0.841 175.120 175.900 0.102 0.000 1.036 55 Y CA -1.151 56.972 58.100 0.037 0.000 1.065 55 Y CB 0.998 39.507 38.460 0.081 0.000 1.288 55 Y HN 0.773 nan 8.280 nan 0.000 0.481 56 D N 0.949 121.565 120.400 0.360 0.000 2.781 56 D HA 0.167 4.806 4.640 -0.002 0.000 0.295 56 D C 0.377 177.043 176.300 0.611 0.000 1.143 56 D CA -0.780 53.394 54.000 0.290 0.000 1.076 56 D CB 0.820 41.714 40.800 0.158 0.000 1.444 56 D HN 0.679 nan 8.370 nan 0.000 0.567 57 L N 0.603 122.156 121.223 0.549 0.000 2.079 57 L HA 0.095 4.434 4.340 -0.002 0.000 0.210 57 L C 2.167 179.236 176.870 0.332 0.000 1.081 57 L CA 2.728 57.889 54.840 0.534 0.000 0.752 57 L CB -0.985 41.269 42.059 0.326 0.000 0.896 57 L HN 0.686 nan 8.230 nan 0.000 0.433 58 G N -1.309 107.670 108.800 0.299 0.000 2.422 58 G HA2 -0.210 3.749 3.960 -0.002 0.000 0.218 58 G HA3 -0.210 3.749 3.960 -0.002 0.000 0.218 58 G C 1.534 176.634 174.900 0.333 0.000 1.146 58 G CA 1.035 46.293 45.100 0.264 0.000 0.769 58 G HN 0.341 nan 8.290 nan 0.000 0.547 59 V N 1.024 121.103 119.914 0.276 0.000 2.332 59 V HA -0.184 3.935 4.120 -0.002 0.000 0.248 59 V C 2.414 178.773 176.094 0.441 0.000 1.055 59 V CA 2.340 64.810 62.300 0.284 0.000 1.038 59 V CB -0.447 31.417 31.823 0.069 0.000 0.651 59 V HN 0.371 nan 8.190 nan 0.000 0.450 60 D N -0.447 120.172 120.400 0.366 0.000 2.183 60 D HA -0.063 4.576 4.640 -0.002 0.000 0.203 60 D C 1.987 178.549 176.300 0.435 0.000 0.969 60 D CA 0.768 54.962 54.000 0.324 0.000 0.842 60 D CB -0.094 40.911 40.800 0.342 0.000 0.957 60 D HN 0.413 nan 8.370 nan 0.000 0.484 61 I N 0.601 121.415 120.570 0.408 0.000 2.208 61 I HA -0.234 3.935 4.170 -0.002 0.000 0.245 61 I C 2.110 178.402 176.117 0.292 0.000 1.097 61 I CA 1.171 62.688 61.300 0.361 0.000 1.363 61 I CB -0.203 37.850 38.000 0.090 0.000 1.051 61 I HN 0.104 nan 8.210 nan 0.000 0.413 62 E N 0.354 120.671 120.200 0.194 0.000 2.072 62 E HA -0.233 4.116 4.350 -0.002 0.000 0.191 62 E C 2.105 178.460 176.600 -0.409 0.000 0.985 62 E CA 0.966 57.323 56.400 -0.071 0.000 0.801 62 E CB -0.135 29.576 29.700 0.019 0.000 0.750 62 E HN 0.292 nan 8.360 nan 0.000 0.452 63 L N 0.973 121.948 121.223 -0.413 0.000 2.017 63 L HA -0.216 4.123 4.340 -0.002 0.000 0.208 63 L C 2.402 179.076 176.870 -0.327 0.000 1.073 63 L CA 2.221 56.601 54.840 -0.768 0.000 0.745 63 L CB -0.748 40.939 42.059 -0.621 0.000 0.894 63 L HN 0.150 nan 8.230 nan 0.000 0.432 64 H N -0.745 118.246 119.070 -0.132 0.000 2.319 64 H HA -0.238 4.317 4.556 -0.001 0.000 0.297 64 H C 1.978 177.330 175.328 0.040 0.000 1.097 64 H CA 2.360 58.398 56.048 -0.017 0.000 1.285 64 H CB -0.494 29.377 29.762 0.181 0.000 1.368 64 H HN 0.597 nan 8.280 nan 0.000 0.495 65 D N -0.498 119.844 120.400 -0.097 0.000 2.117 65 D HA -0.119 4.520 4.640 -0.002 0.000 0.197 65 D C 2.277 178.601 176.300 0.040 0.000 0.987 65 D CA 1.655 55.627 54.000 -0.046 0.000 0.829 65 D CB -0.454 40.456 40.800 0.183 0.000 0.961 65 D HN 0.534 nan 8.370 nan 0.000 0.460 66 A N 0.429 123.233 122.820 -0.027 0.000 1.908 66 A HA -0.142 4.177 4.320 -0.002 0.000 0.218 66 A C 2.163 179.778 177.584 0.053 0.000 1.181 66 A CA 1.185 53.251 52.037 0.047 0.000 0.627 66 A CB -0.649 18.226 19.000 -0.208 0.000 0.818 66 A HN 0.340 nan 8.150 nan 0.000 0.445 67 I N -0.155 120.397 120.570 -0.031 0.000 2.315 67 I HA -0.203 3.966 4.170 -0.002 0.000 0.248 67 I C 2.517 178.717 176.117 0.139 0.000 1.117 67 I CA 1.122 62.462 61.300 0.067 0.000 1.404 67 I CB -1.573 36.440 38.000 0.022 0.000 1.071 67 I HN 0.395 nan 8.210 nan 0.000 0.419 68 Q N 0.625 120.476 119.800 0.085 0.000 2.096 68 Q HA -0.170 4.169 4.340 -0.002 0.000 0.204 68 Q C 2.348 178.557 176.000 0.348 0.000 0.982 68 Q CA 1.172 57.102 55.803 0.212 0.000 0.850 68 Q CB -0.259 28.503 28.738 0.041 0.000 0.901 68 Q HN 0.476 nan 8.270 nan 0.000 0.422 69 R N 0.376 121.042 120.500 0.276 0.000 2.073 69 R HA -0.040 4.299 4.340 -0.002 0.000 0.234 69 R C 2.383 178.935 176.300 0.420 0.000 1.134 69 R CA 0.847 57.150 56.100 0.339 0.000 0.952 69 R CB -0.872 29.630 30.300 0.336 0.000 0.850 69 R HN 0.333 nan 8.270 nan 0.000 0.433 70 I N 0.668 121.453 120.570 0.358 0.000 2.163 70 I HA -0.289 3.880 4.170 -0.002 0.000 0.243 70 I C 2.654 178.928 176.117 0.263 0.000 1.085 70 I CA 1.405 62.902 61.300 0.329 0.000 1.347 70 I CB -0.288 37.843 38.000 0.219 0.000 1.044 70 I HN 0.121 nan 8.210 nan 0.000 0.408 71 R N -0.000 120.635 120.500 0.226 0.000 2.080 71 R HA -0.175 4.164 4.340 -0.002 0.000 0.236 71 R C 2.155 178.496 176.300 0.068 0.000 1.137 71 R CA 1.833 57.985 56.100 0.087 0.000 0.943 71 R CB -0.347 29.951 30.300 -0.003 0.000 0.846 71 R HN 0.264 nan 8.270 nan 0.000 0.431 72 F N -0.299 119.845 119.950 0.325 0.000 2.505 72 F HA 0.105 4.631 4.527 -0.002 0.000 0.289 72 F C 1.897 177.888 175.800 0.318 0.000 1.101 72 F CA 0.513 58.770 58.000 0.428 0.000 1.446 72 F CB 0.264 39.471 39.000 0.344 0.000 1.123 72 F HN -0.063 nan 8.300 nan 0.000 0.564 73 E N -1.257 119.132 120.200 0.315 0.000 2.447 73 E HA 0.008 4.357 4.350 -0.002 0.000 0.195 73 E C -0.268 176.032 176.600 -0.500 0.000 1.028 73 E CA 0.439 56.816 56.400 -0.038 0.000 0.876 73 E CB 0.059 29.720 29.700 -0.065 0.000 0.885 73 E HN 0.447 nan 8.360 nan 0.000 0.500 74 H N 0.079 119.102 119.070 -0.077 0.000 2.439 74 H HA 0.115 4.670 4.556 -0.002 0.000 0.230 74 H C -1.869 173.287 175.328 -0.287 0.000 1.420 74 H CA -1.590 54.326 56.048 -0.220 0.000 1.305 74 H CB 0.668 30.301 29.762 -0.215 0.000 1.667 74 H HN 0.048 nan 8.280 nan 0.000 0.515 75 P HA -0.179 nan 4.420 nan 0.000 0.221 75 P C 0.679 177.654 177.300 -0.542 0.000 1.145 75 P CA 1.214 63.789 63.100 -0.875 0.000 0.795 75 P CB 0.594 31.144 31.700 -1.917 0.000 0.775 76 E N -0.718 119.266 120.200 -0.361 0.000 2.478 76 E HA 0.078 4.427 4.350 -0.002 0.000 0.194 76 E C 0.358 176.861 176.600 -0.161 0.000 1.045 76 E CA -0.148 56.096 56.400 -0.261 0.000 0.868 76 E CB 0.242 29.811 29.700 -0.219 0.000 0.885 76 E HN 0.081 nan 8.360 nan 0.000 0.505 77 V N 1.326 121.175 119.914 -0.108 0.000 2.649 77 V HA 0.087 4.206 4.120 -0.002 0.000 0.292 77 V C 1.069 177.104 176.094 -0.097 0.000 1.055 77 V CA 0.364 62.633 62.300 -0.050 0.000 1.023 77 V CB 1.392 33.243 31.823 0.046 0.000 0.992 77 V HN 0.162 nan 8.190 nan 0.000 0.480 78 R N 1.399 121.834 120.500 -0.107 0.000 2.412 78 R HA 0.230 4.569 4.340 -0.002 0.000 0.212 78 R C -0.044 176.149 176.300 -0.179 0.000 0.878 78 R CA 0.121 56.141 56.100 -0.132 0.000 1.022 78 R CB 0.850 31.082 30.300 -0.113 0.000 1.265 78 R HN 0.682 nan 8.270 nan 0.000 0.620 79 T N 0.844 115.292 114.554 -0.178 0.000 2.893 79 T HA 0.442 4.791 4.350 -0.002 0.000 0.293 79 T C -0.985 173.574 174.700 -0.236 0.000 1.027 79 T CA -0.485 61.477 62.100 -0.231 0.000 0.988 79 T CB 2.961 71.727 68.868 -0.170 0.000 1.043 79 T HN -0.251 nan 8.240 nan 0.000 0.461 80 V N 3.143 122.859 119.914 -0.331 0.000 2.409 80 V HA 0.414 4.533 4.120 -0.002 0.000 0.291 80 V C -0.165 175.880 176.094 -0.082 0.000 1.020 80 V CA -0.786 61.389 62.300 -0.208 0.000 0.848 80 V CB 1.656 33.341 31.823 -0.231 0.000 0.990 80 V HN 0.722 nan 8.190 nan 0.000 0.430 81 V N 6.369 126.256 119.914 -0.045 0.000 2.364 81 V HA 0.346 4.465 4.120 -0.002 0.000 0.272 81 V C -0.119 176.030 176.094 0.092 0.000 1.036 81 V CA -0.406 61.898 62.300 0.006 0.000 0.880 81 V CB 1.425 33.227 31.823 -0.034 0.000 0.991 81 V HN 0.674 nan 8.190 nan 0.000 0.460 82 L N 5.858 127.187 121.223 0.178 0.000 2.264 82 L HA 0.757 5.096 4.340 -0.002 0.000 0.289 82 L C -0.031 177.063 176.870 0.373 0.000 1.044 82 L CA 1.001 56.006 54.840 0.275 0.000 0.807 82 L CB 1.446 43.704 42.059 0.332 0.000 1.192 82 L HN 0.766 nan 8.230 nan 0.000 0.425 83 T N 2.700 117.445 114.554 0.319 0.000 2.883 83 T HA 0.489 4.838 4.350 -0.002 0.000 0.301 83 T C -1.136 173.677 174.700 0.188 0.000 1.158 83 T CA -0.452 61.862 62.100 0.355 0.000 1.007 83 T CB 1.556 70.573 68.868 0.247 0.000 1.186 83 T HN 0.680 nan 8.240 nan 0.000 0.499 84 S N 1.888 117.702 115.700 0.189 0.000 2.554 84 S HA 0.517 4.986 4.470 -0.002 0.000 0.278 84 S C 0.806 175.435 174.600 0.049 0.000 1.242 84 S CA -0.744 57.464 58.200 0.013 0.000 1.051 84 S CB 0.269 63.477 63.200 0.013 0.000 0.986 84 S HN 0.611 nan 8.310 nan 0.000 0.502 85 L N 3.525 124.746 121.223 -0.003 0.000 2.653 85 L HA 0.325 4.664 4.340 -0.002 0.000 0.231 85 L C 0.478 177.354 176.870 0.010 0.000 1.153 85 L CA 0.142 54.991 54.840 0.016 0.000 0.933 85 L CB -0.218 41.846 42.059 0.008 0.000 1.175 85 L HN 0.467 nan 8.230 nan 0.000 0.473 86 K N 0.459 120.862 120.400 0.005 0.000 2.207 86 K HA 0.303 4.623 4.320 -0.002 0.000 0.255 86 K C -0.862 175.756 176.600 0.030 0.000 0.941 86 K CA -0.960 55.333 56.287 0.010 0.000 0.825 86 K CB 1.906 34.403 32.500 -0.005 0.000 1.119 86 K HN -0.155 nan 8.250 nan 0.000 0.430 87 D N 2.176 122.592 120.400 0.027 0.000 2.424 87 D HA 0.039 4.678 4.640 -0.002 0.000 0.244 87 D C 0.651 176.971 176.300 0.032 0.000 1.134 87 D CA 0.490 54.507 54.000 0.029 0.000 0.881 87 D CB 0.680 41.494 40.800 0.023 0.000 1.191 87 D HN 0.545 nan 8.370 nan 0.000 0.445 88 R N -1.250 119.270 120.500 0.033 0.000 3.884 88 R HA -0.188 4.151 4.340 -0.002 0.000 0.464 88 R C -0.206 176.126 176.300 0.054 0.000 0.963 88 R CA 0.684 56.804 56.100 0.033 0.000 1.408 88 R CB -1.423 28.893 30.300 0.026 0.000 2.054 88 R HN 0.316 nan 8.270 nan 0.000 0.522 89 V N 0.156 120.113 119.914 0.071 0.000 2.686 89 V HA 0.435 4.554 4.120 -0.002 0.000 0.306 89 V C 0.129 176.309 176.094 0.145 0.000 1.065 89 V CA -0.756 61.604 62.300 0.100 0.000 0.894 89 V CB 1.986 33.850 31.823 0.069 0.000 1.004 89 V HN 0.128 nan 8.190 nan 0.000 0.424 90 F N 5.821 125.800 119.950 0.049 0.000 2.138 90 F HA 0.503 5.029 4.527 -0.001 0.000 0.283 90 F C 0.647 176.488 175.800 0.069 0.000 1.100 90 F CA 1.081 59.121 58.000 0.066 0.000 1.189 90 F CB 0.412 39.468 39.000 0.094 0.000 1.060 90 F HN 0.637 nan 8.300 nan 0.000 0.492 91 C N 1.146 120.517 119.300 0.119 0.000 2.871 91 C HA 0.453 4.912 4.460 -0.002 0.000 0.378 91 C C 0.596 175.690 174.990 0.173 0.000 1.052 91 C CA -0.108 58.927 59.018 0.027 0.000 1.250 91 C CB 0.312 28.010 27.740 -0.071 0.000 1.689 91 C HN 0.586 nan 8.230 nan 0.000 0.506 92 S N 3.609 119.379 115.700 0.116 0.000 2.577 92 S HA 0.580 5.049 4.470 -0.002 0.000 0.219 92 S C 0.875 175.513 174.600 0.064 0.000 0.962 92 S CA 0.823 59.079 58.200 0.094 0.000 0.921 92 S CB -0.151 63.084 63.200 0.058 0.000 0.789 92 S HN 2.618 nan 8.310 nan 0.000 0.497 93 G N 0.978 109.854 108.800 0.127 0.000 2.610 93 G HA2 0.274 4.233 3.960 -0.002 0.000 0.304 93 G HA3 0.274 4.233 3.960 -0.002 0.000 0.304 93 G C -0.123 174.554 174.900 -0.370 0.000 1.309 93 G CA -0.596 44.544 45.100 0.066 0.000 0.906 93 G HN 1.317 nan 8.290 nan 0.000 0.521 94 A N 0.141 122.586 122.820 -0.624 0.000 2.520 94 A HA 0.478 4.797 4.320 -0.002 0.000 0.245 94 A C 0.918 178.239 177.584 -0.439 0.000 1.072 94 A CA 0.627 52.190 52.037 -0.791 0.000 0.761 94 A CB 0.063 18.908 19.000 -0.258 0.000 1.004 94 A HN 1.233 nan 8.150 nan 0.000 0.499 95 N N 2.327 120.780 118.700 -0.412 0.000 2.468 95 N HA 0.026 4.765 4.740 -0.002 0.000 0.265 95 N C 0.930 176.216 175.510 -0.373 0.000 1.199 95 N CA 0.025 52.892 53.050 -0.305 0.000 0.928 95 N CB 0.356 38.715 38.487 -0.214 0.000 1.059 95 N HN 0.598 nan 8.380 nan 0.000 0.467 96 I N 3.443 123.736 120.570 -0.462 0.000 2.315 96 I HA -0.244 3.925 4.170 -0.002 0.000 0.248 96 I C 1.343 177.176 176.117 -0.472 0.000 1.117 96 I CA 0.940 61.891 61.300 -0.582 0.000 1.404 96 I CB -0.181 37.207 38.000 -1.021 0.000 1.071 96 I HN 0.480 nan 8.210 nan 0.000 0.419 97 F N -0.174 119.673 119.950 -0.172 0.000 2.134 97 F HA -0.252 4.273 4.527 -0.002 0.000 0.299 97 F C 2.536 178.188 175.800 -0.247 0.000 1.097 97 F CA 1.221 59.162 58.000 -0.099 0.000 1.264 97 F CB -0.754 38.261 39.000 0.024 0.000 1.001 97 F HN 0.037 nan 8.300 nan 0.000 0.479 98 M N 0.407 119.786 119.600 -0.369 0.000 2.080 98 M HA -0.216 4.263 4.480 -0.002 0.000 0.260 98 M C 2.135 178.170 176.300 -0.441 0.000 1.068 98 M CA 1.931 56.757 55.300 -0.790 0.000 1.109 98 M CB -0.878 30.958 32.600 -1.274 0.000 1.342 98 M HN 0.270 nan 8.290 nan 0.000 0.405 99 L N -0.369 120.631 121.223 -0.372 0.000 2.046 99 L HA -0.142 4.197 4.340 -0.002 0.000 0.208 99 L C 2.641 179.389 176.870 -0.202 0.000 1.077 99 L CA 1.366 56.033 54.840 -0.289 0.000 0.747 99 L CB -1.416 40.493 42.059 -0.249 0.000 0.896 99 L HN 0.454 nan 8.230 nan 0.000 0.432 100 G N -0.100 108.610 108.800 -0.151 0.000 2.432 100 G HA2 -0.200 3.760 3.960 -0.002 0.000 0.219 100 G HA3 -0.200 3.760 3.960 -0.002 0.000 0.219 100 G C 1.526 176.391 174.900 -0.059 0.000 1.135 100 G CA 0.485 45.540 45.100 -0.074 0.000 0.767 100 G HN 0.289 nan 8.290 nan 0.000 0.550 101 L N 0.889 122.067 121.223 -0.076 0.000 2.591 101 L HA 0.203 4.543 4.340 -0.002 0.000 0.228 101 L C 0.759 177.556 176.870 -0.120 0.000 1.133 101 L CA -0.260 54.542 54.840 -0.064 0.000 0.880 101 L CB 0.225 42.273 42.059 -0.018 0.000 1.033 101 L HN 0.008 nan 8.230 nan 0.000 0.450 102 S N -0.188 115.422 115.700 -0.150 0.000 2.585 102 S HA 0.286 4.755 4.470 -0.002 0.000 0.277 102 S C 0.511 175.079 174.600 -0.053 0.000 1.241 102 S CA -0.634 57.475 58.200 -0.152 0.000 1.041 102 S CB 1.328 64.482 63.200 -0.078 0.000 0.987 102 S HN 0.314 nan 8.310 nan 0.000 0.512 103 T N -0.375 114.184 114.554 0.009 0.000 2.748 103 T HA 0.122 4.471 4.350 -0.002 0.000 0.304 103 T C 1.107 175.877 174.700 0.115 0.000 1.041 103 T CA -0.001 62.145 62.100 0.075 0.000 1.033 103 T CB 0.217 69.152 68.868 0.111 0.000 0.995 103 T HN 0.711 nan 8.240 nan 0.000 0.536 104 H N 1.442 120.526 119.070 0.024 0.000 2.290 104 H HA -0.011 4.544 4.556 -0.001 0.000 0.298 104 H C 2.375 177.751 175.328 0.080 0.000 1.087 104 H CA 2.566 58.628 56.048 0.023 0.000 1.291 104 H CB -0.845 28.944 29.762 0.045 0.000 1.369 104 H HN 0.797 nan 8.280 nan 0.000 0.492 105 A N 1.022 123.910 122.820 0.114 0.000 1.940 105 A HA -0.212 4.107 4.320 -0.002 0.000 0.219 105 A C 2.466 180.105 177.584 0.092 0.000 1.176 105 A CA 1.475 53.553 52.037 0.068 0.000 0.631 105 A CB -1.454 17.624 19.000 0.129 0.000 0.814 105 A HN 0.811 nan 8.150 nan 0.000 0.446 106 W N 1.061 122.352 121.300 -0.015 0.000 2.355 106 W HA -0.164 4.496 4.660 -0.001 0.000 0.309 106 W C 1.812 178.336 176.519 0.010 0.000 1.206 106 W CA 2.041 59.387 57.345 0.001 0.000 1.284 106 W CB -0.296 29.145 29.460 -0.031 0.000 1.145 106 W HN 0.346 nan 8.180 nan 0.000 0.502 107 K N -0.014 120.437 120.400 0.085 0.000 2.063 107 K HA -0.184 4.136 4.320 -0.002 0.000 0.208 107 K C 1.821 178.472 176.600 0.085 0.000 1.048 107 K CA 1.892 58.161 56.287 -0.030 0.000 0.928 107 K CB -0.628 31.575 32.500 -0.495 0.000 0.713 107 K HN 0.034 nan 8.250 nan 0.000 0.442 108 V N 2.187 122.103 119.914 0.004 0.000 2.358 108 V HA -0.246 3.873 4.120 -0.002 0.000 0.246 108 V C 2.203 178.332 176.094 0.058 0.000 1.047 108 V CA 1.655 63.995 62.300 0.067 0.000 1.035 108 V CB -0.639 31.155 31.823 -0.048 0.000 0.658 108 V HN 0.468 nan 8.190 nan 0.000 0.452 109 N N -0.039 118.654 118.700 -0.011 0.000 2.120 109 N HA -0.225 4.514 4.740 -0.002 0.000 0.188 109 N C 2.054 177.569 175.510 0.008 0.000 1.024 109 N CA 1.760 54.790 53.050 -0.034 0.000 0.852 109 N CB -0.153 38.252 38.487 -0.136 0.000 1.003 109 N HN 0.467 nan 8.380 nan 0.000 0.424 110 F N 2.048 121.865 119.950 -0.221 0.000 2.102 110 F HA -0.165 4.361 4.527 -0.001 0.000 0.298 110 F C 2.553 178.406 175.800 0.088 0.000 1.105 110 F CA 1.283 59.214 58.000 -0.115 0.000 1.239 110 F CB -0.761 38.127 39.000 -0.186 0.000 0.991 110 F HN 0.113 nan 8.300 nan 0.000 0.474 111 C N 0.907 120.233 119.300 0.043 0.000 2.413 111 C HA -0.176 4.283 4.460 -0.002 0.000 0.276 111 C C 2.791 177.784 174.990 0.005 0.000 1.248 111 C CA 1.521 60.533 59.018 -0.010 0.000 1.742 111 C CB -1.231 26.617 27.740 0.180 0.000 2.017 111 C HN 0.545 nan 8.230 nan 0.000 0.481 112 K N -0.214 120.240 120.400 0.091 0.000 2.025 112 K HA -0.155 4.164 4.320 -0.002 0.000 0.207 112 K C 1.940 178.623 176.600 0.137 0.000 1.049 112 K CA 1.470 57.858 56.287 0.168 0.000 0.933 112 K CB -0.370 32.204 32.500 0.124 0.000 0.714 112 K HN 0.451 nan 8.250 nan 0.000 0.438 113 F N 1.795 121.721 119.950 -0.040 0.000 2.113 113 F HA -0.207 4.319 4.527 -0.001 0.000 0.297 113 F C 2.340 178.084 175.800 -0.093 0.000 1.103 113 F CA 2.197 60.161 58.000 -0.060 0.000 1.248 113 F CB -0.759 38.231 39.000 -0.017 0.000 0.999 113 F HN 0.162 nan 8.300 nan 0.000 0.475 114 T N -1.987 112.468 114.554 -0.165 0.000 2.788 114 T HA -0.230 4.119 4.350 -0.002 0.000 0.268 114 T C 1.761 176.300 174.700 -0.267 0.000 1.044 114 T CA 1.900 63.827 62.100 -0.289 0.000 1.139 114 T CB -1.166 67.490 68.868 -0.352 0.000 0.867 114 T HN 0.426 nan 8.240 nan 0.000 0.454 115 N N 1.254 119.847 118.700 -0.180 0.000 2.120 115 N HA -0.090 4.649 4.740 -0.002 0.000 0.188 115 N C 2.102 177.529 175.510 -0.139 0.000 1.024 115 N CA 1.479 54.428 53.050 -0.170 0.000 0.852 115 N CB -0.137 38.239 38.487 -0.185 0.000 1.003 115 N HN 0.616 nan 8.380 nan 0.000 0.424 116 E N -0.354 119.788 120.200 -0.096 0.000 2.106 116 E HA -0.101 4.248 4.350 -0.002 0.000 0.192 116 E C 1.709 178.157 176.600 -0.254 0.000 0.984 116 E CA 1.050 57.389 56.400 -0.102 0.000 0.806 116 E CB 0.018 29.639 29.700 -0.132 0.000 0.750 116 E HN 0.335 nan 8.360 nan 0.000 0.458 117 T N 0.863 115.154 114.554 -0.438 0.000 2.746 117 T HA -0.134 4.215 4.350 -0.002 0.000 0.267 117 T C 1.842 176.390 174.700 -0.254 0.000 1.039 117 T CA 1.195 63.072 62.100 -0.370 0.000 1.142 117 T CB -0.094 68.499 68.868 -0.460 0.000 0.866 117 T HN 0.075 nan 8.240 nan 0.000 0.444 118 R N 1.100 121.454 120.500 -0.244 0.000 2.075 118 R HA 0.034 4.373 4.340 -0.002 0.000 0.232 118 R C 2.448 178.634 176.300 -0.189 0.000 1.126 118 R CA 1.191 57.160 56.100 -0.218 0.000 0.963 118 R CB -0.229 29.956 30.300 -0.190 0.000 0.858 118 R HN 0.264 nan 8.270 nan 0.000 0.435 119 N N 0.084 118.697 118.700 -0.146 0.000 2.205 119 N HA -0.124 4.615 4.740 -0.002 0.000 0.186 119 N C 1.725 177.191 175.510 -0.074 0.000 1.015 119 N CA 1.552 54.550 53.050 -0.087 0.000 0.862 119 N CB -0.627 37.851 38.487 -0.015 0.000 0.986 119 N HN 0.368 nan 8.380 nan 0.000 0.429 120 G N 0.920 109.664 108.800 -0.094 0.000 2.448 120 G HA2 -0.138 3.821 3.960 -0.002 0.000 0.219 120 G HA3 -0.138 3.821 3.960 -0.002 0.000 0.219 120 G C 1.610 176.433 174.900 -0.128 0.000 1.127 120 G CA 0.287 45.348 45.100 -0.064 0.000 0.766 120 G HN 0.245 nan 8.290 nan 0.000 0.552 121 L N -0.064 120.985 121.223 -0.290 0.000 2.027 121 L HA -0.046 4.293 4.340 -0.002 0.000 0.206 121 L C 2.844 179.535 176.870 -0.298 0.000 1.074 121 L CA 1.357 55.830 54.840 -0.611 0.000 0.745 121 L CB -0.484 41.061 42.059 -0.857 0.000 0.898 121 L HN 0.262 nan 8.230 nan 0.000 0.433 122 E N 0.084 120.184 120.200 -0.168 0.000 2.106 122 E HA -0.254 4.095 4.350 -0.002 0.000 0.192 122 E C 1.711 178.301 176.600 -0.017 0.000 0.984 122 E CA 1.372 57.736 56.400 -0.060 0.000 0.806 122 E CB -0.094 29.572 29.700 -0.055 0.000 0.750 122 E HN 0.444 nan 8.360 nan 0.000 0.458 123 D N 0.120 120.526 120.400 0.010 0.000 2.133 123 D HA -0.154 4.485 4.640 -0.002 0.000 0.195 123 D C 1.861 178.231 176.300 0.116 0.000 0.997 123 D CA 1.485 55.541 54.000 0.094 0.000 0.840 123 D CB 0.073 40.944 40.800 0.119 0.000 0.947 123 D HN -0.079 nan 8.370 nan 0.000 0.452 124 S N -1.156 114.617 115.700 0.123 0.000 2.406 124 S HA -0.111 4.358 4.470 -0.002 0.000 0.228 124 S C 1.894 176.600 174.600 0.177 0.000 1.020 124 S CA 0.832 59.144 58.200 0.188 0.000 0.965 124 S CB -0.293 63.080 63.200 0.287 0.000 0.798 124 S HN 0.302 nan 8.310 nan 0.000 0.488 125 S N 1.272 117.087 115.700 0.191 0.000 2.382 125 S HA -0.064 4.405 4.470 -0.002 0.000 0.228 125 S C 1.945 176.527 174.600 -0.029 0.000 1.027 125 S CA 0.990 59.262 58.200 0.120 0.000 0.991 125 S CB -0.101 63.183 63.200 0.140 0.000 0.823 125 S HN 0.438 nan 8.310 nan 0.000 0.469 126 R N -0.885 119.521 120.500 -0.157 0.000 2.073 126 R HA 0.062 4.401 4.340 -0.002 0.000 0.229 126 R C 1.454 177.484 176.300 -0.450 0.000 1.120 126 R CA 1.398 57.244 56.100 -0.424 0.000 0.967 126 R CB -0.152 29.664 30.300 -0.806 0.000 0.862 126 R HN 0.544 nan 8.270 nan 0.000 0.436 127 H N -2.198 116.899 119.070 0.045 0.000 3.233 127 H HA 0.323 4.878 4.556 -0.002 0.000 0.263 127 H C 0.748 176.106 175.328 0.049 0.000 1.168 127 H CA -0.016 56.058 56.048 0.042 0.000 1.159 127 H CB 1.276 31.061 29.762 0.040 0.000 1.593 127 H HN 0.005 nan 8.280 nan 0.000 0.580 128 S N -0.687 115.092 115.700 0.131 0.000 2.540 128 S HA 0.252 4.721 4.470 -0.002 0.000 0.222 128 S C 1.559 176.196 174.600 0.063 0.000 1.008 128 S CA 0.490 58.751 58.200 0.102 0.000 0.939 128 S CB 1.124 64.383 63.200 0.098 0.000 0.865 128 S HN 0.644 nan 8.310 nan 0.000 0.499 129 G N 1.770 110.592 108.800 0.037 0.000 2.147 129 G HA2 -0.225 3.734 3.960 -0.002 0.000 0.244 129 G HA3 -0.225 3.734 3.960 -0.002 0.000 0.244 129 G C -0.166 174.705 174.900 -0.047 0.000 1.005 129 G CA 0.103 45.202 45.100 -0.002 0.000 0.713 129 G HN 0.433 nan 8.290 nan 0.000 0.515 130 L N -0.486 120.703 121.223 -0.056 0.000 2.330 130 L HA 0.742 5.081 4.340 -0.002 0.000 0.271 130 L C 0.115 176.854 176.870 -0.218 0.000 1.013 130 L CA -1.101 53.624 54.840 -0.191 0.000 0.816 130 L CB 1.702 43.607 42.059 -0.257 0.000 1.287 130 L HN -0.127 nan 8.230 nan 0.000 0.435 131 K N 1.918 122.099 120.400 -0.364 0.000 2.375 131 K HA 0.573 4.892 4.320 -0.002 0.000 0.249 131 K C -1.429 174.871 176.600 -0.500 0.000 0.942 131 K CA -0.498 55.635 56.287 -0.257 0.000 0.806 131 K CB 2.433 34.858 32.500 -0.126 0.000 1.227 131 K HN 0.228 nan 8.250 nan 0.000 0.430 132 F N 1.943 121.878 119.950 -0.025 0.000 2.449 132 F HA 0.386 4.912 4.527 -0.001 0.000 0.342 132 F C -0.151 175.638 175.800 -0.019 0.000 1.127 132 F CA -1.096 56.893 58.000 -0.018 0.000 0.975 132 F CB 1.362 40.356 39.000 -0.010 0.000 1.146 132 F HN 0.150 nan 8.300 nan 0.000 0.444 133 L N 3.921 125.201 121.223 0.095 0.000 2.319 133 L HA 0.813 5.152 4.340 -0.002 0.000 0.281 133 L C -0.523 176.394 176.870 0.078 0.000 1.005 133 L CA -0.690 54.166 54.840 0.026 0.000 0.828 133 L CB 1.092 43.081 42.059 -0.116 0.000 1.227 133 L HN 0.645 nan 8.230 nan 0.000 0.415 134 A N 4.824 127.709 122.820 0.108 0.000 2.302 134 A HA 0.735 5.054 4.320 -0.002 0.000 0.295 134 A C 0.140 177.787 177.584 0.105 0.000 1.235 134 A CA 0.059 52.180 52.037 0.140 0.000 0.876 134 A CB 0.135 19.192 19.000 0.097 0.000 1.133 134 A HN 1.066 nan 8.150 nan 0.000 0.533 135 A N 3.522 126.445 122.820 0.171 0.000 2.444 135 A HA 0.548 4.867 4.320 -0.002 0.000 0.332 135 A C -0.333 177.441 177.584 0.316 0.000 1.430 135 A CA -0.336 51.866 52.037 0.276 0.000 0.975 135 A CB -0.008 19.115 19.000 0.205 0.000 1.147 135 A HN 0.803 nan 8.150 nan 0.000 0.524 136 V N 3.964 123.971 119.914 0.154 0.000 2.348 136 V HA 0.283 4.402 4.120 -0.002 0.000 0.270 136 V C -0.161 175.862 176.094 -0.118 0.000 1.037 136 V CA -0.565 61.583 62.300 -0.254 0.000 0.872 136 V CB 0.865 32.416 31.823 -0.453 0.000 1.002 136 V HN 0.836 nan 8.190 nan 0.000 0.464 137 N N 3.929 122.614 118.700 -0.024 0.000 2.399 137 N HA 0.706 5.445 4.740 -0.002 0.000 0.284 137 N C -0.025 175.502 175.510 0.029 0.000 1.025 137 N CA 1.002 53.974 53.050 -0.129 0.000 0.885 137 N CB 1.981 40.388 38.487 -0.134 0.000 1.339 137 N HN 0.979 nan 8.380 nan 0.000 0.487 138 G N 1.562 110.354 108.800 -0.012 0.000 2.582 138 G HA2 0.200 4.159 3.960 -0.002 0.000 0.222 138 G HA3 0.200 4.159 3.960 -0.002 0.000 0.222 138 G C -0.738 174.208 174.900 0.077 0.000 1.311 138 G CA -0.385 44.742 45.100 0.044 0.000 0.915 138 G HN 0.902 nan 8.290 nan 0.000 0.528 139 A N -1.235 121.644 122.820 0.098 0.000 2.450 139 A HA 0.523 4.842 4.320 -0.002 0.000 0.255 139 A C 0.660 178.360 177.584 0.194 0.000 1.096 139 A CA 0.897 52.998 52.037 0.107 0.000 0.778 139 A CB 0.380 19.431 19.000 0.085 0.000 1.031 139 A HN 2.326 nan 8.150 nan 0.000 0.494 140 C N 3.875 123.284 119.300 0.182 0.000 2.521 140 C HA 0.723 5.182 4.460 -0.002 0.000 0.291 140 C C 0.230 175.364 174.990 0.241 0.000 1.074 140 C CA 0.145 59.338 59.018 0.292 0.000 1.495 140 C CB -1.171 26.693 27.740 0.207 0.000 1.862 140 C HN 1.144 nan 8.230 nan 0.000 0.418 141 A N 4.474 127.426 122.820 0.221 0.000 2.355 141 A HA 0.883 5.202 4.320 -0.002 0.000 0.317 141 A C 0.796 178.472 177.584 0.153 0.000 1.094 141 A CA 0.663 52.781 52.037 0.135 0.000 0.764 141 A CB 0.846 19.889 19.000 0.071 0.000 1.230 141 A HN 2.497 nan 8.150 nan 0.000 0.448 142 G N 1.920 110.790 108.800 0.117 0.000 2.591 142 G HA2 -0.108 3.851 3.960 -0.002 0.000 0.298 142 G HA3 -0.108 3.851 3.960 -0.002 0.000 0.298 142 G C 1.456 176.477 174.900 0.201 0.000 1.195 142 G CA 1.079 46.245 45.100 0.110 0.000 0.989 142 G HN 2.097 nan 8.290 nan 0.000 0.551 143 G N 0.576 109.493 108.800 0.195 0.000 2.485 143 G HA2 0.143 4.102 3.960 -0.002 0.000 0.221 143 G HA3 0.143 4.102 3.960 -0.002 0.000 0.221 143 G C 1.905 177.029 174.900 0.373 0.000 1.115 143 G CA 2.148 47.440 45.100 0.321 0.000 0.751 143 G HN 1.810 nan 8.290 nan 0.000 0.567 144 G N -0.108 108.906 108.800 0.356 0.000 2.446 144 G HA2 -0.301 3.659 3.960 -0.002 0.000 0.217 144 G HA3 -0.301 3.659 3.960 -0.002 0.000 0.217 144 G C 1.649 176.817 174.900 0.447 0.000 1.168 144 G CA 1.133 46.476 45.100 0.404 0.000 0.771 144 G HN 0.433 nan 8.290 nan 0.000 0.551 145 Y N 1.553 122.004 120.300 0.252 0.000 2.314 145 Y HA 0.024 4.573 4.550 -0.002 0.000 0.293 145 Y C 2.724 178.733 175.900 0.182 0.000 1.129 145 Y CA 1.643 59.870 58.100 0.212 0.000 1.201 145 Y CB -0.066 38.526 38.460 0.220 0.000 0.999 145 Y HN 0.377 nan 8.280 nan 0.000 0.541 146 E N -0.440 119.834 120.200 0.122 0.000 2.153 146 E HA -0.211 4.138 4.350 -0.002 0.000 0.194 146 E C 1.968 178.550 176.600 -0.031 0.000 0.988 146 E CA 1.194 57.595 56.400 0.002 0.000 0.811 146 E CB -0.284 29.462 29.700 0.076 0.000 0.746 146 E HN 0.404 nan 8.360 nan 0.000 0.466 147 L N 0.939 122.196 121.223 0.057 0.000 2.044 147 L HA -0.027 4.312 4.340 -0.002 0.000 0.205 147 L C 2.236 179.132 176.870 0.043 0.000 1.075 147 L CA 1.878 56.743 54.840 0.042 0.000 0.747 147 L CB -0.630 41.491 42.059 0.104 0.000 0.903 147 L HN 0.006 nan 8.230 nan 0.000 0.435 148 A N -0.358 122.519 122.820 0.095 0.000 1.940 148 A HA -0.194 4.125 4.320 -0.002 0.000 0.219 148 A C 2.284 179.799 177.584 -0.114 0.000 1.176 148 A CA 1.989 54.044 52.037 0.029 0.000 0.631 148 A CB -1.008 17.997 19.000 0.009 0.000 0.814 148 A HN 0.515 nan 8.150 nan 0.000 0.446 149 L N -0.958 120.094 121.223 -0.285 0.000 2.129 149 L HA -0.243 4.096 4.340 -0.002 0.000 0.212 149 L C 2.872 179.658 176.870 -0.140 0.000 1.087 149 L CA 1.110 55.782 54.840 -0.280 0.000 0.757 149 L CB -0.368 41.481 42.059 -0.350 0.000 0.896 149 L HN 0.463 nan 8.230 nan 0.000 0.434 150 A N -1.618 121.130 122.820 -0.121 0.000 2.169 150 A HA -0.002 4.317 4.320 -0.002 0.000 0.212 150 A C 1.226 178.745 177.584 -0.108 0.000 1.153 150 A CA -0.023 51.941 52.037 -0.122 0.000 0.756 150 A CB -0.597 18.309 19.000 -0.156 0.000 0.813 150 A HN 0.424 nan 8.150 nan 0.000 0.471 151 C N -0.050 119.221 119.300 -0.047 0.000 2.639 151 C HA 0.133 4.592 4.460 -0.002 0.000 0.360 151 C C 1.596 176.625 174.990 0.065 0.000 1.351 151 C CA -0.420 58.624 59.018 0.043 0.000 2.408 151 C CB 0.168 27.973 27.740 0.109 0.000 2.517 151 C HN 0.610 nan 8.230 nan 0.000 0.696 152 D N 0.084 120.564 120.400 0.133 0.000 2.149 152 D HA -0.019 4.620 4.640 -0.002 0.000 0.201 152 D C 0.421 176.770 176.300 0.081 0.000 0.972 152 D CA 1.367 55.425 54.000 0.096 0.000 0.835 152 D CB 0.337 41.200 40.800 0.104 0.000 0.966 152 D HN 0.679 nan 8.370 nan 0.000 0.476 153 E N -0.226 120.033 120.200 0.098 0.000 2.408 153 E HA 0.536 4.885 4.350 -0.002 0.000 0.275 153 E C -0.829 175.866 176.600 0.159 0.000 0.935 153 E CA -0.545 55.936 56.400 0.136 0.000 0.775 153 E CB 2.987 32.800 29.700 0.187 0.000 1.277 153 E HN -0.092 nan 8.360 nan 0.000 0.455 154 I N 2.077 122.770 120.570 0.203 0.000 2.447 154 I HA 0.327 4.497 4.170 -0.002 0.000 0.287 154 I C -1.365 174.940 176.117 0.315 0.000 1.023 154 I CA -0.817 60.601 61.300 0.197 0.000 1.083 154 I CB 0.831 38.904 38.000 0.121 0.000 1.245 154 I HN 0.356 nan 8.210 nan 0.000 0.434 155 Y N 5.990 126.322 120.300 0.053 0.000 2.352 155 Y HA 0.596 5.145 4.550 -0.002 0.000 0.339 155 Y C -0.451 175.585 175.900 0.228 0.000 0.992 155 Y CA -1.000 57.167 58.100 0.110 0.000 1.100 155 Y CB 1.924 40.408 38.460 0.040 0.000 1.192 155 Y HN 0.383 nan 8.280 nan 0.000 0.458 156 L N 3.715 125.107 121.223 0.282 0.000 2.341 156 L HA 0.660 4.999 4.340 -0.002 0.000 0.278 156 L C -0.988 175.935 176.870 0.088 0.000 1.005 156 L CA -0.757 54.166 54.840 0.138 0.000 0.818 156 L CB 1.501 43.571 42.059 0.019 0.000 1.259 156 L HN 0.375 nan 8.230 nan 0.000 0.418 157 V N 3.525 123.293 119.914 -0.244 0.000 2.673 157 V HA 0.040 4.159 4.120 -0.002 0.000 0.303 157 V C 0.115 176.124 176.094 -0.143 0.000 1.046 157 V CA 0.015 62.082 62.300 -0.387 0.000 1.126 157 V CB 0.729 32.161 31.823 -0.653 0.000 0.934 157 V HN 0.776 nan 8.190 nan 0.000 0.487 158 D N 4.351 124.711 120.400 -0.067 0.000 2.522 158 D HA 0.312 4.951 4.640 -0.002 0.000 0.218 158 D C -0.427 175.840 176.300 -0.055 0.000 1.149 158 D CA -0.290 53.682 54.000 -0.047 0.000 0.981 158 D CB -0.107 40.684 40.800 -0.016 0.000 1.041 158 D HN 0.802 nan 8.370 nan 0.000 0.518 159 D N -0.166 120.192 120.400 -0.071 0.000 2.643 159 D HA 0.165 4.804 4.640 -0.002 0.000 0.283 159 D C 0.745 177.012 176.300 -0.056 0.000 1.242 159 D CA -0.758 53.207 54.000 -0.058 0.000 0.863 159 D CB 0.862 41.625 40.800 -0.061 0.000 1.382 159 D HN -0.042 nan 8.370 nan 0.000 0.444 160 R N 0.064 120.538 120.500 -0.043 0.000 2.115 160 R HA -0.043 4.296 4.340 -0.002 0.000 0.230 160 R C 1.778 178.057 176.300 -0.035 0.000 1.111 160 R CA 2.155 58.232 56.100 -0.038 0.000 0.976 160 R CB -0.519 29.763 30.300 -0.029 0.000 0.870 160 R HN 0.507 nan 8.270 nan 0.000 0.445 161 S N -1.451 114.227 115.700 -0.035 0.000 2.481 161 S HA 0.072 4.541 4.470 -0.002 0.000 0.231 161 S C 0.414 174.998 174.600 -0.027 0.000 0.996 161 S CA 0.200 58.385 58.200 -0.025 0.000 0.942 161 S CB 0.055 63.241 63.200 -0.023 0.000 0.768 161 S HN 0.097 nan 8.310 nan 0.000 0.520 162 S N 2.056 117.726 115.700 -0.049 0.000 2.433 162 S HA 0.687 5.157 4.470 -0.002 0.000 0.310 162 S C -0.313 174.259 174.600 -0.047 0.000 1.097 162 S CA -0.579 57.587 58.200 -0.056 0.000 1.103 162 S CB 1.409 64.542 63.200 -0.111 0.000 0.992 162 S HN 0.712 nan 8.310 nan 0.000 0.469 163 S N 1.134 116.820 115.700 -0.024 0.000 2.596 163 S HA 0.771 5.240 4.470 -0.002 0.000 0.270 163 S C -0.741 173.857 174.600 -0.004 0.000 1.155 163 S CA -0.980 57.204 58.200 -0.026 0.000 0.827 163 S CB 0.930 64.117 63.200 -0.022 0.000 1.130 163 S HN 0.763 nan 8.310 nan 0.000 0.467 164 V N -0.197 119.706 119.914 -0.019 0.000 2.581 164 V HA 1.008 5.127 4.120 -0.002 0.000 0.303 164 V C -0.248 175.869 176.094 0.040 0.000 1.041 164 V CA -0.159 62.123 62.300 -0.028 0.000 0.907 164 V CB 0.770 32.457 31.823 -0.228 0.000 0.994 164 V HN 1.563 nan 8.190 nan 0.000 0.442 165 S N 3.583 119.252 115.700 -0.051 0.000 2.570 165 S HA 0.778 5.247 4.470 -0.002 0.000 0.270 165 S C -1.136 173.224 174.600 -0.400 0.000 1.149 165 S CA -0.889 57.137 58.200 -0.289 0.000 0.837 165 S CB 1.782 64.889 63.200 -0.155 0.000 1.124 165 S HN 0.879 nan 8.310 nan 0.000 0.465 166 L N 1.995 122.789 121.223 -0.716 0.000 2.470 166 L HA 0.424 4.763 4.340 -0.002 0.000 0.253 166 L C -2.070 174.632 176.870 -0.280 0.000 1.163 166 L CA -1.625 52.985 54.840 -0.383 0.000 0.932 166 L CB 2.208 44.040 42.059 -0.379 0.000 1.213 166 L HN 0.591 nan 8.230 nan 0.000 0.485 167 P HA 0.030 nan 4.420 nan 0.000 0.249 167 P C 0.727 177.988 177.300 -0.064 0.000 1.229 167 P CA 0.256 63.292 63.100 -0.106 0.000 0.788 167 P CB 0.649 32.307 31.700 -0.070 0.000 1.072 168 E N 0.292 120.457 120.200 -0.057 0.000 2.070 168 E HA -0.154 4.195 4.350 -0.002 0.000 0.197 168 E C 2.067 178.658 176.600 -0.014 0.000 1.004 168 E CA 1.426 57.810 56.400 -0.027 0.000 0.805 168 E CB -1.217 28.480 29.700 -0.006 0.000 0.744 168 E HN 0.042 nan 8.360 nan 0.000 0.451 169 V N 1.177 121.076 119.914 -0.025 0.000 2.237 169 V HA -0.178 3.941 4.120 -0.002 0.000 0.245 169 V C -0.823 175.274 176.094 0.004 0.000 1.046 169 V CA 2.189 64.478 62.300 -0.018 0.000 1.007 169 V CB -1.463 30.341 31.823 -0.031 0.000 0.638 169 V HN 0.318 nan 8.190 nan 0.000 0.445 170 P HA -0.081 nan 4.420 nan 0.000 0.222 170 P C 1.780 179.126 177.300 0.075 0.000 1.153 170 P CA 1.189 64.316 63.100 0.045 0.000 0.798 170 P CB 0.175 31.891 31.700 0.026 0.000 0.796 171 L N -1.290 119.962 121.223 0.049 0.000 2.221 171 L HA 0.145 4.484 4.340 -0.002 0.000 0.202 171 L C 1.941 178.854 176.870 0.072 0.000 1.074 171 L CA 1.604 56.483 54.840 0.065 0.000 0.795 171 L CB -0.909 41.169 42.059 0.031 0.000 0.960 171 L HN -0.217 nan 8.230 nan 0.000 0.458 172 L N -0.397 120.848 121.223 0.037 0.000 2.638 172 L HA 0.479 4.818 4.340 -0.002 0.000 0.232 172 L C 1.463 178.380 176.870 0.079 0.000 1.099 172 L CA 0.697 55.556 54.840 0.032 0.000 0.883 172 L CB -0.409 41.640 42.059 -0.018 0.000 1.136 172 L HN 0.289 nan 8.230 nan 0.000 0.492 173 G N 0.685 109.528 108.800 0.071 0.000 2.225 173 G HA2 -0.207 3.752 3.960 -0.002 0.000 0.267 173 G HA3 -0.207 3.752 3.960 -0.002 0.000 0.267 173 G C 0.276 175.184 174.900 0.013 0.000 1.024 173 G CA 0.638 45.744 45.100 0.011 0.000 0.784 173 G HN 0.424 nan 8.290 nan 0.000 0.507 174 V N -3.547 116.389 119.914 0.037 0.000 3.156 174 V HA 0.891 5.011 4.120 -0.002 0.000 0.311 174 V C 0.671 176.768 176.094 0.004 0.000 1.208 174 V CA -1.720 60.603 62.300 0.039 0.000 1.063 174 V CB 1.788 33.695 31.823 0.141 0.000 1.098 174 V HN 0.303 nan 8.190 nan 0.000 0.452 175 L N 0.300 121.507 121.223 -0.027 0.000 2.416 175 L HA 0.530 4.869 4.340 -0.002 0.000 0.262 175 L C -2.323 174.546 176.870 -0.001 0.000 1.093 175 L CA -1.857 52.968 54.840 -0.024 0.000 0.801 175 L CB 1.109 43.146 42.059 -0.036 0.000 1.191 175 L HN 0.436 nan 8.230 nan 0.000 0.459 176 P HA 0.047 nan 4.420 nan 0.000 0.264 176 P C 0.452 177.762 177.300 0.017 0.000 1.537 176 P CA 0.196 63.318 63.100 0.035 0.000 1.189 176 P CB 0.256 31.990 31.700 0.057 0.000 1.687 177 G N 1.737 110.546 108.800 0.016 0.000 3.088 177 G HA2 -0.036 3.923 3.960 -0.002 0.000 0.217 177 G HA3 -0.036 3.923 3.960 -0.002 0.000 0.217 177 G C 0.523 175.409 174.900 -0.023 0.000 1.159 177 G CA 0.000 45.089 45.100 -0.018 0.000 0.760 177 G HN 0.295 nan 8.290 nan 0.000 0.550 178 T N 0.979 115.531 114.554 -0.004 0.000 3.341 178 T HA 0.433 4.782 4.350 -0.002 0.000 0.234 178 T C 1.597 176.247 174.700 -0.083 0.000 0.890 178 T CA 0.355 62.428 62.100 -0.045 0.000 0.952 178 T CB -0.020 68.847 68.868 -0.001 0.000 1.146 178 T HN 0.709 nan 8.240 nan 0.000 0.591 179 G N 0.987 109.721 108.800 -0.109 0.000 2.184 179 G HA2 -0.286 3.673 3.960 -0.002 0.000 0.264 179 G HA3 -0.286 3.673 3.960 -0.002 0.000 0.264 179 G C 1.197 176.058 174.900 -0.064 0.000 0.975 179 G CA 0.150 45.174 45.100 -0.126 0.000 0.642 179 G HN 0.725 nan 8.290 nan 0.000 0.536 180 G N 0.546 109.336 108.800 -0.016 0.000 2.459 180 G HA2 -0.049 3.910 3.960 -0.002 0.000 0.217 180 G HA3 -0.049 3.910 3.960 -0.002 0.000 0.217 180 G C 1.818 176.757 174.900 0.064 0.000 1.183 180 G CA 1.280 46.405 45.100 0.042 0.000 0.776 180 G HN 0.636 nan 8.290 nan 0.000 0.552 181 L N 0.509 121.757 121.223 0.042 0.000 2.056 181 L HA -0.080 4.260 4.340 -0.002 0.000 0.207 181 L C 3.192 180.076 176.870 0.023 0.000 1.078 181 L CA 1.646 56.514 54.840 0.046 0.000 0.749 181 L CB -0.960 41.105 42.059 0.009 0.000 0.901 181 L HN 0.208 nan 8.230 nan 0.000 0.433 182 T N -0.886 113.659 114.554 -0.014 0.000 2.867 182 T HA -0.136 4.213 4.350 -0.002 0.000 0.268 182 T C 2.029 176.717 174.700 -0.020 0.000 1.057 182 T CA 1.017 63.099 62.100 -0.030 0.000 1.136 182 T CB -0.156 68.672 68.868 -0.067 0.000 0.874 182 T HN 0.290 nan 8.240 nan 0.000 0.466 183 R N 0.346 120.833 120.500 -0.021 0.000 2.090 183 R HA 0.062 4.401 4.340 -0.002 0.000 0.228 183 R C 2.519 178.829 176.300 0.017 0.000 1.110 183 R CA 0.594 56.682 56.100 -0.020 0.000 0.973 183 R CB -0.599 29.669 30.300 -0.054 0.000 0.869 183 R HN 0.224 nan 8.270 nan 0.000 0.440 184 V N 1.090 121.042 119.914 0.063 0.000 2.332 184 V HA -0.281 3.839 4.120 -0.002 0.000 0.248 184 V C 2.554 178.687 176.094 0.064 0.000 1.055 184 V CA 2.474 64.840 62.300 0.111 0.000 1.038 184 V CB -0.603 31.340 31.823 0.199 0.000 0.651 184 V HN 0.582 nan 8.190 nan 0.000 0.450 185 T N -2.589 111.991 114.554 0.044 0.000 2.866 185 T HA -0.091 4.258 4.350 -0.002 0.000 0.250 185 T C 1.522 176.230 174.700 0.014 0.000 1.033 185 T CA 1.246 63.362 62.100 0.027 0.000 1.145 185 T CB -0.388 68.490 68.868 0.017 0.000 0.866 185 T HN 0.376 nan 8.240 nan 0.000 0.434 186 D N 0.931 121.335 120.400 0.006 0.000 2.194 186 D HA 0.116 4.755 4.640 -0.002 0.000 0.204 186 D C 2.031 178.335 176.300 0.007 0.000 0.964 186 D CA 0.855 54.857 54.000 0.003 0.000 0.846 186 D CB 0.014 40.812 40.800 -0.005 0.000 0.962 186 D HN 0.497 nan 8.370 nan 0.000 0.490 187 K N -0.133 120.269 120.400 0.005 0.000 2.225 187 K HA 0.093 4.413 4.320 -0.002 0.000 0.204 187 K C 1.717 178.323 176.600 0.010 0.000 1.047 187 K CA 0.051 56.341 56.287 0.004 0.000 0.970 187 K CB 0.484 32.979 32.500 -0.008 0.000 0.939 187 K HN -0.178 nan 8.250 nan 0.000 0.472 188 R N 1.122 121.631 120.500 0.016 0.000 2.200 188 R HA 0.068 4.407 4.340 -0.002 0.000 0.208 188 R C 0.060 176.370 176.300 0.016 0.000 1.033 188 R CA 0.336 56.450 56.100 0.023 0.000 1.000 188 R CB -0.012 30.314 30.300 0.044 0.000 0.906 188 R HN 0.155 nan 8.270 nan 0.000 0.462 189 K N 0.379 120.787 120.400 0.013 0.000 3.125 189 K HA -0.103 4.216 4.320 -0.002 0.000 0.268 189 K C -0.555 176.038 176.600 -0.011 0.000 1.078 189 K CA 0.386 56.675 56.287 0.003 0.000 0.775 189 K CB -2.499 30.002 32.500 0.000 0.000 1.253 189 K HN 0.044 nan 8.250 nan 0.000 0.486 190 V N 1.219 121.129 119.914 -0.007 0.000 2.521 190 V HA 0.050 4.169 4.120 -0.002 0.000 0.286 190 V C 1.533 177.581 176.094 -0.077 0.000 1.034 190 V CA -0.121 62.152 62.300 -0.045 0.000 1.045 190 V CB 0.788 32.598 31.823 -0.021 0.000 0.974 190 V HN 0.261 nan 8.190 nan 0.000 0.480 191 R N 2.725 123.128 120.500 -0.161 0.000 2.585 191 R HA -0.030 4.309 4.340 -0.002 0.000 0.275 191 R C 1.635 177.811 176.300 -0.207 0.000 1.018 191 R CA 0.193 56.178 56.100 -0.191 0.000 1.072 191 R CB 0.296 30.425 30.300 -0.285 0.000 0.953 191 R HN 0.993 nan 8.270 nan 0.000 0.419 192 H N 1.975 120.979 119.070 -0.109 0.000 2.387 192 H HA -0.155 4.400 4.556 -0.002 0.000 0.299 192 H C 1.112 176.384 175.328 -0.094 0.000 1.099 192 H CA 1.807 57.805 56.048 -0.083 0.000 1.315 192 H CB -0.012 29.710 29.762 -0.066 0.000 1.380 192 H HN 0.766 nan 8.280 nan 0.000 0.513 193 D N 1.038 121.103 120.400 -0.559 0.000 2.183 193 D HA -0.132 4.507 4.640 -0.002 0.000 0.203 193 D C 2.004 178.144 176.300 -0.267 0.000 0.969 193 D CA 0.686 54.489 54.000 -0.329 0.000 0.842 193 D CB -0.383 40.193 40.800 -0.374 0.000 0.957 193 D HN 0.448 nan 8.370 nan 0.000 0.484 194 R N 0.598 120.846 120.500 -0.419 0.000 2.075 194 R HA 0.080 4.419 4.340 -0.002 0.000 0.232 194 R C 2.532 178.727 176.300 -0.174 0.000 1.126 194 R CA 1.334 57.072 56.100 -0.604 0.000 0.963 194 R CB -0.355 29.247 30.300 -1.164 0.000 0.858 194 R HN 0.242 nan 8.270 nan 0.000 0.435 195 A N 1.226 124.004 122.820 -0.070 0.000 1.933 195 A HA -0.237 4.082 4.320 -0.002 0.000 0.218 195 A C 1.919 179.603 177.584 0.166 0.000 1.175 195 A CA 1.717 53.833 52.037 0.132 0.000 0.628 195 A CB -0.547 18.519 19.000 0.110 0.000 0.814 195 A HN 0.343 nan 8.150 nan 0.000 0.444 196 D N 0.066 120.511 120.400 0.076 0.000 2.097 196 D HA -0.154 4.485 4.640 -0.002 0.000 0.195 196 D C 1.915 178.275 176.300 0.099 0.000 0.989 196 D CA 1.587 55.629 54.000 0.069 0.000 0.827 196 D CB -0.113 40.709 40.800 0.037 0.000 0.966 196 D HN 0.500 nan 8.370 nan 0.000 0.456 197 I N 0.214 120.858 120.570 0.123 0.000 2.163 197 I HA -0.270 3.899 4.170 -0.002 0.000 0.243 197 I C 2.419 178.696 176.117 0.267 0.000 1.085 197 I CA 0.756 62.172 61.300 0.193 0.000 1.347 197 I CB -0.400 37.764 38.000 0.273 0.000 1.044 197 I HN 0.014 nan 8.210 nan 0.000 0.408 198 F N 1.229 121.287 119.950 0.181 0.000 2.161 198 F HA -0.241 4.285 4.527 -0.001 0.000 0.300 198 F C 2.240 178.080 175.800 0.066 0.000 1.089 198 F CA 1.235 59.319 58.000 0.140 0.000 1.282 198 F CB -0.366 38.736 39.000 0.169 0.000 1.010 198 F HN 0.091 nan 8.300 nan 0.000 0.485 199 C N 0.103 119.423 119.300 0.034 0.000 2.673 199 C HA 0.175 4.634 4.460 -0.002 0.000 0.274 199 C C 1.636 176.589 174.990 -0.062 0.000 1.276 199 C CA 0.916 59.880 59.018 -0.090 0.000 1.701 199 C CB -1.871 25.870 27.740 0.002 0.000 1.836 199 C HN 0.614 nan 8.230 nan 0.000 0.596 200 T N -3.297 111.242 114.554 -0.024 0.000 3.288 200 T HA 0.408 4.757 4.350 -0.002 0.000 0.293 200 T C -0.308 174.390 174.700 -0.003 0.000 1.008 200 T CA -0.119 61.976 62.100 -0.008 0.000 0.929 200 T CB 0.076 68.952 68.868 0.014 0.000 1.152 200 T HN 0.083 nan 8.240 nan 0.000 0.517 201 V N 0.110 120.007 119.914 -0.029 0.000 3.049 201 V HA 0.547 4.666 4.120 -0.002 0.000 0.309 201 V C 0.536 176.596 176.094 -0.057 0.000 1.148 201 V CA -0.632 61.655 62.300 -0.020 0.000 0.990 201 V CB 2.378 34.206 31.823 0.008 0.000 1.039 201 V HN 0.063 nan 8.190 nan 0.000 0.430 202 V N 2.659 122.554 119.914 -0.032 0.000 2.500 202 V HA 0.102 4.221 4.120 -0.002 0.000 0.243 202 V C 1.034 177.104 176.094 -0.040 0.000 1.039 202 V CA 1.121 63.398 62.300 -0.037 0.000 1.053 202 V CB -0.236 31.584 31.823 -0.005 0.000 0.695 202 V HN 0.954 nan 8.190 nan 0.000 0.463 203 E N 1.381 121.567 120.200 -0.023 0.000 2.480 203 E HA 0.239 4.589 4.350 -0.002 0.000 0.258 203 E C 0.485 177.068 176.600 -0.028 0.000 0.984 203 E CA 0.504 56.892 56.400 -0.021 0.000 0.930 203 E CB 0.487 30.178 29.700 -0.015 0.000 0.936 203 E HN 0.385 nan 8.360 nan 0.000 0.466 204 G N 2.644 111.429 108.800 -0.025 0.000 2.572 204 G HA2 0.380 4.339 3.960 -0.002 0.000 0.261 204 G HA3 0.380 4.339 3.960 -0.002 0.000 0.261 204 G C -0.693 174.194 174.900 -0.021 0.000 1.197 204 G CA -0.629 44.463 45.100 -0.014 0.000 0.870 204 G HN 0.475 nan 8.290 nan 0.000 0.548 205 V N 1.001 120.914 119.914 -0.000 0.000 2.481 205 V HA 0.484 4.603 4.120 -0.002 0.000 0.286 205 V C 0.458 176.478 176.094 -0.123 0.000 1.042 205 V CA -0.456 61.778 62.300 -0.110 0.000 0.928 205 V CB 1.222 32.935 31.823 -0.184 0.000 0.986 205 V HN 0.752 nan 8.190 nan 0.000 0.462 206 R N 1.864 122.273 120.500 -0.151 0.000 2.892 206 R HA 0.714 5.053 4.340 -0.002 0.000 0.265 206 R C 0.914 177.133 176.300 -0.135 0.000 1.025 206 R CA 0.046 56.074 56.100 -0.120 0.000 0.982 206 R CB 1.654 31.897 30.300 -0.095 0.000 1.185 206 R HN 0.991 nan 8.270 nan 0.000 0.484 207 G N 1.279 110.017 108.800 -0.103 0.000 2.652 207 G HA2 -0.372 3.587 3.960 -0.002 0.000 0.318 207 G HA3 -0.372 3.587 3.960 -0.002 0.000 0.318 207 G C 0.662 175.499 174.900 -0.105 0.000 1.295 207 G CA 0.595 45.640 45.100 -0.091 0.000 0.999 207 G HN 0.645 nan 8.290 nan 0.000 0.548 208 E N 0.334 120.476 120.200 -0.097 0.000 2.204 208 E HA -0.078 4.271 4.350 -0.002 0.000 0.194 208 E C 2.499 179.027 176.600 -0.121 0.000 0.989 208 E CA 1.064 57.411 56.400 -0.088 0.000 0.824 208 E CB -0.131 29.531 29.700 -0.064 0.000 0.756 208 E HN 0.566 nan 8.360 nan 0.000 0.477 209 R N 0.908 121.293 120.500 -0.192 0.000 2.075 209 R HA -0.068 4.271 4.340 -0.002 0.000 0.232 209 R C 2.259 178.333 176.300 -0.378 0.000 1.126 209 R CA 1.297 57.193 56.100 -0.340 0.000 0.963 209 R CB -0.165 29.833 30.300 -0.503 0.000 0.858 209 R HN 0.106 nan 8.270 nan 0.000 0.435 210 A N 1.276 123.920 122.820 -0.293 0.000 1.908 210 A HA -0.243 4.076 4.320 -0.002 0.000 0.218 210 A C 2.097 179.618 177.584 -0.106 0.000 1.181 210 A CA 1.848 53.750 52.037 -0.225 0.000 0.627 210 A CB -0.526 18.366 19.000 -0.180 0.000 0.818 210 A HN 0.424 nan 8.150 nan 0.000 0.445 211 K N -0.554 119.796 120.400 -0.083 0.000 2.062 211 K HA 0.007 4.326 4.320 -0.002 0.000 0.205 211 K C 2.166 178.771 176.600 0.009 0.000 1.051 211 K CA 1.069 57.331 56.287 -0.042 0.000 0.941 211 K CB -0.322 32.141 32.500 -0.061 0.000 0.719 211 K HN 0.349 nan 8.250 nan 0.000 0.440 212 A N 0.355 123.189 122.820 0.024 0.000 1.933 212 A HA -0.155 4.164 4.320 -0.002 0.000 0.218 212 A C 1.373 179.104 177.584 0.245 0.000 1.175 212 A CA 1.207 53.310 52.037 0.110 0.000 0.628 212 A CB -0.802 18.270 19.000 0.119 0.000 0.814 212 A HN 0.532 nan 8.150 nan 0.000 0.444 213 W N -0.797 120.446 121.300 -0.095 0.000 3.180 213 W HA 0.265 4.924 4.660 -0.002 0.000 0.254 213 W C 0.778 177.229 176.519 -0.113 0.000 1.318 213 W CA 0.215 57.492 57.345 -0.113 0.000 1.608 213 W CB -0.383 28.981 29.460 -0.160 0.000 1.124 213 W HN 0.444 nan 8.180 nan 0.000 0.694 214 R N -1.512 119.052 120.500 0.107 0.000 3.908 214 R HA -0.233 4.106 4.340 -0.002 0.000 0.381 214 R C 0.895 177.218 176.300 0.038 0.000 1.135 214 R CA 0.858 56.984 56.100 0.045 0.000 0.990 214 R CB -2.177 28.137 30.300 0.023 0.000 1.557 214 R HN 0.233 nan 8.270 nan 0.000 0.535 215 L N 0.109 121.340 121.223 0.013 0.000 2.270 215 L HA 0.079 4.418 4.340 -0.002 0.000 0.210 215 L C 1.229 178.168 176.870 0.116 0.000 1.104 215 L CA 0.923 55.767 54.840 0.007 0.000 0.804 215 L CB 0.182 42.072 42.059 -0.282 0.000 0.937 215 L HN 0.189 nan 8.230 nan 0.000 0.450 216 V N -6.086 113.855 119.914 0.045 0.000 3.130 216 V HA 0.404 4.524 4.120 -0.002 0.000 0.310 216 V C -0.148 175.946 176.094 0.001 0.000 1.158 216 V CA -0.837 61.495 62.300 0.055 0.000 1.029 216 V CB 2.077 33.921 31.823 0.035 0.000 1.057 216 V HN -0.090 nan 8.190 nan 0.000 0.436 217 D N 0.264 120.655 120.400 -0.015 0.000 2.216 217 D HA 0.180 4.819 4.640 -0.002 0.000 0.208 217 D C 0.256 176.421 176.300 -0.224 0.000 0.960 217 D CA 1.291 55.250 54.000 -0.068 0.000 0.861 217 D CB 0.885 41.696 40.800 0.019 0.000 0.985 217 D HN 0.718 nan 8.370 nan 0.000 0.493 218 E N 0.058 120.009 120.200 -0.416 0.000 2.390 218 E HA 0.357 4.706 4.350 -0.002 0.000 0.277 218 E C -1.459 174.938 176.600 -0.338 0.000 0.939 218 E CA -0.905 55.166 56.400 -0.548 0.000 0.769 218 E CB 2.456 31.424 29.700 -1.219 0.000 1.251 218 E HN -0.143 nan 8.360 nan 0.000 0.450 219 V N 0.446 120.247 119.914 -0.187 0.000 2.656 219 V HA 0.934 5.053 4.120 -0.002 0.000 0.307 219 V C -1.043 175.057 176.094 0.010 0.000 1.051 219 V CA -0.702 61.569 62.300 -0.048 0.000 0.893 219 V CB 1.711 33.506 31.823 -0.047 0.000 0.999 219 V HN 0.430 nan 8.190 nan 0.000 0.426 220 V N 3.637 123.633 119.914 0.136 0.000 2.686 220 V HA 0.520 4.639 4.120 -0.002 0.000 0.306 220 V C -0.057 176.141 176.094 0.174 0.000 1.065 220 V CA -0.985 61.425 62.300 0.183 0.000 0.894 220 V CB 1.949 33.959 31.823 0.311 0.000 1.004 220 V HN 0.941 nan 8.190 nan 0.000 0.424 221 K N 4.070 124.533 120.400 0.105 0.000 2.469 221 K HA 0.143 4.462 4.320 -0.002 0.000 0.274 221 K C -1.649 175.013 176.600 0.104 0.000 0.983 221 K CA -1.427 54.901 56.287 0.069 0.000 0.974 221 K CB 0.898 33.426 32.500 0.048 0.000 0.913 221 K HN 0.298 nan 8.250 nan 0.000 0.493 222 P HA -0.145 nan 4.420 nan 0.000 0.216 222 P C 0.552 177.915 177.300 0.104 0.000 1.153 222 P CA 1.343 64.469 63.100 0.043 0.000 0.858 222 P CB 0.242 31.938 31.700 -0.006 0.000 0.789 223 N N -1.132 117.615 118.700 0.078 0.000 2.453 223 N HA -0.115 4.624 4.740 -0.002 0.000 0.183 223 N C 1.348 176.913 175.510 0.093 0.000 1.041 223 N CA 1.000 54.095 53.050 0.075 0.000 0.900 223 N CB -0.354 38.163 38.487 0.049 0.000 0.961 223 N HN 0.255 nan 8.380 nan 0.000 0.443 224 Q N -1.435 118.436 119.800 0.118 0.000 2.281 224 Q HA 0.265 4.604 4.340 -0.002 0.000 0.215 224 Q C 1.103 177.190 176.000 0.146 0.000 0.867 224 Q CA -0.279 55.588 55.803 0.107 0.000 0.940 224 Q CB -0.014 28.775 28.738 0.086 0.000 1.111 224 Q HN 0.226 nan 8.270 nan 0.000 0.513 225 F N 1.570 121.546 119.950 0.044 0.000 2.075 225 F HA -0.234 4.292 4.527 -0.001 0.000 0.297 225 F C 1.273 177.105 175.800 0.053 0.000 1.113 225 F CA 1.801 59.838 58.000 0.061 0.000 1.218 225 F CB 0.081 39.116 39.000 0.057 0.000 0.984 225 F HN 0.060 nan 8.300 nan 0.000 0.472 226 D N -0.155 120.318 120.400 0.122 0.000 2.104 226 D HA -0.254 4.385 4.640 -0.002 0.000 0.194 226 D C 2.188 178.441 176.300 -0.079 0.000 0.994 226 D CA 1.608 55.608 54.000 -0.000 0.000 0.830 226 D CB -0.703 40.145 40.800 0.079 0.000 0.959 226 D HN 0.499 nan 8.370 nan 0.000 0.452 227 Q N 0.342 120.124 119.800 -0.029 0.000 2.084 227 Q HA -0.140 4.199 4.340 -0.002 0.000 0.202 227 Q C 1.999 177.955 176.000 -0.073 0.000 0.978 227 Q CA 1.722 57.503 55.803 -0.037 0.000 0.844 227 Q CB -0.080 28.656 28.738 -0.003 0.000 0.898 227 Q HN 0.204 nan 8.270 nan 0.000 0.426 228 A N 0.916 123.687 122.820 -0.082 0.000 1.902 228 A HA -0.150 4.169 4.320 -0.002 0.000 0.217 228 A C 1.994 179.454 177.584 -0.206 0.000 1.181 228 A CA 1.212 53.203 52.037 -0.077 0.000 0.623 228 A CB -0.528 18.477 19.000 0.008 0.000 0.818 228 A HN 0.476 nan 8.150 nan 0.000 0.443 229 I N -0.219 120.130 120.570 -0.368 0.000 2.142 229 I HA -0.236 3.933 4.170 -0.002 0.000 0.240 229 I C 2.668 178.605 176.117 -0.300 0.000 1.078 229 I CA 2.116 63.138 61.300 -0.464 0.000 1.343 229 I CB -1.340 36.352 38.000 -0.514 0.000 1.046 229 I HN 0.495 nan 8.210 nan 0.000 0.405 230 Q N 1.262 120.942 119.800 -0.200 0.000 2.084 230 Q HA -0.100 4.239 4.340 -0.002 0.000 0.202 230 Q C 2.189 178.115 176.000 -0.124 0.000 0.978 230 Q CA 2.251 57.972 55.803 -0.137 0.000 0.844 230 Q CB -0.295 28.389 28.738 -0.089 0.000 0.898 230 Q HN 0.439 nan 8.270 nan 0.000 0.426 231 A N 0.152 122.905 122.820 -0.111 0.000 1.930 231 A HA -0.151 4.168 4.320 -0.002 0.000 0.217 231 A C 2.136 179.660 177.584 -0.100 0.000 1.175 231 A CA 1.658 53.645 52.037 -0.082 0.000 0.627 231 A CB -0.548 18.422 19.000 -0.050 0.000 0.815 231 A HN 0.325 nan 8.150 nan 0.000 0.443 232 R N 0.209 120.615 120.500 -0.157 0.000 2.092 232 R HA 0.049 4.388 4.340 -0.002 0.000 0.231 232 R C 2.131 178.321 176.300 -0.183 0.000 1.119 232 R CA 1.729 57.718 56.100 -0.185 0.000 0.970 232 R CB -0.933 29.136 30.300 -0.386 0.000 0.864 232 R HN 0.379 nan 8.270 nan 0.000 0.440 233 A N 0.536 123.235 122.820 -0.201 0.000 1.908 233 A HA -0.133 4.186 4.320 -0.002 0.000 0.218 233 A C 2.231 179.743 177.584 -0.120 0.000 1.181 233 A CA 1.618 53.557 52.037 -0.162 0.000 0.627 233 A CB -0.660 18.248 19.000 -0.153 0.000 0.818 233 A HN 0.361 nan 8.150 nan 0.000 0.445 234 L N -1.045 120.117 121.223 -0.101 0.000 2.141 234 L HA -0.171 4.168 4.340 -0.002 0.000 0.209 234 L C 2.564 179.393 176.870 -0.068 0.000 1.094 234 L CA 1.407 56.200 54.840 -0.078 0.000 0.763 234 L CB -0.556 41.464 42.059 -0.064 0.000 0.908 234 L HN 0.483 nan 8.230 nan 0.000 0.437 235 E N 0.267 120.427 120.200 -0.066 0.000 2.077 235 E HA -0.210 4.139 4.350 -0.002 0.000 0.193 235 E C 2.307 178.876 176.600 -0.052 0.000 0.989 235 E CA 1.048 57.419 56.400 -0.049 0.000 0.800 235 E CB -0.087 29.592 29.700 -0.036 0.000 0.746 235 E HN 0.443 nan 8.360 nan 0.000 0.452 236 L N 0.362 121.543 121.223 -0.069 0.000 2.201 236 L HA -0.114 4.225 4.340 -0.002 0.000 0.212 236 L C 2.465 179.289 176.870 -0.077 0.000 1.105 236 L CA 0.658 55.457 54.840 -0.070 0.000 0.775 236 L CB -0.321 41.684 42.059 -0.089 0.000 0.913 236 L HN 0.147 nan 8.230 nan 0.000 0.440 237 A N 0.132 122.901 122.820 -0.084 0.000 1.930 237 A HA -0.111 4.208 4.320 -0.002 0.000 0.217 237 A C 2.506 180.048 177.584 -0.069 0.000 1.175 237 A CA 1.427 53.413 52.037 -0.086 0.000 0.627 237 A CB -0.556 18.392 19.000 -0.086 0.000 0.815 237 A HN 0.370 nan 8.150 nan 0.000 0.443 238 A N -0.544 122.242 122.820 -0.057 0.000 2.125 238 A HA -0.181 4.138 4.320 -0.002 0.000 0.219 238 A C 1.953 179.513 177.584 -0.039 0.000 1.156 238 A CA 1.454 53.464 52.037 -0.045 0.000 0.671 238 A CB -0.496 18.483 19.000 -0.036 0.000 0.794 238 A HN 0.686 nan 8.150 nan 0.000 0.459 239 Q N -0.316 119.460 119.800 -0.040 0.000 2.436 239 Q HA 0.027 4.366 4.340 -0.002 0.000 0.209 239 Q C 0.976 176.956 176.000 -0.033 0.000 0.965 239 Q CA 0.490 56.274 55.803 -0.032 0.000 0.910 239 Q CB -0.024 28.695 28.738 -0.031 0.000 0.980 239 Q HN 0.533 nan 8.270 nan 0.000 0.491 240 S N 0.996 116.669 115.700 -0.045 0.000 2.632 240 S HA 0.051 4.520 4.470 -0.002 0.000 0.271 240 S C 0.216 174.794 174.600 -0.036 0.000 1.260 240 S CA -0.556 57.617 58.200 -0.045 0.000 1.010 240 S CB 0.795 63.954 63.200 -0.068 0.000 0.965 240 S HN 0.320 nan 8.310 nan 0.000 0.534 241 D N 1.561 121.946 120.400 -0.025 0.000 2.431 241 D HA 0.102 4.741 4.640 -0.002 0.000 0.213 241 D C 0.203 176.485 176.300 -0.030 0.000 1.130 241 D CA -0.266 53.724 54.000 -0.017 0.000 0.834 241 D CB -0.106 40.699 40.800 0.009 0.000 0.985 241 D HN 0.324 nan 8.370 nan 0.000 0.504 242 R N 1.639 122.104 120.500 -0.058 0.000 2.734 242 R HA 0.234 4.573 4.340 -0.002 0.000 0.266 242 R C -2.056 174.145 176.300 -0.165 0.000 1.044 242 R CA -0.953 55.079 56.100 -0.113 0.000 1.128 242 R CB -0.087 30.124 30.300 -0.149 0.000 1.010 242 R HN 0.138 nan 8.270 nan 0.000 0.461 243 P HA -0.018 nan 4.420 nan 0.000 0.271 243 P C -0.376 176.785 177.300 -0.233 0.000 1.216 243 P CA 0.156 63.128 63.100 -0.213 0.000 0.776 243 P CB 1.012 32.546 31.700 -0.277 0.000 0.881 244 A N 2.883 125.581 122.820 -0.203 0.000 2.014 244 A HA -0.075 4.244 4.320 -0.002 0.000 0.218 244 A C 0.687 177.931 177.584 -0.566 0.000 1.163 244 A CA 1.202 53.031 52.037 -0.345 0.000 0.652 244 A CB -0.609 18.201 19.000 -0.317 0.000 0.808 244 A HN 0.613 nan 8.150 nan 0.000 0.449 245 H N -1.129 117.881 119.070 -0.101 0.000 3.013 245 H HA 0.646 5.201 4.556 -0.001 0.000 0.326 245 H C -0.831 174.433 175.328 -0.105 0.000 0.973 245 H CA 0.141 56.135 56.048 -0.090 0.000 1.369 245 H CB 1.150 30.881 29.762 -0.051 0.000 1.598 245 H HN 0.382 nan 8.280 nan 0.000 0.518 246 A N 3.119 125.906 122.820 -0.056 0.000 2.565 246 A HA 0.341 4.660 4.320 -0.002 0.000 0.298 246 A C -1.083 176.433 177.584 -0.115 0.000 1.062 246 A CA -0.897 51.092 52.037 -0.080 0.000 0.723 246 A CB 1.804 20.649 19.000 -0.259 0.000 1.282 246 A HN 0.418 nan 8.150 nan 0.000 0.400 247 Q N 0.781 120.564 119.800 -0.030 0.000 2.259 247 Q HA 0.505 4.844 4.340 -0.002 0.000 0.249 247 Q C 0.762 176.749 176.000 -0.021 0.000 0.914 247 Q CA 0.333 56.103 55.803 -0.054 0.000 0.904 247 Q CB 1.574 30.296 28.738 -0.027 0.000 1.213 247 Q HN 1.006 nan 8.270 nan 0.000 0.428 248 G N 0.220 108.963 108.800 -0.095 0.000 2.616 248 G HA2 0.370 4.329 3.960 -0.002 0.000 0.268 248 G HA3 0.370 4.329 3.960 -0.002 0.000 0.268 248 G C -0.729 174.215 174.900 0.073 0.000 1.213 248 G CA -0.428 44.666 45.100 -0.010 0.000 0.926 248 G HN 0.367 nan 8.290 nan 0.000 0.523 249 V N 2.293 122.309 119.914 0.170 0.000 2.313 249 V HA 0.259 4.378 4.120 -0.002 0.000 0.278 249 V C -2.025 174.128 176.094 0.100 0.000 1.017 249 V CA -1.261 61.071 62.300 0.053 0.000 0.823 249 V CB 1.624 33.392 31.823 -0.091 0.000 1.010 249 V HN 0.502 nan 8.190 nan 0.000 0.443 250 P HA 0.155 nan 4.420 nan 0.000 0.267 250 P C -0.339 176.989 177.300 0.046 0.000 1.205 250 P CA 0.042 63.163 63.100 0.035 0.000 0.765 250 P CB 0.436 32.141 31.700 0.008 0.000 0.828 251 L N 3.672 124.924 121.223 0.049 0.000 2.356 251 L HA 0.158 4.497 4.340 -0.002 0.000 0.282 251 L C 1.183 178.065 176.870 0.020 0.000 1.132 251 L CA -0.405 54.441 54.840 0.010 0.000 0.923 251 L CB -0.570 41.484 42.059 -0.009 0.000 1.278 251 L HN 0.415 nan 8.230 nan 0.000 0.436 252 T N 0.051 114.617 114.554 0.020 0.000 2.856 252 T HA 0.140 4.489 4.350 -0.002 0.000 0.306 252 T C 0.408 175.128 174.700 0.033 0.000 1.062 252 T CA -0.747 61.369 62.100 0.027 0.000 1.083 252 T CB 1.145 70.031 68.868 0.029 0.000 0.984 252 T HN 0.524 nan 8.240 nan 0.000 0.542 253 R N 1.015 121.538 120.500 0.039 0.000 2.570 253 R HA 0.230 4.569 4.340 -0.002 0.000 0.277 253 R C -0.151 176.182 176.300 0.056 0.000 1.039 253 R CA -0.392 55.738 56.100 0.049 0.000 1.065 253 R CB -0.009 30.319 30.300 0.047 0.000 0.964 253 R HN 0.685 nan 8.270 nan 0.000 0.428 254 I N 4.317 124.931 120.570 0.074 0.000 2.471 254 I HA 0.014 4.183 4.170 -0.002 0.000 0.286 254 I C 0.441 176.614 176.117 0.094 0.000 1.079 254 I CA 0.164 61.523 61.300 0.099 0.000 1.398 254 I CB 1.008 39.094 38.000 0.144 0.000 1.403 254 I HN 0.468 nan 8.210 nan 0.000 0.530 255 E N 7.668 127.919 120.200 0.087 0.000 2.180 255 E HA 0.281 4.630 4.350 -0.002 0.000 0.283 255 E C -0.401 176.205 176.600 0.010 0.000 1.061 255 E CA -0.161 56.267 56.400 0.046 0.000 0.861 255 E CB 1.403 31.129 29.700 0.044 0.000 1.056 255 E HN 0.443 nan 8.360 nan 0.000 0.407 256 R N 1.889 122.342 120.500 -0.078 0.000 2.574 256 R HA 0.303 4.642 4.340 -0.002 0.000 0.288 256 R C -1.128 175.048 176.300 -0.206 0.000 1.004 256 R CA -0.410 55.523 56.100 -0.277 0.000 0.895 256 R CB 1.624 31.709 30.300 -0.360 0.000 1.191 256 R HN 0.273 nan 8.270 nan 0.000 0.444 257 T N 2.988 117.401 114.554 -0.235 0.000 2.758 257 T HA 0.227 4.576 4.350 -0.002 0.000 0.285 257 T C -0.887 173.715 174.700 -0.162 0.000 0.981 257 T CA -0.570 61.442 62.100 -0.147 0.000 0.965 257 T CB 0.935 69.743 68.868 -0.101 0.000 0.927 257 T HN 0.391 nan 8.240 nan 0.000 0.448 258 D N 3.558 123.890 120.400 -0.112 0.000 2.277 258 D HA 0.302 4.941 4.640 -0.002 0.000 0.249 258 D C 0.393 176.654 176.300 -0.065 0.000 1.134 258 D CA -0.199 53.746 54.000 -0.091 0.000 0.863 258 D CB 1.327 42.092 40.800 -0.057 0.000 1.143 258 D HN 0.389 nan 8.370 nan 0.000 0.458 259 R N 1.298 121.761 120.500 -0.063 0.000 2.873 259 R HA 0.184 4.523 4.340 -0.002 0.000 0.264 259 R C 1.146 177.428 176.300 -0.031 0.000 1.026 259 R CA -0.868 55.206 56.100 -0.044 0.000 1.002 259 R CB 1.532 31.804 30.300 -0.047 0.000 1.174 259 R HN 0.313 nan 8.270 nan 0.000 0.488 260 E N 1.578 121.766 120.200 -0.021 0.000 2.160 260 E HA -0.202 4.148 4.350 -0.002 0.000 0.195 260 E C 0.242 176.834 176.600 -0.013 0.000 0.991 260 E CA 1.709 58.101 56.400 -0.012 0.000 0.810 260 E CB 0.170 29.865 29.700 -0.007 0.000 0.742 260 E HN 0.674 nan 8.360 nan 0.000 0.466 261 D N -1.355 119.033 120.400 -0.020 0.000 2.501 261 D HA 0.241 4.881 4.640 -0.002 0.000 0.226 261 D C 0.697 176.972 176.300 -0.042 0.000 1.198 261 D CA 0.375 54.362 54.000 -0.022 0.000 0.830 261 D CB 0.456 41.246 40.800 -0.016 0.000 1.014 261 D HN 0.194 nan 8.370 nan 0.000 0.496 262 G N -0.293 108.475 108.800 -0.054 0.000 2.356 262 G HA2 0.305 4.264 3.960 -0.002 0.000 0.266 262 G HA3 0.305 4.264 3.960 -0.002 0.000 0.266 262 G C -2.091 172.747 174.900 -0.102 0.000 1.312 262 G CA -0.887 44.161 45.100 -0.087 0.000 0.922 262 G HN 0.143 nan 8.290 nan 0.000 0.480 263 L N 0.041 121.187 121.223 -0.128 0.000 2.422 263 L HA 0.699 5.038 4.340 -0.002 0.000 0.264 263 L C -0.545 176.220 176.870 -0.176 0.000 0.984 263 L CA -0.779 53.950 54.840 -0.184 0.000 0.819 263 L CB 2.717 44.673 42.059 -0.172 0.000 1.330 263 L HN 0.553 nan 8.230 nan 0.000 0.410 264 T N 1.228 115.623 114.554 -0.266 0.000 2.786 264 T HA 0.650 4.999 4.350 -0.002 0.000 0.283 264 T C -1.149 173.385 174.700 -0.276 0.000 0.992 264 T CA -0.382 61.621 62.100 -0.160 0.000 0.954 264 T CB 0.577 69.388 68.868 -0.095 0.000 0.934 264 T HN 0.192 nan 8.240 nan 0.000 0.440 265 Y N 0.664 120.967 120.300 0.005 0.000 2.598 265 Y HA 0.477 5.026 4.550 -0.002 0.000 0.340 265 Y C 1.529 177.456 175.900 0.045 0.000 1.038 265 Y CA -1.480 56.633 58.100 0.022 0.000 1.100 265 Y CB 1.294 39.767 38.460 0.021 0.000 1.281 265 Y HN 0.406 nan 8.280 nan 0.000 0.488 266 K N -0.052 120.486 120.400 0.230 0.000 2.074 266 K HA -0.173 4.146 4.320 -0.002 0.000 0.209 266 K C 1.228 177.948 176.600 0.201 0.000 1.048 266 K CA 2.293 58.684 56.287 0.173 0.000 0.926 266 K CB -0.293 32.296 32.500 0.148 0.000 0.713 266 K HN 0.919 nan 8.250 nan 0.000 0.444 267 T N -1.454 113.238 114.554 0.230 0.000 3.105 267 T HA 0.238 4.587 4.350 -0.002 0.000 0.253 267 T C 0.046 174.918 174.700 0.287 0.000 1.047 267 T CA -0.536 61.742 62.100 0.297 0.000 0.944 267 T CB 0.304 69.379 68.868 0.345 0.000 1.016 267 T HN 0.094 nan 8.240 nan 0.000 0.544 268 L N 0.842 122.201 121.223 0.227 0.000 2.611 268 L HA 0.636 4.975 4.340 -0.002 0.000 0.260 268 L C -2.253 174.742 176.870 0.208 0.000 0.924 268 L CA -0.619 54.331 54.840 0.182 0.000 0.901 268 L CB 2.375 44.478 42.059 0.073 0.000 1.369 268 L HN 0.137 nan 8.230 nan 0.000 0.415 269 D N 2.863 123.332 120.400 0.115 0.000 2.192 269 D HA 0.686 5.325 4.640 -0.002 0.000 0.246 269 D C -1.446 174.837 176.300 -0.028 0.000 1.042 269 D CA -0.287 53.751 54.000 0.062 0.000 0.847 269 D CB 1.975 42.795 40.800 0.033 0.000 1.186 269 D HN 0.363 nan 8.370 nan 0.000 0.461 270 V N 3.251 123.100 119.914 -0.108 0.000 2.444 270 V HA 0.462 4.581 4.120 -0.002 0.000 0.294 270 V C -0.137 175.843 176.094 -0.190 0.000 1.022 270 V CA -0.619 61.494 62.300 -0.311 0.000 0.850 270 V CB 1.689 33.189 31.823 -0.538 0.000 0.992 270 V HN 0.683 nan 8.190 nan 0.000 0.426 271 T N 6.340 120.805 114.554 -0.148 0.000 2.812 271 T HA 0.657 5.007 4.350 -0.002 0.000 0.282 271 T C -0.331 174.330 174.700 -0.066 0.000 0.990 271 T CA -0.184 61.868 62.100 -0.079 0.000 0.960 271 T CB 1.134 69.984 68.868 -0.031 0.000 0.948 271 T HN 0.388 nan 8.240 nan 0.000 0.438 272 I N 2.852 123.393 120.570 -0.048 0.000 2.354 272 I HA 0.316 4.485 4.170 -0.002 0.000 0.292 272 I C -0.094 176.025 176.117 0.002 0.000 0.989 272 I CA -0.713 60.576 61.300 -0.019 0.000 1.188 272 I CB 1.340 39.331 38.000 -0.016 0.000 1.342 272 I HN 0.477 nan 8.210 nan 0.000 0.457 273 D N 6.483 126.893 120.400 0.017 0.000 2.412 273 D HA 0.227 4.866 4.640 -0.002 0.000 0.224 273 D C 0.886 177.199 176.300 0.021 0.000 1.093 273 D CA -0.312 53.699 54.000 0.018 0.000 0.850 273 D CB 1.088 41.901 40.800 0.022 0.000 1.046 273 D HN 0.455 nan 8.370 nan 0.000 0.507 274 R N 2.336 122.847 120.500 0.018 0.000 2.153 274 R HA 0.006 4.345 4.340 -0.002 0.000 0.218 274 R C 1.844 178.155 176.300 0.018 0.000 1.072 274 R CA 0.932 57.045 56.100 0.021 0.000 0.990 274 R CB 0.162 30.473 30.300 0.019 0.000 0.889 274 R HN 0.418 nan 8.270 nan 0.000 0.452 275 A N 1.671 124.499 122.820 0.014 0.000 1.873 275 A HA -0.141 4.178 4.320 -0.002 0.000 0.215 275 A C 1.770 179.360 177.584 0.009 0.000 1.186 275 A CA 1.225 53.269 52.037 0.011 0.000 0.616 275 A CB -0.107 18.899 19.000 0.010 0.000 0.823 275 A HN 0.155 nan 8.150 nan 0.000 0.442 276 K N -1.258 119.148 120.400 0.010 0.000 2.418 276 K HA 0.091 4.410 4.320 -0.002 0.000 0.195 276 K C -0.230 176.370 176.600 0.000 0.000 1.035 276 K CA 0.197 56.486 56.287 0.003 0.000 1.003 276 K CB 0.115 32.618 32.500 0.006 0.000 0.793 276 K HN 0.389 nan 8.250 nan 0.000 0.494 277 R N 0.604 121.111 120.500 0.012 0.000 3.332 277 R HA -0.163 4.177 4.340 -0.002 0.000 0.263 277 R C -0.904 175.413 176.300 0.029 0.000 1.053 277 R CA 0.555 56.667 56.100 0.021 0.000 0.705 277 R CB -2.268 28.037 30.300 0.008 0.000 1.166 277 R HN 0.237 nan 8.270 nan 0.000 0.427 278 I N 0.059 120.655 120.570 0.042 0.000 2.498 278 I HA 0.525 4.694 4.170 -0.002 0.000 0.290 278 I C 0.185 176.360 176.117 0.098 0.000 1.032 278 I CA -0.831 60.508 61.300 0.065 0.000 1.073 278 I CB 2.146 40.165 38.000 0.032 0.000 1.251 278 I HN 0.173 nan 8.210 nan 0.000 0.426 279 A N 3.980 126.906 122.820 0.177 0.000 2.288 279 A HA 0.714 5.033 4.320 -0.002 0.000 0.320 279 A C -0.277 177.382 177.584 0.124 0.000 1.217 279 A CA -0.390 51.701 52.037 0.089 0.000 0.840 279 A CB 0.609 19.624 19.000 0.025 0.000 1.179 279 A HN 0.641 nan 8.150 nan 0.000 0.504 280 T N 3.088 117.671 114.554 0.048 0.000 2.743 280 T HA 0.454 4.803 4.350 -0.002 0.000 0.292 280 T C -0.658 174.095 174.700 0.087 0.000 0.972 280 T CA 0.304 62.483 62.100 0.131 0.000 0.967 280 T CB -0.222 68.709 68.868 0.106 0.000 0.926 280 T HN 0.366 nan 8.240 nan 0.000 0.459 281 F N 2.256 122.236 119.950 0.050 0.000 2.391 281 F HA 0.313 4.839 4.527 -0.002 0.000 0.359 281 F C 1.104 176.933 175.800 0.048 0.000 1.122 281 F CA -0.763 57.276 58.000 0.063 0.000 1.120 281 F CB 1.100 40.218 39.000 0.196 0.000 1.142 281 F HN 0.340 nan 8.300 nan 0.000 0.483 282 T N 3.854 118.483 114.554 0.125 0.000 2.874 282 T HA 0.530 4.879 4.350 -0.002 0.000 0.321 282 T C 0.004 174.680 174.700 -0.039 0.000 1.075 282 T CA -0.557 61.563 62.100 0.033 0.000 0.966 282 T CB 0.703 69.594 68.868 0.038 0.000 1.001 282 T HN 0.636 nan 8.240 nan 0.000 0.476 283 A N 4.235 126.914 122.820 -0.236 0.000 2.363 283 A HA 0.580 4.899 4.320 -0.002 0.000 0.270 283 A C 0.125 177.604 177.584 -0.174 0.000 1.121 283 A CA -0.530 51.295 52.037 -0.353 0.000 0.800 283 A CB 0.408 18.765 19.000 -1.072 0.000 1.052 283 A HN 0.744 nan 8.150 nan 0.000 0.493 284 K N 1.816 122.310 120.400 0.157 0.000 2.323 284 K HA 0.570 4.889 4.320 -0.002 0.000 0.259 284 K C 0.068 176.848 176.600 0.299 0.000 0.947 284 K CA -0.413 56.012 56.287 0.231 0.000 0.819 284 K CB 2.097 34.703 32.500 0.176 0.000 1.109 284 K HN 0.824 nan 8.250 nan 0.000 0.429 285 A N 4.017 126.830 122.820 -0.011 0.000 2.366 285 A HA 0.274 4.593 4.320 -0.002 0.000 0.250 285 A C -2.218 174.920 177.584 -0.744 0.000 1.099 285 A CA -0.971 50.670 52.037 -0.660 0.000 0.794 285 A CB -0.528 18.121 19.000 -0.585 0.000 1.056 285 A HN 0.421 nan 8.150 nan 0.000 0.499 286 P HA 0.066 nan 4.420 nan 0.000 0.265 286 P C 0.093 177.214 177.300 -0.298 0.000 1.193 286 P CA 0.287 62.882 63.100 -0.842 0.000 0.765 286 P CB 0.378 31.605 31.700 -0.788 0.000 0.823 287 Q N 0.681 120.402 119.800 -0.131 0.000 2.167 287 Q HA -0.050 4.289 4.340 -0.002 0.000 0.202 287 Q C 0.806 176.768 176.000 -0.064 0.000 0.970 287 Q CA 1.283 57.064 55.803 -0.036 0.000 0.855 287 Q CB -0.111 28.630 28.738 0.005 0.000 0.911 287 Q HN 0.637 nan 8.270 nan 0.000 0.438 288 T N -3.352 111.058 114.554 -0.240 0.000 2.887 288 T HA 0.297 4.646 4.350 -0.002 0.000 0.292 288 T C -0.677 173.521 174.700 -0.837 0.000 1.087 288 T CA -1.058 60.764 62.100 -0.463 0.000 1.009 288 T CB 1.950 70.696 68.868 -0.202 0.000 1.203 288 T HN 0.033 nan 8.240 nan 0.000 0.518 289 E N 2.574 122.207 120.200 -0.946 0.000 2.493 289 E HA 0.121 4.470 4.350 -0.002 0.000 0.255 289 E C -1.806 174.654 176.600 -0.234 0.000 0.999 289 E CA -1.292 54.761 56.400 -0.579 0.000 0.934 289 E CB 0.323 29.884 29.700 -0.231 0.000 0.940 289 E HN 0.392 nan 8.360 nan 0.000 0.473 290 P HA 0.150 nan 4.420 nan 0.000 0.274 290 P C -2.567 174.796 177.300 0.106 0.000 1.237 290 P CA -1.340 61.799 63.100 0.065 0.000 0.793 290 P CB 0.021 31.812 31.700 0.152 0.000 0.977 291 P HA 0.066 nan 4.420 nan 0.000 0.268 291 P C 0.215 177.569 177.300 0.090 0.000 1.204 291 P CA 0.019 63.159 63.100 0.067 0.000 0.768 291 P CB 0.591 32.288 31.700 -0.006 0.000 0.842 292 A N 3.090 125.949 122.820 0.064 0.000 2.030 292 A HA 0.062 4.381 4.320 -0.002 0.000 0.215 292 A C 1.173 178.838 177.584 0.135 0.000 1.164 292 A CA 0.758 52.856 52.037 0.102 0.000 0.697 292 A CB -0.542 18.500 19.000 0.071 0.000 0.827 292 A HN 0.664 nan 8.150 nan 0.000 0.457 293 S N -1.080 114.632 115.700 0.021 0.000 2.578 293 S HA 0.462 4.931 4.470 -0.002 0.000 0.283 293 S C 0.818 175.256 174.600 -0.270 0.000 1.195 293 S CA -0.392 57.779 58.200 -0.049 0.000 1.050 293 S CB 1.124 64.293 63.200 -0.052 0.000 1.012 293 S HN 0.222 nan 8.310 nan 0.000 0.511 294 I N 1.897 122.178 120.570 -0.481 0.000 2.315 294 I HA -0.143 4.026 4.170 -0.002 0.000 0.248 294 I C 2.119 177.971 176.117 -0.442 0.000 1.117 294 I CA 1.768 62.661 61.300 -0.677 0.000 1.404 294 I CB -0.629 36.890 38.000 -0.802 0.000 1.071 294 I HN 0.943 nan 8.210 nan 0.000 0.419 295 D N 0.752 120.989 120.400 -0.273 0.000 2.117 295 D HA -0.204 4.435 4.640 -0.002 0.000 0.197 295 D C 1.951 178.134 176.300 -0.194 0.000 0.987 295 D CA 1.433 55.318 54.000 -0.191 0.000 0.829 295 D CB -0.561 40.170 40.800 -0.113 0.000 0.961 295 D HN 0.416 nan 8.370 nan 0.000 0.460 296 A N 0.831 123.538 122.820 -0.188 0.000 1.968 296 A HA 0.019 4.338 4.320 -0.002 0.000 0.217 296 A C 2.537 179.975 177.584 -0.244 0.000 1.169 296 A CA 0.594 52.534 52.037 -0.162 0.000 0.638 296 A CB -0.671 18.264 19.000 -0.108 0.000 0.812 296 A HN 0.239 nan 8.150 nan 0.000 0.446 297 I N -0.545 119.786 120.570 -0.399 0.000 2.179 297 I HA -0.222 3.947 4.170 -0.002 0.000 0.242 297 I C 2.349 178.172 176.117 -0.491 0.000 1.088 297 I CA 1.202 62.077 61.300 -0.708 0.000 1.357 297 I CB -0.245 37.160 38.000 -0.992 0.000 1.051 297 I HN 0.153 nan 8.210 nan 0.000 0.409 298 V N 0.865 120.530 119.914 -0.416 0.000 2.358 298 V HA -0.275 3.844 4.120 -0.002 0.000 0.246 298 V C 2.654 178.560 176.094 -0.314 0.000 1.047 298 V CA 1.917 63.959 62.300 -0.431 0.000 1.035 298 V CB -0.926 30.695 31.823 -0.337 0.000 0.658 298 V HN 0.500 nan 8.190 nan 0.000 0.452 299 A N -0.083 122.612 122.820 -0.209 0.000 1.972 299 A HA -0.104 4.215 4.320 -0.002 0.000 0.219 299 A C 2.392 179.926 177.584 -0.084 0.000 1.169 299 A CA 1.971 53.932 52.037 -0.128 0.000 0.635 299 A CB -0.634 18.310 19.000 -0.094 0.000 0.810 299 A HN 0.568 nan 8.150 nan 0.000 0.446 300 A N -1.302 121.476 122.820 -0.070 0.000 1.930 300 A HA 0.348 4.667 4.320 -0.002 0.000 0.217 300 A C 2.200 179.844 177.584 0.099 0.000 1.175 300 A CA 1.781 53.845 52.037 0.045 0.000 0.627 300 A CB -1.276 17.796 19.000 0.119 0.000 0.815 300 A HN 1.979 nan 8.150 nan 0.000 0.443 301 G N -1.183 107.653 108.800 0.060 0.000 2.591 301 G HA2 -0.098 3.861 3.960 -0.002 0.000 0.298 301 G HA3 -0.098 3.861 3.960 -0.002 0.000 0.298 301 G C 1.343 176.428 174.900 0.308 0.000 1.195 301 G CA 1.512 46.646 45.100 0.056 0.000 0.989 301 G HN 1.570 nan 8.290 nan 0.000 0.551 302 A N 0.036 122.962 122.820 0.176 0.000 2.172 302 A HA 0.141 4.461 4.320 -0.002 0.000 0.216 302 A C 1.907 179.575 177.584 0.140 0.000 1.154 302 A CA 1.951 54.074 52.037 0.144 0.000 0.701 302 A CB -0.465 18.569 19.000 0.056 0.000 0.789 302 A HN 0.663 nan 8.150 nan 0.000 0.465 303 N N -1.991 116.811 118.700 0.170 0.000 2.336 303 N HA 0.017 4.756 4.740 -0.002 0.000 0.189 303 N C -0.138 175.535 175.510 0.272 0.000 1.113 303 N CA -0.449 52.703 53.050 0.170 0.000 0.858 303 N CB 0.088 38.655 38.487 0.132 0.000 0.970 303 N HN 0.656 nan 8.380 nan 0.000 0.471 304 W N 1.166 122.537 121.300 0.118 0.000 2.381 304 W HA -0.007 4.652 4.660 -0.001 0.000 0.321 304 W C 0.802 177.406 176.519 0.141 0.000 1.407 304 W CA -1.263 56.171 57.345 0.149 0.000 1.274 304 W CB -0.081 29.496 29.460 0.195 0.000 1.310 304 W HN 0.188 nan 8.180 nan 0.000 0.551 305 W N 8.044 129.278 121.300 -0.110 0.000 2.304 305 W HA -0.252 4.407 4.660 -0.001 0.000 0.315 305 W C -0.750 175.565 176.519 -0.340 0.000 1.233 305 W CA 2.512 59.736 57.345 -0.203 0.000 1.261 305 W CB -1.378 27.975 29.460 -0.179 0.000 1.150 305 W HN 0.298 nan 8.180 nan 0.000 0.494 306 P HA -0.195 nan 4.420 nan 0.000 0.217 306 P C 1.761 178.659 177.300 -0.670 0.000 1.150 306 P CA 1.678 64.277 63.100 -0.835 0.000 0.832 306 P CB -0.337 30.780 31.700 -0.971 0.000 0.787 307 L N 0.112 121.006 121.223 -0.549 0.000 2.044 307 L HA -0.043 4.296 4.340 -0.002 0.000 0.205 307 L C 2.257 178.960 176.870 -0.278 0.000 1.075 307 L CA 1.941 56.614 54.840 -0.278 0.000 0.747 307 L CB -1.183 40.866 42.059 -0.017 0.000 0.903 307 L HN -0.225 nan 8.230 nan 0.000 0.435 308 K N -1.210 119.037 120.400 -0.254 0.000 2.009 308 K HA -0.276 4.043 4.320 -0.002 0.000 0.210 308 K C 2.233 178.642 176.600 -0.318 0.000 1.049 308 K CA 2.076 58.235 56.287 -0.214 0.000 0.929 308 K CB -0.525 31.907 32.500 -0.114 0.000 0.714 308 K HN 0.296 nan 8.250 nan 0.000 0.440 309 F N 1.323 120.849 119.950 -0.708 0.000 2.126 309 F HA -0.174 4.352 4.527 -0.001 0.000 0.299 309 F C 1.990 177.543 175.800 -0.412 0.000 1.096 309 F CA 1.543 59.130 58.000 -0.689 0.000 1.255 309 F CB -0.653 37.602 39.000 -1.242 0.000 0.997 309 F HN 0.133 nan 8.300 nan 0.000 0.479 310 A N 0.751 123.245 122.820 -0.544 0.000 1.883 310 A HA -0.216 4.103 4.320 -0.002 0.000 0.217 310 A C 2.372 179.724 177.584 -0.388 0.000 1.186 310 A CA 1.934 53.704 52.037 -0.446 0.000 0.624 310 A CB -0.764 18.080 19.000 -0.259 0.000 0.822 310 A HN 0.481 nan 8.150 nan 0.000 0.444 311 R N -0.480 119.829 120.500 -0.318 0.000 2.075 311 R HA -0.110 4.229 4.340 -0.002 0.000 0.232 311 R C 2.161 178.300 176.300 -0.268 0.000 1.126 311 R CA 1.578 57.541 56.100 -0.230 0.000 0.963 311 R CB -0.316 29.879 30.300 -0.175 0.000 0.858 311 R HN 0.689 nan 8.270 nan 0.000 0.435 312 E N -0.098 119.878 120.200 -0.374 0.000 2.072 312 E HA -0.161 4.188 4.350 -0.002 0.000 0.190 312 E C 1.713 177.891 176.600 -0.703 0.000 0.982 312 E CA 0.728 56.780 56.400 -0.579 0.000 0.803 312 E CB -0.123 29.256 29.700 -0.534 0.000 0.755 312 E HN 0.154 nan 8.360 nan 0.000 0.453 313 F N 2.528 121.969 119.950 -0.849 0.000 2.134 313 F HA -0.190 4.336 4.527 -0.002 0.000 0.299 313 F C 1.909 177.434 175.800 -0.457 0.000 1.097 313 F CA 1.564 59.122 58.000 -0.736 0.000 1.264 313 F CB -0.460 37.857 39.000 -1.138 0.000 1.001 313 F HN -0.074 nan 8.300 nan 0.000 0.479 314 D N 0.004 120.172 120.400 -0.386 0.000 2.117 314 D HA -0.214 4.425 4.640 -0.002 0.000 0.197 314 D C 1.892 178.044 176.300 -0.246 0.000 0.987 314 D CA 1.572 55.369 54.000 -0.339 0.000 0.829 314 D CB -0.378 40.302 40.800 -0.200 0.000 0.961 314 D HN 0.381 nan 8.370 nan 0.000 0.460 315 D N -0.824 119.468 120.400 -0.180 0.000 2.123 315 D HA -0.103 4.536 4.640 -0.002 0.000 0.196 315 D C 1.873 178.157 176.300 -0.026 0.000 0.992 315 D CA 1.648 55.612 54.000 -0.060 0.000 0.833 315 D CB -0.129 40.721 40.800 0.083 0.000 0.954 315 D HN 0.200 nan 8.370 nan 0.000 0.455 316 A N -0.019 122.760 122.820 -0.069 0.000 1.898 316 A HA -0.080 4.239 4.320 -0.002 0.000 0.216 316 A C 2.367 179.969 177.584 0.030 0.000 1.181 316 A CA 0.991 53.064 52.037 0.060 0.000 0.620 316 A CB -0.744 18.308 19.000 0.086 0.000 0.819 316 A HN 0.352 nan 8.150 nan 0.000 0.442 317 I N -0.271 120.250 120.570 -0.082 0.000 2.163 317 I HA -0.288 3.881 4.170 -0.002 0.000 0.243 317 I C 2.399 178.511 176.117 -0.008 0.000 1.085 317 I CA 1.303 62.542 61.300 -0.100 0.000 1.347 317 I CB -0.329 37.491 38.000 -0.300 0.000 1.044 317 I HN 0.301 nan 8.210 nan 0.000 0.408 318 L N -0.357 120.747 121.223 -0.199 0.000 2.056 318 L HA -0.181 4.158 4.340 -0.002 0.000 0.207 318 L C 2.692 179.442 176.870 -0.200 0.000 1.078 318 L CA 1.157 55.742 54.840 -0.425 0.000 0.749 318 L CB -0.589 40.822 42.059 -1.081 0.000 0.901 318 L HN 0.169 nan 8.230 nan 0.000 0.433 319 S N -0.374 115.299 115.700 -0.046 0.000 2.359 319 S HA -0.160 4.309 4.470 -0.002 0.000 0.224 319 S C 2.005 176.692 174.600 0.144 0.000 1.035 319 S CA 1.366 59.640 58.200 0.124 0.000 1.018 319 S CB -0.171 63.104 63.200 0.125 0.000 0.876 319 S HN 0.276 nan 8.310 nan 0.000 0.448 320 M N 1.048 120.733 119.600 0.142 0.000 2.175 320 M HA 0.040 4.520 4.480 -0.002 0.000 0.264 320 M C 2.117 178.657 176.300 0.399 0.000 1.063 320 M CA 1.206 56.652 55.300 0.244 0.000 1.119 320 M CB -1.171 31.528 32.600 0.166 0.000 1.377 320 M HN 0.242 nan 8.290 nan 0.000 0.415 321 R N -0.493 120.252 120.500 0.408 0.000 2.091 321 R HA -0.115 4.224 4.340 -0.002 0.000 0.238 321 R C 2.110 178.514 176.300 0.174 0.000 1.136 321 R CA 1.936 58.205 56.100 0.281 0.000 0.959 321 R CB -0.423 29.977 30.300 0.167 0.000 0.856 321 R HN 0.386 nan 8.270 nan 0.000 0.437 322 T N 0.183 114.838 114.554 0.169 0.000 2.976 322 T HA 0.055 4.404 4.350 -0.002 0.000 0.257 322 T C 1.187 175.998 174.700 0.184 0.000 1.051 322 T CA 0.731 62.922 62.100 0.151 0.000 1.141 322 T CB 0.052 69.043 68.868 0.205 0.000 0.881 322 T HN 0.202 nan 8.240 nan 0.000 0.461 323 N N 0.825 119.637 118.700 0.185 0.000 2.250 323 N HA 0.077 4.816 4.740 -0.002 0.000 0.190 323 N C -0.000 175.596 175.510 0.144 0.000 1.116 323 N CA 0.359 53.509 53.050 0.166 0.000 0.881 323 N CB 0.677 39.251 38.487 0.146 0.000 1.006 323 N HN 0.316 nan 8.380 nan 0.000 0.491 324 E N 1.019 121.316 120.200 0.161 0.000 3.037 324 E HA 0.232 4.581 4.350 -0.002 0.000 0.220 324 E C 0.698 177.391 176.600 0.155 0.000 1.142 324 E CA -0.104 56.387 56.400 0.151 0.000 0.888 324 E CB 0.759 30.556 29.700 0.162 0.000 1.329 324 E HN 0.165 nan 8.360 nan 0.000 0.409 325 L N -0.072 121.224 121.223 0.123 0.000 2.313 325 L HA 0.033 4.372 4.340 -0.002 0.000 0.214 325 L C 2.000 178.914 176.870 0.074 0.000 1.119 325 L CA 0.881 55.780 54.840 0.099 0.000 0.809 325 L CB -0.109 42.009 42.059 0.097 0.000 0.933 325 L HN 0.270 nan 8.230 nan 0.000 0.449 326 A N -0.535 122.330 122.820 0.074 0.000 2.132 326 A HA 0.110 4.430 4.320 -0.002 0.000 0.213 326 A C 1.128 178.743 177.584 0.052 0.000 1.154 326 A CA 0.115 52.183 52.037 0.053 0.000 0.753 326 A CB -0.006 19.023 19.000 0.047 0.000 0.826 326 A HN 0.126 nan 8.150 nan 0.000 0.469 327 V N 1.303 121.268 119.914 0.085 0.000 2.276 327 V HA 0.272 4.391 4.120 -0.002 0.000 0.249 327 V C 1.592 177.745 176.094 0.098 0.000 1.160 327 V CA 0.440 62.805 62.300 0.108 0.000 1.042 327 V CB 0.038 31.956 31.823 0.157 0.000 1.224 327 V HN 0.428 nan 8.190 nan 0.000 0.496 328 G N 3.245 112.052 108.800 0.012 0.000 2.623 328 G HA2 -0.008 3.951 3.960 -0.002 0.000 0.214 328 G HA3 -0.008 3.951 3.960 -0.002 0.000 0.214 328 G C 0.679 175.485 174.900 -0.156 0.000 1.138 328 G CA 0.266 45.320 45.100 -0.077 0.000 0.794 328 G HN 0.557 nan 8.290 nan 0.000 0.535 329 T N 0.794 115.297 114.554 -0.085 0.000 2.797 329 T HA 0.427 4.776 4.350 -0.002 0.000 0.279 329 T C -1.384 173.392 174.700 0.127 0.000 0.991 329 T CA -0.477 61.540 62.100 -0.137 0.000 0.979 329 T CB 1.567 70.290 68.868 -0.242 0.000 0.943 329 T HN 0.114 nan 8.240 nan 0.000 0.444 330 W N 2.438 123.629 121.300 -0.181 0.000 2.478 330 W HA 0.612 5.271 4.660 -0.002 0.000 0.318 330 W C -0.710 175.613 176.519 -0.325 0.000 1.062 330 W CA -1.219 56.025 57.345 -0.167 0.000 1.210 330 W CB 0.733 30.006 29.460 -0.312 0.000 1.325 330 W HN 0.261 nan 8.180 nan 0.000 0.496 331 V N 5.041 124.999 119.914 0.074 0.000 2.435 331 V HA 0.393 4.512 4.120 -0.002 0.000 0.290 331 V C -0.611 175.551 176.094 0.113 0.000 1.030 331 V CA -0.761 61.577 62.300 0.063 0.000 0.881 331 V CB 0.923 32.845 31.823 0.164 0.000 0.983 331 V HN 0.120 nan 8.190 nan 0.000 0.445 332 F N 4.678 124.789 119.950 0.269 0.000 2.415 332 F HA 0.684 5.211 4.527 -0.001 0.000 0.348 332 F C 0.615 176.587 175.800 0.287 0.000 1.119 332 F CA -0.744 57.380 58.000 0.207 0.000 1.069 332 F CB 1.159 40.253 39.000 0.157 0.000 1.124 332 F HN 0.313 nan 8.300 nan 0.000 0.472 333 R N 0.519 121.233 120.500 0.357 0.000 2.888 333 R HA 0.812 5.151 4.340 -0.002 0.000 0.266 333 R C -0.703 175.521 176.300 -0.127 0.000 1.020 333 R CA -1.024 55.230 56.100 0.257 0.000 0.963 333 R CB 2.506 32.928 30.300 0.204 0.000 1.197 333 R HN 0.704 nan 8.270 nan 0.000 0.481 334 T N -1.904 112.510 114.554 -0.233 0.000 2.896 334 T HA 0.564 4.913 4.350 -0.002 0.000 0.297 334 T C -0.947 173.681 174.700 -0.120 0.000 1.108 334 T CA -1.023 60.829 62.100 -0.413 0.000 1.004 334 T CB 2.259 70.641 68.868 -0.811 0.000 1.159 334 T HN 0.734 nan 8.240 nan 0.000 0.499 335 E N 0.128 120.299 120.200 -0.048 0.000 2.413 335 E HA 0.717 5.066 4.350 -0.002 0.000 0.277 335 E C -0.028 176.577 176.600 0.007 0.000 0.958 335 E CA -1.139 55.260 56.400 -0.002 0.000 0.779 335 E CB 1.508 31.212 29.700 0.006 0.000 1.278 335 E HN 1.509 nan 8.360 nan 0.000 0.456 336 G N 1.074 109.856 108.800 -0.030 0.000 2.373 336 G HA2 -0.017 3.942 3.960 -0.002 0.000 0.634 336 G HA3 -0.017 3.942 3.960 -0.002 0.000 0.634 336 G C -1.645 173.176 174.900 -0.132 0.000 1.267 336 G CA -0.366 44.687 45.100 -0.078 0.000 1.008 336 G HN 0.684 nan 8.290 nan 0.000 0.497 337 D N 0.701 120.974 120.400 -0.213 0.000 2.359 337 D HA 0.630 5.269 4.640 -0.002 0.000 0.230 337 D C 1.414 177.515 176.300 -0.333 0.000 1.118 337 D CA 0.605 54.423 54.000 -0.303 0.000 0.844 337 D CB 1.145 41.635 40.800 -0.518 0.000 1.059 337 D HN 0.941 nan 8.370 nan 0.000 0.493 338 A N 4.984 127.662 122.820 -0.237 0.000 1.986 338 A HA -0.220 4.099 4.320 -0.002 0.000 0.220 338 A C 2.038 179.486 177.584 -0.227 0.000 1.171 338 A CA 1.238 53.148 52.037 -0.212 0.000 0.640 338 A CB -0.208 18.722 19.000 -0.117 0.000 0.811 338 A HN 0.672 nan 8.150 nan 0.000 0.451 339 R N -1.333 119.012 120.500 -0.258 0.000 2.120 339 R HA -0.139 4.200 4.340 -0.002 0.000 0.234 339 R C 1.948 178.164 176.300 -0.141 0.000 1.123 339 R CA 1.710 57.690 56.100 -0.200 0.000 0.975 339 R CB -0.491 29.682 30.300 -0.212 0.000 0.866 339 R HN 0.812 nan 8.270 nan 0.000 0.446 340 H N -0.123 118.809 119.070 -0.229 0.000 2.428 340 H HA -0.005 4.550 4.556 -0.002 0.000 0.296 340 H C 2.102 177.178 175.328 -0.420 0.000 1.062 340 H CA 0.662 56.532 56.048 -0.297 0.000 1.350 340 H CB 0.127 29.684 29.762 -0.340 0.000 1.403 340 H HN 0.078 nan 8.280 nan 0.000 0.533 341 L N 0.472 121.453 121.223 -0.404 0.000 2.017 341 L HA -0.201 4.138 4.340 -0.002 0.000 0.208 341 L C 2.188 178.903 176.870 -0.259 0.000 1.073 341 L CA 1.033 55.560 54.840 -0.522 0.000 0.745 341 L CB -0.281 41.420 42.059 -0.597 0.000 0.894 341 L HN 0.299 nan 8.230 nan 0.000 0.432 342 L N -0.750 120.375 121.223 -0.164 0.000 2.093 342 L HA -0.167 4.172 4.340 -0.002 0.000 0.208 342 L C 2.833 179.680 176.870 -0.039 0.000 1.085 342 L CA 0.972 55.768 54.840 -0.073 0.000 0.755 342 L CB -0.748 41.281 42.059 -0.049 0.000 0.904 342 L HN 0.242 nan 8.230 nan 0.000 0.435 343 A N 0.216 123.012 122.820 -0.040 0.000 1.933 343 A HA -0.146 4.173 4.320 -0.002 0.000 0.218 343 A C 2.570 180.170 177.584 0.027 0.000 1.175 343 A CA 1.632 53.670 52.037 0.002 0.000 0.628 343 A CB -0.610 18.401 19.000 0.019 0.000 0.814 343 A HN 0.386 nan 8.150 nan 0.000 0.444 344 A N 0.229 123.038 122.820 -0.020 0.000 1.883 344 A HA -0.216 4.103 4.320 -0.002 0.000 0.217 344 A C 1.785 179.423 177.584 0.090 0.000 1.186 344 A CA 2.038 54.103 52.037 0.048 0.000 0.624 344 A CB -0.702 18.272 19.000 -0.043 0.000 0.822 344 A HN 0.443 nan 8.150 nan 0.000 0.444 345 D N -0.058 120.368 120.400 0.043 0.000 2.144 345 D HA -0.045 4.594 4.640 -0.002 0.000 0.199 345 D C 2.194 178.532 176.300 0.063 0.000 0.984 345 D CA 1.513 55.554 54.000 0.069 0.000 0.834 345 D CB -0.425 40.408 40.800 0.055 0.000 0.955 345 D HN 0.429 nan 8.370 nan 0.000 0.465 346 A N 0.668 123.516 122.820 0.045 0.000 1.933 346 A HA -0.172 4.147 4.320 -0.002 0.000 0.218 346 A C 2.306 179.908 177.584 0.030 0.000 1.175 346 A CA 2.274 54.327 52.037 0.026 0.000 0.628 346 A CB -0.614 18.395 19.000 0.014 0.000 0.814 346 A HN 0.335 nan 8.150 nan 0.000 0.444 347 S N -0.116 115.646 115.700 0.103 0.000 2.406 347 S HA -0.031 4.438 4.470 -0.002 0.000 0.228 347 S C 1.887 176.614 174.600 0.213 0.000 1.020 347 S CA 1.184 59.489 58.200 0.174 0.000 0.965 347 S CB -0.685 62.714 63.200 0.331 0.000 0.798 347 S HN 0.450 nan 8.310 nan 0.000 0.488 348 L N 0.295 121.646 121.223 0.215 0.000 2.046 348 L HA -0.053 4.286 4.340 -0.002 0.000 0.208 348 L C 2.943 179.871 176.870 0.096 0.000 1.077 348 L CA 1.185 56.141 54.840 0.193 0.000 0.747 348 L CB -0.599 41.547 42.059 0.145 0.000 0.896 348 L HN 0.322 nan 8.230 nan 0.000 0.432 349 M N -0.701 118.923 119.600 0.040 0.000 2.200 349 M HA -0.198 4.281 4.480 -0.002 0.000 0.265 349 M C 2.235 178.514 176.300 -0.036 0.000 1.066 349 M CA 1.560 56.859 55.300 -0.001 0.000 1.127 349 M CB -0.992 31.602 32.600 -0.010 0.000 1.379 349 M HN 0.329 nan 8.290 nan 0.000 0.420 350 Q N -0.411 119.321 119.800 -0.113 0.000 2.123 350 Q HA -0.162 4.177 4.340 -0.002 0.000 0.199 350 Q C 0.934 176.784 176.000 -0.251 0.000 0.966 350 Q CA 1.180 56.828 55.803 -0.257 0.000 0.845 350 Q CB 0.187 28.633 28.738 -0.488 0.000 0.907 350 Q HN 0.524 nan 8.270 nan 0.000 0.439 351 H N -0.108 118.992 119.070 0.050 0.000 2.505 351 H HA 0.099 4.654 4.556 -0.002 0.000 0.286 351 H C 1.009 176.385 175.328 0.080 0.000 1.072 351 H CA 0.407 56.485 56.048 0.049 0.000 1.141 351 H CB 0.424 30.181 29.762 -0.008 0.000 1.550 351 H HN 0.412 nan 8.280 nan 0.000 0.547 352 K N 0.159 120.646 120.400 0.145 0.000 2.360 352 K HA -0.090 4.229 4.320 -0.002 0.000 0.201 352 K C 0.310 176.984 176.600 0.124 0.000 1.046 352 K CA 1.281 57.639 56.287 0.118 0.000 0.945 352 K CB 0.256 32.793 32.500 0.062 0.000 0.750 352 K HN 0.033 nan 8.250 nan 0.000 0.464 353 D N 0.404 120.888 120.400 0.141 0.000 2.348 353 D HA -0.075 4.564 4.640 -0.002 0.000 0.211 353 D C 0.228 176.623 176.300 0.158 0.000 0.998 353 D CA 0.347 54.426 54.000 0.131 0.000 0.873 353 D CB -0.114 40.753 40.800 0.112 0.000 0.925 353 D HN 0.329 nan 8.370 nan 0.000 0.524 354 H N 1.651 120.776 119.070 0.092 0.000 2.764 354 H HA -0.071 4.485 4.556 -0.002 0.000 0.341 354 H C 1.435 176.792 175.328 0.048 0.000 1.072 354 H CA -0.138 55.950 56.048 0.066 0.000 1.444 354 H CB 0.680 30.429 29.762 -0.022 0.000 1.458 354 H HN 0.216 nan 8.280 nan 0.000 0.572 355 W N 5.692 126.806 121.300 -0.311 0.000 2.321 355 W HA -0.271 4.388 4.660 -0.002 0.000 0.306 355 W C 1.005 177.603 176.519 0.131 0.000 1.217 355 W CA 0.719 58.010 57.345 -0.090 0.000 1.257 355 W CB -1.273 28.097 29.460 -0.151 0.000 1.145 355 W HN 0.547 nan 8.180 nan 0.000 0.509 356 F N 2.012 121.363 119.950 -0.999 0.000 2.187 356 F HA -0.034 4.492 4.527 -0.002 0.000 0.295 356 F C 2.370 178.070 175.800 -0.167 0.000 1.091 356 F CA 1.727 59.149 58.000 -0.963 0.000 1.308 356 F CB -0.939 37.290 39.000 -1.285 0.000 1.030 356 F HN -0.254 nan 8.300 nan 0.000 0.487 357 V N 1.359 121.172 119.914 -0.168 0.000 2.343 357 V HA -0.281 3.838 4.120 -0.002 0.000 0.247 357 V C 2.645 178.753 176.094 0.022 0.000 1.051 357 V CA 2.243 64.517 62.300 -0.045 0.000 1.036 357 V CB -0.834 31.044 31.823 0.091 0.000 0.654 357 V HN 0.319 nan 8.190 nan 0.000 0.451 358 R N 0.019 120.545 120.500 0.044 0.000 2.091 358 R HA -0.243 4.096 4.340 -0.002 0.000 0.238 358 R C 2.317 178.630 176.300 0.022 0.000 1.136 358 R CA 2.057 58.192 56.100 0.059 0.000 0.959 358 R CB -0.214 30.142 30.300 0.094 0.000 0.856 358 R HN 0.460 nan 8.270 nan 0.000 0.437 359 E N -0.426 119.744 120.200 -0.051 0.000 2.110 359 E HA -0.120 4.229 4.350 -0.002 0.000 0.193 359 E C 1.731 178.319 176.600 -0.020 0.000 0.988 359 E CA 1.947 58.236 56.400 -0.186 0.000 0.804 359 E CB -0.153 29.229 29.700 -0.531 0.000 0.745 359 E HN 0.323 nan 8.360 nan 0.000 0.458 360 T N 0.278 114.856 114.554 0.041 0.000 2.777 360 T HA -0.064 4.285 4.350 -0.002 0.000 0.266 360 T C 1.906 176.670 174.700 0.107 0.000 1.040 360 T CA 1.162 63.352 62.100 0.149 0.000 1.141 360 T CB -0.236 68.620 68.868 -0.020 0.000 0.868 360 T HN 0.133 nan 8.240 nan 0.000 0.444 361 I N 1.306 121.934 120.570 0.096 0.000 2.208 361 I HA -0.164 4.005 4.170 -0.002 0.000 0.245 361 I C 2.839 179.046 176.117 0.151 0.000 1.097 361 I CA 1.343 62.731 61.300 0.147 0.000 1.363 361 I CB -0.698 37.357 38.000 0.092 0.000 1.051 361 I HN 0.317 nan 8.210 nan 0.000 0.413 362 G N 0.864 109.729 108.800 0.108 0.000 2.446 362 G HA2 -0.274 3.685 3.960 -0.002 0.000 0.217 362 G HA3 -0.274 3.685 3.960 -0.002 0.000 0.217 362 G C 1.627 176.608 174.900 0.136 0.000 1.168 362 G CA 0.732 45.897 45.100 0.109 0.000 0.771 362 G HN 0.268 nan 8.290 nan 0.000 0.551 363 L N 0.381 121.715 121.223 0.185 0.000 2.056 363 L HA 0.158 4.497 4.340 -0.002 0.000 0.207 363 L C 2.712 179.612 176.870 0.049 0.000 1.078 363 L CA 1.233 56.171 54.840 0.163 0.000 0.749 363 L CB -0.470 41.731 42.059 0.237 0.000 0.901 363 L HN 0.214 nan 8.230 nan 0.000 0.433 364 L N -0.661 120.583 121.223 0.034 0.000 2.012 364 L HA -0.247 4.092 4.340 -0.002 0.000 0.210 364 L C 2.807 179.639 176.870 -0.064 0.000 1.073 364 L CA 1.797 56.596 54.840 -0.068 0.000 0.748 364 L CB -0.586 41.429 42.059 -0.073 0.000 0.891 364 L HN 0.310 nan 8.230 nan 0.000 0.431 365 R N 0.307 120.876 120.500 0.114 0.000 2.080 365 R HA -0.191 4.148 4.340 -0.002 0.000 0.236 365 R C 2.488 178.821 176.300 0.055 0.000 1.137 365 R CA 1.717 57.908 56.100 0.151 0.000 0.943 365 R CB -0.152 30.244 30.300 0.160 0.000 0.846 365 R HN 0.255 nan 8.270 nan 0.000 0.431 366 R N -0.640 119.890 120.500 0.051 0.000 2.096 366 R HA -0.075 4.264 4.340 -0.002 0.000 0.235 366 R C 2.290 178.566 176.300 -0.039 0.000 1.127 366 R CA 1.931 58.047 56.100 0.027 0.000 0.968 366 R CB -0.315 30.018 30.300 0.055 0.000 0.861 366 R HN 0.332 nan 8.270 nan 0.000 0.440 367 T N 1.561 116.067 114.554 -0.080 0.000 2.701 367 T HA -0.049 4.300 4.350 -0.002 0.000 0.263 367 T C 1.902 176.458 174.700 -0.240 0.000 1.040 367 T CA 0.935 62.920 62.100 -0.191 0.000 1.147 367 T CB -0.139 68.588 68.868 -0.234 0.000 0.865 367 T HN 0.112 nan 8.240 nan 0.000 0.426 368 L N 0.918 122.036 121.223 -0.176 0.000 2.127 368 L HA -0.086 4.253 4.340 -0.002 0.000 0.211 368 L C 2.904 179.720 176.870 -0.089 0.000 1.089 368 L CA 1.073 55.829 54.840 -0.139 0.000 0.757 368 L CB -0.590 41.397 42.059 -0.119 0.000 0.899 368 L HN 0.245 nan 8.230 nan 0.000 0.434 369 A N -0.302 122.486 122.820 -0.052 0.000 2.121 369 A HA -0.135 4.184 4.320 -0.002 0.000 0.218 369 A C 2.318 179.860 177.584 -0.070 0.000 1.154 369 A CA 0.911 52.938 52.037 -0.016 0.000 0.679 369 A CB -0.392 18.632 19.000 0.041 0.000 0.795 369 A HN 0.331 nan 8.150 nan 0.000 0.458 370 R N -0.526 119.903 120.500 -0.118 0.000 2.148 370 R HA 0.012 4.351 4.340 -0.002 0.000 0.223 370 R C 1.744 177.970 176.300 -0.123 0.000 1.088 370 R CA 1.233 57.244 56.100 -0.149 0.000 0.985 370 R CB -0.414 29.787 30.300 -0.166 0.000 0.880 370 R HN 0.577 nan 8.270 nan 0.000 0.451 371 I N 1.366 121.880 120.570 -0.093 0.000 2.179 371 I HA -0.284 3.885 4.170 -0.002 0.000 0.242 371 I C 1.617 177.727 176.117 -0.012 0.000 1.088 371 I CA 1.423 62.722 61.300 -0.002 0.000 1.357 371 I CB -0.383 37.649 38.000 0.053 0.000 1.051 371 I HN 0.130 nan 8.210 nan 0.000 0.409 372 D N 0.649 121.039 120.400 -0.016 0.000 2.218 372 D HA -0.120 4.519 4.640 -0.002 0.000 0.204 372 D C 1.905 178.250 176.300 0.075 0.000 0.976 372 D CA 1.582 55.583 54.000 0.000 0.000 0.853 372 D CB -0.081 40.693 40.800 -0.043 0.000 0.939 372 D HN 0.414 nan 8.370 nan 0.000 0.481 373 V N -1.850 118.037 119.914 -0.045 0.000 3.596 373 V HA 0.188 4.307 4.120 -0.002 0.000 0.289 373 V C 0.650 176.619 176.094 -0.207 0.000 1.336 373 V CA -0.442 61.746 62.300 -0.186 0.000 1.137 373 V CB -0.006 31.420 31.823 -0.661 0.000 0.966 373 V HN -0.200 nan 8.190 nan 0.000 0.428 374 S N 2.331 117.928 115.700 -0.172 0.000 2.548 374 S HA 0.311 4.780 4.470 -0.002 0.000 0.277 374 S C 0.957 175.403 174.600 -0.257 0.000 1.315 374 S CA 0.362 58.424 58.200 -0.230 0.000 1.050 374 S CB 1.105 64.117 63.200 -0.314 0.000 0.918 374 S HN 0.838 nan 8.310 nan 0.000 0.497 375 S N 4.145 119.700 115.700 -0.240 0.000 3.811 375 S HA 0.307 4.776 4.470 -0.002 0.000 0.205 375 S C -0.064 174.349 174.600 -0.312 0.000 1.445 375 S CA -0.703 57.373 58.200 -0.206 0.000 1.097 375 S CB -0.415 62.714 63.200 -0.118 0.000 1.350 375 S HN 0.450 nan 8.310 nan 0.000 0.471 376 R N 0.600 120.826 120.500 -0.457 0.000 2.651 376 R HA 0.470 4.809 4.340 -0.002 0.000 0.278 376 R C -0.668 175.375 176.300 -0.427 0.000 1.010 376 R CA -0.546 55.199 56.100 -0.592 0.000 0.896 376 R CB 1.573 31.083 30.300 -1.316 0.000 1.211 376 R HN 0.337 nan 8.270 nan 0.000 0.456 377 S N 1.899 117.405 115.700 -0.323 0.000 2.576 377 S HA 0.427 4.896 4.470 -0.002 0.000 0.276 377 S C 0.134 174.593 174.600 -0.235 0.000 1.339 377 S CA -0.321 57.744 58.200 -0.224 0.000 1.039 377 S CB 0.403 63.461 63.200 -0.237 0.000 0.902 377 S HN 0.276 nan 8.310 nan 0.000 0.516 378 L N 3.488 124.669 121.223 -0.072 0.000 2.372 378 L HA 0.537 4.876 4.340 -0.002 0.000 0.274 378 L C -1.360 175.673 176.870 0.271 0.000 0.988 378 L CA -0.462 54.350 54.840 -0.047 0.000 0.833 378 L CB 0.889 42.946 42.059 -0.003 0.000 1.236 378 L HN 0.459 nan 8.230 nan 0.000 0.410 379 F N 1.946 121.834 119.950 -0.104 0.000 2.482 379 F HA 0.683 5.210 4.527 -0.001 0.000 0.331 379 F C 0.419 176.251 175.800 0.053 0.000 1.115 379 F CA -1.367 56.637 58.000 0.005 0.000 0.955 379 F CB 2.138 41.173 39.000 0.058 0.000 1.136 379 F HN 0.404 nan 8.300 nan 0.000 0.452 380 A N 5.334 128.302 122.820 0.246 0.000 2.276 380 A HA 0.767 5.086 4.320 -0.002 0.000 0.316 380 A C -0.961 176.718 177.584 0.158 0.000 1.229 380 A CA -0.547 51.643 52.037 0.255 0.000 0.851 380 A CB 0.378 19.482 19.000 0.174 0.000 1.165 380 A HN 0.730 nan 8.150 nan 0.000 0.513 381 L N 4.038 125.416 121.223 0.258 0.000 2.294 381 L HA 0.410 4.749 4.340 -0.002 0.000 0.283 381 L C -0.668 176.323 176.870 0.201 0.000 1.015 381 L CA -0.136 54.896 54.840 0.321 0.000 0.831 381 L CB 1.192 43.514 42.059 0.439 0.000 1.217 381 L HN 0.607 nan 8.230 nan 0.000 0.420 382 I N 3.485 124.073 120.570 0.029 0.000 2.276 382 I HA 0.218 4.387 4.170 -0.002 0.000 0.290 382 I C 0.276 176.397 176.117 0.005 0.000 1.109 382 I CA -0.147 61.060 61.300 -0.156 0.000 1.229 382 I CB 0.394 38.137 38.000 -0.427 0.000 1.452 382 I HN 0.665 nan 8.210 nan 0.000 0.497 383 E N 6.525 126.751 120.200 0.043 0.000 2.239 383 E HA 0.436 4.785 4.350 -0.002 0.000 0.261 383 E C -2.455 174.094 176.600 -0.086 0.000 1.016 383 E CA -2.154 54.161 56.400 -0.140 0.000 0.882 383 E CB 0.702 30.339 29.700 -0.105 0.000 1.190 383 E HN 0.208 nan 8.360 nan 0.000 0.415 384 P HA -0.001 nan 4.420 nan 0.000 0.265 384 P C 0.441 177.718 177.300 -0.038 0.000 1.193 384 P CA 0.989 64.036 63.100 -0.088 0.000 0.765 384 P CB 0.401 32.031 31.700 -0.115 0.000 0.823 385 G N 1.482 110.272 108.800 -0.017 0.000 2.199 385 G HA2 -0.249 3.710 3.960 -0.002 0.000 0.254 385 G HA3 -0.249 3.710 3.960 -0.002 0.000 0.254 385 G C 0.505 175.416 174.900 0.018 0.000 0.982 385 G CA 0.356 45.452 45.100 -0.006 0.000 0.632 385 G HN 0.772 nan 8.290 nan 0.000 0.529 386 S N -0.800 114.937 115.700 0.061 0.000 2.641 386 S HA 0.529 4.998 4.470 -0.002 0.000 0.261 386 S C 0.793 175.450 174.600 0.095 0.000 1.257 386 S CA 0.281 58.549 58.200 0.113 0.000 0.983 386 S CB 1.588 64.966 63.200 0.298 0.000 0.990 386 S HN 1.820 nan 8.310 nan 0.000 0.572 387 C N -1.769 117.576 119.300 0.075 0.000 3.421 387 C HA 0.522 4.981 4.460 -0.002 0.000 0.194 387 C C -0.617 174.395 174.990 0.037 0.000 1.418 387 C CA -1.117 57.927 59.018 0.043 0.000 1.226 387 C CB -2.225 25.493 27.740 -0.037 0.000 1.875 387 C HN 0.651 nan 8.230 nan 0.000 0.561 388 F N 2.693 122.668 119.950 0.041 0.000 2.679 388 F HA 0.497 5.023 4.527 -0.002 0.000 0.351 388 F C 1.096 176.898 175.800 0.004 0.000 1.279 388 F CA 0.764 58.773 58.000 0.016 0.000 1.227 388 F CB 0.129 39.097 39.000 -0.053 0.000 1.623 388 F HN 0.781 nan 8.300 nan 0.000 0.666 389 A N 1.841 124.720 122.820 0.098 0.000 2.374 389 A HA 0.748 5.067 4.320 -0.002 0.000 0.305 389 A C 0.537 178.137 177.584 0.026 0.000 1.053 389 A CA -0.103 51.962 52.037 0.047 0.000 0.726 389 A CB 0.751 19.734 19.000 -0.028 0.000 1.229 389 A HN 0.912 nan 8.150 nan 0.000 0.431 390 G N 1.658 110.507 108.800 0.082 0.000 2.622 390 G HA2 -0.335 3.624 3.960 -0.002 0.000 0.307 390 G HA3 -0.335 3.624 3.960 -0.002 0.000 0.307 390 G C 1.206 176.199 174.900 0.156 0.000 1.226 390 G CA 1.274 46.439 45.100 0.109 0.000 0.997 390 G HN 1.468 nan 8.290 nan 0.000 0.551 391 T N 0.834 115.493 114.554 0.175 0.000 2.685 391 T HA -0.149 4.200 4.350 -0.002 0.000 0.268 391 T C 2.096 176.918 174.700 0.202 0.000 1.034 391 T CA 2.350 64.594 62.100 0.241 0.000 1.149 391 T CB -0.278 68.723 68.868 0.221 0.000 0.860 391 T HN 0.372 nan 8.240 nan 0.000 0.449 392 F N 1.370 121.244 119.950 -0.127 0.000 2.293 392 F HA 0.192 4.718 4.527 -0.001 0.000 0.300 392 F C 2.537 178.195 175.800 -0.237 0.000 1.086 392 F CA -0.283 57.548 58.000 -0.282 0.000 1.375 392 F CB -1.182 37.571 39.000 -0.412 0.000 1.045 392 F HN 0.169 nan 8.300 nan 0.000 0.516 393 A N -0.380 122.465 122.820 0.041 0.000 2.121 393 A HA -0.121 4.198 4.320 -0.002 0.000 0.218 393 A C 2.096 179.399 177.584 -0.468 0.000 1.154 393 A CA 1.009 52.938 52.037 -0.180 0.000 0.679 393 A CB -0.459 18.440 19.000 -0.169 0.000 0.795 393 A HN 0.205 nan 8.150 nan 0.000 0.458 394 E N 0.256 120.386 120.200 -0.116 0.000 2.204 394 E HA -0.154 4.195 4.350 -0.002 0.000 0.195 394 E C 1.808 178.349 176.600 -0.098 0.000 0.990 394 E CA 0.791 57.175 56.400 -0.026 0.000 0.821 394 E CB -0.349 29.387 29.700 0.060 0.000 0.750 394 E HN 0.729 nan 8.360 nan 0.000 0.477 395 L N 0.104 121.232 121.223 -0.159 0.000 2.201 395 L HA -0.101 4.238 4.340 -0.002 0.000 0.212 395 L C 2.474 179.400 176.870 0.094 0.000 1.105 395 L CA 0.893 55.621 54.840 -0.187 0.000 0.775 395 L CB -0.462 41.358 42.059 -0.398 0.000 0.913 395 L HN 0.046 nan 8.230 nan 0.000 0.440 396 A N 0.093 122.905 122.820 -0.013 0.000 1.872 396 A HA -0.127 4.192 4.320 -0.002 0.000 0.214 396 A C 1.853 179.396 177.584 -0.068 0.000 1.187 396 A CA 1.152 53.108 52.037 -0.136 0.000 0.614 396 A CB -0.564 18.175 19.000 -0.435 0.000 0.826 396 A HN 0.306 nan 8.150 nan 0.000 0.442 397 F N 0.093 120.052 119.950 0.016 0.000 2.558 397 F HA 0.180 4.706 4.527 -0.002 0.000 0.298 397 F C 2.489 178.248 175.800 -0.068 0.000 1.119 397 F CA -0.050 57.907 58.000 -0.073 0.000 1.451 397 F CB -0.832 38.105 39.000 -0.105 0.000 1.091 397 F HN 0.254 nan 8.300 nan 0.000 0.563 398 A N 0.004 122.904 122.820 0.133 0.000 2.119 398 A HA 0.422 4.741 4.320 -0.002 0.000 0.216 398 A C 1.591 179.243 177.584 0.114 0.000 1.152 398 A CA 0.584 52.680 52.037 0.099 0.000 0.708 398 A CB -0.850 18.222 19.000 0.121 0.000 0.805 398 A HN 0.148 nan 8.150 nan 0.000 0.460 399 A N 0.009 122.917 122.820 0.147 0.000 2.322 399 A HA 0.398 4.717 4.320 -0.002 0.000 0.269 399 A C 0.600 178.211 177.584 0.044 0.000 1.094 399 A CA -0.077 52.048 52.037 0.146 0.000 0.807 399 A CB 0.293 19.402 19.000 0.181 0.000 1.047 399 A HN 0.315 nan 8.150 nan 0.000 0.487 400 D N 0.433 120.873 120.400 0.068 0.000 2.144 400 D HA -0.055 4.584 4.640 -0.002 0.000 0.199 400 D C 0.392 176.649 176.300 -0.073 0.000 0.984 400 D CA 1.397 55.416 54.000 0.031 0.000 0.834 400 D CB 0.162 41.036 40.800 0.124 0.000 0.955 400 D HN 0.520 nan 8.370 nan 0.000 0.465 401 R N -0.849 119.556 120.500 -0.158 0.000 2.668 401 R HA 0.443 4.782 4.340 -0.002 0.000 0.272 401 R C -1.080 174.960 176.300 -0.433 0.000 1.019 401 R CA -0.469 55.353 56.100 -0.463 0.000 0.894 401 R CB 2.361 32.129 30.300 -0.887 0.000 1.228 401 R HN -0.205 nan 8.270 nan 0.000 0.460 402 T N 2.274 116.526 114.554 -0.504 0.000 2.881 402 T HA 0.433 4.782 4.350 -0.002 0.000 0.291 402 T C -1.357 173.051 174.700 -0.488 0.000 0.990 402 T CA -0.512 61.375 62.100 -0.355 0.000 0.976 402 T CB 0.567 69.308 68.868 -0.212 0.000 0.970 402 T HN 0.278 nan 8.240 nan 0.000 0.438 403 Y N 2.352 122.559 120.300 -0.157 0.000 2.377 403 Y HA 0.692 5.242 4.550 -0.002 0.000 0.339 403 Y C 0.148 176.135 175.900 0.146 0.000 1.011 403 Y CA -1.123 56.920 58.100 -0.096 0.000 1.093 403 Y CB 1.896 40.145 38.460 -0.352 0.000 1.201 403 Y HN 0.494 nan 8.280 nan 0.000 0.455 404 M N 2.500 122.329 119.600 0.382 0.000 2.395 404 M HA 0.780 5.259 4.480 -0.002 0.000 0.307 404 M C -1.264 175.238 176.300 0.337 0.000 1.091 404 M CA -0.838 54.630 55.300 0.280 0.000 0.919 404 M CB 1.537 34.184 32.600 0.078 0.000 1.662 404 M HN 0.760 nan 8.290 nan 0.000 0.440 405 A N 3.869 126.725 122.820 0.060 0.000 2.437 405 A HA 0.679 4.998 4.320 -0.002 0.000 0.303 405 A C 0.003 177.560 177.584 -0.045 0.000 1.324 405 A CA -0.364 51.582 52.037 -0.153 0.000 0.983 405 A CB -0.498 18.127 19.000 -0.625 0.000 1.142 405 A HN 0.919 nan 8.150 nan 0.000 0.541 406 A N 2.878 125.729 122.820 0.050 0.000 2.354 406 A HA 0.638 4.957 4.320 -0.002 0.000 0.269 406 A C -0.113 177.472 177.584 0.001 0.000 1.109 406 A CA -0.225 51.831 52.037 0.032 0.000 0.800 406 A CB 0.105 19.143 19.000 0.065 0.000 1.045 406 A HN 0.903 nan 8.150 nan 0.000 0.489 407 L N 3.688 124.905 121.223 -0.010 0.000 2.488 407 L HA 0.255 4.594 4.340 -0.002 0.000 0.250 407 L C -2.043 174.824 176.870 -0.005 0.000 1.280 407 L CA -1.359 53.470 54.840 -0.019 0.000 0.929 407 L CB 1.779 43.814 42.059 -0.041 0.000 1.200 407 L HN 0.477 nan 8.230 nan 0.000 0.495 408 P HA -0.173 nan 4.420 nan 0.000 0.217 408 P C 1.288 178.590 177.300 0.004 0.000 1.148 408 P CA 1.066 64.171 63.100 0.009 0.000 0.828 408 P CB 0.415 32.125 31.700 0.015 0.000 0.783 409 A N -2.084 120.736 122.820 0.000 0.000 2.308 409 A HA 0.139 4.458 4.320 -0.002 0.000 0.217 409 A C 1.097 178.677 177.584 -0.007 0.000 1.216 409 A CA 0.336 52.371 52.037 -0.002 0.000 0.864 409 A CB -0.562 18.438 19.000 -0.000 0.000 0.902 409 A HN 0.079 nan 8.150 nan 0.000 0.499 410 N N -0.104 118.589 118.700 -0.011 0.000 2.639 410 N HA 0.117 4.856 4.740 -0.002 0.000 0.265 410 N C 0.106 175.606 175.510 -0.017 0.000 1.689 410 N CA -0.092 52.949 53.050 -0.015 0.000 0.813 410 N CB 0.162 38.636 38.487 -0.022 0.000 1.353 410 N HN 0.307 nan 8.380 nan 0.000 0.510 411 E N -0.556 119.637 120.200 -0.011 0.000 2.204 411 E HA -0.123 4.226 4.350 -0.002 0.000 0.195 411 E C 0.232 176.824 176.600 -0.012 0.000 0.990 411 E CA 0.837 57.231 56.400 -0.009 0.000 0.821 411 E CB 0.275 29.973 29.700 -0.003 0.000 0.750 411 E HN 0.424 nan 8.360 nan 0.000 0.477 412 D N 0.664 121.056 120.400 -0.013 0.000 2.310 412 D HA -0.112 4.527 4.640 -0.002 0.000 0.212 412 D C 1.295 177.584 176.300 -0.019 0.000 0.965 412 D CA 0.778 54.770 54.000 -0.014 0.000 0.879 412 D CB 0.069 40.861 40.800 -0.013 0.000 0.921 412 D HN 0.106 nan 8.370 nan 0.000 0.510 413 E N 0.549 120.735 120.200 -0.024 0.000 2.474 413 E HA 0.059 4.408 4.350 -0.002 0.000 0.195 413 E C 0.131 176.708 176.600 -0.038 0.000 1.039 413 E CA -0.008 56.373 56.400 -0.032 0.000 0.881 413 E CB 0.230 29.907 29.700 -0.039 0.000 0.970 413 E HN 0.472 nan 8.360 nan 0.000 0.486 414 E N 2.643 122.824 120.200 -0.031 0.000 2.392 414 E HA 0.052 4.401 4.350 -0.002 0.000 0.264 414 E C -2.095 174.492 176.600 -0.022 0.000 1.024 414 E CA -1.380 55.001 56.400 -0.032 0.000 0.903 414 E CB 0.459 30.149 29.700 -0.017 0.000 0.963 414 E HN 0.028 nan 8.360 nan 0.000 0.432 415 P HA 0.164 nan 4.420 nan 0.000 0.274 415 P C -1.369 175.944 177.300 0.021 0.000 1.256 415 P CA -0.371 62.732 63.100 0.005 0.000 0.795 415 P CB 0.893 32.600 31.700 0.011 0.000 1.038 416 A N 0.918 123.764 122.820 0.043 0.000 2.435 416 A HA 0.683 5.003 4.320 -0.002 0.000 0.304 416 A C -0.467 177.167 177.584 0.084 0.000 1.064 416 A CA -0.905 51.163 52.037 0.051 0.000 0.727 416 A CB 0.889 19.913 19.000 0.040 0.000 1.284 416 A HN 0.436 nan 8.150 nan 0.000 0.415 417 I N 1.434 122.056 120.570 0.087 0.000 2.353 417 I HA 0.395 4.564 4.170 -0.002 0.000 0.293 417 I C -0.299 175.893 176.117 0.126 0.000 0.992 417 I CA -0.055 61.318 61.300 0.121 0.000 1.268 417 I CB 1.983 40.059 38.000 0.126 0.000 1.387 417 I HN 0.587 nan 8.210 nan 0.000 0.478 418 T N 7.045 121.677 114.554 0.130 0.000 2.847 418 T HA 0.492 4.841 4.350 -0.002 0.000 0.291 418 T C -0.181 174.612 174.700 0.155 0.000 0.998 418 T CA -0.542 61.629 62.100 0.117 0.000 0.967 418 T CB 0.954 69.862 68.868 0.067 0.000 0.954 418 T HN 0.257 nan 8.240 nan 0.000 0.441 419 L N 2.991 124.332 121.223 0.198 0.000 2.375 419 L HA 0.662 5.002 4.340 -0.002 0.000 0.271 419 L C 0.917 177.919 176.870 0.220 0.000 1.107 419 L CA -0.506 54.490 54.840 0.260 0.000 0.806 419 L CB 1.061 43.331 42.059 0.353 0.000 1.146 419 L HN 0.731 nan 8.230 nan 0.000 0.447 420 S N 0.071 115.912 115.700 0.235 0.000 2.745 420 S HA 0.343 4.812 4.470 -0.002 0.000 0.306 420 S C 0.536 175.302 174.600 0.278 0.000 1.137 420 S CA -0.835 57.481 58.200 0.194 0.000 0.900 420 S CB 1.651 64.925 63.200 0.123 0.000 1.176 420 S HN 0.573 nan 8.310 nan 0.000 0.520 421 E N 0.676 120.986 120.200 0.184 0.000 2.209 421 E HA -0.104 4.245 4.350 -0.002 0.000 0.196 421 E C 2.102 178.816 176.600 0.191 0.000 0.993 421 E CA 1.417 57.933 56.400 0.194 0.000 0.819 421 E CB -0.735 29.005 29.700 0.067 0.000 0.745 421 E HN 0.686 nan 8.360 nan 0.000 0.477 422 V N -0.728 119.249 119.914 0.104 0.000 2.720 422 V HA -0.193 3.926 4.120 -0.002 0.000 0.256 422 V C 1.244 177.341 176.094 0.006 0.000 1.082 422 V CA 1.829 64.102 62.300 -0.045 0.000 1.101 422 V CB -0.883 30.905 31.823 -0.058 0.000 0.693 422 V HN 0.082 nan 8.190 nan 0.000 0.479 423 N N -0.324 118.442 118.700 0.110 0.000 2.521 423 N HA 0.196 4.935 4.740 -0.002 0.000 0.188 423 N C 0.169 175.452 175.510 -0.378 0.000 1.146 423 N CA 0.662 53.675 53.050 -0.062 0.000 0.893 423 N CB -0.103 38.330 38.487 -0.091 0.000 0.975 423 N HN 0.626 nan 8.380 nan 0.000 0.451 424 F N -0.623 119.340 119.950 0.021 0.000 2.879 424 F HA 0.437 4.963 4.527 -0.001 0.000 0.354 424 F C 1.213 177.004 175.800 -0.016 0.000 1.291 424 F CA -0.579 57.423 58.000 0.004 0.000 1.238 424 F CB 1.057 40.060 39.000 0.004 0.000 1.005 424 F HN -0.018 nan 8.300 nan 0.000 0.508 425 G N -0.396 108.434 108.800 0.051 0.000 2.425 425 G HA2 -0.229 3.730 3.960 -0.002 0.000 0.177 425 G HA3 -0.229 3.730 3.960 -0.002 0.000 0.177 425 G C 0.742 175.603 174.900 -0.066 0.000 0.999 425 G CA -0.070 45.041 45.100 0.018 0.000 0.723 425 G HN 0.322 nan 8.290 nan 0.000 0.491 426 L N 0.228 121.338 121.223 -0.187 0.000 2.217 426 L HA 0.372 4.711 4.340 -0.002 0.000 0.211 426 L C 0.752 177.393 176.870 -0.382 0.000 1.107 426 L CA 1.363 55.966 54.840 -0.394 0.000 0.783 426 L CB -0.105 41.542 42.059 -0.686 0.000 0.919 426 L HN 0.288 nan 8.230 nan 0.000 0.442 427 Y N 0.151 120.459 120.300 0.013 0.000 2.495 427 Y HA 0.410 4.959 4.550 -0.001 0.000 0.362 427 Y C -2.153 173.756 175.900 0.015 0.000 0.956 427 Y CA -3.897 54.210 58.100 0.012 0.000 1.127 427 Y CB -0.877 37.603 38.460 0.034 0.000 1.173 427 Y HN 0.067 nan 8.280 nan 0.000 0.639 428 P HA 0.021 nan 4.420 nan 0.000 0.267 428 P C 0.282 177.655 177.300 0.122 0.000 1.200 428 P CA 0.084 63.249 63.100 0.107 0.000 0.772 428 P CB 1.030 32.787 31.700 0.095 0.000 0.855 429 M N 2.006 121.667 119.600 0.102 0.000 2.055 429 M HA 0.156 4.635 4.480 -0.002 0.000 0.279 429 M C 1.407 177.827 176.300 0.198 0.000 1.236 429 M CA -0.445 54.918 55.300 0.106 0.000 1.074 429 M CB -0.368 32.242 32.600 0.017 0.000 1.394 429 M HN 0.106 nan 8.290 nan 0.000 0.492 430 V N -2.552 117.520 119.914 0.263 0.000 3.444 430 V HA -0.090 4.029 4.120 -0.002 0.000 0.271 430 V C 1.872 178.168 176.094 0.336 0.000 1.188 430 V CA 1.447 63.952 62.300 0.342 0.000 1.168 430 V CB -2.077 29.965 31.823 0.365 0.000 0.810 430 V HN 1.076 nan 8.190 nan 0.000 0.500 431 T N -2.887 111.834 114.554 0.278 0.000 3.118 431 T HA -0.027 4.322 4.350 -0.002 0.000 0.260 431 T C 1.004 175.750 174.700 0.078 0.000 1.139 431 T CA 1.128 63.302 62.100 0.123 0.000 1.085 431 T CB -0.920 68.017 68.868 0.116 0.000 0.934 431 T HN 0.809 nan 8.240 nan 0.000 0.518 432 H N -0.442 118.693 119.070 0.109 0.000 3.642 432 H HA -0.130 4.425 4.556 -0.002 0.000 0.185 432 H C -0.136 175.232 175.328 0.066 0.000 0.992 432 H CA 0.436 56.538 56.048 0.090 0.000 1.216 432 H CB -1.596 28.219 29.762 0.089 0.000 1.055 432 H HN 0.526 nan 8.280 nan 0.000 0.351 433 Q N 1.687 121.581 119.800 0.157 0.000 2.227 433 Q HA 0.422 4.761 4.340 -0.002 0.000 0.245 433 Q C 0.363 176.391 176.000 0.047 0.000 0.926 433 Q CA -0.064 55.786 55.803 0.078 0.000 0.895 433 Q CB 1.680 30.432 28.738 0.023 0.000 1.230 433 Q HN 0.313 nan 8.270 nan 0.000 0.450 434 S N 0.849 116.562 115.700 0.022 0.000 2.576 434 S HA 0.079 4.548 4.470 -0.002 0.000 0.272 434 S C 0.733 175.293 174.600 -0.067 0.000 1.352 434 S CA -0.323 57.870 58.200 -0.011 0.000 1.021 434 S CB 0.921 64.091 63.200 -0.050 0.000 0.887 434 S HN 0.655 nan 8.310 nan 0.000 0.542 435 R N 0.592 121.057 120.500 -0.058 0.000 2.096 435 R HA 0.022 4.361 4.340 -0.002 0.000 0.235 435 R C 2.087 178.232 176.300 -0.258 0.000 1.127 435 R CA 1.400 57.438 56.100 -0.103 0.000 0.968 435 R CB -0.651 29.663 30.300 0.023 0.000 0.861 435 R HN 0.642 nan 8.270 nan 0.000 0.440 436 L N 0.027 121.027 121.223 -0.371 0.000 2.056 436 L HA -0.143 4.197 4.340 -0.002 0.000 0.207 436 L C 2.645 179.315 176.870 -0.334 0.000 1.078 436 L CA 1.145 55.642 54.840 -0.571 0.000 0.749 436 L CB -0.540 41.092 42.059 -0.711 0.000 0.901 436 L HN 0.257 nan 8.230 nan 0.000 0.433 437 A N -0.067 122.647 122.820 -0.176 0.000 1.902 437 A HA -0.243 4.076 4.320 -0.002 0.000 0.217 437 A C 2.445 179.958 177.584 -0.119 0.000 1.181 437 A CA 1.599 53.603 52.037 -0.055 0.000 0.623 437 A CB -0.576 18.424 19.000 0.001 0.000 0.818 437 A HN 0.288 nan 8.150 nan 0.000 0.443 438 R N 0.241 120.627 120.500 -0.190 0.000 2.073 438 R HA -0.148 4.191 4.340 -0.002 0.000 0.234 438 R C 2.286 178.313 176.300 -0.455 0.000 1.134 438 R CA 1.973 57.909 56.100 -0.273 0.000 0.952 438 R CB -0.655 29.491 30.300 -0.257 0.000 0.850 438 R HN 0.595 nan 8.270 nan 0.000 0.433 439 R N -0.761 119.437 120.500 -0.503 0.000 2.103 439 R HA -0.142 4.197 4.340 -0.002 0.000 0.242 439 R C 1.012 176.893 176.300 -0.699 0.000 1.142 439 R CA 1.800 57.485 56.100 -0.691 0.000 0.960 439 R CB -0.184 29.562 30.300 -0.924 0.000 0.858 439 R HN 0.179 nan 8.270 nan 0.000 0.439 440 F N -0.677 119.123 119.950 -0.250 0.000 2.639 440 F HA 0.234 4.760 4.527 -0.001 0.000 0.300 440 F C -0.412 175.398 175.800 0.018 0.000 1.109 440 F CA -0.709 57.229 58.000 -0.105 0.000 1.335 440 F CB -0.096 38.868 39.000 -0.060 0.000 1.014 440 F HN -0.027 nan 8.300 nan 0.000 0.537 441 Y N 0.000 120.348 120.300 0.080 0.000 3.825 441 Y HA -0.339 4.210 4.550 -0.002 0.000 0.221 441 Y C 0.874 176.812 175.900 0.064 0.000 1.195 441 Y CA 0.373 58.505 58.100 0.052 0.000 1.699 441 Y CB -2.601 35.887 38.460 0.047 0.000 1.531 441 Y HN 0.400 nan 8.280 nan 0.000 0.640 442 E N -2.548 117.748 120.200 0.161 0.000 3.170 442 E HA -0.295 4.054 4.350 -0.002 0.000 0.284 442 E C -0.029 176.648 176.600 0.128 0.000 0.967 442 E CA 0.913 57.392 56.400 0.131 0.000 0.919 442 E CB -0.971 28.793 29.700 0.105 0.000 1.469 442 E HN 0.730 nan 8.360 nan 0.000 0.444 443 E N 0.511 120.804 120.200 0.155 0.000 2.324 443 E HA 0.049 4.398 4.350 -0.002 0.000 0.271 443 E C 1.551 178.177 176.600 0.043 0.000 1.028 443 E CA 0.628 57.085 56.400 0.095 0.000 0.890 443 E CB 0.727 30.488 29.700 0.100 0.000 1.004 443 E HN 0.320 nan 8.360 nan 0.000 0.431 444 T N 0.479 115.047 114.554 0.023 0.000 2.904 444 T HA -0.135 4.215 4.350 -0.002 0.000 0.267 444 T C 1.314 175.995 174.700 -0.032 0.000 1.059 444 T CA 0.574 62.677 62.100 0.006 0.000 1.137 444 T CB 0.104 68.975 68.868 0.006 0.000 0.879 444 T HN 0.277 nan 8.240 nan 0.000 0.467 445 E N 2.025 122.196 120.200 -0.049 0.000 2.038 445 E HA -0.052 4.297 4.350 -0.002 0.000 0.195 445 E C -0.098 176.414 176.600 -0.146 0.000 1.000 445 E CA 1.584 57.938 56.400 -0.078 0.000 0.803 445 E CB -1.426 28.234 29.700 -0.067 0.000 0.750 445 E HN 0.499 nan 8.360 nan 0.000 0.448 446 P HA -0.058 nan 4.420 nan 0.000 0.220 446 P C 1.841 178.877 177.300 -0.441 0.000 1.152 446 P CA 0.896 63.695 63.100 -0.502 0.000 0.812 446 P CB -0.038 31.082 31.700 -0.967 0.000 0.792 447 L N -0.141 120.955 121.223 -0.212 0.000 2.056 447 L HA -0.129 4.210 4.340 -0.002 0.000 0.207 447 L C 2.230 179.123 176.870 0.037 0.000 1.078 447 L CA 1.499 56.355 54.840 0.027 0.000 0.749 447 L CB -0.954 41.186 42.059 0.136 0.000 0.901 447 L HN -0.097 nan 8.230 nan 0.000 0.433 448 D N 0.122 120.506 120.400 -0.028 0.000 2.144 448 D HA -0.153 4.486 4.640 -0.002 0.000 0.199 448 D C 2.221 178.493 176.300 -0.047 0.000 0.984 448 D CA 1.423 55.398 54.000 -0.043 0.000 0.834 448 D CB -0.033 40.739 40.800 -0.047 0.000 0.955 448 D HN 0.304 nan 8.370 nan 0.000 0.465 449 A N 0.634 123.415 122.820 -0.064 0.000 1.902 449 A HA -0.148 4.171 4.320 -0.002 0.000 0.217 449 A C 2.454 180.031 177.584 -0.012 0.000 1.181 449 A CA 2.189 54.194 52.037 -0.055 0.000 0.623 449 A CB -0.791 18.154 19.000 -0.092 0.000 0.818 449 A HN 0.238 nan 8.150 nan 0.000 0.443 450 V N -2.255 117.673 119.914 0.024 0.000 2.591 450 V HA -0.078 4.041 4.120 -0.002 0.000 0.249 450 V C 2.297 178.497 176.094 0.177 0.000 1.053 450 V CA 1.875 64.256 62.300 0.135 0.000 1.068 450 V CB -0.965 30.982 31.823 0.206 0.000 0.689 450 V HN 0.533 nan 8.190 nan 0.000 0.462 451 R N 0.761 121.304 120.500 0.073 0.000 2.105 451 R HA -0.130 4.210 4.340 -0.002 0.000 0.239 451 R C 2.448 178.663 176.300 -0.141 0.000 1.135 451 R CA 1.805 57.758 56.100 -0.245 0.000 0.967 451 R CB -0.431 29.604 30.300 -0.442 0.000 0.861 451 R HN 0.584 nan 8.270 nan 0.000 0.442 452 S N 0.168 115.825 115.700 -0.071 0.000 2.419 452 S HA -0.083 4.386 4.470 -0.002 0.000 0.235 452 S C 1.360 175.949 174.600 -0.019 0.000 1.019 452 S CA 1.143 59.313 58.200 -0.050 0.000 0.982 452 S CB -0.071 63.107 63.200 -0.035 0.000 0.789 452 S HN 0.385 nan 8.310 nan 0.000 0.490 453 R N 0.194 120.703 120.500 0.015 0.000 2.427 453 R HA 0.335 4.674 4.340 -0.002 0.000 0.262 453 R C -0.188 176.154 176.300 0.070 0.000 0.943 453 R CA -0.186 55.940 56.100 0.043 0.000 1.081 453 R CB 0.055 30.390 30.300 0.059 0.000 1.166 453 R HN 0.327 nan 8.270 nan 0.000 0.534 454 I N 1.081 121.687 120.570 0.060 0.000 2.826 454 I HA -0.188 3.981 4.170 -0.002 0.000 0.295 454 I C 1.395 177.549 176.117 0.062 0.000 1.213 454 I CA 1.443 62.796 61.300 0.088 0.000 1.436 454 I CB 0.474 38.496 38.000 0.036 0.000 1.348 454 I HN 0.570 nan 8.210 nan 0.000 0.570 455 G N 4.113 112.960 108.800 0.078 0.000 2.225 455 G HA2 -0.260 3.699 3.960 -0.002 0.000 0.254 455 G HA3 -0.260 3.699 3.960 -0.002 0.000 0.254 455 G C 0.237 175.161 174.900 0.040 0.000 0.988 455 G CA -0.267 44.863 45.100 0.049 0.000 0.625 455 G HN 0.624 nan 8.290 nan 0.000 0.527 456 Q N 0.354 120.183 119.800 0.049 0.000 2.299 456 Q HA 0.622 4.961 4.340 -0.002 0.000 0.246 456 Q C 0.427 176.456 176.000 0.049 0.000 0.935 456 Q CA 0.078 55.905 55.803 0.040 0.000 0.887 456 Q CB 1.429 30.190 28.738 0.039 0.000 1.223 456 Q HN 0.677 nan 8.270 nan 0.000 0.439 457 A N 3.914 126.754 122.820 0.034 0.000 2.539 457 A HA 0.255 4.574 4.320 -0.002 0.000 0.306 457 A C -0.170 177.439 177.584 0.043 0.000 1.392 457 A CA -0.307 51.752 52.037 0.036 0.000 1.060 457 A CB -0.623 18.389 19.000 0.019 0.000 1.134 457 A HN 0.664 nan 8.150 nan 0.000 0.542 458 I N 3.700 124.307 120.570 0.061 0.000 2.379 458 I HA 0.128 4.297 4.170 -0.002 0.000 0.290 458 I C 0.452 176.601 176.117 0.053 0.000 1.063 458 I CA -0.282 61.055 61.300 0.062 0.000 1.351 458 I CB 0.678 38.730 38.000 0.087 0.000 1.410 458 I HN 0.495 nan 8.210 nan 0.000 0.505 459 K N 7.418 127.842 120.400 0.041 0.000 2.127 459 K HA 0.333 4.653 4.320 -0.002 0.000 0.240 459 K C -1.668 174.954 176.600 0.037 0.000 1.024 459 K CA -1.709 54.598 56.287 0.032 0.000 0.918 459 K CB 0.493 33.006 32.500 0.022 0.000 1.108 459 K HN 0.109 nan 8.250 nan 0.000 0.485 460 P HA -0.145 nan 4.420 nan 0.000 0.215 460 P C 1.478 178.807 177.300 0.047 0.000 1.157 460 P CA 0.909 64.035 63.100 0.043 0.000 0.868 460 P CB 0.199 31.926 31.700 0.044 0.000 0.788 461 V N -0.107 119.831 119.914 0.040 0.000 2.295 461 V HA -0.235 3.884 4.120 -0.002 0.000 0.246 461 V C 2.538 178.655 176.094 0.037 0.000 1.049 461 V CA 2.128 64.451 62.300 0.038 0.000 1.024 461 V CB -1.149 30.692 31.823 0.031 0.000 0.648 461 V HN 0.124 nan 8.190 nan 0.000 0.447 462 E N 0.608 120.829 120.200 0.036 0.000 2.106 462 E HA -0.156 4.193 4.350 -0.002 0.000 0.192 462 E C 2.121 178.751 176.600 0.050 0.000 0.984 462 E CA 1.504 57.927 56.400 0.037 0.000 0.806 462 E CB -0.448 29.273 29.700 0.035 0.000 0.750 462 E HN 0.513 nan 8.360 nan 0.000 0.458 463 A N 1.029 123.884 122.820 0.059 0.000 1.908 463 A HA -0.225 4.094 4.320 -0.002 0.000 0.218 463 A C 2.235 179.864 177.584 0.074 0.000 1.181 463 A CA 1.763 53.847 52.037 0.078 0.000 0.627 463 A CB -0.689 18.355 19.000 0.074 0.000 0.818 463 A HN 0.326 nan 8.150 nan 0.000 0.445 464 E N 0.048 120.281 120.200 0.056 0.000 2.077 464 E HA -0.213 4.136 4.350 -0.002 0.000 0.193 464 E C 2.249 178.878 176.600 0.048 0.000 0.989 464 E CA 1.211 57.639 56.400 0.046 0.000 0.800 464 E CB -0.285 29.438 29.700 0.039 0.000 0.746 464 E HN 0.624 nan 8.360 nan 0.000 0.452 465 R N 0.190 120.714 120.500 0.041 0.000 2.096 465 R HA -0.066 4.273 4.340 -0.002 0.000 0.235 465 R C 2.483 178.800 176.300 0.028 0.000 1.127 465 R CA 1.002 57.120 56.100 0.030 0.000 0.968 465 R CB -0.180 30.134 30.300 0.022 0.000 0.861 465 R HN 0.184 nan 8.270 nan 0.000 0.440 466 L N -0.354 120.894 121.223 0.041 0.000 2.552 466 L HA 0.129 4.468 4.340 -0.002 0.000 0.227 466 L C 1.209 178.134 176.870 0.092 0.000 1.146 466 L CA 0.645 55.503 54.840 0.030 0.000 0.858 466 L CB 0.169 42.256 42.059 0.048 0.000 0.969 466 L HN 0.594 nan 8.230 nan 0.000 0.451 467 G N -0.136 108.748 108.800 0.140 0.000 2.143 467 G HA2 -0.295 3.664 3.960 -0.002 0.000 0.248 467 G HA3 -0.295 3.664 3.960 -0.002 0.000 0.248 467 G C 0.763 175.833 174.900 0.283 0.000 0.991 467 G CA 0.317 45.561 45.100 0.241 0.000 0.689 467 G HN 0.336 nan 8.290 nan 0.000 0.522 468 L N -0.412 120.949 121.223 0.231 0.000 2.395 468 L HA 0.273 4.612 4.340 -0.002 0.000 0.218 468 L C 1.537 178.493 176.870 0.143 0.000 1.130 468 L CA 1.218 56.182 54.840 0.207 0.000 0.826 468 L CB -0.082 42.130 42.059 0.255 0.000 0.941 468 L HN 0.520 nan 8.230 nan 0.000 0.451 469 V N -6.891 113.058 119.914 0.058 0.000 3.102 469 V HA 0.370 4.489 4.120 -0.002 0.000 0.312 469 V C 0.829 176.866 176.094 -0.096 0.000 1.135 469 V CA -0.622 61.657 62.300 -0.035 0.000 1.022 469 V CB 1.445 33.244 31.823 -0.040 0.000 1.056 469 V HN -0.093 nan 8.190 nan 0.000 0.436 470 T N 1.029 115.447 114.554 -0.228 0.000 2.812 470 T HA 0.482 4.831 4.350 -0.002 0.000 0.264 470 T C 0.623 175.195 174.700 -0.213 0.000 1.042 470 T CA 1.686 63.614 62.100 -0.287 0.000 1.140 470 T CB -0.063 68.475 68.868 -0.551 0.000 0.870 470 T HN 1.591 nan 8.240 nan 0.000 0.445 471 A N -0.131 122.566 122.820 -0.205 0.000 2.608 471 A HA 0.646 4.965 4.320 -0.002 0.000 0.292 471 A C -0.958 176.672 177.584 0.077 0.000 1.066 471 A CA -0.693 51.328 52.037 -0.028 0.000 0.676 471 A CB 1.241 20.266 19.000 0.042 0.000 1.277 471 A HN 0.003 nan 8.150 nan 0.000 0.413 472 S N 2.387 118.157 115.700 0.117 0.000 2.080 472 S HA 0.478 4.947 4.470 -0.002 0.000 0.162 472 S C -2.797 171.923 174.600 0.200 0.000 1.618 472 S CA -0.794 57.510 58.200 0.173 0.000 1.200 472 S CB 0.346 63.612 63.200 0.111 0.000 1.135 472 S HN 0.518 nan 8.310 nan 0.000 0.455 473 P HA 0.127 nan 4.420 nan 0.000 0.268 473 P C -0.097 177.369 177.300 0.278 0.000 1.205 473 P CA -0.285 62.960 63.100 0.240 0.000 0.771 473 P CB 0.409 32.232 31.700 0.204 0.000 0.858 474 D N 1.178 121.682 120.400 0.173 0.000 2.414 474 D HA -0.039 4.600 4.640 -0.002 0.000 0.259 474 D C 0.810 177.199 176.300 0.149 0.000 1.269 474 D CA -0.271 53.806 54.000 0.128 0.000 1.028 474 D CB 0.059 40.905 40.800 0.077 0.000 1.093 474 D HN 0.377 nan 8.370 nan 0.000 0.545 475 D N -0.583 119.863 120.400 0.077 0.000 2.312 475 D HA -0.126 4.513 4.640 -0.002 0.000 0.211 475 D C 1.681 178.035 176.300 0.089 0.000 0.964 475 D CA 0.349 54.384 54.000 0.059 0.000 0.877 475 D CB 0.035 40.835 40.800 0.001 0.000 0.924 475 D HN 0.272 nan 8.370 nan 0.000 0.515 476 I N 1.529 122.147 120.570 0.081 0.000 2.480 476 I HA -0.094 4.075 4.170 -0.002 0.000 0.251 476 I C 1.315 177.482 176.117 0.084 0.000 1.124 476 I CA 0.785 62.126 61.300 0.069 0.000 1.444 476 I CB -0.543 37.486 38.000 0.047 0.000 1.098 476 I HN -0.134 nan 8.210 nan 0.000 0.428 477 D N -0.359 120.102 120.400 0.100 0.000 2.305 477 D HA -0.134 4.505 4.640 -0.002 0.000 0.206 477 D C 1.913 178.264 176.300 0.085 0.000 0.974 477 D CA 0.196 54.241 54.000 0.075 0.000 0.871 477 D CB -0.150 40.686 40.800 0.060 0.000 0.947 477 D HN 0.362 nan 8.370 nan 0.000 0.516 478 W N 2.578 123.860 121.300 -0.030 0.000 2.332 478 W HA -0.251 4.408 4.660 -0.001 0.000 0.321 478 W C 2.033 178.509 176.519 -0.072 0.000 1.219 478 W CA 2.223 59.536 57.345 -0.053 0.000 1.277 478 W CB -0.471 28.971 29.460 -0.030 0.000 1.161 478 W HN -0.004 nan 8.180 nan 0.000 0.476 479 A N 0.893 123.848 122.820 0.224 0.000 1.873 479 A HA -0.276 4.043 4.320 -0.002 0.000 0.218 479 A C 1.719 179.266 177.584 -0.061 0.000 1.193 479 A CA 2.431 54.539 52.037 0.118 0.000 0.629 479 A CB -1.208 17.876 19.000 0.140 0.000 0.826 479 A HN 0.313 nan 8.150 nan 0.000 0.447 480 D N -1.112 119.257 120.400 -0.053 0.000 2.149 480 D HA -0.095 4.544 4.640 -0.002 0.000 0.201 480 D C 1.923 178.131 176.300 -0.154 0.000 0.972 480 D CA 1.371 55.326 54.000 -0.075 0.000 0.835 480 D CB -0.328 40.449 40.800 -0.039 0.000 0.966 480 D HN 0.734 nan 8.370 nan 0.000 0.476 481 E N -0.114 119.949 120.200 -0.228 0.000 2.077 481 E HA -0.156 4.194 4.350 -0.002 0.000 0.193 481 E C 1.856 178.155 176.600 -0.501 0.000 0.989 481 E CA 0.764 56.973 56.400 -0.319 0.000 0.800 481 E CB 0.053 29.555 29.700 -0.330 0.000 0.746 481 E HN 0.068 nan 8.360 nan 0.000 0.452 482 I N 0.823 120.978 120.570 -0.691 0.000 2.286 482 I HA -0.155 4.014 4.170 -0.002 0.000 0.245 482 I C 2.551 178.492 176.117 -0.294 0.000 1.104 482 I CA 1.054 61.926 61.300 -0.713 0.000 1.397 482 I CB -0.511 36.919 38.000 -0.951 0.000 1.072 482 I HN 0.054 nan 8.210 nan 0.000 0.417 483 R N 0.858 121.236 120.500 -0.203 0.000 2.083 483 R HA -0.172 4.167 4.340 -0.002 0.000 0.237 483 R C 2.322 178.584 176.300 -0.064 0.000 1.137 483 R CA 1.767 57.814 56.100 -0.088 0.000 0.951 483 R CB -0.351 29.918 30.300 -0.053 0.000 0.851 483 R HN 0.280 nan 8.270 nan 0.000 0.434 484 I N 0.650 121.172 120.570 -0.081 0.000 2.252 484 I HA -0.216 3.953 4.170 -0.002 0.000 0.245 484 I C 2.598 178.709 176.117 -0.011 0.000 1.102 484 I CA 1.174 62.447 61.300 -0.044 0.000 1.385 484 I CB -0.395 37.576 38.000 -0.048 0.000 1.064 484 I HN 0.313 nan 8.210 nan 0.000 0.414 485 A N 0.926 123.739 122.820 -0.011 0.000 1.908 485 A HA -0.191 4.128 4.320 -0.002 0.000 0.218 485 A C 2.286 179.981 177.584 0.185 0.000 1.181 485 A CA 1.610 53.727 52.037 0.133 0.000 0.627 485 A CB -0.855 18.246 19.000 0.168 0.000 0.818 485 A HN 0.403 nan 8.150 nan 0.000 0.445 486 L N -1.103 120.178 121.223 0.098 0.000 2.109 486 L HA -0.142 4.197 4.340 -0.002 0.000 0.207 486 L C 2.566 179.410 176.870 -0.043 0.000 1.086 486 L CA 1.289 56.114 54.840 -0.026 0.000 0.760 486 L CB -0.508 41.532 42.059 -0.031 0.000 0.910 486 L HN 0.455 nan 8.230 nan 0.000 0.437 487 E N 0.215 120.405 120.200 -0.017 0.000 2.077 487 E HA -0.245 4.104 4.350 -0.002 0.000 0.193 487 E C 2.051 178.644 176.600 -0.012 0.000 0.989 487 E CA 1.332 57.723 56.400 -0.016 0.000 0.800 487 E CB -0.025 29.668 29.700 -0.011 0.000 0.746 487 E HN 0.513 nan 8.360 nan 0.000 0.452 488 E N 0.358 120.561 120.200 0.004 0.000 2.110 488 E HA -0.191 4.158 4.350 -0.002 0.000 0.193 488 E C 2.127 178.726 176.600 -0.001 0.000 0.988 488 E CA 0.659 57.066 56.400 0.012 0.000 0.804 488 E CB 0.004 29.726 29.700 0.036 0.000 0.745 488 E HN -0.048 nan 8.360 nan 0.000 0.458 489 R N 0.616 121.102 120.500 -0.023 0.000 2.120 489 R HA -0.063 4.276 4.340 -0.002 0.000 0.234 489 R C 1.913 178.166 176.300 -0.078 0.000 1.123 489 R CA 1.393 57.444 56.100 -0.080 0.000 0.975 489 R CB -0.369 29.789 30.300 -0.236 0.000 0.866 489 R HN 0.175 nan 8.270 nan 0.000 0.446 490 A N -0.834 121.948 122.820 -0.064 0.000 2.021 490 A HA 0.176 4.495 4.320 -0.002 0.000 0.216 490 A C 2.053 179.621 177.584 -0.027 0.000 1.163 490 A CA 1.142 53.151 52.037 -0.047 0.000 0.676 490 A CB -0.334 18.643 19.000 -0.038 0.000 0.818 490 A HN 0.356 nan 8.150 nan 0.000 0.453 491 A N -0.895 121.913 122.820 -0.019 0.000 2.030 491 A HA 0.378 4.697 4.320 -0.002 0.000 0.215 491 A C 1.263 178.842 177.584 -0.008 0.000 1.164 491 A CA 0.170 52.202 52.037 -0.010 0.000 0.697 491 A CB -0.272 18.725 19.000 -0.005 0.000 0.827 491 A HN 0.508 nan 8.150 nan 0.000 0.457 492 M N -0.005 119.590 119.600 -0.010 0.000 2.202 492 M HA 0.160 4.639 4.480 -0.002 0.000 0.316 492 M C 0.699 176.994 176.300 -0.009 0.000 1.138 492 M CA -0.171 55.126 55.300 -0.006 0.000 1.151 492 M CB 0.858 33.457 32.600 -0.003 0.000 1.422 492 M HN 0.225 nan 8.290 nan 0.000 0.471 493 S N 2.363 118.061 115.700 -0.004 0.000 2.516 493 S HA 0.124 4.593 4.470 -0.002 0.000 0.282 493 S C -1.424 173.171 174.600 -0.008 0.000 1.286 493 S CA -1.439 56.759 58.200 -0.003 0.000 1.066 493 S CB 0.425 63.626 63.200 0.001 0.000 0.884 493 S HN 0.445 nan 8.310 nan 0.000 0.491 494 P HA -0.098 nan 4.420 nan 0.000 0.218 494 P C 0.558 177.853 177.300 -0.008 0.000 1.148 494 P CA 1.068 64.158 63.100 -0.017 0.000 0.822 494 P CB 0.058 31.750 31.700 -0.012 0.000 0.784 495 D N 0.563 120.966 120.400 0.006 0.000 2.097 495 D HA -0.111 4.528 4.640 -0.002 0.000 0.195 495 D C 2.194 178.497 176.300 0.006 0.000 0.989 495 D CA 1.727 55.736 54.000 0.015 0.000 0.827 495 D CB -0.914 39.899 40.800 0.022 0.000 0.966 495 D HN 0.141 nan 8.370 nan 0.000 0.456 496 A N 0.413 123.234 122.820 0.002 0.000 1.930 496 A HA -0.053 4.266 4.320 -0.002 0.000 0.217 496 A C 2.352 179.935 177.584 -0.003 0.000 1.175 496 A CA 0.700 52.737 52.037 0.000 0.000 0.627 496 A CB -0.664 18.336 19.000 0.001 0.000 0.815 496 A HN 0.177 nan 8.150 nan 0.000 0.443 497 L N -0.819 120.398 121.223 -0.009 0.000 2.056 497 L HA -0.147 4.193 4.340 -0.002 0.000 0.207 497 L C 2.775 179.633 176.870 -0.020 0.000 1.078 497 L CA 1.764 56.595 54.840 -0.015 0.000 0.749 497 L CB -0.840 41.200 42.059 -0.032 0.000 0.901 497 L HN 0.324 nan 8.230 nan 0.000 0.433 498 T N -0.453 114.086 114.554 -0.026 0.000 2.746 498 T HA -0.122 4.227 4.350 -0.002 0.000 0.267 498 T C 1.804 176.499 174.700 -0.009 0.000 1.039 498 T CA 1.313 63.395 62.100 -0.030 0.000 1.142 498 T CB -0.495 68.355 68.868 -0.030 0.000 0.866 498 T HN 0.560 nan 8.240 nan 0.000 0.444 499 G N 1.326 110.124 108.800 -0.003 0.000 2.418 499 G HA2 -0.127 3.833 3.960 -0.002 0.000 0.217 499 G HA3 -0.127 3.833 3.960 -0.002 0.000 0.217 499 G C 1.526 176.431 174.900 0.008 0.000 1.158 499 G CA 0.730 45.829 45.100 -0.001 0.000 0.771 499 G HN 0.424 nan 8.290 nan 0.000 0.545 500 L N 0.622 121.850 121.223 0.009 0.000 2.017 500 L HA 0.044 4.383 4.340 -0.002 0.000 0.208 500 L C 2.637 179.525 176.870 0.029 0.000 1.073 500 L CA 2.225 57.075 54.840 0.017 0.000 0.745 500 L CB -0.663 41.404 42.059 0.014 0.000 0.894 500 L HN 0.340 nan 8.230 nan 0.000 0.432 501 E N -0.261 119.952 120.200 0.023 0.000 2.118 501 E HA -0.221 4.128 4.350 -0.002 0.000 0.195 501 E C 2.149 178.802 176.600 0.087 0.000 0.992 501 E CA 1.235 57.654 56.400 0.032 0.000 0.804 501 E CB -0.374 29.326 29.700 0.001 0.000 0.741 501 E HN 0.670 nan 8.360 nan 0.000 0.458 502 A N 1.071 123.945 122.820 0.090 0.000 2.067 502 A HA -0.151 4.168 4.320 -0.002 0.000 0.219 502 A C 1.781 179.484 177.584 0.198 0.000 1.158 502 A CA 1.151 53.279 52.037 0.151 0.000 0.661 502 A CB -0.206 18.818 19.000 0.041 0.000 0.801 502 A HN 0.166 nan 8.150 nan 0.000 0.452 503 N N -0.451 118.321 118.700 0.119 0.000 2.387 503 N HA 0.093 4.832 4.740 -0.002 0.000 0.176 503 N C 1.629 177.205 175.510 0.110 0.000 1.022 503 N CA 0.751 53.868 53.050 0.112 0.000 0.883 503 N CB -0.049 38.473 38.487 0.059 0.000 1.019 503 N HN 0.415 nan 8.380 nan 0.000 0.435 504 L N 1.011 122.277 121.223 0.072 0.000 2.109 504 L HA 0.003 4.342 4.340 -0.002 0.000 0.207 504 L C 2.340 179.195 176.870 -0.025 0.000 1.086 504 L CA 0.793 55.653 54.840 0.033 0.000 0.760 504 L CB -0.207 41.861 42.059 0.015 0.000 0.910 504 L HN 0.044 nan 8.230 nan 0.000 0.437 505 R N -0.363 120.108 120.500 -0.048 0.000 2.115 505 R HA -0.055 4.284 4.340 -0.002 0.000 0.226 505 R C 0.236 176.238 176.300 -0.497 0.000 1.100 505 R CA 0.871 56.810 56.100 -0.270 0.000 0.980 505 R CB -0.048 30.066 30.300 -0.310 0.000 0.875 505 R HN 0.115 nan 8.270 nan 0.000 0.445 506 F N 2.399 122.338 119.950 -0.018 0.000 2.441 506 F HA 0.129 4.655 4.527 -0.002 0.000 0.337 506 F C 0.602 176.412 175.800 0.016 0.000 1.182 506 F CA -0.878 57.120 58.000 -0.004 0.000 1.279 506 F CB 0.234 39.238 39.000 0.007 0.000 1.614 506 F HN 0.040 nan 8.300 nan 0.000 0.574 507 N N -0.226 118.500 118.700 0.043 0.000 2.313 507 N HA 0.279 5.018 4.740 -0.002 0.000 0.207 507 N C 0.879 176.512 175.510 0.205 0.000 1.141 507 N CA 0.466 53.586 53.050 0.117 0.000 0.830 507 N CB 0.533 39.043 38.487 0.039 0.000 1.008 507 N HN 0.562 nan 8.380 nan 0.000 0.481 508 G N 0.189 109.081 108.800 0.153 0.000 3.858 508 G HA2 0.109 4.068 3.960 -0.002 0.000 0.114 508 G HA3 0.109 4.068 3.960 -0.002 0.000 0.114 508 G C -2.421 172.541 174.900 0.103 0.000 1.120 508 G CA -0.313 44.871 45.100 0.140 0.000 1.226 508 G HN 0.375 nan 8.290 nan 0.000 0.471 509 P HA 0.474 nan 4.420 nan 0.000 0.275 509 P C -0.987 176.349 177.300 0.059 0.000 1.227 509 P CA 0.328 63.463 63.100 0.058 0.000 0.781 509 P CB 1.723 33.448 31.700 0.041 0.000 0.906 510 E N 0.814 121.027 120.200 0.022 0.000 2.244 510 E HA 0.511 4.860 4.350 -0.002 0.000 0.266 510 E C 0.023 176.586 176.600 -0.062 0.000 0.914 510 E CA -0.464 55.938 56.400 0.004 0.000 0.794 510 E CB 2.333 32.037 29.700 0.006 0.000 1.210 510 E HN 0.604 nan 8.360 nan 0.000 0.414 511 T N -2.523 111.978 114.554 -0.088 0.000 2.804 511 T HA 0.307 4.656 4.350 -0.002 0.000 0.290 511 T C 1.045 175.711 174.700 -0.057 0.000 1.099 511 T CA -0.745 61.268 62.100 -0.145 0.000 1.011 511 T CB 1.026 69.665 68.868 -0.382 0.000 1.291 511 T HN 0.465 nan 8.240 nan 0.000 0.523 512 M N 0.340 119.929 119.600 -0.017 0.000 2.149 512 M HA -0.122 4.357 4.480 -0.002 0.000 0.261 512 M C 1.641 177.915 176.300 -0.044 0.000 1.064 512 M CA 2.053 57.343 55.300 -0.016 0.000 1.102 512 M CB -0.400 32.204 32.600 0.008 0.000 1.369 512 M HN 0.779 nan 8.290 nan 0.000 0.408 513 E N -0.399 119.805 120.200 0.007 0.000 2.112 513 E HA -0.124 4.225 4.350 -0.002 0.000 0.190 513 E C 1.973 178.576 176.600 0.004 0.000 0.979 513 E CA 1.880 58.272 56.400 -0.013 0.000 0.814 513 E CB -0.522 29.268 29.700 0.150 0.000 0.762 513 E HN 0.670 nan 8.360 nan 0.000 0.460 514 T N -1.069 113.506 114.554 0.035 0.000 2.867 514 T HA -0.097 4.252 4.350 -0.002 0.000 0.268 514 T C 1.889 176.539 174.700 -0.084 0.000 1.057 514 T CA 0.820 62.900 62.100 -0.033 0.000 1.136 514 T CB -0.100 68.753 68.868 -0.025 0.000 0.874 514 T HN -0.013 nan 8.240 nan 0.000 0.466 515 R N 0.409 120.865 120.500 -0.073 0.000 2.092 515 R HA 0.203 4.542 4.340 -0.002 0.000 0.231 515 R C 2.516 178.748 176.300 -0.114 0.000 1.119 515 R CA 1.404 57.460 56.100 -0.073 0.000 0.970 515 R CB -0.528 29.740 30.300 -0.054 0.000 0.864 515 R HN 0.426 nan 8.270 nan 0.000 0.440 516 I N -0.195 120.251 120.570 -0.206 0.000 2.163 516 I HA -0.276 3.893 4.170 -0.002 0.000 0.243 516 I C 1.427 177.332 176.117 -0.354 0.000 1.085 516 I CA 1.415 62.513 61.300 -0.336 0.000 1.347 516 I CB -0.129 37.547 38.000 -0.540 0.000 1.044 516 I HN 0.074 nan 8.210 nan 0.000 0.408 517 F N 0.265 120.140 119.950 -0.125 0.000 2.710 517 F HA 0.105 4.631 4.527 -0.002 0.000 0.298 517 F C 1.920 177.614 175.800 -0.177 0.000 1.137 517 F CA 0.618 58.522 58.000 -0.160 0.000 1.444 517 F CB -0.804 38.056 39.000 -0.232 0.000 1.111 517 F HN -0.035 nan 8.300 nan 0.000 0.580 518 G N -0.542 108.240 108.800 -0.031 0.000 2.601 518 G HA2 0.050 4.009 3.960 -0.002 0.000 0.214 518 G HA3 0.050 4.009 3.960 -0.002 0.000 0.214 518 G C 1.458 176.355 174.900 -0.004 0.000 2.067 518 G CA 0.028 45.093 45.100 -0.058 0.000 0.774 518 G HN 0.047 nan 8.290 nan 0.000 0.729 519 R N -0.523 119.990 120.500 0.021 0.000 2.113 519 R HA -0.125 4.214 4.340 -0.002 0.000 0.244 519 R C 2.498 178.907 176.300 0.181 0.000 1.142 519 R CA 2.040 58.212 56.100 0.120 0.000 0.953 519 R CB -0.517 29.832 30.300 0.082 0.000 0.860 519 R HN 0.313 nan 8.270 nan 0.000 0.438 520 L N 0.145 121.407 121.223 0.065 0.000 2.007 520 L HA -0.071 4.268 4.340 -0.002 0.000 0.205 520 L C 2.139 179.046 176.870 0.062 0.000 1.073 520 L CA 2.194 57.065 54.840 0.051 0.000 0.744 520 L CB -0.828 41.211 42.059 -0.034 0.000 0.898 520 L HN 0.135 nan 8.230 nan 0.000 0.435 521 T N -0.018 114.545 114.554 0.015 0.000 2.788 521 T HA -0.122 4.227 4.350 -0.002 0.000 0.268 521 T C 1.849 176.568 174.700 0.032 0.000 1.044 521 T CA 1.270 63.380 62.100 0.016 0.000 1.139 521 T CB -0.445 68.451 68.868 0.047 0.000 0.867 521 T HN 0.518 nan 8.240 nan 0.000 0.454 522 A N 0.066 122.901 122.820 0.026 0.000 1.930 522 A HA -0.058 4.261 4.320 -0.002 0.000 0.217 522 A C 2.034 179.596 177.584 -0.037 0.000 1.175 522 A CA 1.085 53.104 52.037 -0.030 0.000 0.627 522 A CB -1.001 17.933 19.000 -0.111 0.000 0.815 522 A HN 0.660 nan 8.150 nan 0.000 0.443 523 W N -0.445 120.853 121.300 -0.003 0.000 2.358 523 W HA -0.152 4.507 4.660 -0.002 0.000 0.303 523 W C 2.611 179.164 176.519 0.057 0.000 1.208 523 W CA 1.604 58.968 57.345 0.032 0.000 1.274 523 W CB -0.218 29.226 29.460 -0.026 0.000 1.138 523 W HN 0.449 nan 8.180 nan 0.000 0.515 524 Q N 0.730 120.610 119.800 0.134 0.000 2.096 524 Q HA -0.218 4.121 4.340 -0.002 0.000 0.204 524 Q C 1.757 177.578 176.000 -0.298 0.000 0.982 524 Q CA 2.000 57.681 55.803 -0.204 0.000 0.850 524 Q CB -0.585 27.938 28.738 -0.358 0.000 0.901 524 Q HN 0.135 nan 8.270 nan 0.000 0.422 525 N N -0.696 117.979 118.700 -0.040 0.000 2.120 525 N HA -0.159 4.581 4.740 -0.002 0.000 0.188 525 N C 1.113 176.806 175.510 0.305 0.000 1.024 525 N CA 1.357 54.513 53.050 0.176 0.000 0.852 525 N CB -0.715 37.881 38.487 0.183 0.000 1.003 525 N HN 0.464 nan 8.380 nan 0.000 0.424 526 W N 1.785 123.104 121.300 0.032 0.000 2.358 526 W HA 0.018 4.677 4.660 -0.000 0.000 0.303 526 W C 1.882 178.448 176.519 0.078 0.000 1.208 526 W CA 0.968 58.322 57.345 0.014 0.000 1.274 526 W CB -0.374 29.012 29.460 -0.123 0.000 1.138 526 W HN -0.061 nan 8.180 nan 0.000 0.515 527 I N -0.241 120.404 120.570 0.126 0.000 2.226 527 I HA -0.322 3.847 4.170 -0.002 0.000 0.245 527 I C 2.155 178.287 176.117 0.025 0.000 1.100 527 I CA 1.072 62.330 61.300 -0.070 0.000 1.374 527 I CB -0.751 37.288 38.000 0.064 0.000 1.057 527 I HN -0.118 nan 8.210 nan 0.000 0.413 528 F N 0.644 120.634 119.950 0.066 0.000 2.408 528 F HA -0.155 4.371 4.527 -0.001 0.000 0.300 528 F C 1.901 177.755 175.800 0.090 0.000 1.090 528 F CA 1.101 59.178 58.000 0.129 0.000 1.427 528 F CB -1.189 37.964 39.000 0.255 0.000 1.070 528 F HN 0.202 nan 8.300 nan 0.000 0.549 529 N N -0.702 118.056 118.700 0.096 0.000 2.251 529 N HA 0.112 4.852 4.740 -0.002 0.000 0.217 529 N C -0.078 175.299 175.510 -0.221 0.000 1.124 529 N CA -0.035 52.888 53.050 -0.211 0.000 0.843 529 N CB 0.375 38.625 38.487 -0.395 0.000 1.024 529 N HN 0.053 nan 8.380 nan 0.000 0.501 530 R N -0.189 120.191 120.500 -0.200 0.000 2.807 530 R HA 0.302 4.641 4.340 -0.002 0.000 0.276 530 R C -1.852 174.381 176.300 -0.113 0.000 0.979 530 R CA -1.732 54.228 56.100 -0.233 0.000 0.928 530 R CB 1.602 31.635 30.300 -0.445 0.000 1.191 530 R HN -0.040 nan 8.270 nan 0.000 0.471 531 P HA -0.084 nan 4.420 nan 0.000 0.223 531 P C 0.150 177.482 177.300 0.053 0.000 1.151 531 P CA 1.070 64.166 63.100 -0.006 0.000 0.787 531 P CB 0.314 32.015 31.700 0.001 0.000 0.788 532 N N 0.451 119.177 118.700 0.043 0.000 2.149 532 N HA -0.128 4.611 4.740 -0.002 0.000 0.188 532 N C 1.782 177.399 175.510 0.179 0.000 1.019 532 N CA 1.797 54.943 53.050 0.160 0.000 0.857 532 N CB -0.810 37.621 38.487 -0.092 0.000 0.997 532 N HN 0.156 nan 8.380 nan 0.000 0.426 533 A N -0.194 122.666 122.820 0.067 0.000 1.911 533 A HA 0.078 4.397 4.320 -0.002 0.000 0.212 533 A C 1.912 179.553 177.584 0.095 0.000 1.189 533 A CA 1.259 53.356 52.037 0.102 0.000 0.639 533 A CB -0.105 18.963 19.000 0.114 0.000 0.839 533 A HN 0.182 nan 8.150 nan 0.000 0.449 534 V N -3.071 116.880 119.914 0.062 0.000 3.477 534 V HA 0.492 4.611 4.120 -0.002 0.000 0.297 534 V C 0.986 177.095 176.094 0.025 0.000 1.433 534 V CA 0.172 62.494 62.300 0.036 0.000 1.052 534 V CB -0.590 31.248 31.823 0.026 0.000 0.895 534 V HN 0.394 nan 8.190 nan 0.000 0.438 535 G N 0.254 109.075 108.800 0.034 0.000 2.634 535 G HA2 0.324 4.283 3.960 -0.002 0.000 0.255 535 G HA3 0.324 4.283 3.960 -0.002 0.000 0.255 535 G C 0.570 175.485 174.900 0.025 0.000 1.205 535 G CA -0.035 45.079 45.100 0.025 0.000 0.884 535 G HN 0.229 nan 8.290 nan 0.000 0.549 536 E N 0.031 120.241 120.200 0.016 0.000 2.204 536 E HA -0.086 4.263 4.350 -0.002 0.000 0.195 536 E C 1.682 178.290 176.600 0.012 0.000 0.990 536 E CA 1.023 57.431 56.400 0.013 0.000 0.821 536 E CB 0.101 29.805 29.700 0.007 0.000 0.750 536 E HN 0.551 nan 8.360 nan 0.000 0.477 537 K N 0.265 120.672 120.400 0.010 0.000 2.399 537 K HA 0.208 4.527 4.320 -0.002 0.000 0.204 537 K C 0.791 177.388 176.600 -0.005 0.000 1.023 537 K CA -0.093 56.190 56.287 -0.006 0.000 1.127 537 K CB 1.199 33.687 32.500 -0.019 0.000 0.856 537 K HN -0.045 nan 8.250 nan 0.000 0.514 538 G N 0.190 109.015 108.800 0.041 0.000 2.563 538 G HA2 0.313 4.272 3.960 -0.002 0.000 0.283 538 G HA3 0.313 4.272 3.960 -0.002 0.000 0.283 538 G C 0.917 175.881 174.900 0.107 0.000 1.309 538 G CA -0.104 45.061 45.100 0.107 0.000 1.022 538 G HN 0.113 nan 8.290 nan 0.000 0.501 539 A N -0.787 122.162 122.820 0.216 0.000 1.902 539 A HA 0.008 4.327 4.320 -0.002 0.000 0.217 539 A C 2.409 180.059 177.584 0.109 0.000 1.181 539 A CA 1.263 53.413 52.037 0.188 0.000 0.623 539 A CB -0.506 18.671 19.000 0.296 0.000 0.818 539 A HN 0.484 nan 8.150 nan 0.000 0.443 540 L N -0.963 120.306 121.223 0.076 0.000 2.056 540 L HA -0.166 4.173 4.340 -0.002 0.000 0.207 540 L C 2.520 179.411 176.870 0.035 0.000 1.078 540 L CA 1.667 56.515 54.840 0.013 0.000 0.749 540 L CB -0.380 41.668 42.059 -0.018 0.000 0.901 540 L HN 0.327 nan 8.230 nan 0.000 0.433 541 K N -0.267 120.164 120.400 0.051 0.000 2.228 541 K HA -0.064 4.255 4.320 -0.002 0.000 0.202 541 K C 1.845 178.492 176.600 0.078 0.000 1.051 541 K CA 1.117 57.442 56.287 0.063 0.000 0.960 541 K CB 0.049 32.576 32.500 0.045 0.000 0.743 541 K HN 0.292 nan 8.250 nan 0.000 0.458 542 V N -1.244 118.707 119.914 0.062 0.000 3.380 542 V HA -0.040 4.079 4.120 -0.002 0.000 0.268 542 V C 0.642 176.767 176.094 0.053 0.000 1.168 542 V CA -0.026 62.298 62.300 0.040 0.000 1.156 542 V CB -1.271 30.550 31.823 -0.005 0.000 0.785 542 V HN 0.129 nan 8.190 nan 0.000 0.487 543 Y N 2.781 123.057 120.300 -0.040 0.000 2.805 543 Y HA 0.409 4.958 4.550 -0.002 0.000 0.331 543 Y C 1.431 177.329 175.900 -0.004 0.000 1.241 543 Y CA 0.974 59.025 58.100 -0.082 0.000 1.546 543 Y CB 0.107 38.425 38.460 -0.235 0.000 1.248 543 Y HN 0.513 nan 8.280 nan 0.000 0.559 544 G N 4.604 112.990 108.800 -0.690 0.000 2.179 544 G HA2 -0.344 3.616 3.960 -0.002 0.000 0.260 544 G HA3 -0.344 3.616 3.960 -0.002 0.000 0.260 544 G C 1.087 175.897 174.900 -0.151 0.000 0.977 544 G CA 0.553 45.382 45.100 -0.452 0.000 0.641 544 G HN 0.655 nan 8.290 nan 0.000 0.533 545 K N 0.117 120.460 120.400 -0.095 0.000 2.400 545 K HA 0.365 4.685 4.320 -0.002 0.000 0.194 545 K C 1.972 178.541 176.600 -0.051 0.000 1.033 545 K CA 0.622 56.884 56.287 -0.042 0.000 1.021 545 K CB 0.136 32.630 32.500 -0.011 0.000 0.808 545 K HN 1.276 nan 8.250 nan 0.000 0.505 546 G N 1.979 110.736 108.800 -0.072 0.000 2.159 546 G HA2 -0.289 3.671 3.960 -0.002 0.000 0.256 546 G HA3 -0.289 3.671 3.960 -0.002 0.000 0.256 546 G C 0.154 175.025 174.900 -0.049 0.000 0.977 546 G CA 0.586 45.651 45.100 -0.058 0.000 0.652 546 G HN 0.424 nan 8.290 nan 0.000 0.531 547 S N -1.117 114.554 115.700 -0.050 0.000 2.681 547 S HA 0.778 5.247 4.470 -0.002 0.000 0.299 547 S C -0.263 174.298 174.600 -0.065 0.000 1.113 547 S CA -0.505 57.665 58.200 -0.050 0.000 1.013 547 S CB 2.421 65.595 63.200 -0.044 0.000 1.076 547 S HN 0.626 nan 8.310 nan 0.000 0.534 548 K N 1.175 121.527 120.400 -0.079 0.000 2.258 548 K HA 0.615 4.934 4.320 -0.002 0.000 0.284 548 K C 0.020 176.514 176.600 -0.176 0.000 1.051 548 K CA -0.364 55.852 56.287 -0.118 0.000 0.923 548 K CB 0.443 32.877 32.500 -0.108 0.000 1.046 548 K HN 0.843 nan 8.250 nan 0.000 0.474 549 A N 4.485 127.150 122.820 -0.258 0.000 2.498 549 A HA 0.124 4.443 4.320 -0.002 0.000 0.239 549 A C -0.481 176.772 177.584 -0.553 0.000 1.068 549 A CA 0.125 51.930 52.037 -0.387 0.000 0.766 549 A CB -0.037 18.655 19.000 -0.513 0.000 1.003 549 A HN 0.818 nan 8.150 nan 0.000 0.497 550 Q N 0.531 120.102 119.800 -0.381 0.000 2.290 550 Q HA 0.540 4.879 4.340 -0.002 0.000 0.259 550 Q C -1.607 174.292 176.000 -0.167 0.000 0.941 550 Q CA -0.129 55.510 55.803 -0.274 0.000 0.912 550 Q CB 1.472 30.149 28.738 -0.102 0.000 1.244 550 Q HN 0.608 nan 8.270 nan 0.000 0.441 551 F N 0.819 120.774 119.950 0.009 0.000 2.508 551 F HA 0.186 4.712 4.527 -0.002 0.000 0.325 551 F C 0.212 176.019 175.800 0.012 0.000 1.090 551 F CA -1.946 56.060 58.000 0.010 0.000 0.945 551 F CB 1.264 40.274 39.000 0.016 0.000 1.156 551 F HN 0.422 nan 8.300 nan 0.000 0.463 552 D N 1.618 122.153 120.400 0.224 0.000 2.339 552 D HA 0.155 4.794 4.640 -0.002 0.000 0.256 552 D C 0.853 177.226 176.300 0.122 0.000 1.214 552 D CA -0.119 53.957 54.000 0.128 0.000 0.877 552 D CB 1.216 42.064 40.800 0.080 0.000 1.111 552 D HN 0.365 nan 8.370 nan 0.000 0.478 553 V N 1.522 121.504 119.914 0.114 0.000 3.573 553 V HA 0.136 4.256 4.120 -0.002 0.000 0.270 553 V C 0.635 176.771 176.094 0.071 0.000 1.221 553 V CA -0.072 62.287 62.300 0.098 0.000 1.163 553 V CB -0.727 31.154 31.823 0.096 0.000 0.847 553 V HN 0.355 nan 8.190 nan 0.000 0.468 554 S N 2.169 117.911 115.700 0.072 0.000 2.548 554 S HA 0.439 4.908 4.470 -0.002 0.000 0.277 554 S C 0.297 174.951 174.600 0.090 0.000 1.315 554 S CA -0.477 57.765 58.200 0.071 0.000 1.050 554 S CB 0.612 63.852 63.200 0.067 0.000 0.918 554 S HN 0.488 nan 8.310 nan 0.000 0.497 555 R N 1.468 122.018 120.500 0.083 0.000 2.560 555 R HA 0.572 4.911 4.340 -0.002 0.000 0.270 555 R C -0.152 176.220 176.300 0.120 0.000 1.074 555 R CA -0.316 55.845 56.100 0.101 0.000 1.140 555 R CB 0.552 30.890 30.300 0.063 0.000 1.073 555 R HN 0.403 nan 8.270 nan 0.000 0.527 556 V N 0.000 120.004 119.914 0.151 0.000 2.409 556 V HA 0.000 4.119 4.120 -0.002 0.000 0.244 556 V CA 0.000 62.381 62.300 0.135 0.000 1.235 556 V CB 0.000 31.988 31.823 0.274 0.000 1.184 556 V HN 0.000 nan 8.190 nan 0.000 0.556