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 2nrs_1_B DATA FIRST_RESID 7 DATA SEQUENCE LMSLDTALNE MLSRVTPLTA QETLPLVQCF GRILASDVVS PLDVPGFDNS DATA SEQUENCE AMDGYAVRLA DIASGQPLPV AGKSFAGQPY HGEWPAGTCI RIMTGAPVPE DATA SEQUENCE GCEAVVMQEQ TEQMDNGVRF TAEVRSGQNI RRRGEDISAG AVVFPAGTRL DATA SEQUENCE TTAELPVIAS LGIAEVPVIR KVRVALFSTG DELQLPGQPL GDGQIYDTNR DATA SEQUENCE LAVHLMLEQL GCEVINLGII RDDPHALRAA FIEADSQADV VISSGGVSVG DATA SEQUENCE EADYTKTILE ELGEIAFWKL AIKPGKPFAF GKLSNSWFCG LPGNPVSATL DATA SEQUENCE TFYQLVQPLL AKLSGNTASG LPARQRVRTA SRLKKTPGRL DFQRGVLQRN DATA SEQUENCE ADGELEVTTT GHQGWHIFSS FSLGNCFIVL ERDRGNVEVG EWVEVEPFNA DATA SEQUENCE LFG 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 7 L HA 0.000 nan 4.340 nan 0.000 0.249 7 L C 0.000 176.869 176.870 -0.002 0.000 1.165 7 L CA 0.000 54.855 54.840 0.025 0.000 0.813 7 L CB 0.000 42.079 42.059 0.034 0.000 0.961 8 M N 1.963 121.556 119.600 -0.012 0.000 2.245 8 M HA 0.182 4.662 4.480 0.000 0.000 0.330 8 M C 0.521 176.775 176.300 -0.076 0.000 1.098 8 M CA 0.401 55.650 55.300 -0.086 0.000 1.172 8 M CB 1.127 33.616 32.600 -0.184 0.000 1.467 8 M HN 0.286 nan 8.290 nan 0.000 0.454 9 S N 4.342 119.977 115.700 -0.108 0.000 2.578 9 S HA 0.273 4.743 4.470 0.000 0.000 0.283 9 S C 0.881 175.420 174.600 -0.101 0.000 1.195 9 S CA -1.040 57.112 58.200 -0.080 0.000 1.050 9 S CB 1.318 64.475 63.200 -0.071 0.000 1.012 9 S HN 0.960 nan 8.310 nan 0.000 0.511 10 L N 1.260 122.453 121.223 -0.050 0.000 1.989 10 L HA -0.154 4.186 4.340 0.000 0.000 0.211 10 L C 2.545 179.366 176.870 -0.081 0.000 1.071 10 L CA 2.378 57.191 54.840 -0.045 0.000 0.749 10 L CB -0.652 41.431 42.059 0.040 0.000 0.890 10 L HN 0.996 nan 8.230 nan 0.000 0.431 11 D N -1.046 119.315 120.400 -0.065 0.000 2.116 11 D HA -0.214 4.426 4.640 0.000 0.000 0.193 11 D C 1.743 177.973 176.300 -0.115 0.000 0.998 11 D CA 2.157 56.111 54.000 -0.077 0.000 0.836 11 D CB 0.210 40.973 40.800 -0.061 0.000 0.951 11 D HN 0.335 nan 8.370 nan 0.000 0.449 12 T N 0.762 115.233 114.554 -0.137 0.000 2.595 12 T HA -0.152 4.198 4.350 0.000 0.000 0.264 12 T C 2.051 176.591 174.700 -0.267 0.000 1.058 12 T CA 2.253 64.244 62.100 -0.183 0.000 1.166 12 T CB -0.657 68.093 68.868 -0.197 0.000 0.863 12 T HN 0.328 nan 8.240 nan 0.000 0.415 13 A N 1.282 123.883 122.820 -0.366 0.000 1.892 13 A HA -0.068 4.252 4.320 0.000 0.000 0.218 13 A C 2.359 179.773 177.584 -0.283 0.000 1.188 13 A CA 1.452 53.160 52.037 -0.549 0.000 0.631 13 A CB -1.082 17.609 19.000 -0.515 0.000 0.822 13 A HN 0.484 nan 8.150 nan 0.000 0.447 14 L N -0.689 120.417 121.223 -0.196 0.000 2.043 14 L HA -0.276 4.064 4.340 0.000 0.000 0.212 14 L C 2.314 179.090 176.870 -0.157 0.000 1.075 14 L CA 2.379 57.122 54.840 -0.163 0.000 0.752 14 L CB -0.551 41.429 42.059 -0.132 0.000 0.891 14 L HN 0.494 nan 8.230 nan 0.000 0.432 15 N N -0.512 118.102 118.700 -0.142 0.000 2.142 15 N HA -0.236 4.504 4.740 0.000 0.000 0.186 15 N C 1.681 177.125 175.510 -0.110 0.000 1.023 15 N CA 1.096 54.078 53.050 -0.114 0.000 0.852 15 N CB 0.018 38.449 38.487 -0.093 0.000 0.998 15 N HN 0.211 nan 8.380 nan 0.000 0.424 16 E N 0.301 120.422 120.200 -0.132 0.000 2.153 16 E HA -0.087 4.263 4.350 0.000 0.000 0.194 16 E C 1.663 178.231 176.600 -0.053 0.000 0.988 16 E CA 1.222 57.582 56.400 -0.067 0.000 0.811 16 E CB -0.007 29.636 29.700 -0.095 0.000 0.746 16 E HN 0.389 nan 8.360 nan 0.000 0.466 17 M N -0.625 118.868 119.600 -0.179 0.000 2.123 17 M HA -0.061 4.419 4.480 0.000 0.000 0.263 17 M C 2.162 178.284 176.300 -0.296 0.000 1.069 17 M CA 1.132 56.184 55.300 -0.414 0.000 1.133 17 M CB -0.221 32.049 32.600 -0.550 0.000 1.356 17 M HN 0.124 nan 8.290 nan 0.000 0.415 18 L N -0.055 121.042 121.223 -0.209 0.000 2.141 18 L HA -0.142 4.198 4.340 0.000 0.000 0.209 18 L C 2.733 179.534 176.870 -0.114 0.000 1.094 18 L CA 1.299 56.039 54.840 -0.167 0.000 0.763 18 L CB -0.758 41.225 42.059 -0.126 0.000 0.908 18 L HN 0.413 nan 8.230 nan 0.000 0.437 19 S N -0.337 115.317 115.700 -0.077 0.000 2.428 19 S HA -0.090 4.380 4.470 0.000 0.000 0.230 19 S C 1.960 176.569 174.600 0.016 0.000 1.014 19 S CA 0.305 58.491 58.200 -0.023 0.000 0.957 19 S CB -0.237 62.959 63.200 -0.006 0.000 0.784 19 S HN 0.404 nan 8.310 nan 0.000 0.499 20 R N 0.840 121.345 120.500 0.009 0.000 2.193 20 R HA 0.226 4.566 4.340 0.000 0.000 0.213 20 R C 0.100 176.474 176.300 0.124 0.000 1.055 20 R CA 0.284 56.454 56.100 0.117 0.000 0.995 20 R CB -0.535 29.888 30.300 0.204 0.000 0.893 20 R HN 0.334 nan 8.270 nan 0.000 0.459 21 V N 2.464 122.329 119.914 -0.082 0.000 2.498 21 V HA 0.117 4.237 4.120 0.000 0.000 0.279 21 V C 0.287 176.426 176.094 0.074 0.000 1.048 21 V CA -0.007 62.253 62.300 -0.067 0.000 0.967 21 V CB 1.644 33.300 31.823 -0.278 0.000 0.988 21 V HN 0.105 nan 8.190 nan 0.000 0.473 22 T N 7.570 122.235 114.554 0.185 0.000 2.829 22 T HA 0.462 4.812 4.350 0.000 0.000 0.282 22 T C -2.480 172.285 174.700 0.109 0.000 0.990 22 T CA -1.030 61.149 62.100 0.132 0.000 1.028 22 T CB 1.624 70.585 68.868 0.154 0.000 0.951 22 T HN 0.473 nan 8.240 nan 0.000 0.460 23 P HA 0.297 nan 4.420 nan 0.000 0.278 23 P C -0.488 176.848 177.300 0.060 0.000 1.238 23 P CA -0.860 62.271 63.100 0.051 0.000 0.794 23 P CB 0.398 32.115 31.700 0.027 0.000 0.955 24 L N 1.956 123.213 121.223 0.056 0.000 2.483 24 L HA 0.122 4.462 4.340 0.000 0.000 0.275 24 L C 1.633 178.524 176.870 0.036 0.000 1.220 24 L CA 1.312 56.182 54.840 0.050 0.000 0.833 24 L CB -0.512 41.574 42.059 0.045 0.000 1.102 24 L HN 0.636 nan 8.230 nan 0.000 0.490 25 T N -1.887 112.686 114.554 0.032 0.000 3.009 25 T HA 0.399 4.749 4.350 0.000 0.000 0.267 25 T C 0.603 175.315 174.700 0.021 0.000 0.942 25 T CA 0.255 62.370 62.100 0.025 0.000 0.883 25 T CB 0.021 68.904 68.868 0.025 0.000 1.192 25 T HN 0.601 nan 8.240 nan 0.000 0.524 26 A N 2.217 125.051 122.820 0.023 0.000 2.555 26 A HA 0.487 4.807 4.320 0.000 0.000 0.233 26 A C 0.326 177.920 177.584 0.017 0.000 1.060 26 A CA 0.051 52.100 52.037 0.019 0.000 0.759 26 A CB -0.093 18.919 19.000 0.020 0.000 0.995 26 A HN 0.848 nan 8.150 nan 0.000 0.506 27 Q N 0.509 120.317 119.800 0.014 0.000 2.511 27 Q HA 0.727 5.067 4.340 0.000 0.000 0.289 27 Q C -1.210 174.797 176.000 0.011 0.000 1.021 27 Q CA -0.824 54.987 55.803 0.012 0.000 0.785 27 Q CB 1.683 30.428 28.738 0.012 0.000 1.472 27 Q HN 0.827 nan 8.270 nan 0.000 0.411 28 E N 0.145 120.351 120.200 0.010 0.000 2.392 28 E HA 0.515 4.865 4.350 0.000 0.000 0.279 28 E C -1.375 175.231 176.600 0.009 0.000 0.964 28 E CA -1.024 55.382 56.400 0.010 0.000 0.777 28 E CB 2.189 31.895 29.700 0.010 0.000 1.249 28 E HN 0.474 nan 8.360 nan 0.000 0.449 29 T N 2.329 116.888 114.554 0.010 0.000 2.756 29 T HA 0.497 4.847 4.350 0.000 0.000 0.290 29 T C -0.473 174.233 174.700 0.010 0.000 0.985 29 T CA -0.470 61.636 62.100 0.010 0.000 0.955 29 T CB 0.113 68.988 68.868 0.011 0.000 0.930 29 T HN 0.302 nan 8.240 nan 0.000 0.451 30 L N 4.931 126.159 121.223 0.009 0.000 2.333 30 L HA 0.654 4.994 4.340 0.000 0.000 0.263 30 L C -2.294 174.582 176.870 0.011 0.000 1.014 30 L CA -2.890 51.956 54.840 0.011 0.000 0.820 30 L CB 1.704 43.770 42.059 0.011 0.000 1.352 30 L HN 0.322 nan 8.230 nan 0.000 0.421 31 P HA 0.148 nan 4.420 nan 0.000 0.274 31 P C 0.740 178.049 177.300 0.016 0.000 1.231 31 P CA -0.376 62.733 63.100 0.015 0.000 0.790 31 P CB 0.924 32.634 31.700 0.016 0.000 0.951 32 L N 1.886 123.118 121.223 0.016 0.000 2.043 32 L HA -0.163 4.177 4.340 0.000 0.000 0.212 32 L C 2.542 179.427 176.870 0.026 0.000 1.075 32 L CA 1.397 56.245 54.840 0.014 0.000 0.752 32 L CB -1.050 41.018 42.059 0.015 0.000 0.891 32 L HN 0.226 nan 8.230 nan 0.000 0.432 33 V N -0.092 119.840 119.914 0.031 0.000 2.720 33 V HA -0.249 3.871 4.120 0.000 0.000 0.256 33 V C 1.992 178.116 176.094 0.049 0.000 1.082 33 V CA 1.668 63.992 62.300 0.040 0.000 1.101 33 V CB -0.252 31.588 31.823 0.030 0.000 0.693 33 V HN 0.558 nan 8.190 nan 0.000 0.479 34 Q N -1.918 117.907 119.800 0.041 0.000 2.280 34 Q HA 0.091 4.431 4.340 0.000 0.000 0.202 34 Q C 1.587 177.617 176.000 0.051 0.000 0.903 34 Q CA 0.352 56.182 55.803 0.045 0.000 0.948 34 Q CB 0.165 28.921 28.738 0.030 0.000 1.058 34 Q HN 0.653 nan 8.270 nan 0.000 0.493 35 C N 0.322 119.649 119.300 0.046 0.000 2.791 35 C HA 0.188 4.648 4.460 0.000 0.000 0.270 35 C C 0.661 175.654 174.990 0.005 0.000 1.257 35 C CA -0.825 58.201 59.018 0.013 0.000 1.699 35 C CB -1.333 26.391 27.740 -0.027 0.000 1.904 35 C HN 0.432 nan 8.230 nan 0.000 0.603 36 F N 1.482 121.416 119.950 -0.027 0.000 2.602 36 F HA 0.408 4.935 4.527 -0.000 0.000 0.385 36 F C 1.386 177.169 175.800 -0.028 0.000 1.063 36 F CA 1.959 59.941 58.000 -0.030 0.000 1.233 36 F CB 0.375 39.361 39.000 -0.022 0.000 1.067 36 F HN 0.448 nan 8.300 nan 0.000 0.564 37 G N 3.997 112.550 108.800 -0.411 0.000 2.199 37 G HA2 -0.248 3.712 3.960 0.000 0.000 0.254 37 G HA3 -0.248 3.712 3.960 0.000 0.000 0.254 37 G C 0.409 175.249 174.900 -0.101 0.000 0.982 37 G CA -0.282 44.733 45.100 -0.142 0.000 0.632 37 G HN 0.609 nan 8.290 nan 0.000 0.529 38 R N 0.391 120.828 120.500 -0.106 0.000 2.459 38 R HA 0.499 4.839 4.340 0.000 0.000 0.281 38 R C 0.663 176.912 176.300 -0.086 0.000 1.050 38 R CA -0.703 55.358 56.100 -0.066 0.000 1.055 38 R CB 0.608 30.883 30.300 -0.041 0.000 1.045 38 R HN 0.237 nan 8.270 nan 0.000 0.495 39 I N 3.475 124.011 120.570 -0.057 0.000 2.395 39 I HA 0.167 4.337 4.170 0.000 0.000 0.289 39 I C 1.003 177.094 176.117 -0.044 0.000 1.023 39 I CA -0.547 60.720 61.300 -0.055 0.000 1.350 39 I CB 0.343 38.322 38.000 -0.035 0.000 1.409 39 I HN 0.335 nan 8.210 nan 0.000 0.507 40 L N 5.146 126.340 121.223 -0.049 0.000 2.416 40 L HA 0.151 4.491 4.340 0.000 0.000 0.272 40 L C 1.257 178.122 176.870 -0.008 0.000 1.161 40 L CA -0.020 54.803 54.840 -0.029 0.000 0.845 40 L CB 1.544 43.586 42.059 -0.027 0.000 1.119 40 L HN 0.831 nan 8.230 nan 0.000 0.464 41 A N 2.903 125.723 122.820 0.000 0.000 1.984 41 A HA 0.143 4.463 4.320 0.000 0.000 0.214 41 A C 0.531 178.123 177.584 0.014 0.000 1.173 41 A CA 0.545 52.586 52.037 0.007 0.000 0.673 41 A CB 0.115 19.120 19.000 0.008 0.000 0.830 41 A HN 0.667 nan 8.150 nan 0.000 0.453 42 S N 0.766 116.477 115.700 0.018 0.000 2.546 42 S HA 0.397 4.867 4.470 0.000 0.000 0.272 42 S C -1.710 172.911 174.600 0.035 0.000 1.140 42 S CA -1.077 57.137 58.200 0.024 0.000 0.920 42 S CB 1.301 64.513 63.200 0.021 0.000 1.083 42 S HN 0.222 nan 8.310 nan 0.000 0.476 43 D N 1.802 122.225 120.400 0.038 0.000 2.973 43 D HA 0.000 4.640 4.640 0.000 0.000 0.214 43 D C -0.105 176.230 176.300 0.059 0.000 1.079 43 D CA 0.710 54.740 54.000 0.050 0.000 0.797 43 D CB 0.297 41.116 40.800 0.032 0.000 1.168 43 D HN 0.314 nan 8.370 nan 0.000 0.515 44 V N 3.610 123.581 119.914 0.094 0.000 2.461 44 V HA 0.176 4.296 4.120 0.000 0.000 0.275 44 V C 0.591 176.715 176.094 0.050 0.000 1.047 44 V CA -0.555 61.802 62.300 0.095 0.000 0.955 44 V CB 1.586 33.518 31.823 0.182 0.000 0.988 44 V HN 0.205 nan 8.190 nan 0.000 0.471 45 V N 4.254 124.187 119.914 0.032 0.000 2.417 45 V HA 0.339 4.459 4.120 0.000 0.000 0.291 45 V C 0.384 176.483 176.094 0.009 0.000 1.024 45 V CA -0.310 61.996 62.300 0.010 0.000 0.861 45 V CB 1.981 33.810 31.823 0.010 0.000 0.985 45 V HN 0.890 nan 8.190 nan 0.000 0.436 46 S N 6.433 122.128 115.700 -0.008 0.000 2.505 46 S HA 0.337 4.807 4.470 0.000 0.000 0.276 46 S C -1.546 173.056 174.600 0.003 0.000 1.274 46 S CA -0.968 57.229 58.200 -0.004 0.000 1.053 46 S CB 1.090 64.275 63.200 -0.024 0.000 0.919 46 S HN 0.664 nan 8.310 nan 0.000 0.490 47 P HA 0.263 nan 4.420 nan 0.000 0.261 47 P C -0.812 176.498 177.300 0.017 0.000 1.268 47 P CA 0.092 63.201 63.100 0.015 0.000 0.833 47 P CB -0.009 31.704 31.700 0.021 0.000 1.231 48 L N -3.239 117.993 121.223 0.016 0.000 2.403 48 L HA 0.615 4.955 4.340 0.000 0.000 0.253 48 L C -0.472 176.404 176.870 0.009 0.000 1.045 48 L CA -1.184 53.668 54.840 0.020 0.000 0.845 48 L CB 0.523 42.602 42.059 0.034 0.000 1.447 48 L HN -0.384 nan 8.230 nan 0.000 0.411 49 D N 0.443 120.850 120.400 0.012 0.000 2.329 49 D HA 0.534 5.174 4.640 0.000 0.000 0.246 49 D C -0.797 175.494 176.300 -0.014 0.000 1.111 49 D CA -0.086 53.913 54.000 -0.003 0.000 0.941 49 D CB 2.474 43.276 40.800 0.003 0.000 1.169 49 D HN 0.254 nan 8.370 nan 0.000 0.441 50 V N 2.731 122.624 119.914 -0.035 0.000 2.612 50 V HA 0.245 4.365 4.120 0.000 0.000 0.301 50 V C -2.251 173.798 176.094 -0.075 0.000 1.059 50 V CA -1.461 60.805 62.300 -0.057 0.000 0.886 50 V CB 2.484 34.280 31.823 -0.044 0.000 1.007 50 V HN 0.435 nan 8.190 nan 0.000 0.426 51 P HA 0.124 nan 4.420 nan 0.000 0.271 51 P C 0.818 178.016 177.300 -0.171 0.000 1.244 51 P CA 0.114 63.099 63.100 -0.193 0.000 0.793 51 P CB 1.023 32.536 31.700 -0.312 0.000 0.984 52 G N -0.471 108.203 108.800 -0.210 0.000 2.813 52 G HA2 0.252 4.212 3.960 0.000 0.000 0.209 52 G HA3 0.252 4.212 3.960 0.000 0.000 0.209 52 G C -0.078 174.932 174.900 0.184 0.000 1.150 52 G CA 0.017 45.136 45.100 0.031 0.000 0.785 52 G HN 0.606 nan 8.290 nan 0.000 0.535 53 F N -2.387 117.572 119.950 0.015 0.000 2.725 53 F HA 0.360 4.887 4.527 0.000 0.000 0.311 53 F C -1.681 174.126 175.800 0.012 0.000 1.121 53 F CA -2.164 55.846 58.000 0.016 0.000 0.978 53 F CB 0.168 39.180 39.000 0.020 0.000 1.274 53 F HN -0.277 nan 8.300 nan 0.000 0.440 54 D N 3.308 123.781 120.400 0.122 0.000 2.531 54 D HA 0.144 4.784 4.640 0.000 0.000 0.239 54 D C -0.270 176.087 176.300 0.095 0.000 1.144 54 D CA 0.841 54.875 54.000 0.056 0.000 0.869 54 D CB 0.357 41.208 40.800 0.085 0.000 1.160 54 D HN 0.784 nan 8.370 nan 0.000 0.484 55 N N -0.388 118.304 118.700 -0.014 0.000 2.732 55 N HA 0.215 4.955 4.740 0.000 0.000 0.259 55 N C -1.284 174.221 175.510 -0.008 0.000 1.402 55 N CA -0.770 52.287 53.050 0.011 0.000 0.829 55 N CB 1.626 40.038 38.487 -0.124 0.000 1.495 55 N HN 0.138 nan 8.380 nan 0.000 0.511 56 S N -0.613 115.089 115.700 0.004 0.000 2.513 56 S HA 0.467 4.937 4.470 0.000 0.000 0.276 56 S C 1.011 175.601 174.600 -0.016 0.000 1.254 56 S CA -0.179 58.015 58.200 -0.009 0.000 1.053 56 S CB 0.416 63.603 63.200 -0.021 0.000 0.958 56 S HN 0.686 nan 8.310 nan 0.000 0.491 57 A N 5.031 127.842 122.820 -0.015 0.000 2.239 57 A HA 0.335 4.655 4.320 0.000 0.000 0.209 57 A C 0.587 178.164 177.584 -0.012 0.000 1.171 57 A CA 0.711 52.739 52.037 -0.015 0.000 0.768 57 A CB -0.347 18.646 19.000 -0.011 0.000 0.790 57 A HN 0.792 nan 8.150 nan 0.000 0.478 58 M N -1.972 117.618 119.600 -0.016 0.000 2.721 58 M HA 0.271 4.751 4.480 0.000 0.000 0.271 58 M C -1.953 174.320 176.300 -0.044 0.000 1.259 58 M CA -0.596 54.691 55.300 -0.022 0.000 0.835 58 M CB 2.098 34.690 32.600 -0.013 0.000 1.689 58 M HN 0.051 nan 8.290 nan 0.000 0.470 59 D N 0.985 121.353 120.400 -0.053 0.000 2.295 59 D HA 0.616 5.256 4.640 0.000 0.000 0.248 59 D C 0.108 176.315 176.300 -0.156 0.000 1.154 59 D CA 0.691 54.633 54.000 -0.097 0.000 0.857 59 D CB 1.105 41.861 40.800 -0.073 0.000 1.117 59 D HN 0.735 nan 8.370 nan 0.000 0.468 60 G N 1.245 109.876 108.800 -0.281 0.000 2.498 60 G HA2 0.252 4.212 3.960 0.000 0.000 0.181 60 G HA3 0.252 4.212 3.960 0.000 0.000 0.181 60 G C -1.896 172.620 174.900 -0.641 0.000 1.169 60 G CA -0.696 44.168 45.100 -0.393 0.000 0.992 60 G HN 0.335 nan 8.290 nan 0.000 0.490 61 Y N 0.234 120.559 120.300 0.041 0.000 2.477 61 Y HA 0.751 5.301 4.550 -0.000 0.000 0.347 61 Y C 0.553 176.458 175.900 0.009 0.000 0.981 61 Y CA -0.623 57.489 58.100 0.021 0.000 1.033 61 Y CB 1.982 40.518 38.460 0.126 0.000 1.245 61 Y HN 0.819 nan 8.280 nan 0.000 0.455 62 A N 2.265 125.107 122.820 0.035 0.000 2.440 62 A HA 0.675 4.995 4.320 0.000 0.000 0.251 62 A C 0.023 177.647 177.584 0.067 0.000 1.089 62 A CA 0.042 52.057 52.037 -0.036 0.000 0.779 62 A CB -0.068 18.765 19.000 -0.279 0.000 1.022 62 A HN 1.106 nan 8.150 nan 0.000 0.492 63 V N 0.313 120.319 119.914 0.153 0.000 3.112 63 V HA 0.887 5.007 4.120 0.000 0.000 0.310 63 V C -0.689 175.523 176.094 0.198 0.000 1.364 63 V CA -1.313 61.084 62.300 0.163 0.000 1.058 63 V CB 1.675 33.382 31.823 -0.193 0.000 1.079 63 V HN 0.971 nan 8.190 nan 0.000 0.463 64 R N -0.009 120.514 120.500 0.038 0.000 2.725 64 R HA 0.614 4.954 4.340 0.000 0.000 0.277 64 R C 0.554 176.798 176.300 -0.094 0.000 0.987 64 R CA -0.850 55.225 56.100 -0.042 0.000 0.901 64 R CB 2.194 32.414 30.300 -0.132 0.000 1.207 64 R HN 0.708 nan 8.270 nan 0.000 0.463 65 L N 1.095 122.273 121.223 -0.075 0.000 2.187 65 L HA -0.192 4.148 4.340 0.000 0.000 0.213 65 L C 2.105 178.929 176.870 -0.078 0.000 1.100 65 L CA 1.812 56.608 54.840 -0.074 0.000 0.765 65 L CB -0.584 41.446 42.059 -0.049 0.000 0.904 65 L HN 0.842 nan 8.230 nan 0.000 0.437 66 A N -0.023 122.746 122.820 -0.085 0.000 1.874 66 A HA -0.139 4.181 4.320 0.000 0.000 0.214 66 A C 1.895 179.431 177.584 -0.081 0.000 1.189 66 A CA 1.268 53.258 52.037 -0.078 0.000 0.615 66 A CB -0.270 18.679 19.000 -0.086 0.000 0.830 66 A HN 0.317 nan 8.150 nan 0.000 0.443 67 D N 0.686 121.025 120.400 -0.101 0.000 2.081 67 D HA -0.155 4.485 4.640 0.000 0.000 0.194 67 D C 1.951 178.188 176.300 -0.105 0.000 0.986 67 D CA 1.245 55.189 54.000 -0.093 0.000 0.837 67 D CB -0.606 40.137 40.800 -0.095 0.000 0.985 67 D HN 0.247 nan 8.370 nan 0.000 0.448 68 I N 1.557 122.022 120.570 -0.176 0.000 2.191 68 I HA -0.343 3.827 4.170 0.000 0.000 0.248 68 I C 2.417 178.490 176.117 -0.074 0.000 1.061 68 I CA 1.440 62.631 61.300 -0.182 0.000 1.329 68 I CB -1.238 36.636 38.000 -0.210 0.000 1.024 68 I HN -0.044 nan 8.210 nan 0.000 0.423 69 A N 0.710 123.494 122.820 -0.061 0.000 1.929 69 A HA -0.158 4.162 4.320 0.000 0.000 0.216 69 A C 2.481 180.053 177.584 -0.020 0.000 1.176 69 A CA 1.924 53.940 52.037 -0.034 0.000 0.628 69 A CB -0.754 18.225 19.000 -0.034 0.000 0.816 69 A HN 0.585 nan 8.150 nan 0.000 0.444 70 S N -0.880 114.806 115.700 -0.024 0.000 2.381 70 S HA 0.023 4.492 4.470 0.000 0.000 0.230 70 S C 1.779 176.381 174.600 0.002 0.000 1.052 70 S CA 2.055 60.248 58.200 -0.012 0.000 1.068 70 S CB -1.128 62.064 63.200 -0.013 0.000 0.918 70 S HN 2.127 nan 8.310 nan 0.000 0.448 71 G N 0.678 109.486 108.800 0.014 0.000 2.159 71 G HA2 -0.161 3.799 3.960 0.000 0.000 0.227 71 G HA3 -0.161 3.799 3.960 0.000 0.000 0.227 71 G C -0.190 174.736 174.900 0.044 0.000 0.986 71 G CA 0.243 45.362 45.100 0.032 0.000 0.651 71 G HN 1.055 nan 8.290 nan 0.000 0.523 72 Q N 0.439 120.265 119.800 0.045 0.000 2.387 72 Q HA 0.683 5.023 4.340 0.000 0.000 0.273 72 Q C -2.908 173.134 176.000 0.070 0.000 1.089 72 Q CA -2.162 53.668 55.803 0.046 0.000 0.824 72 Q CB 2.257 31.010 28.738 0.025 0.000 1.367 72 Q HN 0.149 nan 8.270 nan 0.000 0.443 73 P HA -0.019 nan 4.420 nan 0.000 0.264 73 P C -0.629 176.712 177.300 0.068 0.000 1.173 73 P CA 0.559 63.689 63.100 0.051 0.000 0.761 73 P CB 0.305 32.005 31.700 -0.000 0.000 0.794 74 L N 4.943 126.228 121.223 0.102 0.000 2.294 74 L HA 0.372 4.712 4.340 0.000 0.000 0.283 74 L C -2.016 174.877 176.870 0.038 0.000 1.015 74 L CA -2.586 52.315 54.840 0.102 0.000 0.831 74 L CB 1.545 43.716 42.059 0.187 0.000 1.217 74 L HN 0.163 nan 8.230 nan 0.000 0.420 75 P HA -0.021 nan 4.420 nan 0.000 0.267 75 P C -0.186 177.127 177.300 0.021 0.000 1.200 75 P CA -0.135 62.973 63.100 0.014 0.000 0.772 75 P CB 1.063 32.780 31.700 0.029 0.000 0.855 76 V N 3.101 123.014 119.914 -0.002 0.000 2.415 76 V HA 0.089 4.209 4.120 0.000 0.000 0.267 76 V C 1.800 177.889 176.094 -0.008 0.000 1.042 76 V CA 0.645 62.939 62.300 -0.009 0.000 1.000 76 V CB -0.076 31.753 31.823 0.010 0.000 1.015 76 V HN 0.701 nan 8.190 nan 0.000 0.478 77 A N 4.209 127.015 122.820 -0.025 0.000 2.066 77 A HA 0.489 4.809 4.320 0.000 0.000 0.218 77 A C 1.184 178.739 177.584 -0.050 0.000 1.157 77 A CA 1.229 53.274 52.037 0.012 0.000 0.670 77 A CB -0.112 18.960 19.000 0.120 0.000 0.804 77 A HN 1.156 nan 8.150 nan 0.000 0.453 78 G N -1.707 106.935 108.800 -0.262 0.000 2.340 78 G HA2 0.493 4.453 3.960 0.000 0.000 0.299 78 G HA3 0.493 4.453 3.960 0.000 0.000 0.299 78 G C -1.607 173.050 174.900 -0.405 0.000 1.291 78 G CA -0.752 44.191 45.100 -0.262 0.000 0.841 78 G HN 0.145 nan 8.290 nan 0.000 0.500 79 K N -0.636 119.588 120.400 -0.294 0.000 2.435 79 K HA 0.741 5.061 4.320 0.000 0.000 0.251 79 K C -1.162 175.191 176.600 -0.412 0.000 0.954 79 K CA -0.706 55.319 56.287 -0.436 0.000 0.820 79 K CB 2.336 34.545 32.500 -0.486 0.000 1.292 79 K HN 0.449 nan 8.250 nan 0.000 0.436 80 S N 2.150 117.520 115.700 -0.549 0.000 2.756 80 S HA 0.569 5.039 4.470 0.000 0.000 0.303 80 S C -1.346 173.009 174.600 -0.407 0.000 1.135 80 S CA -0.671 57.319 58.200 -0.350 0.000 1.066 80 S CB 0.144 63.212 63.200 -0.220 0.000 1.008 80 S HN 0.434 nan 8.310 nan 0.000 0.482 81 F N 2.128 122.074 119.950 -0.006 0.000 2.461 81 F HA 0.576 5.103 4.527 0.000 0.000 0.332 81 F C 1.763 177.573 175.800 0.016 0.000 1.073 81 F CA -0.614 57.385 58.000 -0.002 0.000 1.017 81 F CB 0.626 39.627 39.000 0.002 0.000 1.301 81 F HN 0.673 nan 8.300 nan 0.000 0.492 82 A N 1.141 124.124 122.820 0.271 0.000 1.883 82 A HA -0.282 4.038 4.320 0.000 0.000 0.232 82 A C 1.964 179.634 177.584 0.142 0.000 1.671 82 A CA 2.679 54.815 52.037 0.165 0.000 0.748 82 A CB -1.665 17.402 19.000 0.113 0.000 0.850 82 A HN 1.017 nan 8.150 nan 0.000 0.488 83 G N -2.566 106.312 108.800 0.130 0.000 3.377 83 G HA2 0.400 4.360 3.960 0.000 0.000 0.257 83 G HA3 0.400 4.360 3.960 0.000 0.000 0.257 83 G C 0.386 175.343 174.900 0.095 0.000 1.038 83 G CA 0.244 45.399 45.100 0.091 0.000 0.809 83 G HN 0.489 nan 8.290 nan 0.000 0.526 84 Q N 1.669 121.560 119.800 0.151 0.000 2.644 84 Q HA 0.242 4.582 4.340 0.000 0.000 0.245 84 Q C -2.629 173.422 176.000 0.085 0.000 1.064 84 Q CA -2.023 53.871 55.803 0.152 0.000 0.860 84 Q CB 2.234 31.131 28.738 0.266 0.000 1.145 84 Q HN 0.133 nan 8.270 nan 0.000 0.515 85 P HA -0.069 nan 4.420 nan 0.000 0.276 85 P C -1.042 176.140 177.300 -0.196 0.000 1.253 85 P CA -0.119 62.912 63.100 -0.115 0.000 0.766 85 P CB 0.131 31.720 31.700 -0.185 0.000 0.845 86 Y N 3.989 124.110 120.300 -0.298 0.000 2.569 86 Y HA 0.001 4.551 4.550 -0.000 0.000 0.332 86 Y C 0.493 176.181 175.900 -0.354 0.000 1.120 86 Y CA 0.527 58.480 58.100 -0.246 0.000 1.416 86 Y CB 0.294 38.606 38.460 -0.245 0.000 1.210 86 Y HN 0.460 nan 8.280 nan 0.000 0.528 87 H N 3.499 122.253 119.070 -0.527 0.000 2.528 87 H HA 0.284 4.840 4.556 -0.000 0.000 0.282 87 H C 1.010 175.976 175.328 -0.604 0.000 1.097 87 H CA 0.065 55.861 56.048 -0.420 0.000 1.121 87 H CB 0.319 29.957 29.762 -0.206 0.000 1.590 87 H HN 0.831 nan 8.280 nan 0.000 0.553 88 G N 0.474 108.484 108.800 -1.317 0.000 2.525 88 G HA2 0.019 3.979 3.960 0.000 0.000 0.276 88 G HA3 0.019 3.979 3.960 0.000 0.000 0.276 88 G C 0.586 175.399 174.900 -0.144 0.000 1.388 88 G CA -0.306 44.345 45.100 -0.748 0.000 1.050 88 G HN 0.361 nan 8.290 nan 0.000 0.520 89 E N -2.328 117.971 120.200 0.165 0.000 2.102 89 E HA 0.023 4.373 4.350 0.000 0.000 0.190 89 E C 0.491 177.321 176.600 0.383 0.000 0.971 89 E CA 0.094 56.625 56.400 0.219 0.000 0.821 89 E CB 0.073 29.863 29.700 0.150 0.000 0.777 89 E HN 0.417 nan 8.360 nan 0.000 0.460 90 W N 2.593 124.041 121.300 0.247 0.000 6.190 90 W HA -0.132 4.528 4.660 0.000 0.000 0.423 90 W C -2.258 174.306 176.519 0.075 0.000 1.680 90 W CA -0.250 57.189 57.345 0.157 0.000 1.036 90 W CB -1.738 27.827 29.460 0.175 0.000 2.908 90 W HN 0.101 nan 8.180 nan 0.000 1.429 91 P HA 0.462 nan 4.420 nan 0.000 0.274 91 P C 0.267 177.506 177.300 -0.102 0.000 1.256 91 P CA 0.440 63.543 63.100 0.005 0.000 0.795 91 P CB 0.319 32.050 31.700 0.052 0.000 1.038 92 A N 0.004 122.749 122.820 -0.125 0.000 2.615 92 A HA 0.323 4.643 4.320 0.000 0.000 0.230 92 A C 1.473 179.017 177.584 -0.066 0.000 1.062 92 A CA 0.918 52.874 52.037 -0.134 0.000 0.758 92 A CB -1.649 17.296 19.000 -0.092 0.000 0.995 92 A HN 1.003 nan 8.150 nan 0.000 0.511 93 G N 0.541 109.302 108.800 -0.064 0.000 2.179 93 G HA2 -0.097 3.863 3.960 0.000 0.000 0.257 93 G HA3 -0.097 3.863 3.960 0.000 0.000 0.257 93 G C 0.512 175.443 174.900 0.052 0.000 1.010 93 G CA 1.579 46.675 45.100 -0.008 0.000 0.736 93 G HN 2.450 nan 8.290 nan 0.000 0.513 94 T N -3.065 111.555 114.554 0.111 0.000 2.807 94 T HA 0.822 5.172 4.350 0.000 0.000 0.277 94 T C 0.500 175.424 174.700 0.373 0.000 1.006 94 T CA 0.053 62.284 62.100 0.219 0.000 1.006 94 T CB 2.612 71.636 68.868 0.260 0.000 1.274 94 T HN 1.669 nan 8.240 nan 0.000 0.569 95 C N -0.284 119.180 119.300 0.273 0.000 3.340 95 C HA 0.866 5.326 4.460 0.000 0.000 0.333 95 C C -1.510 173.384 174.990 -0.160 0.000 1.464 95 C CA -1.105 58.027 59.018 0.190 0.000 1.337 95 C CB 0.485 28.337 27.740 0.186 0.000 1.740 95 C HN 0.911 nan 8.230 nan 0.000 0.450 96 I N 1.880 122.256 120.570 -0.323 0.000 2.468 96 I HA 0.426 4.596 4.170 0.000 0.000 0.285 96 I C 0.059 176.044 176.117 -0.220 0.000 1.039 96 I CA -0.084 60.895 61.300 -0.535 0.000 1.074 96 I CB 1.508 38.879 38.000 -1.048 0.000 1.228 96 I HN 0.941 nan 8.210 nan 0.000 0.436 97 R N 6.361 126.790 120.500 -0.119 0.000 2.537 97 R HA 0.483 4.823 4.340 0.000 0.000 0.280 97 R C -1.140 174.950 176.300 -0.351 0.000 1.058 97 R CA 0.432 56.441 56.100 -0.153 0.000 1.057 97 R CB 0.693 30.916 30.300 -0.128 0.000 0.973 97 R HN 0.711 nan 8.270 nan 0.000 0.438 98 I N 5.308 125.667 120.570 -0.352 0.000 2.644 98 I HA 0.281 4.451 4.170 0.000 0.000 0.291 98 I C -1.036 174.947 176.117 -0.223 0.000 1.180 98 I CA -0.944 60.177 61.300 -0.299 0.000 1.040 98 I CB 1.732 39.598 38.000 -0.224 0.000 1.255 98 I HN 0.668 nan 8.210 nan 0.000 0.422 99 M N 3.875 123.387 119.600 -0.148 0.000 2.513 99 M HA 0.403 4.883 4.480 0.000 0.000 0.291 99 M C 0.208 176.500 176.300 -0.013 0.000 1.190 99 M CA -0.588 54.687 55.300 -0.041 0.000 0.960 99 M CB 0.814 33.470 32.600 0.093 0.000 1.517 99 M HN 0.460 nan 8.290 nan 0.000 0.499 100 T N 1.344 115.900 114.554 0.005 0.000 2.940 100 T HA 0.312 4.662 4.350 0.000 0.000 0.309 100 T C 1.141 175.859 174.700 0.030 0.000 1.056 100 T CA 1.179 63.283 62.100 0.007 0.000 1.137 100 T CB 0.333 69.204 68.868 0.006 0.000 0.976 100 T HN 0.959 nan 8.240 nan 0.000 0.547 101 G N 1.232 110.044 108.800 0.021 0.000 2.168 101 G HA2 -0.098 3.862 3.960 0.000 0.000 0.263 101 G HA3 -0.098 3.862 3.960 0.000 0.000 0.263 101 G C 0.213 175.180 174.900 0.112 0.000 0.977 101 G CA -0.007 45.115 45.100 0.037 0.000 0.659 101 G HN 1.187 nan 8.290 nan 0.000 0.533 102 A N 0.550 123.430 122.820 0.100 0.000 2.309 102 A HA 0.752 5.072 4.320 0.000 0.000 0.298 102 A C -1.902 175.799 177.584 0.196 0.000 1.165 102 A CA -1.434 50.685 52.037 0.136 0.000 0.821 102 A CB 0.753 19.774 19.000 0.036 0.000 1.102 102 A HN 0.101 nan 8.150 nan 0.000 0.500 103 P HA 0.033 nan 4.420 nan 0.000 0.258 103 P C 0.096 177.447 177.300 0.086 0.000 1.187 103 P CA 0.249 63.510 63.100 0.269 0.000 0.767 103 P CB 0.252 31.897 31.700 -0.092 0.000 0.770 104 V N 7.275 127.252 119.914 0.106 0.000 2.788 104 V HA 0.048 4.168 4.120 0.000 0.000 0.307 104 V C -1.363 174.736 176.094 0.009 0.000 1.069 104 V CA -0.895 61.421 62.300 0.026 0.000 1.173 104 V CB 0.245 32.102 31.823 0.058 0.000 0.925 104 V HN 0.599 nan 8.190 nan 0.000 0.492 105 P HA 0.196 nan 4.420 nan 0.000 0.276 105 P C -0.991 176.405 177.300 0.159 0.000 1.261 105 P CA -0.547 62.555 63.100 0.003 0.000 0.800 105 P CB 0.466 32.061 31.700 -0.175 0.000 1.066 106 E N 0.047 120.379 120.200 0.220 0.000 2.316 106 E HA 0.316 4.666 4.350 0.000 0.000 0.275 106 E C 0.944 177.739 176.600 0.324 0.000 1.029 106 E CA -0.190 56.342 56.400 0.219 0.000 0.871 106 E CB -0.102 29.696 29.700 0.163 0.000 1.022 106 E HN 0.835 nan 8.360 nan 0.000 0.418 107 G N 2.089 111.021 108.800 0.221 0.000 2.234 107 G HA2 -0.324 3.636 3.960 0.000 0.000 0.235 107 G HA3 -0.324 3.636 3.960 0.000 0.000 0.235 107 G C 0.397 175.424 174.900 0.212 0.000 0.997 107 G CA -0.132 45.053 45.100 0.141 0.000 0.623 107 G HN 0.821 nan 8.290 nan 0.000 0.514 108 C N 2.155 121.700 119.300 0.409 0.000 2.592 108 C HA 0.479 4.939 4.460 0.000 0.000 0.408 108 C C 1.695 176.798 174.990 0.190 0.000 1.436 108 C CA 0.999 60.252 59.018 0.392 0.000 1.595 108 C CB -0.361 27.512 27.740 0.222 0.000 2.487 108 C HN 0.563 nan 8.230 nan 0.000 0.610 109 E N 3.584 123.876 120.200 0.153 0.000 2.489 109 E HA 0.396 4.746 4.350 0.000 0.000 0.204 109 E C 0.391 177.022 176.600 0.053 0.000 1.006 109 E CA 0.435 56.877 56.400 0.070 0.000 0.936 109 E CB 0.438 30.155 29.700 0.028 0.000 1.002 109 E HN 0.833 nan 8.360 nan 0.000 0.488 110 A N 0.263 123.123 122.820 0.066 0.000 2.489 110 A HA 0.482 4.802 4.320 0.000 0.000 0.293 110 A C -1.740 175.873 177.584 0.048 0.000 1.004 110 A CA -0.649 51.413 52.037 0.042 0.000 0.626 110 A CB 1.184 20.196 19.000 0.019 0.000 1.345 110 A HN -0.035 nan 8.150 nan 0.000 0.447 111 V N 0.825 120.766 119.914 0.045 0.000 2.612 111 V HA 0.605 4.725 4.120 0.000 0.000 0.301 111 V C -0.206 175.939 176.094 0.085 0.000 1.059 111 V CA -0.248 62.088 62.300 0.060 0.000 0.886 111 V CB 1.381 33.223 31.823 0.031 0.000 1.007 111 V HN 1.814 nan 8.190 nan 0.000 0.426 112 V N 4.386 124.396 119.914 0.159 0.000 2.630 112 V HA 0.754 4.874 4.120 0.000 0.000 0.305 112 V C 0.116 176.316 176.094 0.176 0.000 1.046 112 V CA -0.744 61.669 62.300 0.189 0.000 0.934 112 V CB 1.725 33.729 31.823 0.301 0.000 1.003 112 V HN 0.935 nan 8.190 nan 0.000 0.451 113 M N 1.956 121.622 119.600 0.111 0.000 2.114 113 M HA 0.525 5.005 4.480 0.000 0.000 0.280 113 M C 1.054 177.399 176.300 0.075 0.000 1.209 113 M CA -0.428 54.905 55.300 0.055 0.000 1.044 113 M CB 0.031 32.650 32.600 0.031 0.000 1.404 113 M HN 0.556 nan 8.290 nan 0.000 0.499 114 Q N 0.824 120.637 119.800 0.022 0.000 2.096 114 Q HA -0.188 4.152 4.340 0.000 0.000 0.208 114 Q C 1.872 177.895 176.000 0.039 0.000 0.993 114 Q CA 2.341 58.163 55.803 0.032 0.000 0.862 114 Q CB -0.415 28.322 28.738 -0.002 0.000 0.915 114 Q HN 0.758 nan 8.270 nan 0.000 0.416 115 E N 0.151 120.369 120.200 0.030 0.000 2.268 115 E HA -0.164 4.186 4.350 0.000 0.000 0.195 115 E C 1.264 177.881 176.600 0.029 0.000 0.995 115 E CA 0.845 57.259 56.400 0.023 0.000 0.836 115 E CB -0.299 29.413 29.700 0.020 0.000 0.763 115 E HN 0.599 nan 8.360 nan 0.000 0.491 116 Q N 0.228 120.059 119.800 0.051 0.000 2.360 116 Q HA 0.109 4.449 4.340 0.000 0.000 0.202 116 Q C 0.146 176.166 176.000 0.034 0.000 0.915 116 Q CA 0.283 56.126 55.803 0.067 0.000 0.943 116 Q CB 0.535 29.341 28.738 0.115 0.000 1.064 116 Q HN -0.067 nan 8.270 nan 0.000 0.511 117 T N 1.016 115.560 114.554 -0.017 0.000 2.792 117 T HA 0.215 4.565 4.350 0.000 0.000 0.280 117 T C -1.514 173.107 174.700 -0.131 0.000 0.990 117 T CA -0.584 61.419 62.100 -0.163 0.000 0.960 117 T CB 1.286 70.117 68.868 -0.062 0.000 0.939 117 T HN 0.149 nan 8.240 nan 0.000 0.439 118 E N 4.382 124.468 120.200 -0.191 0.000 2.165 118 E HA 0.328 4.678 4.350 0.000 0.000 0.266 118 E C -0.602 175.907 176.600 -0.152 0.000 0.889 118 E CA -0.736 55.591 56.400 -0.121 0.000 0.756 118 E CB 1.341 30.992 29.700 -0.081 0.000 1.131 118 E HN 0.512 nan 8.360 nan 0.000 0.411 119 Q N 3.015 122.753 119.800 -0.103 0.000 2.479 119 Q HA 0.177 4.517 4.340 0.000 0.000 0.267 119 Q C -0.989 174.960 176.000 -0.085 0.000 1.071 119 Q CA 0.528 56.271 55.803 -0.099 0.000 0.935 119 Q CB 0.600 29.309 28.738 -0.048 0.000 1.295 119 Q HN 0.531 nan 8.270 nan 0.000 0.476 120 M N 1.273 120.824 119.600 -0.082 0.000 2.575 120 M HA 0.212 4.692 4.480 0.000 0.000 0.284 120 M C -0.576 175.700 176.300 -0.040 0.000 1.253 120 M CA -0.922 54.343 55.300 -0.057 0.000 0.861 120 M CB 1.941 34.503 32.600 -0.063 0.000 1.733 120 M HN 0.789 nan 8.290 nan 0.000 0.462 121 D N 0.047 120.432 120.400 -0.025 0.000 2.277 121 D HA -0.070 4.570 4.640 0.000 0.000 0.208 121 D C 0.357 176.650 176.300 -0.012 0.000 0.962 121 D CA 0.834 54.825 54.000 -0.015 0.000 0.865 121 D CB -0.299 40.496 40.800 -0.009 0.000 0.939 121 D HN 0.618 nan 8.370 nan 0.000 0.510 122 N N 0.053 118.744 118.700 -0.015 0.000 2.401 122 N HA 0.296 5.036 4.740 0.000 0.000 0.264 122 N C 0.775 176.278 175.510 -0.012 0.000 1.238 122 N CA 0.085 53.130 53.050 -0.008 0.000 0.889 122 N CB 0.882 39.368 38.487 -0.002 0.000 1.196 122 N HN 0.296 nan 8.380 nan 0.000 0.511 123 G N -0.709 108.074 108.800 -0.029 0.000 2.217 123 G HA2 0.066 4.026 3.960 0.000 0.000 0.173 123 G HA3 0.066 4.026 3.960 0.000 0.000 0.173 123 G C -2.101 172.730 174.900 -0.115 0.000 1.324 123 G CA -0.228 44.842 45.100 -0.049 0.000 1.225 123 G HN 0.175 nan 8.290 nan 0.000 0.494 124 V N 1.170 120.986 119.914 -0.164 0.000 2.709 124 V HA 0.728 4.848 4.120 0.000 0.000 0.308 124 V C 0.164 176.035 176.094 -0.373 0.000 1.062 124 V CA -0.797 61.282 62.300 -0.367 0.000 0.901 124 V CB 1.774 33.171 31.823 -0.711 0.000 1.003 124 V HN 0.802 nan 8.190 nan 0.000 0.425 125 R N 2.306 122.561 120.500 -0.407 0.000 2.486 125 R HA 0.611 4.951 4.340 0.000 0.000 0.286 125 R C -1.708 174.291 176.300 -0.501 0.000 0.999 125 R CA -0.479 55.468 56.100 -0.256 0.000 0.993 125 R CB 1.410 31.634 30.300 -0.127 0.000 1.084 125 R HN 0.570 nan 8.270 nan 0.000 0.487 126 F N 1.091 121.021 119.950 -0.033 0.000 2.434 126 F HA 0.134 4.661 4.527 -0.000 0.000 0.367 126 F C 1.503 177.302 175.800 -0.001 0.000 1.093 126 F CA -0.498 57.495 58.000 -0.013 0.000 1.085 126 F CB 1.897 40.891 39.000 -0.010 0.000 1.322 126 F HN 0.594 nan 8.300 nan 0.000 0.452 127 T N -0.242 114.364 114.554 0.086 0.000 2.857 127 T HA 0.235 4.585 4.350 0.000 0.000 0.266 127 T C 0.966 175.712 174.700 0.075 0.000 1.048 127 T CA 0.721 62.857 62.100 0.060 0.000 1.139 127 T CB 0.048 68.929 68.868 0.022 0.000 0.874 127 T HN 0.421 nan 8.240 nan 0.000 0.455 128 A N 0.623 123.501 122.820 0.096 0.000 2.256 128 A HA 0.605 4.925 4.320 0.000 0.000 0.318 128 A C -0.034 177.601 177.584 0.085 0.000 1.103 128 A CA -0.797 51.288 52.037 0.079 0.000 0.860 128 A CB 0.644 19.686 19.000 0.070 0.000 1.182 128 A HN 0.511 nan 8.150 nan 0.000 0.501 129 E N -0.386 119.847 120.200 0.056 0.000 2.398 129 E HA 0.370 4.720 4.350 0.000 0.000 0.263 129 E C -1.209 175.416 176.600 0.042 0.000 1.046 129 E CA -0.005 56.420 56.400 0.041 0.000 0.908 129 E CB 0.635 30.351 29.700 0.027 0.000 0.963 129 E HN 0.302 nan 8.360 nan 0.000 0.431 130 V N 5.931 125.858 119.914 0.022 0.000 2.326 130 V HA 0.269 4.389 4.120 0.000 0.000 0.281 130 V C 0.078 176.173 176.094 0.001 0.000 1.015 130 V CA -0.633 61.674 62.300 0.011 0.000 0.823 130 V CB 1.131 32.939 31.823 -0.024 0.000 1.009 130 V HN 0.613 nan 8.190 nan 0.000 0.436 131 R N 2.116 122.622 120.500 0.009 0.000 2.441 131 R HA 0.327 4.667 4.340 0.000 0.000 0.284 131 R C 0.598 176.900 176.300 0.004 0.000 1.070 131 R CA -0.186 55.917 56.100 0.005 0.000 1.047 131 R CB 1.456 31.761 30.300 0.009 0.000 1.016 131 R HN 0.673 nan 8.270 nan 0.000 0.477 132 S N 0.705 116.405 115.700 0.001 0.000 2.593 132 S HA 0.090 4.560 4.470 0.000 0.000 0.300 132 S C 1.338 175.942 174.600 0.007 0.000 1.267 132 S CA 1.338 59.539 58.200 0.002 0.000 1.065 132 S CB 0.068 63.268 63.200 -0.000 0.000 0.807 132 S HN 0.818 nan 8.310 nan 0.000 0.499 133 G N 3.184 111.991 108.800 0.012 0.000 2.267 133 G HA2 -0.317 3.643 3.960 0.000 0.000 0.257 133 G HA3 -0.317 3.643 3.960 0.000 0.000 0.257 133 G C 0.124 175.033 174.900 0.015 0.000 0.998 133 G CA 0.498 45.607 45.100 0.014 0.000 0.620 133 G HN 1.227 nan 8.290 nan 0.000 0.529 134 Q N 0.663 120.472 119.800 0.015 0.000 2.333 134 Q HA 0.256 4.596 4.340 0.000 0.000 0.299 134 Q C 0.785 176.796 176.000 0.018 0.000 1.067 134 Q CA 0.748 56.560 55.803 0.017 0.000 0.943 134 Q CB 0.120 28.870 28.738 0.020 0.000 1.233 134 Q HN 0.430 nan 8.270 nan 0.000 0.401 135 N N 1.228 119.936 118.700 0.014 0.000 2.714 135 N HA -0.201 4.539 4.740 0.000 0.000 0.250 135 N C -1.147 174.366 175.510 0.006 0.000 1.117 135 N CA 1.298 54.354 53.050 0.010 0.000 0.719 135 N CB -1.290 37.207 38.487 0.017 0.000 1.081 135 N HN 0.653 nan 8.380 nan 0.000 0.557 136 I N 1.452 122.026 120.570 0.006 0.000 2.371 136 I HA 0.145 4.315 4.170 0.000 0.000 0.282 136 I C 0.586 176.698 176.117 -0.008 0.000 1.031 136 I CA -0.529 60.774 61.300 0.005 0.000 1.180 136 I CB 0.861 38.872 38.000 0.018 0.000 1.336 136 I HN -0.231 nan 8.210 nan 0.000 0.467 137 R N 5.905 126.391 120.500 -0.024 0.000 2.458 137 R HA 0.177 4.517 4.340 0.000 0.000 0.303 137 R C -0.179 176.093 176.300 -0.046 0.000 1.013 137 R CA -0.324 55.750 56.100 -0.042 0.000 1.026 137 R CB 0.329 30.588 30.300 -0.068 0.000 0.948 137 R HN 0.407 nan 8.270 nan 0.000 0.417 138 R N 2.761 123.239 120.500 -0.036 0.000 2.297 138 R HA 0.101 4.441 4.340 0.000 0.000 0.308 138 R C 0.312 176.587 176.300 -0.041 0.000 1.029 138 R CA -0.810 55.275 56.100 -0.025 0.000 0.929 138 R CB 0.886 31.180 30.300 -0.010 0.000 1.046 138 R HN 0.542 nan 8.270 nan 0.000 0.461 139 R N 1.003 121.484 120.500 -0.033 0.000 2.614 139 R HA -0.114 4.226 4.340 0.000 0.000 0.335 139 R C 0.531 176.816 176.300 -0.026 0.000 0.859 139 R CA 1.700 57.779 56.100 -0.035 0.000 1.123 139 R CB -0.435 29.876 30.300 0.018 0.000 0.887 139 R HN 0.918 nan 8.270 nan 0.000 0.407 140 G N 3.415 112.190 108.800 -0.042 0.000 2.131 140 G HA2 -0.274 3.686 3.960 0.000 0.000 0.223 140 G HA3 -0.274 3.686 3.960 0.000 0.000 0.223 140 G C 0.236 175.116 174.900 -0.033 0.000 0.990 140 G CA 0.310 45.392 45.100 -0.031 0.000 0.671 140 G HN 0.802 nan 8.290 nan 0.000 0.521 141 E N -0.255 119.921 120.200 -0.039 0.000 2.478 141 E HA 0.186 4.536 4.350 0.000 0.000 0.194 141 E C 1.118 177.696 176.600 -0.036 0.000 1.045 141 E CA 0.759 57.139 56.400 -0.033 0.000 0.868 141 E CB 0.206 29.887 29.700 -0.031 0.000 0.885 141 E HN 0.371 nan 8.360 nan 0.000 0.505 142 D N 0.525 120.899 120.400 -0.043 0.000 2.716 142 D HA 0.255 4.895 4.640 0.000 0.000 0.273 142 D C 0.497 176.765 176.300 -0.053 0.000 1.024 142 D CA 0.438 54.410 54.000 -0.046 0.000 0.944 142 D CB 1.162 41.933 40.800 -0.048 0.000 1.186 142 D HN 0.104 nan 8.370 nan 0.000 0.485 143 I N 0.852 121.391 120.570 -0.052 0.000 2.610 143 I HA 0.161 4.331 4.170 0.000 0.000 0.289 143 I C -1.020 175.072 176.117 -0.043 0.000 1.163 143 I CA -0.668 60.597 61.300 -0.058 0.000 1.044 143 I CB 2.402 40.363 38.000 -0.066 0.000 1.251 143 I HN -0.208 nan 8.210 nan 0.000 0.424 144 S N 3.663 119.340 115.700 -0.039 0.000 2.501 144 S HA 0.804 5.274 4.470 0.000 0.000 0.301 144 S C 0.005 174.592 174.600 -0.021 0.000 1.096 144 S CA -0.857 57.328 58.200 -0.026 0.000 1.063 144 S CB 1.991 65.178 63.200 -0.022 0.000 1.042 144 S HN 0.756 nan 8.310 nan 0.000 0.494 145 A N 1.489 124.303 122.820 -0.011 0.000 2.546 145 A HA 0.522 4.842 4.320 0.000 0.000 0.243 145 A C 1.512 179.092 177.584 -0.007 0.000 1.063 145 A CA 0.279 52.313 52.037 -0.005 0.000 0.757 145 A CB -1.272 17.731 19.000 0.005 0.000 0.991 145 A HN 2.383 nan 8.150 nan 0.000 0.503 146 G N 0.597 109.393 108.800 -0.007 0.000 2.176 146 G HA2 0.172 4.132 3.960 0.000 0.000 0.232 146 G HA3 0.172 4.132 3.960 0.000 0.000 0.232 146 G C 0.555 175.447 174.900 -0.015 0.000 0.986 146 G CA 0.438 45.534 45.100 -0.007 0.000 0.643 146 G HN 2.126 nan 8.290 nan 0.000 0.522 147 A N -0.464 122.341 122.820 -0.025 0.000 2.287 147 A HA 0.767 5.087 4.320 0.000 0.000 0.273 147 A C 0.363 177.919 177.584 -0.046 0.000 1.091 147 A CA 0.139 52.154 52.037 -0.038 0.000 0.817 147 A CB 1.287 20.257 19.000 -0.050 0.000 1.069 147 A HN 1.086 nan 8.150 nan 0.000 0.492 148 V N 2.113 121.994 119.914 -0.056 0.000 2.350 148 V HA 0.187 4.307 4.120 0.000 0.000 0.276 148 V C 0.836 176.852 176.094 -0.129 0.000 1.028 148 V CA -0.090 62.174 62.300 -0.060 0.000 0.860 148 V CB 1.104 32.906 31.823 -0.035 0.000 0.990 148 V HN 0.711 nan 8.190 nan 0.000 0.453 149 V N 5.018 124.820 119.914 -0.187 0.000 2.685 149 V HA 0.232 4.352 4.120 0.000 0.000 0.244 149 V C 0.242 175.848 176.094 -0.812 0.000 1.054 149 V CA 1.095 63.120 62.300 -0.459 0.000 1.076 149 V CB -0.214 31.333 31.823 -0.460 0.000 0.725 149 V HN 0.652 nan 8.190 nan 0.000 0.467 150 F N 1.335 121.279 119.950 -0.010 0.000 2.573 150 F HA 0.525 5.052 4.527 -0.000 0.000 0.316 150 F C -2.724 173.069 175.800 -0.012 0.000 1.148 150 F CA -2.330 55.661 58.000 -0.013 0.000 0.940 150 F CB 2.418 41.408 39.000 -0.017 0.000 1.214 150 F HN -0.127 nan 8.300 nan 0.000 0.448 151 P HA 0.241 nan 4.420 nan 0.000 0.278 151 P C -0.675 176.672 177.300 0.078 0.000 1.238 151 P CA -0.277 62.877 63.100 0.091 0.000 0.794 151 P CB 1.264 33.000 31.700 0.060 0.000 0.955 152 A N 2.011 124.862 122.820 0.050 0.000 2.587 152 A HA 0.364 4.684 4.320 0.000 0.000 0.235 152 A C 1.481 179.078 177.584 0.021 0.000 1.044 152 A CA 1.100 53.155 52.037 0.031 0.000 0.754 152 A CB -1.560 17.454 19.000 0.023 0.000 0.968 152 A HN 0.918 nan 8.150 nan 0.000 0.509 153 G N 1.594 110.398 108.800 0.008 0.000 2.201 153 G HA2 -0.164 3.796 3.960 0.000 0.000 0.212 153 G HA3 -0.164 3.796 3.960 0.000 0.000 0.212 153 G C 0.382 175.274 174.900 -0.014 0.000 0.994 153 G CA 0.256 45.355 45.100 -0.002 0.000 0.644 153 G HN 1.187 nan 8.290 nan 0.000 0.508 154 T N 1.697 116.242 114.554 -0.014 0.000 2.749 154 T HA 0.473 4.823 4.350 0.000 0.000 0.295 154 T C 0.501 175.143 174.700 -0.096 0.000 0.936 154 T CA -0.234 61.843 62.100 -0.039 0.000 1.060 154 T CB 1.285 70.143 68.868 -0.016 0.000 0.904 154 T HN 0.477 nan 8.240 nan 0.000 0.500 155 R N 4.156 124.590 120.500 -0.110 0.000 2.316 155 R HA 0.293 4.633 4.340 0.000 0.000 0.314 155 R C -0.417 175.743 176.300 -0.233 0.000 1.069 155 R CA -0.474 55.537 56.100 -0.148 0.000 0.959 155 R CB 0.112 30.337 30.300 -0.125 0.000 0.987 155 R HN 0.575 nan 8.270 nan 0.000 0.446 156 L N 3.648 124.704 121.223 -0.279 0.000 2.371 156 L HA 0.383 4.723 4.340 0.000 0.000 0.272 156 L C 0.515 177.065 176.870 -0.533 0.000 1.124 156 L CA -0.181 54.441 54.840 -0.364 0.000 0.816 156 L CB 1.529 43.413 42.059 -0.292 0.000 1.129 156 L HN 0.717 nan 8.230 nan 0.000 0.448 157 T N -0.766 113.496 114.554 -0.487 0.000 2.681 157 T HA 0.144 4.494 4.350 0.000 0.000 0.296 157 T C 0.906 175.478 174.700 -0.213 0.000 1.157 157 T CA -0.422 61.338 62.100 -0.566 0.000 1.025 157 T CB 1.773 70.433 68.868 -0.347 0.000 1.441 157 T HN 0.639 nan 8.240 nan 0.000 0.504 158 T N 1.502 116.083 114.554 0.045 0.000 2.897 158 T HA -0.066 4.284 4.350 0.000 0.000 0.271 158 T C 1.909 176.620 174.700 0.018 0.000 1.084 158 T CA 1.356 63.515 62.100 0.097 0.000 1.123 158 T CB -0.332 68.632 68.868 0.159 0.000 0.865 158 T HN 0.603 nan 8.240 nan 0.000 0.496 159 A N 1.115 123.920 122.820 -0.026 0.000 1.970 159 A HA 0.022 4.342 4.320 0.000 0.000 0.216 159 A C 2.112 179.679 177.584 -0.028 0.000 1.170 159 A CA 1.095 53.127 52.037 -0.009 0.000 0.645 159 A CB -0.099 18.896 19.000 -0.008 0.000 0.816 159 A HN 0.436 nan 8.150 nan 0.000 0.447 160 E N -0.589 119.502 120.200 -0.181 0.000 2.330 160 E HA 0.228 4.578 4.350 0.000 0.000 0.200 160 E C 1.687 178.143 176.600 -0.240 0.000 0.922 160 E CA 0.083 56.240 56.400 -0.404 0.000 0.935 160 E CB -0.169 28.871 29.700 -1.100 0.000 0.917 160 E HN 0.472 nan 8.360 nan 0.000 0.491 161 L N 1.102 122.223 121.223 -0.170 0.000 2.141 161 L HA -0.049 4.291 4.340 0.000 0.000 0.209 161 L C -0.769 176.100 176.870 -0.002 0.000 1.094 161 L CA 1.081 55.872 54.840 -0.082 0.000 0.763 161 L CB -1.052 40.974 42.059 -0.055 0.000 0.908 161 L HN 0.141 nan 8.230 nan 0.000 0.437 162 P HA -0.083 nan 4.420 nan 0.000 0.217 162 P C 1.921 179.264 177.300 0.073 0.000 1.151 162 P CA 0.867 63.994 63.100 0.046 0.000 0.828 162 P CB 0.152 31.880 31.700 0.046 0.000 0.788 163 V N -0.182 119.801 119.914 0.116 0.000 2.407 163 V HA -0.215 3.905 4.120 0.000 0.000 0.248 163 V C 2.282 178.480 176.094 0.173 0.000 1.055 163 V CA 1.487 63.886 62.300 0.166 0.000 1.049 163 V CB -0.996 31.010 31.823 0.306 0.000 0.662 163 V HN 0.083 nan 8.190 nan 0.000 0.455 164 I N 0.590 121.272 120.570 0.185 0.000 2.179 164 I HA -0.221 3.949 4.170 0.000 0.000 0.242 164 I C 2.636 178.803 176.117 0.084 0.000 1.088 164 I CA 1.599 62.985 61.300 0.145 0.000 1.357 164 I CB -0.667 37.391 38.000 0.096 0.000 1.051 164 I HN 0.312 nan 8.210 nan 0.000 0.409 165 A N 0.565 123.424 122.820 0.063 0.000 2.067 165 A HA -0.191 4.129 4.320 0.000 0.000 0.219 165 A C 2.476 180.090 177.584 0.051 0.000 1.158 165 A CA 1.840 53.907 52.037 0.050 0.000 0.661 165 A CB -0.601 18.424 19.000 0.042 0.000 0.801 165 A HN 0.530 nan 8.150 nan 0.000 0.452 166 S N 0.127 115.863 115.700 0.059 0.000 2.406 166 S HA -0.030 4.440 4.470 0.000 0.000 0.228 166 S C 1.535 176.162 174.600 0.045 0.000 1.020 166 S CA 1.115 59.344 58.200 0.049 0.000 0.965 166 S CB -0.599 62.629 63.200 0.047 0.000 0.798 166 S HN 0.487 nan 8.310 nan 0.000 0.488 167 L N 1.145 122.398 121.223 0.050 0.000 2.675 167 L HA 0.310 4.650 4.340 0.000 0.000 0.239 167 L C 1.829 178.725 176.870 0.043 0.000 1.151 167 L CA 0.286 55.152 54.840 0.043 0.000 0.905 167 L CB -1.239 40.846 42.059 0.044 0.000 1.057 167 L HN 0.594 nan 8.230 nan 0.000 0.435 168 G N 1.019 109.845 108.800 0.044 0.000 2.155 168 G HA2 -0.305 3.655 3.960 0.000 0.000 0.257 168 G HA3 -0.305 3.655 3.960 0.000 0.000 0.257 168 G C 0.190 175.111 174.900 0.036 0.000 0.983 168 G CA -0.043 45.080 45.100 0.040 0.000 0.676 168 G HN 0.358 nan 8.290 nan 0.000 0.528 169 I N 0.671 121.265 120.570 0.040 0.000 2.395 169 I HA 0.491 4.661 4.170 0.000 0.000 0.289 169 I C 1.448 177.584 176.117 0.032 0.000 1.023 169 I CA 0.282 61.603 61.300 0.036 0.000 1.350 169 I CB 1.581 39.606 38.000 0.043 0.000 1.409 169 I HN 0.131 nan 8.210 nan 0.000 0.507 170 A N 5.421 128.257 122.820 0.027 0.000 2.169 170 A HA 0.230 4.550 4.320 0.000 0.000 0.210 170 A C 0.468 178.064 177.584 0.020 0.000 1.168 170 A CA 0.388 52.439 52.037 0.023 0.000 0.813 170 A CB 0.067 19.080 19.000 0.021 0.000 0.861 170 A HN 0.761 nan 8.150 nan 0.000 0.481 171 E N -0.748 119.464 120.200 0.020 0.000 2.367 171 E HA 0.554 4.904 4.350 0.000 0.000 0.273 171 E C -1.300 175.310 176.600 0.017 0.000 0.903 171 E CA -0.978 55.431 56.400 0.016 0.000 0.764 171 E CB 2.412 32.121 29.700 0.015 0.000 1.252 171 E HN 0.251 nan 8.360 nan 0.000 0.446 172 V N -2.149 117.772 119.914 0.012 0.000 3.007 172 V HA 0.668 4.788 4.120 0.000 0.000 0.311 172 V C -2.830 173.268 176.094 0.008 0.000 1.120 172 V CA -2.718 59.589 62.300 0.011 0.000 0.980 172 V CB 1.880 33.707 31.823 0.006 0.000 1.033 172 V HN 0.546 nan 8.190 nan 0.000 0.429 173 P HA 0.474 nan 4.420 nan 0.000 0.286 173 P C -0.639 176.662 177.300 0.002 0.000 1.269 173 P CA -0.102 63.003 63.100 0.008 0.000 0.787 173 P CB 1.581 33.288 31.700 0.011 0.000 0.920 174 V N 1.458 121.372 119.914 0.000 0.000 2.962 174 V HA 0.524 4.644 4.120 0.000 0.000 0.313 174 V C -0.039 176.055 176.094 -0.000 0.000 1.099 174 V CA -1.406 60.890 62.300 -0.006 0.000 0.971 174 V CB 1.757 33.571 31.823 -0.014 0.000 1.028 174 V HN 0.278 nan 8.190 nan 0.000 0.430 175 I N 3.469 124.039 120.570 -0.001 0.000 2.588 175 I HA 0.302 4.472 4.170 0.000 0.000 0.283 175 I C 1.245 177.366 176.117 0.007 0.000 1.119 175 I CA -0.051 61.252 61.300 0.005 0.000 1.419 175 I CB 0.759 38.762 38.000 0.005 0.000 1.394 175 I HN 0.917 nan 8.210 nan 0.000 0.562 176 R N 6.401 126.908 120.500 0.012 0.000 2.697 176 R HA 0.067 4.407 4.340 0.000 0.000 0.265 176 R C -0.561 175.748 176.300 0.015 0.000 1.009 176 R CA -0.276 55.832 56.100 0.014 0.000 1.099 176 R CB 0.207 30.517 30.300 0.016 0.000 0.965 176 R HN 0.421 nan 8.270 nan 0.000 0.428 177 K N 1.793 122.203 120.400 0.015 0.000 2.469 177 K HA 0.034 4.354 4.320 0.000 0.000 0.274 177 K C -0.228 176.384 176.600 0.021 0.000 0.983 177 K CA -0.339 55.958 56.287 0.016 0.000 0.974 177 K CB 0.681 33.192 32.500 0.018 0.000 0.913 177 K HN 0.316 nan 8.250 nan 0.000 0.493 178 V N 3.742 123.669 119.914 0.022 0.000 2.637 178 V HA 0.046 4.166 4.120 0.000 0.000 0.296 178 V C 0.568 176.679 176.094 0.028 0.000 1.046 178 V CA -0.045 62.273 62.300 0.032 0.000 1.066 178 V CB 0.565 32.408 31.823 0.034 0.000 0.968 178 V HN 0.636 nan 8.190 nan 0.000 0.483 179 R N 3.462 123.982 120.500 0.033 0.000 2.294 179 R HA 0.693 5.033 4.340 0.000 0.000 0.319 179 R C -1.211 175.106 176.300 0.028 0.000 0.984 179 R CA -0.510 55.604 56.100 0.024 0.000 0.861 179 R CB 1.750 32.065 30.300 0.024 0.000 1.104 179 R HN 0.507 nan 8.270 nan 0.000 0.451 180 V N 1.681 121.599 119.914 0.007 0.000 2.735 180 V HA 0.685 4.805 4.120 0.000 0.000 0.310 180 V C -0.431 175.647 176.094 -0.027 0.000 1.061 180 V CA -0.899 61.402 62.300 0.002 0.000 0.913 180 V CB 1.992 33.815 31.823 -0.001 0.000 1.005 180 V HN 0.914 nan 8.190 nan 0.000 0.428 181 A N 4.353 127.159 122.820 -0.023 0.000 2.350 181 A HA 0.931 5.251 4.320 0.000 0.000 0.324 181 A C -1.193 176.334 177.584 -0.095 0.000 1.118 181 A CA -0.582 51.440 52.037 -0.025 0.000 0.783 181 A CB 1.432 20.455 19.000 0.038 0.000 1.236 181 A HN 0.788 nan 8.150 nan 0.000 0.457 182 L N 2.580 123.749 121.223 -0.089 0.000 2.431 182 L HA 0.870 5.210 4.340 0.000 0.000 0.266 182 L C -1.653 175.189 176.870 -0.048 0.000 0.978 182 L CA -0.687 54.051 54.840 -0.169 0.000 0.822 182 L CB 1.968 43.934 42.059 -0.154 0.000 1.310 182 L HN 0.964 nan 8.230 nan 0.000 0.409 183 F N 0.776 120.680 119.950 -0.076 0.000 2.807 183 F HA 0.722 5.249 4.527 -0.000 0.000 0.316 183 F C -1.158 174.613 175.800 -0.049 0.000 1.162 183 F CA -0.915 57.042 58.000 -0.071 0.000 0.910 183 F CB 1.072 40.005 39.000 -0.111 0.000 1.314 183 F HN 0.361 nan 8.300 nan 0.000 0.454 184 S N -0.220 115.695 115.700 0.357 0.000 2.667 184 S HA 0.898 5.368 4.470 0.000 0.000 0.292 184 S C -1.040 173.693 174.600 0.222 0.000 1.126 184 S CA -0.472 57.886 58.200 0.263 0.000 0.881 184 S CB 1.931 65.201 63.200 0.116 0.000 1.132 184 S HN 1.239 nan 8.310 nan 0.000 0.492 185 T N -1.082 113.571 114.554 0.164 0.000 2.900 185 T HA 0.745 5.095 4.350 0.000 0.000 0.303 185 T C -0.597 174.156 174.700 0.088 0.000 1.142 185 T CA 0.384 62.548 62.100 0.106 0.000 1.007 185 T CB 1.073 70.006 68.868 0.107 0.000 1.156 185 T HN 2.310 nan 8.240 nan 0.000 0.490 186 G N 3.102 111.949 108.800 0.078 0.000 3.088 186 G HA2 0.094 4.054 3.960 0.000 0.000 0.620 186 G HA3 0.094 4.054 3.960 0.000 0.000 0.620 186 G C 0.005 174.932 174.900 0.045 0.000 1.375 186 G CA -0.143 44.998 45.100 0.069 0.000 1.016 186 G HN 0.654 nan 8.290 nan 0.000 0.590 187 D N 1.300 121.726 120.400 0.043 0.000 2.190 187 D HA -0.112 4.528 4.640 0.000 0.000 0.200 187 D C 2.124 178.426 176.300 0.004 0.000 0.992 187 D CA 1.877 55.890 54.000 0.022 0.000 0.854 187 D CB 0.158 40.970 40.800 0.021 0.000 0.936 187 D HN 0.786 nan 8.370 nan 0.000 0.462 188 E N 0.093 120.293 120.200 -0.000 0.000 2.516 188 E HA 0.025 4.375 4.350 0.000 0.000 0.199 188 E C 0.486 177.063 176.600 -0.039 0.000 1.069 188 E CA 0.107 56.492 56.400 -0.025 0.000 0.876 188 E CB -0.348 29.337 29.700 -0.025 0.000 0.843 188 E HN 0.277 nan 8.360 nan 0.000 0.530 189 L N 1.604 122.818 121.223 -0.014 0.000 2.290 189 L HA 0.325 4.665 4.340 0.000 0.000 0.284 189 L C -0.111 176.755 176.870 -0.008 0.000 1.078 189 L CA -0.611 54.224 54.840 -0.008 0.000 0.815 189 L CB 0.904 42.975 42.059 0.020 0.000 1.162 189 L HN 0.042 nan 8.230 nan 0.000 0.435 190 Q N 2.902 122.695 119.800 -0.013 0.000 2.353 190 Q HA 0.511 4.851 4.340 0.000 0.000 0.268 190 Q C -0.932 175.155 176.000 0.144 0.000 1.045 190 Q CA -0.458 55.359 55.803 0.024 0.000 0.811 190 Q CB 2.055 30.744 28.738 -0.082 0.000 1.305 190 Q HN 0.464 nan 8.270 nan 0.000 0.447 191 L N 5.163 126.459 121.223 0.122 0.000 2.452 191 L HA 0.383 4.723 4.340 0.000 0.000 0.267 191 L C -1.788 175.183 176.870 0.168 0.000 1.188 191 L CA -1.732 53.179 54.840 0.117 0.000 0.821 191 L CB 0.373 42.467 42.059 0.058 0.000 1.102 191 L HN 0.564 nan 8.230 nan 0.000 0.470 192 P HA 0.039 nan 4.420 nan 0.000 0.268 192 P C 0.627 177.879 177.300 -0.080 0.000 1.204 192 P CA 0.696 63.713 63.100 -0.137 0.000 0.768 192 P CB 1.229 32.826 31.700 -0.172 0.000 0.842 193 G N 1.943 110.676 108.800 -0.112 0.000 2.454 193 G HA2 -0.222 3.738 3.960 0.000 0.000 0.225 193 G HA3 -0.222 3.738 3.960 0.000 0.000 0.225 193 G C 0.298 175.222 174.900 0.040 0.000 1.138 193 G CA -0.275 44.803 45.100 -0.037 0.000 0.667 193 G HN 0.610 nan 8.290 nan 0.000 0.512 194 Q N 2.093 121.945 119.800 0.085 0.000 2.479 194 Q HA 0.324 4.664 4.340 0.000 0.000 0.267 194 Q C -2.069 174.024 176.000 0.155 0.000 1.071 194 Q CA -0.317 55.547 55.803 0.102 0.000 0.935 194 Q CB 0.472 29.267 28.738 0.095 0.000 1.295 194 Q HN 0.452 nan 8.270 nan 0.000 0.476 195 P HA 0.127 nan 4.420 nan 0.000 0.282 195 P C -0.807 176.513 177.300 0.033 0.000 1.249 195 P CA -0.540 62.609 63.100 0.083 0.000 0.806 195 P CB 0.619 32.344 31.700 0.041 0.000 0.984 196 L N 2.911 124.134 121.223 -0.000 0.000 2.418 196 L HA 0.296 4.636 4.340 0.000 0.000 0.274 196 L C 1.381 178.205 176.870 -0.078 0.000 1.135 196 L CA 0.710 55.472 54.840 -0.130 0.000 0.870 196 L CB -0.233 41.727 42.059 -0.166 0.000 1.154 196 L HN 0.597 nan 8.230 nan 0.000 0.462 197 G N 3.050 111.799 108.800 -0.086 0.000 2.481 197 G HA2 -0.009 3.951 3.960 0.000 0.000 0.251 197 G HA3 -0.009 3.951 3.960 0.000 0.000 0.251 197 G C 0.404 175.272 174.900 -0.052 0.000 1.492 197 G CA 0.130 45.198 45.100 -0.054 0.000 1.060 197 G HN 0.664 nan 8.290 nan 0.000 0.553 198 D N -0.802 119.574 120.400 -0.039 0.000 2.092 198 D HA 0.076 4.716 4.640 0.000 0.000 0.203 198 D C 2.235 178.512 176.300 -0.038 0.000 0.978 198 D CA 1.561 55.542 54.000 -0.031 0.000 0.861 198 D CB -0.352 40.436 40.800 -0.020 0.000 1.005 198 D HN 0.392 nan 8.370 nan 0.000 0.450 199 G N 0.231 109.009 108.800 -0.036 0.000 3.814 199 G HA2 0.153 4.113 3.960 0.000 0.000 0.293 199 G HA3 0.153 4.113 3.960 0.000 0.000 0.293 199 G C -0.099 174.768 174.900 -0.054 0.000 1.243 199 G CA -0.273 44.804 45.100 -0.037 0.000 1.053 199 G HN 0.119 nan 8.290 nan 0.000 0.562 200 Q N -0.180 119.570 119.800 -0.084 0.000 2.180 200 Q HA 0.706 5.046 4.340 0.000 0.000 0.241 200 Q C -0.290 175.603 176.000 -0.179 0.000 0.970 200 Q CA -0.529 55.202 55.803 -0.120 0.000 0.919 200 Q CB 2.280 30.933 28.738 -0.140 0.000 1.222 200 Q HN 0.493 nan 8.270 nan 0.000 0.482 201 I N -3.154 117.292 120.570 -0.207 0.000 2.913 201 I HA 0.382 4.552 4.170 0.000 0.000 0.302 201 I C -1.318 174.634 176.117 -0.275 0.000 1.246 201 I CA -1.326 59.824 61.300 -0.250 0.000 1.010 201 I CB 1.360 39.294 38.000 -0.110 0.000 1.259 201 I HN 0.462 nan 8.210 nan 0.000 0.434 202 Y N 1.743 122.026 120.300 -0.028 0.000 2.496 202 Y HA 0.143 4.693 4.550 0.000 0.000 0.334 202 Y C 0.627 176.499 175.900 -0.046 0.000 1.080 202 Y CA -0.039 58.040 58.100 -0.036 0.000 1.355 202 Y CB 0.194 38.629 38.460 -0.042 0.000 1.193 202 Y HN 0.540 nan 8.280 nan 0.000 0.523 203 D N 2.280 122.751 120.400 0.117 0.000 2.520 203 D HA -0.063 4.577 4.640 0.000 0.000 0.243 203 D C 0.886 177.193 176.300 0.012 0.000 1.160 203 D CA 0.765 54.792 54.000 0.045 0.000 0.877 203 D CB 0.867 41.692 40.800 0.043 0.000 1.150 203 D HN 0.764 nan 8.370 nan 0.000 0.494 204 T N 0.154 114.686 114.554 -0.037 0.000 2.980 204 T HA 0.025 4.375 4.350 0.000 0.000 0.252 204 T C 1.397 176.019 174.700 -0.131 0.000 0.962 204 T CA -0.311 61.727 62.100 -0.104 0.000 0.932 204 T CB -0.122 68.645 68.868 -0.168 0.000 1.188 204 T HN 0.141 nan 8.240 nan 0.000 0.500 205 N N 2.031 120.672 118.700 -0.097 0.000 2.061 205 N HA -0.052 4.688 4.740 0.000 0.000 0.193 205 N C 1.877 177.329 175.510 -0.097 0.000 1.030 205 N CA 1.526 54.521 53.050 -0.091 0.000 0.856 205 N CB -0.404 38.056 38.487 -0.045 0.000 1.023 205 N HN 0.457 nan 8.380 nan 0.000 0.424 206 R N 0.608 121.071 120.500 -0.061 0.000 2.070 206 R HA -0.015 4.325 4.340 0.000 0.000 0.233 206 R C 2.211 178.486 176.300 -0.041 0.000 1.137 206 R CA 0.855 56.928 56.100 -0.045 0.000 0.945 206 R CB -0.522 29.777 30.300 -0.000 0.000 0.845 206 R HN 0.213 nan 8.270 nan 0.000 0.430 207 L N 0.344 121.535 121.223 -0.052 0.000 2.013 207 L HA -0.245 4.095 4.340 0.000 0.000 0.212 207 L C 2.327 179.138 176.870 -0.097 0.000 1.073 207 L CA 2.053 56.851 54.840 -0.070 0.000 0.753 207 L CB -0.690 41.306 42.059 -0.104 0.000 0.890 207 L HN 0.409 nan 8.230 nan 0.000 0.432 208 A N -0.664 122.070 122.820 -0.143 0.000 1.865 208 A HA -0.195 4.125 4.320 0.000 0.000 0.217 208 A C 2.175 179.617 177.584 -0.236 0.000 1.191 208 A CA 2.084 54.014 52.037 -0.177 0.000 0.623 208 A CB -1.029 17.865 19.000 -0.178 0.000 0.826 208 A HN 0.340 nan 8.150 nan 0.000 0.444 209 V N -0.106 119.636 119.914 -0.287 0.000 2.392 209 V HA -0.284 3.836 4.120 0.000 0.000 0.249 209 V C 2.560 178.494 176.094 -0.267 0.000 1.059 209 V CA 2.307 64.329 62.300 -0.464 0.000 1.051 209 V CB -1.079 30.496 31.823 -0.413 0.000 0.658 209 V HN 0.758 nan 8.190 nan 0.000 0.455 210 H N 0.313 119.255 119.070 -0.214 0.000 2.290 210 H HA -0.117 4.439 4.556 -0.000 0.000 0.298 210 H C 2.183 177.431 175.328 -0.134 0.000 1.087 210 H CA 2.108 58.072 56.048 -0.140 0.000 1.291 210 H CB -0.306 29.396 29.762 -0.100 0.000 1.369 210 H HN 0.352 nan 8.280 nan 0.000 0.492 211 L N -0.312 120.928 121.223 0.028 0.000 2.042 211 L HA -0.226 4.114 4.340 0.000 0.000 0.210 211 L C 2.996 179.829 176.870 -0.062 0.000 1.076 211 L CA 1.428 56.245 54.840 -0.040 0.000 0.749 211 L CB -0.382 41.616 42.059 -0.100 0.000 0.893 211 L HN 0.262 nan 8.230 nan 0.000 0.432 212 M N -0.974 118.543 119.600 -0.139 0.000 2.156 212 M HA -0.172 4.308 4.480 0.000 0.000 0.264 212 M C 2.340 178.642 176.300 0.003 0.000 1.067 212 M CA 1.596 56.831 55.300 -0.108 0.000 1.131 212 M CB -0.347 32.148 32.600 -0.175 0.000 1.368 212 M HN 0.224 nan 8.290 nan 0.000 0.416 213 L N -0.016 121.201 121.223 -0.009 0.000 2.042 213 L HA -0.229 4.111 4.340 0.000 0.000 0.210 213 L C 2.386 179.280 176.870 0.040 0.000 1.076 213 L CA 1.437 56.310 54.840 0.055 0.000 0.749 213 L CB -0.515 41.537 42.059 -0.012 0.000 0.893 213 L HN 0.353 nan 8.230 nan 0.000 0.432 214 E N -0.758 119.471 120.200 0.048 0.000 2.106 214 E HA -0.227 4.123 4.350 0.000 0.000 0.192 214 E C 2.262 178.882 176.600 0.035 0.000 0.984 214 E CA 0.826 57.261 56.400 0.058 0.000 0.806 214 E CB 0.205 29.964 29.700 0.098 0.000 0.750 214 E HN 0.349 nan 8.360 nan 0.000 0.458 215 Q N -0.092 119.720 119.800 0.019 0.000 2.230 215 Q HA -0.056 4.284 4.340 0.000 0.000 0.202 215 Q C 2.008 178.023 176.000 0.025 0.000 0.963 215 Q CA 0.779 56.589 55.803 0.012 0.000 0.866 215 Q CB -0.004 28.726 28.738 -0.014 0.000 0.931 215 Q HN 0.380 nan 8.270 nan 0.000 0.452 216 L N -0.617 120.624 121.223 0.029 0.000 2.610 216 L HA 0.066 4.406 4.340 0.000 0.000 0.232 216 L C 1.069 177.956 176.870 0.028 0.000 1.149 216 L CA 0.550 55.404 54.840 0.024 0.000 0.872 216 L CB -0.392 41.682 42.059 0.025 0.000 0.992 216 L HN 0.337 nan 8.230 nan 0.000 0.447 217 G N -1.005 107.817 108.800 0.036 0.000 2.141 217 G HA2 -0.254 3.706 3.960 0.000 0.000 0.242 217 G HA3 -0.254 3.706 3.960 0.000 0.000 0.242 217 G C 0.280 175.197 174.900 0.028 0.000 0.982 217 G CA -0.073 45.050 45.100 0.037 0.000 0.662 217 G HN 0.335 nan 8.290 nan 0.000 0.527 218 C N 0.392 119.708 119.300 0.026 0.000 2.604 218 C HA 0.527 4.987 4.460 0.000 0.000 0.396 218 C C 1.034 176.031 174.990 0.011 0.000 1.282 218 C CA -0.359 58.670 59.018 0.019 0.000 2.292 218 C CB 0.989 28.740 27.740 0.019 0.000 2.633 218 C HN 0.558 nan 8.230 nan 0.000 0.620 219 E N 1.013 121.217 120.200 0.007 0.000 2.105 219 E HA 0.333 4.683 4.350 0.000 0.000 0.285 219 E C -0.806 175.777 176.600 -0.028 0.000 1.055 219 E CA -0.137 56.263 56.400 -0.000 0.000 0.843 219 E CB 0.595 30.299 29.700 0.006 0.000 1.067 219 E HN 0.474 nan 8.360 nan 0.000 0.398 220 V N 6.106 125.980 119.914 -0.067 0.000 2.509 220 V HA 0.275 4.395 4.120 0.000 0.000 0.284 220 V C 0.253 176.268 176.094 -0.132 0.000 1.047 220 V CA -0.337 61.861 62.300 -0.171 0.000 0.952 220 V CB 1.239 32.806 31.823 -0.425 0.000 0.988 220 V HN 0.594 nan 8.190 nan 0.000 0.469 221 I N 4.309 124.807 120.570 -0.119 0.000 2.495 221 I HA 0.335 4.505 4.170 0.000 0.000 0.277 221 I C -0.085 176.001 176.117 -0.052 0.000 1.045 221 I CA -0.101 61.167 61.300 -0.053 0.000 1.135 221 I CB 0.909 38.901 38.000 -0.014 0.000 1.241 221 I HN 0.624 nan 8.210 nan 0.000 0.469 222 N N 5.606 124.282 118.700 -0.040 0.000 2.500 222 N HA 0.228 4.968 4.740 0.000 0.000 0.236 222 N C 0.543 176.083 175.510 0.049 0.000 1.022 222 N CA -0.572 52.476 53.050 -0.004 0.000 0.935 222 N CB 0.836 39.361 38.487 0.063 0.000 1.147 222 N HN 0.478 nan 8.380 nan 0.000 0.512 223 L N 3.212 124.479 121.223 0.074 0.000 2.610 223 L HA 0.272 4.612 4.340 0.000 0.000 0.232 223 L C 1.533 178.435 176.870 0.054 0.000 1.149 223 L CA 0.680 55.559 54.840 0.064 0.000 0.872 223 L CB -1.548 40.560 42.059 0.081 0.000 0.992 223 L HN 0.809 nan 8.230 nan 0.000 0.447 224 G N -0.148 108.697 108.800 0.075 0.000 2.645 224 G HA2 -0.300 3.660 3.960 0.000 0.000 0.246 224 G HA3 -0.300 3.660 3.960 0.000 0.000 0.246 224 G C 0.073 175.012 174.900 0.065 0.000 1.322 224 G CA -0.238 44.898 45.100 0.060 0.000 0.898 224 G HN 0.128 nan 8.290 nan 0.000 0.573 225 I N 1.277 121.873 120.570 0.043 0.000 2.416 225 I HA 0.236 4.406 4.170 0.000 0.000 0.288 225 I C 0.632 176.751 176.117 0.004 0.000 1.051 225 I CA -0.606 60.719 61.300 0.041 0.000 1.375 225 I CB 0.673 38.695 38.000 0.037 0.000 1.407 225 I HN 0.245 nan 8.210 nan 0.000 0.516 226 I N 6.440 126.997 120.570 -0.022 0.000 2.440 226 I HA 0.264 4.434 4.170 0.000 0.000 0.294 226 I C 0.670 176.780 176.117 -0.012 0.000 0.995 226 I CA -0.508 60.749 61.300 -0.073 0.000 1.306 226 I CB 0.988 38.858 38.000 -0.217 0.000 1.407 226 I HN 0.677 nan 8.210 nan 0.000 0.501 227 R N 3.028 123.525 120.500 -0.005 0.000 2.641 227 R HA 0.223 4.563 4.340 0.000 0.000 0.269 227 R C -0.730 175.602 176.300 0.054 0.000 1.074 227 R CA -0.676 55.436 56.100 0.020 0.000 1.133 227 R CB 0.558 30.863 30.300 0.009 0.000 1.029 227 R HN 0.383 nan 8.270 nan 0.000 0.488 228 D N 1.673 122.117 120.400 0.073 0.000 2.441 228 D HA 0.067 4.707 4.640 0.000 0.000 0.243 228 D C -1.020 175.291 176.300 0.019 0.000 1.257 228 D CA 0.869 54.953 54.000 0.139 0.000 1.027 228 D CB 0.113 40.989 40.800 0.127 0.000 1.084 228 D HN 0.534 nan 8.370 nan 0.000 0.514 229 D N 1.234 121.651 120.400 0.028 0.000 2.931 229 D HA 0.214 4.854 4.640 0.000 0.000 0.215 229 D C -2.216 174.063 176.300 -0.035 0.000 1.297 229 D CA -1.480 52.463 54.000 -0.094 0.000 0.892 229 D CB 1.902 42.689 40.800 -0.022 0.000 1.642 229 D HN -0.147 nan 8.370 nan 0.000 0.560 230 P HA -0.163 nan 4.420 nan 0.000 0.218 230 P C 0.791 178.036 177.300 -0.093 0.000 1.146 230 P CA 1.053 64.106 63.100 -0.078 0.000 0.813 230 P CB 0.101 31.627 31.700 -0.290 0.000 0.778 231 H N -1.291 117.785 119.070 0.010 0.000 2.415 231 H HA 0.195 4.751 4.556 -0.000 0.000 0.297 231 H C 1.950 177.283 175.328 0.008 0.000 1.048 231 H CA 1.369 57.421 56.048 0.007 0.000 1.365 231 H CB -0.608 29.146 29.762 -0.013 0.000 1.421 231 H HN 0.063 nan 8.280 nan 0.000 0.533 232 A N 1.358 124.249 122.820 0.118 0.000 1.929 232 A HA -0.056 4.264 4.320 0.000 0.000 0.216 232 A C 2.541 180.126 177.584 0.001 0.000 1.176 232 A CA 0.617 52.680 52.037 0.042 0.000 0.628 232 A CB -0.722 18.286 19.000 0.015 0.000 0.816 232 A HN 0.299 nan 8.150 nan 0.000 0.444 233 L N -0.994 120.254 121.223 0.041 0.000 2.056 233 L HA -0.153 4.187 4.340 0.000 0.000 0.207 233 L C 2.803 179.742 176.870 0.114 0.000 1.078 233 L CA 1.387 56.243 54.840 0.028 0.000 0.749 233 L CB -0.347 41.809 42.059 0.162 0.000 0.901 233 L HN 0.414 nan 8.230 nan 0.000 0.433 234 R N -0.576 120.002 120.500 0.131 0.000 2.066 234 R HA -0.135 4.205 4.340 0.000 0.000 0.232 234 R C 2.259 178.632 176.300 0.121 0.000 1.131 234 R CA 1.392 57.578 56.100 0.143 0.000 0.955 234 R CB -0.361 29.991 30.300 0.086 0.000 0.851 234 R HN 0.413 nan 8.270 nan 0.000 0.432 235 A N 0.735 123.596 122.820 0.070 0.000 2.019 235 A HA -0.089 4.231 4.320 0.000 0.000 0.219 235 A C 2.221 179.807 177.584 0.003 0.000 1.164 235 A CA 1.621 53.681 52.037 0.038 0.000 0.644 235 A CB -0.408 18.605 19.000 0.021 0.000 0.805 235 A HN 0.432 nan 8.150 nan 0.000 0.449 236 A N -1.346 121.431 122.820 -0.071 0.000 1.929 236 A HA 0.107 4.427 4.320 0.000 0.000 0.216 236 A C 1.934 179.424 177.584 -0.155 0.000 1.176 236 A CA 1.118 53.025 52.037 -0.218 0.000 0.628 236 A CB -0.628 18.056 19.000 -0.527 0.000 0.816 236 A HN 0.459 nan 8.150 nan 0.000 0.444 237 F N -0.031 119.881 119.950 -0.063 0.000 2.146 237 F HA -0.100 4.427 4.527 0.000 0.000 0.298 237 F C 2.069 177.894 175.800 0.042 0.000 1.096 237 F CA 1.455 59.495 58.000 0.067 0.000 1.275 237 F CB -0.191 38.825 39.000 0.026 0.000 1.008 237 F HN 0.111 nan 8.300 nan 0.000 0.480 238 I N -0.101 120.588 120.570 0.198 0.000 2.394 238 I HA -0.238 3.932 4.170 0.000 0.000 0.251 238 I C 2.310 178.474 176.117 0.078 0.000 1.136 238 I CA 1.472 62.837 61.300 0.109 0.000 1.425 238 I CB -0.336 37.705 38.000 0.067 0.000 1.079 238 I HN 0.156 nan 8.210 nan 0.000 0.425 239 E N 1.628 121.867 120.200 0.065 0.000 2.112 239 E HA -0.109 4.241 4.350 0.000 0.000 0.190 239 E C 2.143 178.779 176.600 0.060 0.000 0.979 239 E CA 1.237 57.663 56.400 0.044 0.000 0.814 239 E CB -0.151 29.561 29.700 0.020 0.000 0.762 239 E HN 0.331 nan 8.360 nan 0.000 0.460 240 A N 0.841 123.716 122.820 0.092 0.000 1.898 240 A HA -0.169 4.151 4.320 0.000 0.000 0.216 240 A C 2.034 179.682 177.584 0.106 0.000 1.181 240 A CA 1.677 53.780 52.037 0.110 0.000 0.620 240 A CB -0.915 18.191 19.000 0.177 0.000 0.819 240 A HN 0.469 nan 8.150 nan 0.000 0.442 241 D N -0.010 120.468 120.400 0.131 0.000 2.218 241 D HA -0.137 4.503 4.640 0.000 0.000 0.204 241 D C 1.974 178.301 176.300 0.045 0.000 0.976 241 D CA 1.630 55.687 54.000 0.094 0.000 0.853 241 D CB 0.035 40.892 40.800 0.095 0.000 0.939 241 D HN 0.493 nan 8.370 nan 0.000 0.481 242 S N -1.168 114.557 115.700 0.042 0.000 2.558 242 S HA -0.045 4.425 4.470 0.000 0.000 0.217 242 S C 0.973 175.586 174.600 0.021 0.000 0.975 242 S CA -0.081 58.133 58.200 0.023 0.000 0.912 242 S CB -0.016 63.197 63.200 0.021 0.000 0.776 242 S HN 0.502 nan 8.310 nan 0.000 0.526 243 Q N -0.016 119.802 119.800 0.030 0.000 2.013 243 Q HA 0.668 5.008 4.340 0.000 0.000 0.233 243 Q C -0.323 175.695 176.000 0.029 0.000 0.834 243 Q CA -0.323 55.495 55.803 0.025 0.000 1.040 243 Q CB 0.656 29.407 28.738 0.022 0.000 1.248 243 Q HN 0.408 nan 8.270 nan 0.000 0.425 244 A N 0.255 123.097 122.820 0.037 0.000 2.556 244 A HA 0.524 4.844 4.320 0.000 0.000 0.294 244 A C -0.498 177.116 177.584 0.051 0.000 1.091 244 A CA -0.524 51.539 52.037 0.043 0.000 0.704 244 A CB 1.352 20.382 19.000 0.049 0.000 1.300 244 A HN 0.092 nan 8.150 nan 0.000 0.406 245 D N -0.347 120.094 120.400 0.068 0.000 2.271 245 D HA 0.162 4.802 4.640 0.000 0.000 0.206 245 D C 0.045 176.439 176.300 0.156 0.000 0.967 245 D CA 1.335 55.396 54.000 0.102 0.000 0.867 245 D CB 0.639 41.511 40.800 0.120 0.000 0.960 245 D HN 0.207 nan 8.370 nan 0.000 0.509 246 V N 1.114 121.107 119.914 0.132 0.000 2.760 246 V HA 0.319 4.439 4.120 0.000 0.000 0.309 246 V C -0.372 175.774 176.094 0.088 0.000 1.077 246 V CA -0.839 61.551 62.300 0.150 0.000 0.910 246 V CB 3.079 34.987 31.823 0.142 0.000 1.008 246 V HN -0.276 nan 8.190 nan 0.000 0.424 247 V N 5.379 125.348 119.914 0.091 0.000 2.540 247 V HA 0.599 4.719 4.120 0.000 0.000 0.302 247 V C -0.565 175.456 176.094 -0.121 0.000 1.035 247 V CA -0.414 61.915 62.300 0.048 0.000 0.873 247 V CB 1.960 33.926 31.823 0.240 0.000 0.992 247 V HN 0.698 nan 8.190 nan 0.000 0.428 248 I N 3.347 123.746 120.570 -0.283 0.000 2.478 248 I HA 0.347 4.517 4.170 0.000 0.000 0.287 248 I C -0.042 175.738 176.117 -0.560 0.000 1.042 248 I CA -0.343 60.722 61.300 -0.392 0.000 1.067 248 I CB 2.221 40.107 38.000 -0.190 0.000 1.233 248 I HN 0.621 nan 8.210 nan 0.000 0.431 249 S N 3.626 119.018 115.700 -0.512 0.000 2.465 249 S HA 0.198 4.668 4.470 0.000 0.000 0.279 249 S C 1.008 175.504 174.600 -0.172 0.000 1.201 249 S CA -0.441 57.527 58.200 -0.387 0.000 1.053 249 S CB 0.869 64.071 63.200 0.003 0.000 0.953 249 S HN 0.701 nan 8.310 nan 0.000 0.488 250 S N 3.210 118.832 115.700 -0.130 0.000 2.575 250 S HA 0.493 4.963 4.470 0.000 0.000 0.215 250 S C 0.847 175.450 174.600 0.005 0.000 0.966 250 S CA -0.054 58.112 58.200 -0.056 0.000 0.911 250 S CB -0.146 63.010 63.200 -0.073 0.000 0.780 250 S HN 1.372 nan 8.310 nan 0.000 0.514 251 G N -1.552 107.270 108.800 0.037 0.000 2.405 251 G HA2 0.519 4.479 3.960 0.000 0.000 0.303 251 G HA3 0.519 4.479 3.960 0.000 0.000 0.303 251 G C 0.199 175.159 174.900 0.099 0.000 1.644 251 G CA -0.212 44.926 45.100 0.064 0.000 0.899 251 G HN 1.084 nan 8.290 nan 0.000 0.667 252 G N -1.100 107.760 108.800 0.099 0.000 2.349 252 G HA2 -0.046 3.914 3.960 0.000 0.000 0.213 252 G HA3 -0.046 3.914 3.960 0.000 0.000 0.213 252 G C 0.561 175.526 174.900 0.109 0.000 1.044 252 G CA 0.567 45.726 45.100 0.099 0.000 0.633 252 G HN 1.773 nan 8.290 nan 0.000 0.506 253 V N 2.315 122.336 119.914 0.178 0.000 2.686 253 V HA 0.568 4.688 4.120 0.000 0.000 0.295 253 V C 1.454 177.651 176.094 0.172 0.000 1.055 253 V CA 0.477 62.897 62.300 0.200 0.000 1.050 253 V CB 1.494 33.550 31.823 0.388 0.000 0.984 253 V HN 0.775 nan 8.190 nan 0.000 0.482 254 S N 2.921 118.688 115.700 0.111 0.000 2.573 254 S HA 0.024 4.494 4.470 0.000 0.000 0.297 254 S C 0.610 175.388 174.600 0.296 0.000 1.280 254 S CA 0.183 58.457 58.200 0.123 0.000 1.061 254 S CB 0.563 63.770 63.200 0.013 0.000 0.812 254 S HN 1.187 nan 8.310 nan 0.000 0.500 255 V N 2.389 122.459 119.914 0.259 0.000 3.085 255 V HA 0.725 4.845 4.120 0.000 0.000 0.345 255 V C 1.035 177.354 176.094 0.375 0.000 1.397 255 V CA 0.506 63.035 62.300 0.381 0.000 1.165 255 V CB -0.449 31.535 31.823 0.268 0.000 1.153 255 V HN 1.134 nan 8.190 nan 0.000 0.495 256 G N 0.315 109.142 108.800 0.045 0.000 4.386 256 G HA2 -0.112 3.848 3.960 0.000 0.000 0.185 256 G HA3 -0.112 3.848 3.960 0.000 0.000 0.185 256 G C 0.009 174.770 174.900 -0.232 0.000 1.725 256 G CA -0.022 44.975 45.100 -0.172 0.000 0.941 256 G HN 0.486 nan 8.290 nan 0.000 0.315 257 E N 1.433 121.585 120.200 -0.080 0.000 2.565 257 E HA 0.405 4.755 4.350 0.000 0.000 0.268 257 E C 0.652 177.183 176.600 -0.115 0.000 1.000 257 E CA 0.742 57.104 56.400 -0.063 0.000 0.964 257 E CB 0.664 30.361 29.700 -0.005 0.000 0.955 257 E HN 0.813 nan 8.360 nan 0.000 0.459 258 A N 4.122 126.892 122.820 -0.083 0.000 2.362 258 A HA 0.477 4.797 4.320 0.000 0.000 0.276 258 A C -0.550 177.006 177.584 -0.047 0.000 1.153 258 A CA 0.169 52.156 52.037 -0.083 0.000 0.813 258 A CB 0.130 19.096 19.000 -0.057 0.000 1.081 258 A HN 0.673 nan 8.150 nan 0.000 0.507 259 D N 0.438 120.807 120.400 -0.052 0.000 2.871 259 D HA -0.007 4.633 4.640 0.000 0.000 0.330 259 D C 0.162 176.456 176.300 -0.011 0.000 1.364 259 D CA 0.068 54.067 54.000 -0.002 0.000 0.759 259 D CB -0.462 40.343 40.800 0.008 0.000 1.325 259 D HN 0.468 nan 8.370 nan 0.000 0.452 260 Y N -0.707 119.580 120.300 -0.021 0.000 2.293 260 Y HA -0.044 4.506 4.550 -0.000 0.000 0.291 260 Y C 2.227 178.115 175.900 -0.020 0.000 1.137 260 Y CA 2.226 60.308 58.100 -0.030 0.000 1.202 260 Y CB -1.365 37.074 38.460 -0.035 0.000 0.990 260 Y HN 0.482 nan 8.280 nan 0.000 0.537 261 T N -1.019 113.051 114.554 -0.806 0.000 2.699 261 T HA -0.321 4.029 4.350 0.000 0.000 0.268 261 T C 1.789 176.377 174.700 -0.187 0.000 1.036 261 T CA 1.942 63.762 62.100 -0.466 0.000 1.147 261 T CB -0.556 68.098 68.868 -0.357 0.000 0.862 261 T HN 0.488 nan 8.240 nan 0.000 0.446 262 K N 1.028 121.339 120.400 -0.147 0.000 2.057 262 K HA -0.132 4.188 4.320 0.000 0.000 0.207 262 K C 2.714 179.267 176.600 -0.079 0.000 1.049 262 K CA 1.870 58.101 56.287 -0.093 0.000 0.931 262 K CB -0.580 31.810 32.500 -0.184 0.000 0.714 262 K HN 0.623 nan 8.250 nan 0.000 0.440 263 T N -0.689 113.820 114.554 -0.075 0.000 2.777 263 T HA -0.095 4.255 4.350 0.000 0.000 0.266 263 T C 1.938 176.590 174.700 -0.081 0.000 1.040 263 T CA 1.219 63.285 62.100 -0.056 0.000 1.141 263 T CB -0.358 68.496 68.868 -0.024 0.000 0.868 263 T HN 0.212 nan 8.240 nan 0.000 0.444 264 I N 0.933 121.449 120.570 -0.091 0.000 2.091 264 I HA -0.176 3.994 4.170 0.000 0.000 0.239 264 I C 2.721 178.666 176.117 -0.288 0.000 1.061 264 I CA 1.618 62.829 61.300 -0.148 0.000 1.317 264 I CB -0.489 37.449 38.000 -0.103 0.000 1.031 264 I HN 0.268 nan 8.210 nan 0.000 0.401 265 L N 0.382 121.395 121.223 -0.350 0.000 1.978 265 L HA -0.315 4.025 4.340 0.000 0.000 0.218 265 L C 2.617 179.310 176.870 -0.294 0.000 1.075 265 L CA 1.861 56.425 54.840 -0.460 0.000 0.767 265 L CB -0.662 41.217 42.059 -0.300 0.000 0.890 265 L HN 0.309 nan 8.230 nan 0.000 0.434 266 E N -0.689 119.429 120.200 -0.136 0.000 2.118 266 E HA -0.298 4.052 4.350 0.000 0.000 0.195 266 E C 2.045 178.579 176.600 -0.110 0.000 0.992 266 E CA 1.408 57.760 56.400 -0.079 0.000 0.804 266 E CB -0.109 29.580 29.700 -0.017 0.000 0.741 266 E HN 0.510 nan 8.360 nan 0.000 0.458 267 E N 0.772 120.896 120.200 -0.126 0.000 2.106 267 E HA -0.159 4.191 4.350 0.000 0.000 0.192 267 E C 1.944 178.459 176.600 -0.141 0.000 0.984 267 E CA 0.680 57.012 56.400 -0.112 0.000 0.806 267 E CB 0.112 29.756 29.700 -0.094 0.000 0.750 267 E HN 0.232 nan 8.360 nan 0.000 0.458 268 L N -0.407 120.688 121.223 -0.214 0.000 2.477 268 L HA 0.275 4.615 4.340 0.000 0.000 0.220 268 L C 1.127 177.858 176.870 -0.233 0.000 1.106 268 L CA 0.341 55.043 54.840 -0.230 0.000 0.851 268 L CB 0.693 42.558 42.059 -0.323 0.000 0.994 268 L HN 0.148 nan 8.230 nan 0.000 0.462 269 G N -1.462 107.185 108.800 -0.254 0.000 2.619 269 G HA2 0.280 4.240 3.960 0.000 0.000 0.305 269 G HA3 0.280 4.240 3.960 0.000 0.000 0.305 269 G C -1.339 173.443 174.900 -0.197 0.000 1.330 269 G CA -0.493 44.471 45.100 -0.227 0.000 0.789 269 G HN -0.238 nan 8.290 nan 0.000 0.487 270 E N 1.296 121.388 120.200 -0.180 0.000 1.932 270 E HA 0.262 4.612 4.350 0.000 0.000 0.259 270 E C -0.231 176.263 176.600 -0.178 0.000 1.099 270 E CA -0.260 56.060 56.400 -0.133 0.000 0.970 270 E CB 0.676 30.328 29.700 -0.080 0.000 1.143 270 E HN 0.215 nan 8.360 nan 0.000 0.441 271 I N 2.020 122.452 120.570 -0.230 0.000 2.328 271 I HA 0.300 4.470 4.170 0.000 0.000 0.287 271 I C 0.654 176.493 176.117 -0.463 0.000 1.012 271 I CA -1.066 59.990 61.300 -0.406 0.000 1.195 271 I CB 0.637 38.300 38.000 -0.562 0.000 1.350 271 I HN 0.134 nan 8.210 nan 0.000 0.464 272 A N 6.614 129.171 122.820 -0.438 0.000 2.371 272 A HA 0.617 4.937 4.320 0.000 0.000 0.257 272 A C -0.754 176.389 177.584 -0.735 0.000 1.089 272 A CA -0.075 51.734 52.037 -0.379 0.000 0.794 272 A CB 0.039 18.900 19.000 -0.231 0.000 1.029 272 A HN 0.487 nan 8.150 nan 0.000 0.488 273 F N 2.356 122.220 119.950 -0.144 0.000 2.363 273 F HA 0.287 4.814 4.527 0.000 0.000 0.366 273 F C -0.316 175.565 175.800 0.134 0.000 1.083 273 F CA -0.467 57.491 58.000 -0.070 0.000 1.176 273 F CB 0.623 39.629 39.000 0.010 0.000 1.432 273 F HN 0.536 nan 8.300 nan 0.000 0.482 274 W N 2.468 123.903 121.300 0.225 0.000 2.184 274 W HA 0.384 5.044 4.660 -0.000 0.000 0.338 274 W C 0.059 176.710 176.519 0.219 0.000 1.257 274 W CA -1.312 56.162 57.345 0.214 0.000 1.243 274 W CB 0.548 30.141 29.460 0.221 0.000 1.122 274 W HN 0.184 nan 8.180 nan 0.000 0.585 275 K N 2.659 123.311 120.400 0.420 0.000 2.425 275 K HA 0.346 4.666 4.320 0.000 0.000 0.259 275 K C -0.665 176.066 176.600 0.218 0.000 0.978 275 K CA -1.000 55.458 56.287 0.285 0.000 0.883 275 K CB 1.467 34.091 32.500 0.206 0.000 1.110 275 K HN -0.035 nan 8.250 nan 0.000 0.436 276 L N 1.642 122.997 121.223 0.219 0.000 2.379 276 L HA 0.364 4.704 4.340 0.000 0.000 0.269 276 L C 0.516 177.445 176.870 0.099 0.000 1.084 276 L CA -0.262 54.660 54.840 0.137 0.000 0.802 276 L CB 1.192 43.340 42.059 0.149 0.000 1.175 276 L HN 0.723 nan 8.230 nan 0.000 0.448 277 A N 4.806 127.661 122.820 0.058 0.000 3.157 277 A HA 0.561 4.881 4.320 0.000 0.000 0.276 277 A C -0.081 177.536 177.584 0.056 0.000 1.524 277 A CA -0.273 51.791 52.037 0.045 0.000 1.236 277 A CB -0.984 18.026 19.000 0.017 0.000 1.173 277 A HN 0.601 nan 8.150 nan 0.000 0.595 278 I N -2.981 117.641 120.570 0.087 0.000 3.264 278 I HA 0.827 4.997 4.170 0.000 0.000 0.315 278 I C -0.846 175.341 176.117 0.117 0.000 1.154 278 I CA -1.323 60.054 61.300 0.128 0.000 0.962 278 I CB 2.446 40.552 38.000 0.176 0.000 1.265 278 I HN 0.113 nan 8.210 nan 0.000 0.463 279 K N 2.803 123.294 120.400 0.152 0.000 2.575 279 K HA 0.498 4.818 4.320 0.000 0.000 0.255 279 K C -3.070 173.629 176.600 0.166 0.000 0.953 279 K CA -1.329 55.023 56.287 0.110 0.000 0.840 279 K CB 2.636 35.156 32.500 0.034 0.000 1.303 279 K HN 0.464 nan 8.250 nan 0.000 0.438 280 P HA 0.394 nan 4.420 nan 0.000 0.276 280 P C 0.097 177.528 177.300 0.218 0.000 1.244 280 P CA 0.500 63.700 63.100 0.166 0.000 0.801 280 P CB 1.283 33.160 31.700 0.295 0.000 1.006 281 G N 0.413 109.352 108.800 0.232 0.000 2.352 281 G HA2 0.046 4.006 3.960 0.000 0.000 0.324 281 G HA3 0.046 4.006 3.960 0.000 0.000 0.324 281 G C -0.233 174.801 174.900 0.224 0.000 1.249 281 G CA 0.382 45.671 45.100 0.314 0.000 1.053 281 G HN 0.840 nan 8.290 nan 0.000 0.492 282 K N -1.897 118.651 120.400 0.247 0.000 2.602 282 K HA 0.122 4.442 4.320 0.000 0.000 0.197 282 K C -2.681 174.084 176.600 0.274 0.000 2.527 282 K CA 0.741 57.159 56.287 0.218 0.000 1.397 282 K CB -0.300 32.313 32.500 0.188 0.000 2.793 282 K HN 0.589 nan 8.250 nan 0.000 0.447 283 P HA 0.335 nan 4.420 nan 0.000 0.290 283 P C -1.300 176.250 177.300 0.417 0.000 1.276 283 P CA -0.102 63.200 63.100 0.337 0.000 0.808 283 P CB 0.724 32.596 31.700 0.286 0.000 0.966 284 F N 1.810 121.902 119.950 0.237 0.000 2.645 284 F HA 0.734 5.261 4.527 -0.000 0.000 0.310 284 F C -1.753 174.100 175.800 0.089 0.000 1.102 284 F CA -1.180 56.924 58.000 0.174 0.000 0.952 284 F CB 1.576 40.705 39.000 0.216 0.000 1.326 284 F HN 0.432 nan 8.300 nan 0.000 0.456 285 A N 3.997 126.275 122.820 -0.904 0.000 2.359 285 A HA 0.792 5.112 4.320 0.000 0.000 0.303 285 A C -2.273 174.705 177.584 -1.010 0.000 1.066 285 A CA -0.467 51.096 52.037 -0.789 0.000 0.730 285 A CB 0.859 19.659 19.000 -0.334 0.000 1.211 285 A HN 0.925 nan 8.150 nan 0.000 0.439 286 F N 1.714 121.025 119.950 -1.066 0.000 2.628 286 F HA 0.727 5.254 4.527 -0.000 0.000 0.309 286 F C 0.033 175.574 175.800 -0.431 0.000 1.108 286 F CA 0.760 58.313 58.000 -0.744 0.000 0.971 286 F CB 1.946 40.441 39.000 -0.842 0.000 1.279 286 F HN 1.308 nan 8.300 nan 0.000 0.441 287 G N 4.016 112.131 108.800 -1.141 0.000 2.313 287 G HA2 0.243 4.203 3.960 0.000 0.000 0.296 287 G HA3 0.243 4.203 3.960 0.000 0.000 0.296 287 G C -2.346 172.318 174.900 -0.394 0.000 1.356 287 G CA -1.118 43.610 45.100 -0.620 0.000 0.833 287 G HN 0.591 nan 8.290 nan 0.000 0.552 288 K N 0.441 120.665 120.400 -0.292 0.000 2.201 288 K HA 0.570 4.890 4.320 0.000 0.000 0.278 288 K C 0.165 176.572 176.600 -0.321 0.000 1.027 288 K CA -0.352 55.658 56.287 -0.462 0.000 0.909 288 K CB 1.053 33.213 32.500 -0.567 0.000 1.062 288 K HN 0.393 nan 8.250 nan 0.000 0.465 289 L N 0.876 121.931 121.223 -0.281 0.000 2.635 289 L HA 0.223 4.563 4.340 0.000 0.000 0.250 289 L C 1.965 178.706 176.870 -0.215 0.000 1.117 289 L CA -0.543 54.168 54.840 -0.214 0.000 0.834 289 L CB 0.369 42.353 42.059 -0.126 0.000 1.544 289 L HN 0.629 nan 8.230 nan 0.000 0.511 290 S N 0.147 115.755 115.700 -0.153 0.000 2.365 290 S HA -0.149 4.321 4.470 0.000 0.000 0.225 290 S C 0.906 175.414 174.600 -0.153 0.000 1.039 290 S CA 1.681 59.801 58.200 -0.134 0.000 1.033 290 S CB -0.297 62.851 63.200 -0.087 0.000 0.887 290 S HN 0.643 nan 8.310 nan 0.000 0.447 291 N N 0.570 119.187 118.700 -0.140 0.000 2.240 291 N HA 0.179 4.919 4.740 0.000 0.000 0.240 291 N C -0.716 174.697 175.510 -0.161 0.000 1.277 291 N CA 0.197 53.165 53.050 -0.137 0.000 0.873 291 N CB 1.163 39.608 38.487 -0.071 0.000 1.222 291 N HN 0.440 nan 8.380 nan 0.000 0.507 292 S N -0.859 114.701 115.700 -0.234 0.000 2.567 292 S HA 0.525 4.995 4.470 0.000 0.000 0.270 292 S C -1.568 172.850 174.600 -0.304 0.000 1.152 292 S CA -0.933 57.157 58.200 -0.184 0.000 0.835 292 S CB 1.203 64.397 63.200 -0.009 0.000 1.115 292 S HN 0.183 nan 8.310 nan 0.000 0.459 293 W N 1.097 122.390 121.300 -0.012 0.000 2.283 293 W HA 0.711 5.371 4.660 -0.000 0.000 0.341 293 W C -0.298 176.204 176.519 -0.028 0.000 1.206 293 W CA -0.472 56.822 57.345 -0.084 0.000 1.294 293 W CB 0.777 30.214 29.460 -0.038 0.000 1.154 293 W HN 0.650 nan 8.180 nan 0.000 0.613 294 F N 2.013 121.951 119.950 -0.020 0.000 2.556 294 F HA 0.663 5.190 4.527 -0.000 0.000 0.314 294 F C -1.161 174.563 175.800 -0.126 0.000 1.106 294 F CA -1.294 56.668 58.000 -0.063 0.000 0.911 294 F CB 0.805 39.742 39.000 -0.105 0.000 1.190 294 F HN 0.254 nan 8.300 nan 0.000 0.448 295 C N 3.552 122.203 119.300 -1.082 0.000 2.498 295 C HA 0.890 5.350 4.460 0.000 0.000 0.316 295 C C 0.235 174.411 174.990 -1.357 0.000 1.209 295 C CA -0.838 57.656 59.018 -0.873 0.000 1.518 295 C CB 1.005 28.660 27.740 -0.143 0.000 2.147 295 C HN 1.122 nan 8.230 nan 0.000 0.483 296 G N 2.648 110.877 108.800 -0.952 0.000 2.544 296 G HA2 0.672 4.632 3.960 0.000 0.000 0.313 296 G HA3 0.672 4.632 3.960 0.000 0.000 0.313 296 G C -1.051 173.821 174.900 -0.046 0.000 1.316 296 G CA -0.323 44.545 45.100 -0.387 0.000 0.944 296 G HN 0.680 nan 8.290 nan 0.000 0.489 297 L N 3.107 124.377 121.223 0.078 0.000 2.375 297 L HA 0.500 4.840 4.340 0.000 0.000 0.268 297 L C -1.649 175.332 176.870 0.185 0.000 1.058 297 L CA -2.096 52.871 54.840 0.212 0.000 0.803 297 L CB 2.109 44.269 42.059 0.168 0.000 1.212 297 L HN 0.320 nan 8.230 nan 0.000 0.451 298 P HA 0.010 nan 4.420 nan 0.000 0.271 298 P C 0.352 177.718 177.300 0.110 0.000 1.244 298 P CA -0.181 63.026 63.100 0.178 0.000 0.793 298 P CB 0.597 32.425 31.700 0.215 0.000 0.984 299 G N 0.327 109.166 108.800 0.064 0.000 2.408 299 G HA2 -0.146 3.813 3.960 0.000 0.000 0.215 299 G HA3 -0.146 3.813 3.960 0.000 0.000 0.215 299 G C 0.704 175.581 174.900 -0.038 0.000 1.156 299 G CA 0.255 45.362 45.100 0.012 0.000 0.793 299 G HN 0.660 nan 8.290 nan 0.000 0.535 300 N N 0.921 119.561 118.700 -0.100 0.000 2.492 300 N HA 0.189 4.929 4.740 0.000 0.000 0.262 300 N C -1.299 174.206 175.510 -0.009 0.000 1.202 300 N CA -1.041 51.890 53.050 -0.197 0.000 0.926 300 N CB 1.693 39.854 38.487 -0.545 0.000 1.078 300 N HN -0.144 nan 8.380 nan 0.000 0.454 301 P HA -0.159 nan 4.420 nan 0.000 0.215 301 P C 1.120 178.638 177.300 0.362 0.000 1.157 301 P CA 0.827 64.024 63.100 0.162 0.000 0.863 301 P CB 0.160 31.952 31.700 0.153 0.000 0.787 302 V N -0.107 120.050 119.914 0.405 0.000 2.407 302 V HA -0.210 3.910 4.120 0.000 0.000 0.248 302 V C 2.295 178.626 176.094 0.395 0.000 1.055 302 V CA 2.391 64.976 62.300 0.476 0.000 1.049 302 V CB -1.558 30.533 31.823 0.446 0.000 0.662 302 V HN 0.156 nan 8.190 nan 0.000 0.455 303 S N 0.867 116.774 115.700 0.345 0.000 2.371 303 S HA -0.057 4.413 4.470 0.000 0.000 0.224 303 S C 2.195 176.940 174.600 0.241 0.000 1.029 303 S CA 1.218 59.607 58.200 0.316 0.000 0.978 303 S CB -0.450 62.964 63.200 0.355 0.000 0.833 303 S HN 0.630 nan 8.310 nan 0.000 0.466 304 A N 1.501 124.447 122.820 0.209 0.000 1.968 304 A HA -0.017 4.303 4.320 0.000 0.000 0.217 304 A C 2.270 179.973 177.584 0.199 0.000 1.169 304 A CA 1.647 53.794 52.037 0.183 0.000 0.638 304 A CB -1.093 17.983 19.000 0.127 0.000 0.812 304 A HN 0.441 nan 8.150 nan 0.000 0.446 305 T N 0.354 115.028 114.554 0.200 0.000 2.668 305 T HA -0.091 4.259 4.350 0.000 0.000 0.262 305 T C 1.881 176.736 174.700 0.258 0.000 1.045 305 T CA 1.242 63.453 62.100 0.184 0.000 1.152 305 T CB -0.362 68.508 68.868 0.003 0.000 0.864 305 T HN 0.290 nan 8.240 nan 0.000 0.419 306 L N 1.292 122.660 121.223 0.242 0.000 2.042 306 L HA -0.146 4.194 4.340 0.000 0.000 0.210 306 L C 2.259 179.135 176.870 0.010 0.000 1.076 306 L CA 2.035 56.959 54.840 0.139 0.000 0.749 306 L CB -1.501 40.649 42.059 0.152 0.000 0.893 306 L HN 0.341 nan 8.230 nan 0.000 0.432 307 T N -0.258 114.327 114.554 0.052 0.000 2.777 307 T HA -0.204 4.146 4.350 0.000 0.000 0.266 307 T C 1.589 176.250 174.700 -0.065 0.000 1.040 307 T CA 1.463 63.521 62.100 -0.071 0.000 1.141 307 T CB -0.497 68.359 68.868 -0.019 0.000 0.868 307 T HN 0.382 nan 8.240 nan 0.000 0.444 308 F N 0.953 120.889 119.950 -0.023 0.000 2.069 308 F HA -0.154 4.373 4.527 -0.000 0.000 0.298 308 F C 2.170 177.969 175.800 -0.002 0.000 1.113 308 F CA 1.097 59.092 58.000 -0.009 0.000 1.214 308 F CB -0.612 38.409 39.000 0.035 0.000 0.978 308 F HN 0.166 nan 8.300 nan 0.000 0.474 309 Y N 0.588 120.907 120.300 0.031 0.000 2.224 309 Y HA -0.240 4.310 4.550 -0.000 0.000 0.289 309 Y C 2.292 178.061 175.900 -0.217 0.000 1.146 309 Y CA 1.935 60.010 58.100 -0.041 0.000 1.182 309 Y CB -0.138 38.426 38.460 0.174 0.000 0.983 309 Y HN 0.148 nan 8.280 nan 0.000 0.524 310 Q N -0.897 118.872 119.800 -0.052 0.000 2.376 310 Q HA 0.097 4.437 4.340 0.000 0.000 0.206 310 Q C 1.854 177.701 176.000 -0.255 0.000 0.921 310 Q CA 0.664 56.352 55.803 -0.191 0.000 0.911 310 Q CB 0.763 29.256 28.738 -0.407 0.000 1.032 310 Q HN 0.523 nan 8.270 nan 0.000 0.510 311 L N -1.240 119.785 121.223 -0.330 0.000 2.590 311 L HA 0.076 4.416 4.340 0.000 0.000 0.181 311 L C 2.120 178.776 176.870 -0.357 0.000 1.134 311 L CA 0.243 54.859 54.840 -0.373 0.000 0.850 311 L CB -0.240 41.449 42.059 -0.617 0.000 1.172 311 L HN -0.138 nan 8.230 nan 0.000 0.498 312 V N 0.233 119.891 119.914 -0.426 0.000 2.427 312 V HA -0.284 3.836 4.120 0.000 0.000 0.248 312 V C 2.367 178.124 176.094 -0.561 0.000 1.051 312 V CA 1.740 63.781 62.300 -0.432 0.000 1.048 312 V CB -0.444 31.121 31.823 -0.430 0.000 0.666 312 V HN 0.482 nan 8.190 nan 0.000 0.456 313 Q N 0.230 119.589 119.800 -0.736 0.000 2.002 313 Q HA -0.189 4.151 4.340 0.000 0.000 0.204 313 Q C -0.062 175.738 176.000 -0.334 0.000 0.988 313 Q CA 2.555 58.016 55.803 -0.570 0.000 0.843 313 Q CB -0.974 27.409 28.738 -0.593 0.000 0.908 313 Q HN 0.523 nan 8.270 nan 0.000 0.420 314 P HA -0.193 nan 4.420 nan 0.000 0.216 314 P C 1.494 178.686 177.300 -0.179 0.000 1.150 314 P CA 1.082 64.062 63.100 -0.200 0.000 0.837 314 P CB -0.192 31.401 31.700 -0.178 0.000 0.786 315 L N -0.888 120.214 121.223 -0.201 0.000 2.046 315 L HA -0.131 4.209 4.340 0.000 0.000 0.208 315 L C 2.548 179.339 176.870 -0.133 0.000 1.077 315 L CA 1.496 56.233 54.840 -0.172 0.000 0.747 315 L CB -0.766 41.200 42.059 -0.155 0.000 0.896 315 L HN -0.174 nan 8.230 nan 0.000 0.432 316 L N -0.625 120.517 121.223 -0.136 0.000 2.141 316 L HA -0.143 4.197 4.340 0.000 0.000 0.209 316 L C 2.772 179.597 176.870 -0.075 0.000 1.094 316 L CA 0.872 55.661 54.840 -0.085 0.000 0.763 316 L CB -0.843 41.164 42.059 -0.086 0.000 0.908 316 L HN 0.356 nan 8.230 nan 0.000 0.437 317 A N 0.456 123.215 122.820 -0.101 0.000 1.877 317 A HA -0.265 4.055 4.320 0.000 0.000 0.216 317 A C 2.393 179.940 177.584 -0.061 0.000 1.186 317 A CA 2.104 54.093 52.037 -0.080 0.000 0.620 317 A CB -0.397 18.547 19.000 -0.093 0.000 0.822 317 A HN 0.333 nan 8.150 nan 0.000 0.443 318 K N -0.534 119.824 120.400 -0.070 0.000 2.062 318 K HA 0.057 4.377 4.320 0.000 0.000 0.205 318 K C 1.876 178.456 176.600 -0.032 0.000 1.051 318 K CA 1.018 57.272 56.287 -0.055 0.000 0.941 318 K CB -0.293 32.163 32.500 -0.074 0.000 0.719 318 K HN 0.407 nan 8.250 nan 0.000 0.440 319 L N 1.169 122.373 121.223 -0.031 0.000 2.191 319 L HA -0.170 4.170 4.340 0.000 0.000 0.212 319 L C 2.335 179.214 176.870 0.015 0.000 1.103 319 L CA 1.531 56.376 54.840 0.008 0.000 0.769 319 L CB -0.329 41.742 42.059 0.020 0.000 0.908 319 L HN 0.409 nan 8.230 nan 0.000 0.438 320 S N -1.249 114.448 115.700 -0.004 0.000 2.453 320 S HA -0.004 4.466 4.470 0.000 0.000 0.231 320 S C 1.567 176.166 174.600 -0.002 0.000 1.005 320 S CA 0.872 59.071 58.200 -0.002 0.000 0.949 320 S CB 0.301 63.492 63.200 -0.015 0.000 0.774 320 S HN 0.588 nan 8.310 nan 0.000 0.510 321 G N 0.930 109.728 108.800 -0.004 0.000 2.218 321 G HA2 -0.220 3.740 3.960 0.000 0.000 0.216 321 G HA3 -0.220 3.740 3.960 0.000 0.000 0.216 321 G C -0.070 174.822 174.900 -0.012 0.000 0.994 321 G CA -0.046 45.052 45.100 -0.003 0.000 0.637 321 G HN 0.644 nan 8.290 nan 0.000 0.505 322 N N 1.426 120.112 118.700 -0.022 0.000 2.492 322 N HA 0.329 5.069 4.740 0.000 0.000 0.262 322 N C 1.708 177.203 175.510 -0.025 0.000 1.202 322 N CA 1.071 54.103 53.050 -0.029 0.000 0.926 322 N CB 1.222 39.686 38.487 -0.038 0.000 1.078 322 N HN 0.466 nan 8.380 nan 0.000 0.454 323 T N -0.126 114.416 114.554 -0.020 0.000 3.060 323 T HA 0.319 4.669 4.350 0.000 0.000 0.249 323 T C 0.654 175.343 174.700 -0.018 0.000 1.079 323 T CA -0.230 61.861 62.100 -0.016 0.000 1.013 323 T CB 0.063 68.926 68.868 -0.007 0.000 0.975 323 T HN 0.488 nan 8.240 nan 0.000 0.518 324 A N 2.507 125.314 122.820 -0.021 0.000 2.362 324 A HA 0.578 4.898 4.320 0.000 0.000 0.276 324 A C 0.722 178.289 177.584 -0.029 0.000 1.153 324 A CA -0.546 51.478 52.037 -0.020 0.000 0.813 324 A CB 0.016 19.005 19.000 -0.019 0.000 1.081 324 A HN 0.635 nan 8.150 nan 0.000 0.507 325 S N 2.560 118.244 115.700 -0.027 0.000 2.571 325 S HA 0.246 4.716 4.470 0.000 0.000 0.297 325 S C 0.721 175.297 174.600 -0.039 0.000 1.234 325 S CA 0.011 58.188 58.200 -0.038 0.000 1.120 325 S CB 0.195 63.374 63.200 -0.035 0.000 0.923 325 S HN 1.335 nan 8.310 nan 0.000 0.504 326 G N 3.330 112.095 108.800 -0.059 0.000 3.008 326 G HA2 0.464 4.424 3.960 0.000 0.000 0.272 326 G HA3 0.464 4.424 3.960 0.000 0.000 0.272 326 G C -0.655 174.194 174.900 -0.085 0.000 0.764 326 G CA -0.252 44.809 45.100 -0.066 0.000 2.029 326 G HN 0.640 nan 8.290 nan 0.000 0.587 327 L N 1.324 122.521 121.223 -0.043 0.000 2.556 327 L HA 0.558 4.898 4.340 0.000 0.000 0.257 327 L C -2.267 174.634 176.870 0.052 0.000 0.955 327 L CA -1.780 53.050 54.840 -0.017 0.000 0.850 327 L CB 2.454 44.502 42.059 -0.019 0.000 1.398 327 L HN 0.118 nan 8.230 nan 0.000 0.412 328 P HA 0.515 nan 4.420 nan 0.000 0.273 328 P C -1.149 176.224 177.300 0.121 0.000 1.250 328 P CA -0.485 62.698 63.100 0.137 0.000 0.793 328 P CB 0.452 32.279 31.700 0.212 0.000 1.011 329 A N 1.091 123.971 122.820 0.100 0.000 2.252 329 A HA 0.561 4.881 4.320 0.000 0.000 0.305 329 A C 0.238 177.877 177.584 0.091 0.000 1.097 329 A CA -0.586 51.497 52.037 0.076 0.000 0.849 329 A CB 0.532 19.563 19.000 0.051 0.000 1.142 329 A HN 0.476 nan 8.150 nan 0.000 0.499 330 R N -0.325 120.216 120.500 0.067 0.000 2.758 330 R HA 0.543 4.883 4.340 0.000 0.000 0.265 330 R C -0.677 175.647 176.300 0.040 0.000 1.016 330 R CA -0.569 55.570 56.100 0.065 0.000 1.040 330 R CB 1.376 31.706 30.300 0.050 0.000 1.152 330 R HN 0.931 nan 8.270 nan 0.000 0.503 331 Q N 0.350 120.173 119.800 0.038 0.000 2.553 331 Q HA 0.467 4.807 4.340 0.000 0.000 0.293 331 Q C -1.146 174.872 176.000 0.029 0.000 1.038 331 Q CA -1.145 54.672 55.803 0.024 0.000 0.777 331 Q CB 2.250 31.006 28.738 0.030 0.000 1.487 331 Q HN 0.433 nan 8.270 nan 0.000 0.426 332 R N 1.007 121.517 120.500 0.017 0.000 2.312 332 R HA 0.694 5.034 4.340 0.000 0.000 0.311 332 R C -1.601 174.815 176.300 0.192 0.000 1.004 332 R CA -0.403 55.727 56.100 0.051 0.000 0.902 332 R CB 1.472 31.706 30.300 -0.111 0.000 1.073 332 R HN 0.531 nan 8.270 nan 0.000 0.457 333 V N 4.033 124.133 119.914 0.310 0.000 3.120 333 V HA 0.417 4.537 4.120 0.000 0.000 0.303 333 V C -0.674 175.551 176.094 0.219 0.000 1.238 333 V CA -0.919 61.556 62.300 0.291 0.000 1.008 333 V CB 2.535 34.431 31.823 0.123 0.000 1.064 333 V HN 0.799 nan 8.190 nan 0.000 0.434 334 R N 0.929 121.430 120.500 0.002 0.000 2.459 334 R HA 0.574 4.914 4.340 0.000 0.000 0.281 334 R C -0.597 175.626 176.300 -0.128 0.000 1.050 334 R CA -0.379 55.587 56.100 -0.225 0.000 1.055 334 R CB 1.480 31.518 30.300 -0.435 0.000 1.045 334 R HN 0.797 nan 8.270 nan 0.000 0.495 335 T N 1.366 115.839 114.554 -0.134 0.000 2.806 335 T HA 0.225 4.575 4.350 0.000 0.000 0.290 335 T C 0.841 175.478 174.700 -0.106 0.000 0.966 335 T CA -0.548 61.493 62.100 -0.098 0.000 1.060 335 T CB 1.714 70.530 68.868 -0.085 0.000 0.927 335 T HN 0.684 nan 8.240 nan 0.000 0.485 336 A N 2.627 125.395 122.820 -0.087 0.000 2.275 336 A HA 0.431 4.751 4.320 0.000 0.000 0.212 336 A C 1.071 178.614 177.584 -0.069 0.000 1.201 336 A CA -0.171 51.819 52.037 -0.079 0.000 0.843 336 A CB 0.200 19.159 19.000 -0.068 0.000 0.873 336 A HN 0.608 nan 8.150 nan 0.000 0.492 337 S N -0.467 115.192 115.700 -0.069 0.000 2.513 337 S HA 0.474 4.944 4.470 0.000 0.000 0.299 337 S C -0.097 174.465 174.600 -0.063 0.000 1.087 337 S CA -0.701 57.461 58.200 -0.062 0.000 1.012 337 S CB 1.549 64.712 63.200 -0.062 0.000 1.044 337 S HN 0.538 nan 8.310 nan 0.000 0.485 338 R N 2.426 122.892 120.500 -0.058 0.000 2.442 338 R HA 0.326 4.666 4.340 0.000 0.000 0.291 338 R C -1.155 175.110 176.300 -0.058 0.000 1.069 338 R CA -0.059 56.007 56.100 -0.056 0.000 1.022 338 R CB 0.130 30.399 30.300 -0.050 0.000 0.976 338 R HN 0.549 nan 8.270 nan 0.000 0.443 339 L N 4.859 126.048 121.223 -0.056 0.000 2.296 339 L HA 0.380 4.720 4.340 0.000 0.000 0.286 339 L C -0.181 176.655 176.870 -0.057 0.000 1.023 339 L CA -0.843 53.962 54.840 -0.058 0.000 0.812 339 L CB 1.725 43.752 42.059 -0.054 0.000 1.223 339 L HN 0.483 nan 8.230 nan 0.000 0.421 340 K N 3.362 123.723 120.400 -0.064 0.000 2.349 340 K HA 0.308 4.628 4.320 0.000 0.000 0.288 340 K C -0.485 176.080 176.600 -0.058 0.000 1.058 340 K CA -0.057 56.192 56.287 -0.063 0.000 0.953 340 K CB 0.630 33.083 32.500 -0.079 0.000 0.997 340 K HN 0.278 nan 8.250 nan 0.000 0.477 341 K N 1.287 121.656 120.400 -0.050 0.000 2.550 341 K HA 0.277 4.597 4.320 0.000 0.000 0.252 341 K C -1.511 175.064 176.600 -0.041 0.000 0.943 341 K CA -0.391 55.868 56.287 -0.047 0.000 0.806 341 K CB 1.595 34.067 32.500 -0.047 0.000 1.289 341 K HN 0.369 nan 8.250 nan 0.000 0.435 342 T N 5.973 120.504 114.554 -0.040 0.000 2.795 342 T HA 0.483 4.833 4.350 0.000 0.000 0.282 342 T C -2.535 172.146 174.700 -0.032 0.000 0.980 342 T CA -1.456 60.623 62.100 -0.034 0.000 1.012 342 T CB 1.335 70.182 68.868 -0.035 0.000 0.936 342 T HN 0.457 nan 8.240 nan 0.000 0.457 343 P HA 0.356 nan 4.420 nan 0.000 0.270 343 P C 1.080 178.367 177.300 -0.022 0.000 1.223 343 P CA 0.461 63.545 63.100 -0.026 0.000 0.785 343 P CB 0.431 32.118 31.700 -0.022 0.000 0.923 344 G N 0.487 109.275 108.800 -0.021 0.000 2.436 344 G HA2 -0.153 3.807 3.960 0.000 0.000 0.204 344 G HA3 -0.153 3.807 3.960 0.000 0.000 0.204 344 G C 0.011 174.904 174.900 -0.012 0.000 1.026 344 G CA -0.441 44.650 45.100 -0.014 0.000 0.658 344 G HN 0.586 nan 8.290 nan 0.000 0.499 345 R N -0.081 120.408 120.500 -0.017 0.000 2.538 345 R HA 0.483 4.823 4.340 0.000 0.000 0.292 345 R C -0.884 175.400 176.300 -0.026 0.000 1.008 345 R CA -0.972 55.122 56.100 -0.009 0.000 0.896 345 R CB 2.205 32.506 30.300 0.001 0.000 1.187 345 R HN 0.250 nan 8.270 nan 0.000 0.440 346 L N 3.293 124.497 121.223 -0.032 0.000 2.700 346 L HA -0.020 4.320 4.340 0.000 0.000 0.272 346 L C -0.345 176.476 176.870 -0.080 0.000 1.176 346 L CA 0.842 55.628 54.840 -0.090 0.000 0.961 346 L CB -0.194 41.809 42.059 -0.093 0.000 1.249 346 L HN 0.455 nan 8.230 nan 0.000 0.487 347 D N 4.986 125.311 120.400 -0.125 0.000 2.392 347 D HA 0.160 4.800 4.640 0.000 0.000 0.228 347 D C -0.774 175.475 176.300 -0.084 0.000 1.074 347 D CA -0.246 53.729 54.000 -0.042 0.000 0.838 347 D CB 0.299 41.078 40.800 -0.035 0.000 1.067 347 D HN 0.318 nan 8.370 nan 0.000 0.511 348 F N 3.523 123.477 119.950 0.006 0.000 2.605 348 F HA 0.167 4.694 4.527 0.000 0.000 0.352 348 F C 1.431 177.314 175.800 0.137 0.000 1.236 348 F CA -0.381 57.650 58.000 0.051 0.000 1.267 348 F CB 0.074 39.037 39.000 -0.062 0.000 1.632 348 F HN 0.131 nan 8.300 nan 0.000 0.639 349 Q N 1.610 121.523 119.800 0.188 0.000 2.500 349 Q HA 0.435 4.775 4.340 0.000 0.000 0.215 349 Q C -0.038 175.999 176.000 0.062 0.000 1.062 349 Q CA -0.454 55.402 55.803 0.088 0.000 0.996 349 Q CB 0.861 29.600 28.738 0.002 0.000 1.239 349 Q HN 0.458 nan 8.270 nan 0.000 0.578 350 R N -0.869 119.573 120.500 -0.098 0.000 2.599 350 R HA 0.679 5.019 4.340 0.000 0.000 0.295 350 R C -0.593 175.569 176.300 -0.230 0.000 0.963 350 R CA -0.180 55.767 56.100 -0.256 0.000 0.883 350 R CB 2.060 32.137 30.300 -0.371 0.000 1.171 350 R HN 0.758 nan 8.270 nan 0.000 0.450 351 G N 0.309 108.929 108.800 -0.300 0.000 2.721 351 G HA2 0.540 4.500 3.960 0.000 0.000 0.296 351 G HA3 0.540 4.500 3.960 0.000 0.000 0.296 351 G C -1.693 173.045 174.900 -0.269 0.000 1.383 351 G CA -0.475 44.488 45.100 -0.227 0.000 0.788 351 G HN 0.332 nan 8.290 nan 0.000 0.500 352 V N 0.611 120.412 119.914 -0.188 0.000 2.443 352 V HA 0.445 4.565 4.120 0.000 0.000 0.293 352 V C -0.857 175.158 176.094 -0.131 0.000 1.021 352 V CA -0.642 61.559 62.300 -0.166 0.000 0.848 352 V CB 1.331 33.086 31.823 -0.114 0.000 0.998 352 V HN 0.585 nan 8.190 nan 0.000 0.424 353 L N 6.140 127.284 121.223 -0.133 0.000 2.265 353 L HA 0.598 4.938 4.340 0.000 0.000 0.288 353 L C 0.057 176.890 176.870 -0.062 0.000 1.058 353 L CA 0.586 55.373 54.840 -0.088 0.000 0.809 353 L CB 1.143 43.152 42.059 -0.083 0.000 1.179 353 L HN 0.892 nan 8.230 nan 0.000 0.429 354 Q N 4.444 124.216 119.800 -0.046 0.000 2.501 354 Q HA 0.551 4.891 4.340 0.000 0.000 0.288 354 Q C -1.131 174.856 176.000 -0.022 0.000 1.051 354 Q CA -1.084 54.700 55.803 -0.032 0.000 0.788 354 Q CB 1.809 30.526 28.738 -0.034 0.000 1.469 354 Q HN 0.493 nan 8.270 nan 0.000 0.416 355 R N 1.336 121.827 120.500 -0.015 0.000 2.410 355 R HA 0.274 4.614 4.340 0.000 0.000 0.288 355 R C -0.062 176.230 176.300 -0.015 0.000 1.051 355 R CA -0.250 55.844 56.100 -0.010 0.000 1.021 355 R CB 0.647 30.945 30.300 -0.004 0.000 1.032 355 R HN 0.752 nan 8.270 nan 0.000 0.481 356 N N 1.182 119.873 118.700 -0.015 0.000 2.491 356 N HA 0.165 4.905 4.740 0.000 0.000 0.279 356 N C 0.481 175.982 175.510 -0.014 0.000 1.236 356 N CA -0.346 52.693 53.050 -0.019 0.000 0.982 356 N CB 0.454 38.926 38.487 -0.026 0.000 1.194 356 N HN 0.454 nan 8.380 nan 0.000 0.582 357 A N -0.520 122.291 122.820 -0.015 0.000 2.032 357 A HA -0.183 4.137 4.320 0.000 0.000 0.221 357 A C 1.175 178.754 177.584 -0.009 0.000 1.165 357 A CA 1.597 53.627 52.037 -0.011 0.000 0.645 357 A CB -0.727 18.265 19.000 -0.013 0.000 0.807 357 A HN 0.758 nan 8.150 nan 0.000 0.453 358 D N -1.419 118.975 120.400 -0.010 0.000 2.349 358 D HA 0.207 4.847 4.640 0.000 0.000 0.224 358 D C 1.337 177.637 176.300 -0.000 0.000 1.029 358 D CA 0.980 54.977 54.000 -0.005 0.000 0.879 358 D CB 0.062 40.858 40.800 -0.007 0.000 0.906 358 D HN 0.624 nan 8.370 nan 0.000 0.528 359 G N 2.000 110.799 108.800 -0.001 0.000 2.143 359 G HA2 -0.262 3.698 3.960 0.000 0.000 0.249 359 G HA3 -0.262 3.698 3.960 0.000 0.000 0.249 359 G C 0.013 174.918 174.900 0.008 0.000 0.981 359 G CA 0.102 45.204 45.100 0.004 0.000 0.665 359 G HN 0.449 nan 8.290 nan 0.000 0.528 360 E N -0.196 120.007 120.200 0.006 0.000 2.242 360 E HA 0.694 5.044 4.350 0.000 0.000 0.275 360 E C -0.355 176.250 176.600 0.008 0.000 1.002 360 E CA -1.198 55.210 56.400 0.015 0.000 0.841 360 E CB 1.952 31.662 29.700 0.017 0.000 1.109 360 E HN 0.068 nan 8.360 nan 0.000 0.394 361 L N 2.392 123.628 121.223 0.021 0.000 2.349 361 L HA 0.206 4.546 4.340 0.000 0.000 0.275 361 L C -0.078 176.796 176.870 0.006 0.000 1.115 361 L CA 0.515 55.364 54.840 0.014 0.000 0.820 361 L CB 0.409 42.484 42.059 0.028 0.000 1.135 361 L HN 0.764 nan 8.230 nan 0.000 0.445 362 E N 2.872 123.063 120.200 -0.016 0.000 2.412 362 E HA 0.672 5.022 4.350 0.000 0.000 0.279 362 E C -1.781 174.792 176.600 -0.045 0.000 0.984 362 E CA -1.033 55.346 56.400 -0.035 0.000 0.788 362 E CB 1.739 31.406 29.700 -0.054 0.000 1.277 362 E HN 0.219 nan 8.360 nan 0.000 0.455 363 V N -0.472 119.410 119.914 -0.054 0.000 2.555 363 V HA 0.672 4.792 4.120 0.000 0.000 0.302 363 V C -0.273 175.778 176.094 -0.072 0.000 1.038 363 V CA -0.573 61.687 62.300 -0.067 0.000 0.887 363 V CB 1.313 33.096 31.823 -0.067 0.000 0.991 363 V HN 0.777 nan 8.190 nan 0.000 0.434 364 T N 2.039 116.546 114.554 -0.079 0.000 2.940 364 T HA 0.474 4.824 4.350 0.000 0.000 0.288 364 T C 0.120 174.768 174.700 -0.087 0.000 1.033 364 T CA -0.245 61.810 62.100 -0.076 0.000 1.033 364 T CB 1.769 70.597 68.868 -0.067 0.000 1.079 364 T HN 0.984 nan 8.240 nan 0.000 0.496 365 T N 0.714 115.220 114.554 -0.079 0.000 2.899 365 T HA 0.223 4.573 4.350 0.000 0.000 0.295 365 T C 1.646 176.295 174.700 -0.084 0.000 1.033 365 T CA 0.071 62.120 62.100 -0.085 0.000 1.084 365 T CB 0.453 69.277 68.868 -0.073 0.000 0.979 365 T HN 0.776 nan 8.240 nan 0.000 0.532 366 T N 0.817 115.313 114.554 -0.098 0.000 3.043 366 T HA 0.482 4.832 4.350 0.000 0.000 0.263 366 T C 1.207 175.875 174.700 -0.053 0.000 1.094 366 T CA 0.583 62.630 62.100 -0.088 0.000 1.127 366 T CB -0.163 68.632 68.868 -0.121 0.000 0.905 366 T HN 1.102 nan 8.240 nan 0.000 0.490 367 G N 0.283 109.057 108.800 -0.042 0.000 2.366 367 G HA2 0.090 4.050 3.960 0.000 0.000 0.190 367 G HA3 0.090 4.050 3.960 0.000 0.000 0.190 367 G C -1.148 173.763 174.900 0.018 0.000 1.299 367 G CA -0.699 44.399 45.100 -0.003 0.000 1.056 367 G HN 0.575 nan 8.290 nan 0.000 0.468 368 H N 1.569 120.634 119.070 -0.009 0.000 3.070 368 H HA 0.312 4.868 4.556 -0.000 0.000 0.313 368 H C 0.795 176.120 175.328 -0.005 0.000 0.997 368 H CA 0.529 56.590 56.048 0.021 0.000 1.438 368 H CB 0.816 30.628 29.762 0.084 0.000 1.455 368 H HN 0.259 nan 8.280 nan 0.000 0.575 369 Q N 4.090 123.930 119.800 0.067 0.000 2.244 369 Q HA 0.182 4.522 4.340 0.000 0.000 0.239 369 Q C 0.387 176.508 176.000 0.202 0.000 0.890 369 Q CA 0.064 55.913 55.803 0.077 0.000 0.964 369 Q CB 0.535 29.268 28.738 -0.008 0.000 1.076 369 Q HN 0.730 nan 8.270 nan 0.000 0.447 370 G N 0.255 109.345 108.800 0.484 0.000 2.400 370 G HA2 0.218 4.178 3.960 0.000 0.000 0.301 370 G HA3 0.218 4.178 3.960 0.000 0.000 0.301 370 G C 0.220 175.370 174.900 0.416 0.000 1.154 370 G CA -0.613 44.787 45.100 0.500 0.000 0.852 370 G HN 0.458 nan 8.290 nan 0.000 0.511 371 W N 2.693 124.125 121.300 0.220 0.000 3.204 371 W HA 0.043 4.703 4.660 0.000 0.000 0.249 371 W C 0.876 177.505 176.519 0.182 0.000 1.322 371 W CA -0.012 57.436 57.345 0.172 0.000 1.593 371 W CB -1.317 28.248 29.460 0.175 0.000 1.122 371 W HN 0.745 nan 8.180 nan 0.000 0.710 372 H N 0.861 120.186 119.070 0.425 0.000 2.547 372 H HA 0.265 4.821 4.556 0.000 0.000 0.266 372 H C 0.107 175.512 175.328 0.127 0.000 0.988 372 H CA 0.621 56.776 56.048 0.177 0.000 1.147 372 H CB -0.789 29.056 29.762 0.139 0.000 1.365 372 H HN 0.362 nan 8.280 nan 0.000 0.589 373 I N -5.233 115.237 120.570 -0.166 0.000 2.913 373 I HA 0.298 4.468 4.170 0.000 0.000 0.302 373 I C -0.551 175.640 176.117 0.125 0.000 1.246 373 I CA -1.262 59.987 61.300 -0.085 0.000 1.010 373 I CB 1.626 39.457 38.000 -0.282 0.000 1.259 373 I HN -0.185 nan 8.210 nan 0.000 0.434 374 F N 1.718 121.692 119.950 0.040 0.000 2.720 374 F HA 0.074 4.601 4.527 -0.000 0.000 0.301 374 F C 2.403 178.298 175.800 0.158 0.000 1.103 374 F CA 0.973 59.071 58.000 0.163 0.000 1.291 374 F CB 0.560 39.643 39.000 0.139 0.000 1.086 374 F HN 0.685 nan 8.300 nan 0.000 0.592 375 S N -0.395 115.403 115.700 0.163 0.000 2.419 375 S HA -0.234 4.236 4.470 0.000 0.000 0.235 375 S C 2.230 176.815 174.600 -0.025 0.000 1.019 375 S CA 1.397 59.651 58.200 0.089 0.000 0.982 375 S CB -1.201 62.031 63.200 0.053 0.000 0.789 375 S HN 0.462 nan 8.310 nan 0.000 0.490 376 S N 0.995 116.611 115.700 -0.141 0.000 2.419 376 S HA -0.068 4.402 4.470 0.000 0.000 0.235 376 S C 1.475 175.869 174.600 -0.344 0.000 1.019 376 S CA 0.926 58.975 58.200 -0.251 0.000 0.982 376 S CB -1.120 61.879 63.200 -0.336 0.000 0.789 376 S HN 0.563 nan 8.310 nan 0.000 0.490 377 F N 1.750 121.500 119.950 -0.334 0.000 2.186 377 F HA 0.027 4.554 4.527 0.000 0.000 0.299 377 F C 3.125 178.836 175.800 -0.149 0.000 1.090 377 F CA 1.130 58.855 58.000 -0.458 0.000 1.307 377 F CB -0.515 37.982 39.000 -0.837 0.000 1.019 377 F HN 0.338 nan 8.300 nan 0.000 0.489 378 S N 0.122 115.889 115.700 0.111 0.000 2.371 378 S HA -0.069 4.401 4.470 0.000 0.000 0.224 378 S C 1.950 176.602 174.600 0.086 0.000 1.029 378 S CA 0.907 59.189 58.200 0.136 0.000 0.978 378 S CB -0.331 62.951 63.200 0.136 0.000 0.833 378 S HN 0.305 nan 8.310 nan 0.000 0.466 379 L N 0.997 122.236 121.223 0.026 0.000 2.313 379 L HA 0.230 4.570 4.340 0.000 0.000 0.214 379 L C 1.618 178.465 176.870 -0.037 0.000 1.119 379 L CA 0.203 55.040 54.840 -0.005 0.000 0.809 379 L CB -0.618 41.424 42.059 -0.028 0.000 0.933 379 L HN 0.334 nan 8.230 nan 0.000 0.449 380 G N 0.028 108.800 108.800 -0.047 0.000 2.563 380 G HA2 0.170 4.130 3.960 0.000 0.000 0.283 380 G HA3 0.170 4.130 3.960 0.000 0.000 0.283 380 G C 0.345 175.142 174.900 -0.171 0.000 1.309 380 G CA 0.173 45.169 45.100 -0.174 0.000 1.022 380 G HN 0.378 nan 8.290 nan 0.000 0.501 381 N N -2.907 115.455 118.700 -0.564 0.000 1.899 381 N HA 0.063 4.803 4.740 0.000 0.000 0.223 381 N C -0.056 174.741 175.510 -1.189 0.000 1.411 381 N CA 0.392 53.092 53.050 -0.583 0.000 0.737 381 N CB -0.564 37.808 38.487 -0.192 0.000 1.100 381 N HN 0.944 nan 8.380 nan 0.000 0.527 382 C N -1.973 116.340 119.300 -1.645 0.000 3.295 382 C HA 0.791 5.251 4.460 0.000 0.000 0.341 382 C C -1.450 172.915 174.990 -1.042 0.000 1.418 382 C CA -1.493 56.734 59.018 -1.317 0.000 1.240 382 C CB 0.142 27.603 27.740 -0.464 0.000 1.562 382 C HN 0.025 nan 8.230 nan 0.000 0.457 383 F N 1.281 121.080 119.950 -0.253 0.000 2.420 383 F HA 0.671 5.198 4.527 -0.000 0.000 0.342 383 F C 0.523 176.296 175.800 -0.044 0.000 1.113 383 F CA -0.660 57.330 58.000 -0.017 0.000 1.059 383 F CB 1.298 40.444 39.000 0.242 0.000 1.128 383 F HN 0.398 nan 8.300 nan 0.000 0.475 384 I N 4.540 125.181 120.570 0.117 0.000 2.291 384 I HA 0.181 4.351 4.170 0.000 0.000 0.290 384 I C -0.687 175.424 176.117 -0.010 0.000 1.050 384 I CA -0.610 60.706 61.300 0.027 0.000 1.245 384 I CB 0.849 38.836 38.000 -0.021 0.000 1.405 384 I HN 0.221 nan 8.210 nan 0.000 0.478 385 V N 8.070 127.937 119.914 -0.079 0.000 2.338 385 V HA 0.194 4.314 4.120 0.000 0.000 0.255 385 V C 0.412 176.354 176.094 -0.253 0.000 1.082 385 V CA -0.245 61.863 62.300 -0.320 0.000 0.951 385 V CB 0.287 31.887 31.823 -0.372 0.000 1.102 385 V HN 0.506 nan 8.190 nan 0.000 0.489 386 L N 4.329 125.415 121.223 -0.228 0.000 2.319 386 L HA 0.345 4.685 4.340 0.000 0.000 0.280 386 L C 0.649 177.424 176.870 -0.158 0.000 1.099 386 L CA -0.444 54.309 54.840 -0.146 0.000 0.828 386 L CB 0.917 42.918 42.059 -0.097 0.000 1.150 386 L HN 0.554 nan 8.230 nan 0.000 0.442 387 E N 2.064 122.195 120.200 -0.115 0.000 2.442 387 E HA -0.057 4.293 4.350 0.000 0.000 0.262 387 E C 0.929 177.479 176.600 -0.084 0.000 1.004 387 E CA 0.122 56.462 56.400 -0.100 0.000 0.928 387 E CB 0.614 30.273 29.700 -0.067 0.000 0.937 387 E HN 0.366 nan 8.360 nan 0.000 0.446 388 R N 2.572 123.024 120.500 -0.080 0.000 2.094 388 R HA -0.229 4.111 4.340 0.000 0.000 0.239 388 R C 0.641 176.914 176.300 -0.045 0.000 1.137 388 R CA 1.987 58.051 56.100 -0.061 0.000 0.943 388 R CB 0.049 30.318 30.300 -0.051 0.000 0.850 388 R HN 0.564 nan 8.270 nan 0.000 0.433 389 D N -0.024 120.352 120.400 -0.040 0.000 2.347 389 D HA -0.052 4.588 4.640 0.000 0.000 0.215 389 D C 0.446 176.728 176.300 -0.031 0.000 0.976 389 D CA 0.364 54.345 54.000 -0.031 0.000 0.884 389 D CB -0.080 40.703 40.800 -0.027 0.000 0.915 389 D HN 0.159 nan 8.370 nan 0.000 0.526 390 R N 0.254 120.733 120.500 -0.036 0.000 2.643 390 R HA 0.314 4.654 4.340 0.000 0.000 0.270 390 R C 0.877 177.157 176.300 -0.032 0.000 1.061 390 R CA 0.043 56.124 56.100 -0.032 0.000 1.107 390 R CB 0.704 30.983 30.300 -0.035 0.000 0.999 390 R HN 0.014 nan 8.270 nan 0.000 0.460 391 G N 1.631 110.414 108.800 -0.028 0.000 2.849 391 G HA2 0.101 4.061 3.960 0.000 0.000 0.174 391 G HA3 0.101 4.061 3.960 0.000 0.000 0.174 391 G C -0.560 174.321 174.900 -0.032 0.000 1.370 391 G CA -0.609 44.474 45.100 -0.029 0.000 1.040 391 G HN 0.597 nan 8.290 nan 0.000 0.582 392 N N -0.757 117.924 118.700 -0.032 0.000 2.381 392 N HA 0.260 5.000 4.740 0.000 0.000 0.241 392 N C -0.468 175.022 175.510 -0.034 0.000 1.279 392 N CA 0.137 53.166 53.050 -0.036 0.000 0.896 392 N CB 1.491 39.957 38.487 -0.036 0.000 1.118 392 N HN 0.106 nan 8.380 nan 0.000 0.438 393 V N 1.099 120.989 119.914 -0.039 0.000 2.588 393 V HA 0.272 4.392 4.120 0.000 0.000 0.304 393 V C -0.025 176.041 176.094 -0.047 0.000 1.042 393 V CA -0.863 61.413 62.300 -0.039 0.000 0.877 393 V CB 1.955 33.754 31.823 -0.040 0.000 0.996 393 V HN 0.486 nan 8.190 nan 0.000 0.425 394 E N 2.089 122.259 120.200 -0.050 0.000 2.250 394 E HA 0.467 4.817 4.350 0.000 0.000 0.269 394 E C -0.370 176.186 176.600 -0.073 0.000 1.018 394 E CA -0.867 55.499 56.400 -0.057 0.000 0.873 394 E CB 2.126 31.794 29.700 -0.052 0.000 1.134 394 E HN 0.371 nan 8.360 nan 0.000 0.403 395 V N 1.433 121.303 119.914 -0.074 0.000 2.681 395 V HA 0.135 4.255 4.120 0.000 0.000 0.306 395 V C 1.530 177.554 176.094 -0.116 0.000 1.077 395 V CA 2.062 64.308 62.300 -0.090 0.000 1.224 395 V CB -0.106 31.671 31.823 -0.077 0.000 0.879 395 V HN 1.032 nan 8.190 nan 0.000 0.494 396 G N 3.317 112.022 108.800 -0.159 0.000 2.213 396 G HA2 -0.176 3.784 3.960 0.000 0.000 0.226 396 G HA3 -0.176 3.784 3.960 0.000 0.000 0.226 396 G C 0.055 174.766 174.900 -0.315 0.000 0.992 396 G CA 0.100 45.064 45.100 -0.227 0.000 0.632 396 G HN 0.666 nan 8.290 nan 0.000 0.511 397 E N -0.551 119.514 120.200 -0.225 0.000 2.349 397 E HA 0.409 4.759 4.350 0.000 0.000 0.262 397 E C -0.092 176.387 176.600 -0.202 0.000 1.088 397 E CA -0.759 55.524 56.400 -0.196 0.000 0.899 397 E CB 0.690 30.349 29.700 -0.068 0.000 1.044 397 E HN 0.387 nan 8.360 nan 0.000 0.420 398 W N 1.037 122.319 121.300 -0.030 0.000 2.184 398 W HA 0.374 5.034 4.660 -0.000 0.000 0.338 398 W C -0.158 176.338 176.519 -0.037 0.000 1.257 398 W CA -0.212 57.114 57.345 -0.031 0.000 1.243 398 W CB 0.769 30.212 29.460 -0.028 0.000 1.122 398 W HN 0.118 nan 8.180 nan 0.000 0.585 399 V N 2.121 122.191 119.914 0.259 0.000 3.023 399 V HA 0.147 4.267 4.120 0.000 0.000 0.294 399 V C -0.798 175.350 176.094 0.090 0.000 1.324 399 V CA -1.074 61.291 62.300 0.109 0.000 0.979 399 V CB 2.111 33.962 31.823 0.047 0.000 1.093 399 V HN 0.438 nan 8.190 nan 0.000 0.434 400 E N 2.596 122.816 120.200 0.032 0.000 2.266 400 E HA 0.635 4.985 4.350 0.000 0.000 0.277 400 E C -1.234 175.377 176.600 0.018 0.000 1.018 400 E CA -0.297 56.114 56.400 0.019 0.000 0.840 400 E CB 2.396 32.087 29.700 -0.015 0.000 1.082 400 E HN 0.372 nan 8.360 nan 0.000 0.395 401 V N 2.091 122.027 119.914 0.037 0.000 2.789 401 V HA 0.218 4.338 4.120 0.000 0.000 0.311 401 V C -0.549 175.597 176.094 0.087 0.000 1.073 401 V CA -0.620 61.708 62.300 0.048 0.000 0.921 401 V CB 2.175 34.011 31.823 0.022 0.000 1.009 401 V HN 0.654 nan 8.190 nan 0.000 0.426 402 E N 5.705 125.997 120.200 0.153 0.000 2.402 402 E HA 0.424 4.774 4.350 0.000 0.000 0.244 402 E C -2.763 173.990 176.600 0.256 0.000 0.945 402 E CA -1.978 54.564 56.400 0.236 0.000 0.774 402 E CB 2.053 31.959 29.700 0.342 0.000 1.296 402 E HN 0.383 nan 8.360 nan 0.000 0.414 403 P HA -0.075 nan 4.420 nan 0.000 0.263 403 P C -0.603 176.889 177.300 0.320 0.000 1.175 403 P CA 0.238 63.403 63.100 0.109 0.000 0.761 403 P CB 0.135 31.901 31.700 0.110 0.000 0.794 404 F N 2.770 122.803 119.950 0.140 0.000 2.553 404 F HA 0.045 4.572 4.527 -0.000 0.000 0.356 404 F C 1.574 177.566 175.800 0.321 0.000 1.142 404 F CA -0.274 57.877 58.000 0.250 0.000 1.322 404 F CB -0.377 38.713 39.000 0.149 0.000 1.126 404 F HN 0.379 nan 8.300 nan 0.000 0.599 405 N N 1.314 120.398 118.700 0.639 0.000 2.531 405 N HA 0.406 5.146 4.740 0.000 0.000 0.301 405 N C 0.644 176.332 175.510 0.297 0.000 1.310 405 N CA 0.015 53.297 53.050 0.387 0.000 0.949 405 N CB -0.354 38.315 38.487 0.303 0.000 1.111 405 N HN 0.411 nan 8.380 nan 0.000 0.565 406 A N -0.738 122.187 122.820 0.174 0.000 2.121 406 A HA 0.039 4.359 4.320 0.000 0.000 0.218 406 A C 2.103 179.710 177.584 0.038 0.000 1.154 406 A CA 0.688 52.790 52.037 0.108 0.000 0.679 406 A CB -1.102 17.942 19.000 0.073 0.000 0.795 406 A HN 0.588 nan 8.150 nan 0.000 0.458 407 L N -2.353 118.856 121.223 -0.024 0.000 2.191 407 L HA -0.125 4.215 4.340 0.000 0.000 0.212 407 L C 1.397 177.999 176.870 -0.448 0.000 1.103 407 L CA 1.206 55.888 54.840 -0.264 0.000 0.769 407 L CB -0.380 41.425 42.059 -0.423 0.000 0.908 407 L HN 0.490 nan 8.230 nan 0.000 0.438 408 F N -0.898 119.089 119.950 0.062 0.000 2.688 408 F HA 0.443 4.970 4.527 0.000 0.000 0.310 408 F C 1.125 176.983 175.800 0.096 0.000 1.098 408 F CA 0.119 58.119 58.000 -0.000 0.000 1.228 408 F CB 0.846 39.689 39.000 -0.261 0.000 1.042 408 F HN 0.060 nan 8.300 nan 0.000 0.557 409 G N 0.000 108.938 108.800 0.230 0.000 5.446 409 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 409 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 409 G CA 0.000 45.209 45.100 0.181 0.000 0.502 409 G HN 0.000 nan 8.290 nan 0.000 0.925