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 1ukc_1_A DATA FIRST_RESID 22 DATA SEQUENCE SHNAQPVINL GYARYQGVRL EAGVDEFLGM RYASPPIGDL RFRAPQDPPA DATA SEQUENCE NQTLQSATEY GPIcIGLDEE ESPGDISEDc LFINVFKPST ATSQSKLPVW DATA SEQUENCE LFIQGGGYAE NSNANYNGTQ VIQASDDVIV FVTFNYRVGA LGFLASEKVR DATA SEQUENCE QNGDLNAGLL DQRKALRWVK QYIEQFGGDP DHIVIHGVSA GAGSVAYHLS DATA SEQUENCE AYGGKDEGLF IGAIVESSFW PTQRTVSEME FQFERFVNDT GcSSARDSLE DATA SEQUENCE cLREQDIATI QKGNTGSPFP GGSSSPLPDW YFLPVTDGSL VPDELYNAFD DATA SEQUENCE AGNFIKVPVL VGDDTDEGSN FAYNASSSAD VSRFFKNNYP NLTSQQLNEI DATA SEQUENCE NQVYPRGKLL PRHAAYFGAS SAAYGDATFT cPGNHVASSA ARYLPNSVWN DATA SEQUENCE YRVNIIDESN IAGGIGVPHT FELPAIFGAG STGTLSSDSS YLTYNAAIIP DATA SEQUENCE VTMHYFISFV QTLNPNTYRY ATAPEWNTWG NGQRLRLQTN DTAMEAVPES DATA SEQUENCE SLQDcAFWKS LTVPMEV 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 22 S HA 0.000 nan 4.470 nan 0.000 0.327 22 S C 0.000 174.609 174.600 0.015 0.000 1.055 22 S CA 0.000 58.204 58.200 0.007 0.000 1.107 22 S CB 0.000 63.209 63.200 0.014 0.000 0.593 23 H N 2.931 122.009 119.070 0.013 0.000 2.546 23 H HA 0.077 4.634 4.556 0.003 0.000 0.277 23 H C 1.303 176.647 175.328 0.026 0.000 1.004 23 H CA 1.300 57.363 56.048 0.024 0.000 1.231 23 H CB -0.527 29.249 29.762 0.023 0.000 1.382 23 H HN 0.604 nan 8.280 nan 0.000 0.580 24 N N 1.216 119.669 118.700 -0.411 0.000 2.571 24 N HA 0.037 4.779 4.740 0.003 0.000 0.189 24 N C 1.205 176.662 175.510 -0.089 0.000 1.154 24 N CA 0.976 53.885 53.050 -0.236 0.000 0.907 24 N CB 0.050 38.388 38.487 -0.249 0.000 0.977 24 N HN 0.471 nan 8.380 nan 0.000 0.449 25 A N -0.913 121.875 122.820 -0.053 0.000 1.817 25 A HA 0.205 4.527 4.320 0.003 0.000 0.204 25 A C 0.086 177.666 177.584 -0.007 0.000 1.741 25 A CA -0.117 51.906 52.037 -0.024 0.000 1.196 25 A CB 0.411 19.394 19.000 -0.029 0.000 1.211 25 A HN 0.151 nan 8.150 nan 0.000 0.450 26 Q N 1.856 121.660 119.800 0.007 0.000 2.425 26 Q HA 0.353 4.695 4.340 0.003 0.000 0.254 26 Q C -2.842 173.192 176.000 0.056 0.000 1.032 26 Q CA -2.280 53.527 55.803 0.007 0.000 0.798 26 Q CB 1.703 30.443 28.738 0.002 0.000 1.210 26 Q HN 0.362 nan 8.270 nan 0.000 0.491 27 P HA 0.145 nan 4.420 nan 0.000 0.271 27 P C -0.397 177.079 177.300 0.293 0.000 1.216 27 P CA -0.165 63.054 63.100 0.197 0.000 0.771 27 P CB 1.123 32.977 31.700 0.256 0.000 0.864 28 V N 4.783 124.867 119.914 0.283 0.000 2.604 28 V HA 0.419 4.540 4.120 0.003 0.000 0.305 28 V C 0.188 176.336 176.094 0.091 0.000 1.043 28 V CA -0.659 61.774 62.300 0.221 0.000 0.888 28 V CB 2.060 33.938 31.823 0.092 0.000 0.995 28 V HN 0.400 nan 8.190 nan 0.000 0.429 29 I N 3.513 124.078 120.570 -0.008 0.000 2.465 29 I HA 0.406 4.577 4.170 0.003 0.000 0.291 29 I C -0.190 175.791 176.117 -0.227 0.000 1.014 29 I CA -0.409 60.705 61.300 -0.310 0.000 1.093 29 I CB 1.808 39.287 38.000 -0.867 0.000 1.267 29 I HN 0.724 nan 8.210 nan 0.000 0.431 30 N N 6.242 124.794 118.700 -0.246 0.000 2.469 30 N HA 0.409 5.151 4.740 0.003 0.000 0.253 30 N C 0.053 175.441 175.510 -0.203 0.000 0.970 30 N CA -0.446 52.480 53.050 -0.206 0.000 0.940 30 N CB 1.102 39.490 38.487 -0.164 0.000 1.128 30 N HN 0.562 nan 8.380 nan 0.000 0.503 31 L N 3.260 124.341 121.223 -0.237 0.000 2.667 31 L HA 0.329 4.671 4.340 0.003 0.000 0.232 31 L C 1.627 178.464 176.870 -0.056 0.000 1.138 31 L CA 0.206 54.933 54.840 -0.188 0.000 0.921 31 L CB -0.220 41.592 42.059 -0.411 0.000 1.180 31 L HN 0.950 nan 8.230 nan 0.000 0.487 32 G N 1.411 110.158 108.800 -0.089 0.000 3.909 32 G HA2 -0.489 3.472 3.960 0.003 0.000 0.218 32 G HA3 -0.489 3.472 3.960 0.003 0.000 0.218 32 G C 0.853 175.760 174.900 0.012 0.000 1.404 32 G CA 0.808 45.912 45.100 0.006 0.000 0.905 32 G HN 0.448 nan 8.290 nan 0.000 0.589 33 Y N 1.017 121.311 120.300 -0.010 0.000 2.293 33 Y HA 0.552 5.103 4.550 0.003 0.000 0.291 33 Y C 1.147 177.006 175.900 -0.068 0.000 1.137 33 Y CA 1.377 59.470 58.100 -0.011 0.000 1.202 33 Y CB -0.339 38.145 38.460 0.039 0.000 0.990 33 Y HN 1.333 nan 8.280 nan 0.000 0.537 34 A N 0.229 122.551 122.820 -0.829 0.000 2.606 34 A HA 0.798 5.120 4.320 0.003 0.000 0.293 34 A C -1.209 175.950 177.584 -0.708 0.000 1.082 34 A CA -1.312 50.251 52.037 -0.791 0.000 0.685 34 A CB 1.260 19.611 19.000 -1.081 0.000 1.284 34 A HN 0.299 nan 8.150 nan 0.000 0.408 35 R N 0.031 120.178 120.500 -0.588 0.000 2.562 35 R HA 0.604 4.946 4.340 0.003 0.000 0.298 35 R C -1.872 174.160 176.300 -0.448 0.000 0.961 35 R CA -0.265 55.589 56.100 -0.410 0.000 0.881 35 R CB 1.677 31.842 30.300 -0.225 0.000 1.159 35 R HN 0.679 nan 8.270 nan 0.000 0.450 36 Y N 0.813 121.105 120.300 -0.014 0.000 2.393 36 Y HA 0.268 4.819 4.550 0.003 0.000 0.341 36 Y C 0.043 176.064 175.900 0.202 0.000 0.988 36 Y CA -0.738 57.430 58.100 0.115 0.000 1.078 36 Y CB 2.188 40.787 38.460 0.231 0.000 1.203 36 Y HN 0.367 nan 8.280 nan 0.000 0.453 37 Q N 2.266 122.243 119.800 0.295 0.000 2.314 37 Q HA 0.554 4.895 4.340 0.003 0.000 0.259 37 Q C -0.117 175.930 176.000 0.079 0.000 0.951 37 Q CA -0.454 55.465 55.803 0.193 0.000 0.909 37 Q CB 1.114 29.903 28.738 0.085 0.000 1.236 37 Q HN 0.974 nan 8.270 nan 0.000 0.444 38 G N 1.726 110.438 108.800 -0.146 0.000 2.736 38 G HA2 0.577 4.538 3.960 0.003 0.000 0.229 38 G HA3 0.577 4.538 3.960 0.003 0.000 0.229 38 G C -1.043 173.593 174.900 -0.440 0.000 1.380 38 G CA -0.448 44.260 45.100 -0.654 0.000 1.040 38 G HN 0.496 nan 8.290 nan 0.000 0.568 39 V N -0.119 119.496 119.914 -0.499 0.000 2.540 39 V HA 0.544 4.666 4.120 0.003 0.000 0.302 39 V C -0.077 175.880 176.094 -0.228 0.000 1.035 39 V CA -0.792 61.341 62.300 -0.279 0.000 0.873 39 V CB 1.607 33.289 31.823 -0.235 0.000 0.992 39 V HN 0.753 nan 8.190 nan 0.000 0.428 40 R N 4.200 124.625 120.500 -0.126 0.000 2.265 40 R HA 0.692 5.034 4.340 0.003 0.000 0.319 40 R C -1.214 175.063 176.300 -0.038 0.000 1.006 40 R CA -0.439 55.624 56.100 -0.062 0.000 0.880 40 R CB 0.806 31.088 30.300 -0.031 0.000 1.077 40 R HN 0.727 nan 8.270 nan 0.000 0.454 41 L N 3.378 124.594 121.223 -0.011 0.000 2.343 41 L HA 0.273 4.614 4.340 0.003 0.000 0.275 41 L C 1.523 178.398 176.870 0.009 0.000 1.056 41 L CA -0.497 54.344 54.840 0.002 0.000 0.804 41 L CB 1.672 43.746 42.059 0.025 0.000 1.203 41 L HN 0.802 nan 8.230 nan 0.000 0.440 42 E N 1.752 121.955 120.200 0.004 0.000 2.209 42 E HA -0.239 4.112 4.350 0.003 0.000 0.196 42 E C 1.776 178.383 176.600 0.011 0.000 0.993 42 E CA 1.359 57.762 56.400 0.005 0.000 0.819 42 E CB 0.225 29.926 29.700 0.001 0.000 0.745 42 E HN 0.838 nan 8.360 nan 0.000 0.477 43 A N 0.294 123.123 122.820 0.015 0.000 2.186 43 A HA -0.050 4.272 4.320 0.003 0.000 0.219 43 A C 1.754 179.356 177.584 0.030 0.000 1.159 43 A CA 1.366 53.415 52.037 0.019 0.000 0.680 43 A CB -0.798 18.214 19.000 0.021 0.000 0.787 43 A HN 0.505 nan 8.150 nan 0.000 0.467 44 G N -2.373 106.448 108.800 0.036 0.000 2.137 44 G HA2 -0.128 3.833 3.960 0.003 0.000 0.237 44 G HA3 -0.128 3.833 3.960 0.003 0.000 0.237 44 G C -0.029 174.915 174.900 0.073 0.000 1.002 44 G CA 0.160 45.288 45.100 0.046 0.000 0.702 44 G HN 0.956 nan 8.290 nan 0.000 0.515 45 V N 0.450 120.415 119.914 0.085 0.000 2.604 45 V HA 0.602 4.724 4.120 0.003 0.000 0.305 45 V C -0.660 175.504 176.094 0.117 0.000 1.043 45 V CA -0.965 61.416 62.300 0.135 0.000 0.888 45 V CB 2.016 33.941 31.823 0.171 0.000 0.995 45 V HN 0.224 nan 8.190 nan 0.000 0.429 46 D N 2.940 123.429 120.400 0.148 0.000 2.168 46 D HA 0.518 5.160 4.640 0.003 0.000 0.246 46 D C -0.349 175.955 176.300 0.006 0.000 1.050 46 D CA -0.350 53.684 54.000 0.057 0.000 0.857 46 D CB 1.775 42.673 40.800 0.163 0.000 1.169 46 D HN 0.598 nan 8.370 nan 0.000 0.453 47 E N 0.987 121.011 120.200 -0.294 0.000 2.183 47 E HA 0.487 4.839 4.350 0.003 0.000 0.271 47 E C -0.788 175.390 176.600 -0.703 0.000 0.919 47 E CA -0.750 55.357 56.400 -0.488 0.000 0.781 47 E CB 1.720 31.097 29.700 -0.539 0.000 1.140 47 E HN 0.231 nan 8.360 nan 0.000 0.402 48 F N 2.682 122.454 119.950 -0.296 0.000 2.513 48 F HA 0.350 4.879 4.527 0.003 0.000 0.358 48 F C -0.529 175.089 175.800 -0.303 0.000 1.118 48 F CA -0.707 57.192 58.000 -0.169 0.000 1.037 48 F CB 0.775 39.828 39.000 0.087 0.000 1.276 48 F HN 0.144 nan 8.300 nan 0.000 0.446 49 L N 2.133 123.211 121.223 -0.243 0.000 2.334 49 L HA 0.757 5.098 4.340 0.003 0.000 0.276 49 L C 0.832 177.584 176.870 -0.197 0.000 1.014 49 L CA -1.112 53.532 54.840 -0.327 0.000 0.815 49 L CB 1.823 43.470 42.059 -0.687 0.000 1.268 49 L HN 0.809 nan 8.230 nan 0.000 0.428 50 G N 2.326 111.061 108.800 -0.108 0.000 2.225 50 G HA2 -0.251 3.710 3.960 0.003 0.000 0.264 50 G HA3 -0.251 3.710 3.960 0.003 0.000 0.264 50 G C -0.069 174.883 174.900 0.086 0.000 1.060 50 G CA -0.129 44.896 45.100 -0.125 0.000 0.833 50 G HN 0.470 nan 8.290 nan 0.000 0.498 51 M N -0.448 119.141 119.600 -0.019 0.000 2.255 51 M HA 0.410 4.891 4.480 0.003 0.000 0.336 51 M C 1.070 177.447 176.300 0.128 0.000 1.135 51 M CA -0.102 55.088 55.300 -0.183 0.000 1.145 51 M CB 0.842 33.038 32.600 -0.673 0.000 1.473 51 M HN 0.156 nan 8.290 nan 0.000 0.462 52 R N 1.519 122.158 120.500 0.233 0.000 2.265 52 R HA 0.189 4.531 4.340 0.003 0.000 0.319 52 R C -0.251 176.058 176.300 0.016 0.000 1.006 52 R CA -0.266 55.868 56.100 0.055 0.000 0.880 52 R CB 0.590 30.950 30.300 0.099 0.000 1.077 52 R HN 0.725 nan 8.270 nan 0.000 0.454 53 Y N -0.047 120.078 120.300 -0.293 0.000 2.467 53 Y HA 0.593 5.145 4.550 0.002 0.000 0.250 53 Y C -0.065 175.775 175.900 -0.099 0.000 1.155 53 Y CA -0.548 57.336 58.100 -0.360 0.000 1.249 53 Y CB 0.753 38.770 38.460 -0.739 0.000 1.146 53 Y HN 0.490 nan 8.280 nan 0.000 0.524 54 A N -0.221 122.322 122.820 -0.461 0.000 2.610 54 A HA 0.658 4.979 4.320 0.003 0.000 0.291 54 A C -0.757 176.650 177.584 -0.295 0.000 1.086 54 A CA -0.769 51.056 52.037 -0.353 0.000 0.677 54 A CB 0.609 19.309 19.000 -0.500 0.000 1.278 54 A HN 0.099 nan 8.150 nan 0.000 0.414 55 S N 1.432 117.018 115.700 -0.190 0.000 2.585 55 S HA 0.455 4.926 4.470 0.003 0.000 0.273 55 S C -2.421 172.059 174.600 -0.201 0.000 1.339 55 S CA -0.397 57.712 58.200 -0.152 0.000 1.028 55 S CB 0.165 63.310 63.200 -0.093 0.000 0.906 55 S HN 0.494 nan 8.310 nan 0.000 0.528 56 P HA 0.108 nan 4.420 nan 0.000 0.261 56 P C -2.311 174.900 177.300 -0.149 0.000 1.183 56 P CA -0.890 62.103 63.100 -0.178 0.000 0.761 56 P CB -0.111 31.520 31.700 -0.115 0.000 0.785 57 P HA 0.120 nan 4.420 nan 0.000 0.218 57 P C -0.342 176.864 177.300 -0.158 0.000 1.793 57 P CA 0.109 63.115 63.100 -0.157 0.000 0.941 57 P CB -0.492 31.105 31.700 -0.173 0.000 1.919 58 I N -4.030 116.467 120.570 -0.121 0.000 2.910 58 I HA 0.820 4.991 4.170 0.003 0.000 0.310 58 I C 0.854 176.925 176.117 -0.078 0.000 1.043 58 I CA -0.611 60.626 61.300 -0.104 0.000 1.053 58 I CB 1.714 39.670 38.000 -0.073 0.000 1.242 58 I HN 0.262 nan 8.210 nan 0.000 0.452 59 G N 3.114 111.878 108.800 -0.061 0.000 2.591 59 G HA2 -0.420 3.541 3.960 0.003 0.000 0.298 59 G HA3 -0.420 3.541 3.960 0.003 0.000 0.298 59 G C 0.448 175.335 174.900 -0.022 0.000 1.195 59 G CA 1.082 46.164 45.100 -0.030 0.000 0.989 59 G HN 1.030 nan 8.290 nan 0.000 0.551 60 D N 0.480 120.876 120.400 -0.008 0.000 2.310 60 D HA 0.082 4.724 4.640 0.003 0.000 0.212 60 D C 2.436 178.734 176.300 -0.002 0.000 0.965 60 D CA 1.267 55.273 54.000 0.010 0.000 0.879 60 D CB -0.159 40.648 40.800 0.012 0.000 0.921 60 D HN 0.386 nan 8.370 nan 0.000 0.510 61 L N -0.392 120.808 121.223 -0.039 0.000 2.592 61 L HA 0.177 4.519 4.340 0.003 0.000 0.227 61 L C 1.243 178.048 176.870 -0.108 0.000 1.127 61 L CA -0.272 54.533 54.840 -0.058 0.000 0.884 61 L CB -0.170 41.848 42.059 -0.069 0.000 1.065 61 L HN -0.082 nan 8.230 nan 0.000 0.457 62 R N 0.789 121.193 120.500 -0.161 0.000 2.537 62 R HA -0.013 4.329 4.340 0.003 0.000 0.280 62 R C 0.024 176.140 176.300 -0.307 0.000 1.058 62 R CA 0.006 55.868 56.100 -0.396 0.000 1.057 62 R CB 0.208 30.203 30.300 -0.507 0.000 0.973 62 R HN 0.097 nan 8.270 nan 0.000 0.438 63 F N -0.189 119.737 119.950 -0.041 0.000 3.034 63 F HA -0.313 4.215 4.527 0.003 0.000 0.286 63 F C 0.238 176.007 175.800 -0.052 0.000 0.804 63 F CA 0.895 58.865 58.000 -0.051 0.000 1.161 63 F CB -1.544 37.453 39.000 -0.004 0.000 1.317 63 F HN 0.596 nan 8.300 nan 0.000 0.453 64 R N -0.013 120.510 120.500 0.039 0.000 2.832 64 R HA 0.839 5.180 4.340 0.003 0.000 0.271 64 R C 0.379 176.666 176.300 -0.023 0.000 0.996 64 R CA -0.546 55.563 56.100 0.015 0.000 0.977 64 R CB 1.551 31.855 30.300 0.005 0.000 1.168 64 R HN 0.143 nan 8.270 nan 0.000 0.482 65 A N 3.156 125.967 122.820 -0.015 0.000 2.547 65 A HA 0.139 4.461 4.320 0.003 0.000 0.233 65 A C -1.935 175.636 177.584 -0.022 0.000 1.067 65 A CA -0.625 51.404 52.037 -0.013 0.000 0.763 65 A CB -0.516 18.487 19.000 0.005 0.000 1.007 65 A HN 0.414 nan 8.150 nan 0.000 0.506 66 P HA 0.137 nan 4.420 nan 0.000 0.271 66 P C -0.767 176.518 177.300 -0.026 0.000 1.216 66 P CA 0.214 63.291 63.100 -0.039 0.000 0.776 66 P CB 0.624 32.317 31.700 -0.012 0.000 0.881 67 Q N 0.771 120.541 119.800 -0.051 0.000 2.297 67 Q HA 0.272 4.613 4.340 0.003 0.000 0.269 67 Q C -0.320 175.656 176.000 -0.040 0.000 1.051 67 Q CA -1.018 54.765 55.803 -0.033 0.000 0.869 67 Q CB 1.101 29.818 28.738 -0.034 0.000 1.346 67 Q HN 0.433 nan 8.270 nan 0.000 0.457 68 D N 3.033 123.420 120.400 -0.021 0.000 2.515 68 D HA 0.010 4.651 4.640 0.003 0.000 0.232 68 D C -2.095 174.170 176.300 -0.058 0.000 1.157 68 D CA -0.454 53.528 54.000 -0.029 0.000 0.871 68 D CB 0.058 40.842 40.800 -0.026 0.000 1.200 68 D HN 0.204 nan 8.370 nan 0.000 0.466 69 P HA 0.164 nan 4.420 nan 0.000 0.272 69 P C -2.499 174.800 177.300 -0.002 0.000 1.223 69 P CA -1.155 61.913 63.100 -0.054 0.000 0.784 69 P CB -0.223 31.462 31.700 -0.024 0.000 0.923 70 P HA 0.167 nan 4.420 nan 0.000 0.280 70 P C -0.376 177.029 177.300 0.175 0.000 1.244 70 P CA -0.203 62.947 63.100 0.084 0.000 0.784 70 P CB 0.454 32.192 31.700 0.062 0.000 0.913 71 A N 3.484 126.395 122.820 0.152 0.000 2.498 71 A HA 0.236 4.558 4.320 0.003 0.000 0.239 71 A C 0.400 178.043 177.584 0.099 0.000 1.068 71 A CA 0.298 52.441 52.037 0.177 0.000 0.766 71 A CB -0.528 18.546 19.000 0.122 0.000 1.003 71 A HN 0.680 nan 8.150 nan 0.000 0.497 72 N N 1.025 119.756 118.700 0.052 0.000 2.503 72 N HA 0.171 4.912 4.740 0.003 0.000 0.287 72 N C -0.011 175.462 175.510 -0.062 0.000 1.096 72 N CA -0.371 52.676 53.050 -0.005 0.000 0.936 72 N CB 1.730 40.216 38.487 -0.002 0.000 1.570 72 N HN 0.662 nan 8.380 nan 0.000 0.504 73 Q N 0.139 119.911 119.800 -0.045 0.000 2.269 73 Q HA 0.127 4.468 4.340 0.003 0.000 0.201 73 Q C -0.004 175.954 176.000 -0.069 0.000 0.946 73 Q CA 0.722 56.489 55.803 -0.059 0.000 0.877 73 Q CB 0.256 28.973 28.738 -0.035 0.000 0.963 73 Q HN 0.563 nan 8.270 nan 0.000 0.472 74 T N 1.808 116.329 114.554 -0.056 0.000 2.928 74 T HA 0.063 4.414 4.350 0.003 0.000 0.305 74 T C -0.052 174.598 174.700 -0.083 0.000 1.035 74 T CA -0.335 61.733 62.100 -0.052 0.000 1.145 74 T CB 0.408 69.258 68.868 -0.030 0.000 0.963 74 T HN 0.072 nan 8.240 nan 0.000 0.545 75 L N 4.326 125.506 121.223 -0.071 0.000 2.601 75 L HA 0.024 4.366 4.340 0.003 0.000 0.277 75 L C 0.235 177.064 176.870 -0.069 0.000 1.219 75 L CA 0.647 55.440 54.840 -0.079 0.000 0.915 75 L CB 0.193 42.228 42.059 -0.039 0.000 1.160 75 L HN 0.501 nan 8.230 nan 0.000 0.494 76 Q N 3.806 123.537 119.800 -0.115 0.000 2.257 76 Q HA 0.228 4.570 4.340 0.003 0.000 0.255 76 Q C -0.181 175.891 176.000 0.120 0.000 0.920 76 Q CA -0.303 55.487 55.803 -0.022 0.000 0.927 76 Q CB 1.518 30.174 28.738 -0.137 0.000 1.229 76 Q HN 0.741 nan 8.270 nan 0.000 0.433 77 S N 1.190 116.961 115.700 0.118 0.000 2.531 77 S HA 0.362 4.834 4.470 0.003 0.000 0.279 77 S C 0.015 174.714 174.600 0.164 0.000 1.305 77 S CA -0.049 58.215 58.200 0.107 0.000 1.058 77 S CB 0.148 63.374 63.200 0.042 0.000 0.899 77 S HN 0.617 nan 8.310 nan 0.000 0.493 78 A N 3.864 126.764 122.820 0.134 0.000 2.855 78 A HA 0.362 4.683 4.320 0.003 0.000 0.301 78 A C 1.092 178.604 177.584 -0.120 0.000 1.076 78 A CA 0.006 52.073 52.037 0.052 0.000 1.004 78 A CB -0.368 18.740 19.000 0.180 0.000 1.152 78 A HN 0.898 nan 8.150 nan 0.000 0.531 79 T N -3.606 110.874 114.554 -0.124 0.000 3.069 79 T HA 0.335 4.687 4.350 0.003 0.000 0.252 79 T C 0.238 174.809 174.700 -0.216 0.000 1.053 79 T CA 0.142 62.134 62.100 -0.181 0.000 0.964 79 T CB 0.180 68.975 68.868 -0.122 0.000 1.005 79 T HN 0.419 nan 8.240 nan 0.000 0.532 80 E N -0.008 120.060 120.200 -0.221 0.000 2.331 80 E HA 0.395 4.747 4.350 0.003 0.000 0.275 80 E C -1.468 174.976 176.600 -0.260 0.000 0.895 80 E CA -0.987 55.278 56.400 -0.225 0.000 0.753 80 E CB 1.886 31.513 29.700 -0.121 0.000 1.216 80 E HN 0.333 nan 8.360 nan 0.000 0.434 81 Y N 0.530 120.744 120.300 -0.142 0.000 2.597 81 Y HA 0.163 4.714 4.550 0.003 0.000 0.336 81 Y C 1.335 177.032 175.900 -0.340 0.000 1.216 81 Y CA 0.300 58.283 58.100 -0.195 0.000 1.463 81 Y CB 0.604 38.997 38.460 -0.112 0.000 1.303 81 Y HN 0.563 nan 8.280 nan 0.000 0.576 82 G N 3.546 112.066 108.800 -0.468 0.000 2.599 82 G HA2 0.325 4.286 3.960 0.003 0.000 0.264 82 G HA3 0.325 4.286 3.960 0.003 0.000 0.264 82 G C -2.612 172.093 174.900 -0.325 0.000 1.200 82 G CA -1.366 43.175 45.100 -0.933 0.000 0.896 82 G HN 0.376 nan 8.290 nan 0.000 0.536 83 P HA 0.151 nan 4.420 nan 0.000 0.269 83 P C 0.436 177.795 177.300 0.100 0.000 1.215 83 P CA -0.070 63.044 63.100 0.022 0.000 0.780 83 P CB 0.844 32.589 31.700 0.074 0.000 0.898 84 I N -0.845 119.745 120.570 0.034 0.000 3.021 84 I HA 0.324 4.496 4.170 0.003 0.000 0.303 84 I C -0.204 175.924 176.117 0.018 0.000 1.044 84 I CA -0.838 60.470 61.300 0.014 0.000 1.266 84 I CB 0.397 38.361 38.000 -0.060 0.000 1.447 84 I HN 0.151 nan 8.210 nan 0.000 0.593 85 c N 4.458 123.044 118.600 -0.023 0.000 2.629 85 c HA 0.311 4.882 4.570 0.003 0.000 0.410 85 c C 0.802 174.881 174.090 -0.019 0.000 1.339 85 c CA -0.480 55.833 56.329 -0.026 0.000 1.810 85 c CB -0.822 41.650 42.510 -0.062 0.000 2.549 85 c HN 0.649 nan 8.230 nan 0.000 0.589 86 I N 3.798 124.366 120.570 -0.002 0.000 2.683 86 I HA 0.386 4.557 4.170 0.003 0.000 0.286 86 I C 0.860 176.991 176.117 0.024 0.000 1.175 86 I CA 0.817 62.125 61.300 0.013 0.000 1.429 86 I CB 0.295 38.304 38.000 0.016 0.000 1.371 86 I HN 0.817 nan 8.210 nan 0.000 0.569 87 G N 6.412 115.240 108.800 0.047 0.000 3.016 87 G HA2 0.401 4.362 3.960 0.003 0.000 0.270 87 G HA3 0.401 4.362 3.960 0.003 0.000 0.270 87 G C -1.034 173.936 174.900 0.116 0.000 1.352 87 G CA -1.088 44.062 45.100 0.083 0.000 1.060 87 G HN 0.659 nan 8.290 nan 0.000 0.538 88 L N 0.790 122.118 121.223 0.175 0.000 2.640 88 L HA 0.083 4.425 4.340 0.003 0.000 0.280 88 L C 0.450 177.417 176.870 0.163 0.000 1.229 88 L CA 1.010 55.982 54.840 0.219 0.000 0.919 88 L CB 0.001 42.244 42.059 0.308 0.000 1.168 88 L HN 0.712 nan 8.230 nan 0.000 0.496 89 D N 1.690 122.179 120.400 0.149 0.000 3.077 89 D HA -0.216 4.425 4.640 0.003 0.000 0.217 89 D C 0.081 176.430 176.300 0.082 0.000 1.162 89 D CA 1.291 55.355 54.000 0.106 0.000 0.943 89 D CB -0.626 40.228 40.800 0.090 0.000 1.122 89 D HN 0.765 nan 8.370 nan 0.000 0.413 90 E N 0.187 120.436 120.200 0.082 0.000 2.280 90 E HA 0.456 4.808 4.350 0.003 0.000 0.261 90 E C 0.259 176.889 176.600 0.051 0.000 1.088 90 E CA -0.536 55.901 56.400 0.061 0.000 0.915 90 E CB 1.417 31.151 29.700 0.056 0.000 1.141 90 E HN 0.142 nan 8.360 nan 0.000 0.433 91 E N 0.812 121.036 120.200 0.039 0.000 2.222 91 E HA 0.125 4.476 4.350 0.003 0.000 0.267 91 E C -1.036 175.580 176.600 0.027 0.000 0.884 91 E CA -0.485 55.934 56.400 0.033 0.000 0.764 91 E CB 1.320 31.037 29.700 0.028 0.000 1.169 91 E HN 0.304 nan 8.360 nan 0.000 0.413 92 E N 1.495 121.710 120.200 0.025 0.000 2.414 92 E HA 0.066 4.418 4.350 0.003 0.000 0.263 92 E C -1.097 175.514 176.600 0.019 0.000 1.000 92 E CA 0.424 56.837 56.400 0.021 0.000 0.914 92 E CB 1.059 30.770 29.700 0.019 0.000 0.948 92 E HN 0.247 nan 8.360 nan 0.000 0.444 93 S N 4.400 120.111 115.700 0.019 0.000 2.776 93 S HA 0.292 4.764 4.470 0.003 0.000 0.284 93 S C -2.620 171.989 174.600 0.016 0.000 1.160 93 S CA -1.665 56.544 58.200 0.016 0.000 1.051 93 S CB 1.040 64.248 63.200 0.014 0.000 1.037 93 S HN 0.240 nan 8.310 nan 0.000 0.485 94 P HA 0.098 nan 4.420 nan 0.000 0.257 94 P C 1.045 178.352 177.300 0.011 0.000 1.162 94 P CA 1.566 64.676 63.100 0.015 0.000 0.762 94 P CB -0.025 31.683 31.700 0.012 0.000 0.753 95 G N 3.445 112.252 108.800 0.012 0.000 2.267 95 G HA2 -0.266 3.695 3.960 0.003 0.000 0.257 95 G HA3 -0.266 3.695 3.960 0.003 0.000 0.257 95 G C 0.694 175.590 174.900 -0.006 0.000 0.998 95 G CA 0.575 45.673 45.100 -0.003 0.000 0.620 95 G HN 0.462 nan 8.290 nan 0.000 0.529 96 D N -0.292 120.111 120.400 0.005 0.000 2.725 96 D HA 0.352 4.993 4.640 0.003 0.000 0.269 96 D C 1.103 177.407 176.300 0.007 0.000 1.018 96 D CA 0.759 54.760 54.000 0.002 0.000 0.956 96 D CB 0.646 41.448 40.800 0.004 0.000 1.141 96 D HN 0.447 nan 8.370 nan 0.000 0.478 97 I N 0.122 120.702 120.570 0.017 0.000 2.534 97 I HA 0.348 4.520 4.170 0.003 0.000 0.288 97 I C -0.882 175.253 176.117 0.029 0.000 1.077 97 I CA -0.443 60.869 61.300 0.020 0.000 1.051 97 I CB 2.310 40.320 38.000 0.016 0.000 1.234 97 I HN -0.169 nan 8.210 nan 0.000 0.425 98 S N 3.405 119.127 115.700 0.036 0.000 2.565 98 S HA 0.309 4.781 4.470 0.003 0.000 0.269 98 S C 0.359 174.970 174.600 0.019 0.000 1.153 98 S CA -0.538 57.684 58.200 0.037 0.000 0.835 98 S CB 1.931 65.171 63.200 0.066 0.000 1.122 98 S HN 0.726 nan 8.310 nan 0.000 0.462 99 E N 0.642 120.841 120.200 -0.003 0.000 2.110 99 E HA -0.120 4.231 4.350 0.003 0.000 0.193 99 E C -0.253 176.319 176.600 -0.047 0.000 0.988 99 E CA 0.868 57.244 56.400 -0.039 0.000 0.804 99 E CB 0.015 29.680 29.700 -0.058 0.000 0.745 99 E HN 0.550 nan 8.360 nan 0.000 0.458 100 D N 0.025 120.417 120.400 -0.012 0.000 2.470 100 D HA -0.014 4.627 4.640 0.003 0.000 0.226 100 D C 0.098 176.424 176.300 0.043 0.000 1.196 100 D CA -0.169 53.815 54.000 -0.026 0.000 0.979 100 D CB -0.090 40.726 40.800 0.026 0.000 1.059 100 D HN 0.131 nan 8.370 nan 0.000 0.515 101 c N 2.239 120.779 118.600 -0.099 0.000 3.911 101 c HA 0.356 4.927 4.570 0.003 0.000 0.318 101 c C 0.834 174.826 174.090 -0.164 0.000 1.643 101 c CA -0.628 55.729 56.329 0.047 0.000 1.845 101 c CB -1.211 41.336 42.510 0.063 0.000 2.981 101 c HN 0.425 nan 8.230 nan 0.000 0.656 102 L N 2.570 123.470 121.223 -0.539 0.000 2.376 102 L HA 0.381 4.722 4.340 0.003 0.000 0.250 102 L C -0.748 175.683 176.870 -0.731 0.000 1.335 102 L CA 0.653 55.146 54.840 -0.579 0.000 1.214 102 L CB -0.762 40.828 42.059 -0.781 0.000 1.395 102 L HN 0.237 nan 8.230 nan 0.000 0.424 103 F N 1.518 121.522 119.950 0.089 0.000 2.507 103 F HA 0.604 5.132 4.527 0.002 0.000 0.327 103 F C 0.124 176.061 175.800 0.229 0.000 1.068 103 F CA -0.788 57.278 58.000 0.109 0.000 0.965 103 F CB 2.050 41.089 39.000 0.065 0.000 1.192 103 F HN 0.017 nan 8.300 nan 0.000 0.476 104 I N 1.593 122.291 120.570 0.213 0.000 2.730 104 I HA 0.473 4.645 4.170 0.003 0.000 0.298 104 I C -1.663 174.399 176.117 -0.091 0.000 1.089 104 I CA -0.538 60.733 61.300 -0.049 0.000 1.041 104 I CB 1.894 39.542 38.000 -0.585 0.000 1.235 104 I HN 0.710 nan 8.210 nan 0.000 0.423 105 N N 5.419 124.098 118.700 -0.036 0.000 2.249 105 N HA 0.659 5.400 4.740 0.003 0.000 0.296 105 N C -1.729 173.744 175.510 -0.061 0.000 1.051 105 N CA -0.654 52.380 53.050 -0.027 0.000 0.815 105 N CB 2.603 41.196 38.487 0.176 0.000 1.487 105 N HN 0.149 nan 8.380 nan 0.000 0.475 106 V N 1.925 121.751 119.914 -0.147 0.000 2.588 106 V HA 0.525 4.647 4.120 0.003 0.000 0.304 106 V C -1.199 174.868 176.094 -0.044 0.000 1.042 106 V CA -0.672 61.578 62.300 -0.083 0.000 0.877 106 V CB 1.002 32.565 31.823 -0.435 0.000 0.996 106 V HN 0.546 nan 8.190 nan 0.000 0.425 107 F N 3.950 124.029 119.950 0.215 0.000 2.458 107 F HA 0.737 5.266 4.527 0.003 0.000 0.336 107 F C 0.278 176.245 175.800 0.279 0.000 1.114 107 F CA -0.636 57.521 58.000 0.262 0.000 0.987 107 F CB 1.841 41.000 39.000 0.265 0.000 1.130 107 F HN 0.471 nan 8.300 nan 0.000 0.458 108 K N 1.983 122.644 120.400 0.435 0.000 2.508 108 K HA 0.683 5.005 4.320 0.003 0.000 0.260 108 K C -3.386 173.382 176.600 0.279 0.000 0.949 108 K CA -2.456 54.044 56.287 0.356 0.000 0.834 108 K CB 2.091 34.818 32.500 0.377 0.000 1.365 108 K HN 0.102 nan 8.250 nan 0.000 0.437 109 P HA 0.021 nan 4.420 nan 0.000 0.265 109 P C 0.057 177.453 177.300 0.160 0.000 1.193 109 P CA 0.060 63.256 63.100 0.160 0.000 0.765 109 P CB 0.898 32.673 31.700 0.125 0.000 0.823 110 S N 1.753 117.532 115.700 0.132 0.000 2.387 110 S HA -0.165 4.306 4.470 0.003 0.000 0.230 110 S C 1.686 176.349 174.600 0.106 0.000 1.035 110 S CA 2.173 60.445 58.200 0.120 0.000 1.014 110 S CB -1.056 62.193 63.200 0.082 0.000 0.836 110 S HN 0.690 nan 8.310 nan 0.000 0.466 111 T N 0.285 114.890 114.554 0.086 0.000 3.085 111 T HA 0.404 4.756 4.350 0.003 0.000 0.263 111 T C 0.669 175.414 174.700 0.075 0.000 1.127 111 T CA 0.427 62.568 62.100 0.069 0.000 1.103 111 T CB -0.293 68.607 68.868 0.052 0.000 0.921 111 T HN 0.351 nan 8.240 nan 0.000 0.510 112 A N 2.315 125.193 122.820 0.096 0.000 2.462 112 A HA 0.535 4.856 4.320 0.003 0.000 0.243 112 A C 0.889 178.526 177.584 0.087 0.000 1.076 112 A CA -0.114 51.981 52.037 0.096 0.000 0.773 112 A CB 0.038 19.113 19.000 0.125 0.000 1.010 112 A HN 0.633 nan 8.150 nan 0.000 0.493 113 T N -1.701 112.893 114.554 0.066 0.000 2.807 113 T HA 0.486 4.838 4.350 0.003 0.000 0.277 113 T C 1.236 175.957 174.700 0.035 0.000 1.006 113 T CA 0.151 62.278 62.100 0.045 0.000 1.006 113 T CB 0.808 69.698 68.868 0.037 0.000 1.274 113 T HN 1.217 nan 8.240 nan 0.000 0.569 114 S N -0.438 115.267 115.700 0.010 0.000 2.469 114 S HA -0.156 4.315 4.470 0.003 0.000 0.238 114 S C 1.580 176.192 174.600 0.020 0.000 0.998 114 S CA 0.901 59.104 58.200 0.005 0.000 0.957 114 S CB -0.764 62.423 63.200 -0.022 0.000 0.764 114 S HN 0.746 nan 8.310 nan 0.000 0.514 115 Q N 0.710 120.524 119.800 0.024 0.000 2.408 115 Q HA 0.219 4.561 4.340 0.003 0.000 0.205 115 Q C 1.958 177.978 176.000 0.034 0.000 0.919 115 Q CA 0.576 56.394 55.803 0.025 0.000 0.932 115 Q CB -0.002 28.749 28.738 0.021 0.000 1.058 115 Q HN 0.572 nan 8.270 nan 0.000 0.517 116 S N 1.285 117.011 115.700 0.043 0.000 2.382 116 S HA -0.099 4.373 4.470 0.003 0.000 0.228 116 S C 0.422 175.051 174.600 0.048 0.000 1.027 116 S CA 0.655 58.884 58.200 0.048 0.000 0.991 116 S CB 0.016 63.253 63.200 0.063 0.000 0.823 116 S HN 0.264 nan 8.310 nan 0.000 0.469 117 K N 1.022 121.456 120.400 0.057 0.000 3.451 117 K HA -0.162 4.159 4.320 0.003 0.000 0.273 117 K C -0.760 175.868 176.600 0.045 0.000 0.944 117 K CA 0.428 56.750 56.287 0.058 0.000 0.734 117 K CB -2.199 30.330 32.500 0.048 0.000 1.437 117 K HN 0.418 nan 8.250 nan 0.000 0.454 118 L N 0.755 122.016 121.223 0.063 0.000 2.375 118 L HA 0.262 4.603 4.340 0.003 0.000 0.271 118 L C -1.676 175.216 176.870 0.036 0.000 1.107 118 L CA -2.227 52.639 54.840 0.044 0.000 0.806 118 L CB 0.303 42.417 42.059 0.091 0.000 1.146 118 L HN -0.079 nan 8.230 nan 0.000 0.447 119 P HA -0.033 nan 4.420 nan 0.000 0.264 119 P C -0.830 176.584 177.300 0.190 0.000 1.183 119 P CA 0.124 63.190 63.100 -0.058 0.000 0.763 119 P CB 0.508 32.091 31.700 -0.195 0.000 0.807 120 V N 4.499 124.589 119.914 0.293 0.000 2.513 120 V HA 0.352 4.474 4.120 0.003 0.000 0.299 120 V C -0.644 175.734 176.094 0.473 0.000 1.035 120 V CA -0.415 62.099 62.300 0.358 0.000 0.889 120 V CB 1.693 33.694 31.823 0.298 0.000 0.988 120 V HN 0.594 nan 8.190 nan 0.000 0.440 121 W N 7.080 128.589 121.300 0.349 0.000 2.296 121 W HA 0.591 5.253 4.660 0.002 0.000 0.316 121 W C -1.456 175.282 176.519 0.365 0.000 1.022 121 W CA -1.616 55.997 57.345 0.446 0.000 1.324 121 W CB 1.508 31.344 29.460 0.626 0.000 1.227 121 W HN 0.443 nan 8.180 nan 0.000 0.409 122 L N 8.691 130.324 121.223 0.684 0.000 2.276 122 L HA 0.449 4.790 4.340 0.003 0.000 0.286 122 L C -1.519 175.663 176.870 0.519 0.000 1.024 122 L CA -0.691 54.402 54.840 0.421 0.000 0.826 122 L CB 0.430 42.665 42.059 0.293 0.000 1.211 122 L HN 0.219 nan 8.230 nan 0.000 0.422 123 F N 6.406 126.443 119.950 0.146 0.000 2.410 123 F HA 0.614 5.143 4.527 0.003 0.000 0.349 123 F C -0.459 175.343 175.800 0.003 0.000 1.117 123 F CA -0.933 57.127 58.000 0.101 0.000 1.104 123 F CB 0.825 39.752 39.000 -0.121 0.000 1.122 123 F HN 0.364 nan 8.300 nan 0.000 0.483 124 I N 6.974 127.203 120.570 -0.569 0.000 2.354 124 I HA 0.204 4.376 4.170 0.003 0.000 0.286 124 I C -0.297 175.244 176.117 -0.960 0.000 1.007 124 I CA -0.816 60.113 61.300 -0.620 0.000 1.167 124 I CB 1.364 39.267 38.000 -0.162 0.000 1.320 124 I HN 0.623 nan 8.210 nan 0.000 0.458 125 Q N 5.166 124.413 119.800 -0.922 0.000 2.492 125 Q HA 0.505 4.846 4.340 0.003 0.000 0.238 125 Q C 0.242 176.069 176.000 -0.289 0.000 1.045 125 Q CA -0.488 54.887 55.803 -0.713 0.000 0.934 125 Q CB 1.065 29.463 28.738 -0.568 0.000 1.276 125 Q HN 0.684 nan 8.270 nan 0.000 0.521 126 G N -1.153 107.511 108.800 -0.226 0.000 2.782 126 G HA2 0.541 4.502 3.960 0.003 0.000 0.201 126 G HA3 0.541 4.502 3.960 0.003 0.000 0.201 126 G C 0.278 175.082 174.900 -0.160 0.000 1.374 126 G CA -0.649 44.354 45.100 -0.160 0.000 1.039 126 G HN 1.316 nan 8.290 nan 0.000 0.576 127 G N -2.791 105.898 108.800 -0.184 0.000 2.173 127 G HA2 0.373 4.335 3.960 0.003 0.000 0.142 127 G HA3 0.373 4.335 3.960 0.003 0.000 0.142 127 G C 1.194 175.981 174.900 -0.189 0.000 1.019 127 G CA 0.803 45.833 45.100 -0.117 0.000 0.699 127 G HN 2.379 nan 8.290 nan 0.000 0.495 128 G N -0.390 108.063 108.800 -0.579 0.000 2.168 128 G HA2 -0.158 3.804 3.960 0.003 0.000 0.257 128 G HA3 -0.158 3.804 3.960 0.003 0.000 0.257 128 G C 0.832 175.613 174.900 -0.198 0.000 0.997 128 G CA 1.169 45.726 45.100 -0.905 0.000 0.708 128 G HN 1.979 nan 8.290 nan 0.000 0.520 129 Y N -4.063 116.234 120.300 -0.005 0.000 4.753 129 Y HA -0.293 4.259 4.550 0.002 0.000 0.232 129 Y C 2.103 178.112 175.900 0.180 0.000 1.029 129 Y CA 1.629 59.757 58.100 0.048 0.000 1.996 129 Y CB -1.824 36.426 38.460 -0.351 0.000 1.602 129 Y HN 1.189 nan 8.280 nan 0.000 0.621 130 A N -1.438 121.561 122.820 0.299 0.000 2.055 130 A HA 0.314 4.635 4.320 0.003 0.000 0.205 130 A C 0.833 178.550 177.584 0.222 0.000 1.235 130 A CA 0.695 52.934 52.037 0.337 0.000 0.822 130 A CB 0.540 19.797 19.000 0.429 0.000 0.903 130 A HN 0.182 nan 8.150 nan 0.000 0.473 131 E N -0.141 120.139 120.200 0.135 0.000 2.429 131 E HA 0.294 4.646 4.350 0.003 0.000 0.276 131 E C -1.748 174.809 176.600 -0.073 0.000 0.953 131 E CA -0.974 55.455 56.400 0.050 0.000 0.787 131 E CB 0.490 30.234 29.700 0.074 0.000 1.307 131 E HN 0.098 nan 8.360 nan 0.000 0.458 132 N N 0.473 119.093 118.700 -0.134 0.000 2.521 132 N HA 0.179 4.921 4.740 0.003 0.000 0.236 132 N C -0.203 175.212 175.510 -0.157 0.000 1.067 132 N CA 0.024 52.926 53.050 -0.246 0.000 0.939 132 N CB 0.622 38.944 38.487 -0.275 0.000 1.201 132 N HN 0.209 nan 8.380 nan 0.000 0.511 133 S N 1.127 116.744 115.700 -0.138 0.000 2.539 133 S HA 0.132 4.603 4.470 0.003 0.000 0.221 133 S C 0.158 174.717 174.600 -0.069 0.000 0.987 133 S CA -0.246 57.922 58.200 -0.054 0.000 0.929 133 S CB 0.013 63.229 63.200 0.026 0.000 0.832 133 S HN 0.520 nan 8.310 nan 0.000 0.492 134 N N 1.701 120.269 118.700 -0.220 0.000 2.610 134 N HA 0.435 5.177 4.740 0.003 0.000 0.307 134 N C -0.576 174.489 175.510 -0.740 0.000 1.813 134 N CA -0.160 52.610 53.050 -0.466 0.000 0.901 134 N CB 1.066 39.311 38.487 -0.403 0.000 1.354 134 N HN 0.219 nan 8.380 nan 0.000 0.491 135 A N 0.708 123.291 122.820 -0.395 0.000 2.302 135 A HA 0.527 4.848 4.320 0.003 0.000 0.285 135 A C 0.479 177.901 177.584 -0.269 0.000 1.105 135 A CA -0.360 51.477 52.037 -0.333 0.000 0.816 135 A CB 0.215 19.066 19.000 -0.249 0.000 1.067 135 A HN 0.465 nan 8.150 nan 0.000 0.489 136 N N -1.110 117.405 118.700 -0.309 0.000 2.754 136 N HA -0.141 4.601 4.740 0.003 0.000 0.248 136 N C -1.003 174.506 175.510 -0.002 0.000 1.093 136 N CA 0.925 53.689 53.050 -0.476 0.000 0.699 136 N CB -1.861 35.999 38.487 -1.045 0.000 1.016 136 N HN 0.549 nan 8.380 nan 0.000 0.552 137 Y N 0.851 121.062 120.300 -0.148 0.000 2.411 137 Y HA 0.218 4.770 4.550 0.002 0.000 0.333 137 Y C 1.461 177.228 175.900 -0.221 0.000 1.186 137 Y CA -0.938 56.996 58.100 -0.276 0.000 1.381 137 Y CB 0.414 38.507 38.460 -0.611 0.000 1.273 137 Y HN 0.052 nan 8.280 nan 0.000 0.546 138 N N 1.153 119.703 118.700 -0.250 0.000 2.444 138 N HA 0.127 4.869 4.740 0.003 0.000 0.271 138 N C 0.764 175.738 175.510 -0.893 0.000 1.069 138 N CA 0.196 52.973 53.050 -0.455 0.000 0.965 138 N CB 1.341 39.679 38.487 -0.248 0.000 1.092 138 N HN 0.900 nan 8.380 nan 0.000 0.476 139 G N 1.834 109.705 108.800 -1.549 0.000 3.042 139 G HA2 -0.072 3.889 3.960 0.003 0.000 0.212 139 G HA3 -0.072 3.889 3.960 0.003 0.000 0.212 139 G C 1.120 175.610 174.900 -0.684 0.000 1.166 139 G CA 0.174 44.503 45.100 -1.286 0.000 0.767 139 G HN 0.581 nan 8.290 nan 0.000 0.546 140 T N 0.669 114.930 114.554 -0.489 0.000 2.684 140 T HA -0.172 4.180 4.350 0.003 0.000 0.267 140 T C 2.367 176.972 174.700 -0.159 0.000 1.036 140 T CA 1.407 63.406 62.100 -0.167 0.000 1.148 140 T CB -0.122 68.708 68.868 -0.064 0.000 0.863 140 T HN 0.341 nan 8.240 nan 0.000 0.436 141 Q N 0.300 119.973 119.800 -0.212 0.000 2.079 141 Q HA -0.080 4.262 4.340 0.003 0.000 0.200 141 Q C 2.761 178.667 176.000 -0.157 0.000 0.974 141 Q CA 1.545 57.250 55.803 -0.163 0.000 0.840 141 Q CB -0.406 28.225 28.738 -0.178 0.000 0.898 141 Q HN 0.610 nan 8.270 nan 0.000 0.430 142 V N -1.704 118.074 119.914 -0.227 0.000 2.427 142 V HA -0.215 3.906 4.120 0.003 0.000 0.248 142 V C 1.969 178.033 176.094 -0.050 0.000 1.051 142 V CA 1.441 63.655 62.300 -0.145 0.000 1.048 142 V CB -0.664 31.032 31.823 -0.212 0.000 0.666 142 V HN 0.250 nan 8.190 nan 0.000 0.456 143 I N 0.221 120.754 120.570 -0.062 0.000 2.202 143 I HA -0.229 3.942 4.170 0.003 0.000 0.242 143 I C 3.026 179.149 176.117 0.010 0.000 1.091 143 I CA 1.997 63.313 61.300 0.027 0.000 1.368 143 I CB -0.446 37.598 38.000 0.074 0.000 1.058 143 I HN 0.340 nan 8.210 nan 0.000 0.410 144 Q N 0.590 120.380 119.800 -0.016 0.000 2.084 144 Q HA -0.200 4.142 4.340 0.003 0.000 0.202 144 Q C 2.449 178.432 176.000 -0.029 0.000 0.978 144 Q CA 1.769 57.563 55.803 -0.015 0.000 0.844 144 Q CB -0.321 28.405 28.738 -0.020 0.000 0.898 144 Q HN 0.580 nan 8.270 nan 0.000 0.426 145 A N 1.147 123.934 122.820 -0.054 0.000 1.972 145 A HA -0.170 4.151 4.320 0.003 0.000 0.219 145 A C 2.180 179.686 177.584 -0.130 0.000 1.169 145 A CA 1.631 53.611 52.037 -0.095 0.000 0.635 145 A CB -0.545 18.363 19.000 -0.153 0.000 0.810 145 A HN 0.438 nan 8.150 nan 0.000 0.446 146 S N -1.482 114.170 115.700 -0.080 0.000 2.555 146 S HA -0.016 4.455 4.470 0.003 0.000 0.230 146 S C 0.574 175.123 174.600 -0.084 0.000 0.978 146 S CA 1.015 59.169 58.200 -0.076 0.000 0.934 146 S CB -0.241 62.961 63.200 0.003 0.000 0.766 146 S HN 0.520 nan 8.310 nan 0.000 0.533 147 D N 0.867 121.234 120.400 -0.055 0.000 2.873 147 D HA -0.167 4.474 4.640 0.003 0.000 0.228 147 D C -0.393 175.895 176.300 -0.020 0.000 1.122 147 D CA 1.126 55.102 54.000 -0.041 0.000 0.758 147 D CB -2.168 38.591 40.800 -0.069 0.000 1.094 147 D HN 0.607 nan 8.370 nan 0.000 0.434 148 D N -1.828 118.574 120.400 0.003 0.000 2.835 148 D HA -0.180 4.461 4.640 0.003 0.000 0.230 148 D C 0.671 176.996 176.300 0.043 0.000 1.130 148 D CA 1.214 55.234 54.000 0.034 0.000 0.738 148 D CB -0.834 39.986 40.800 0.033 0.000 1.090 148 D HN 0.437 nan 8.370 nan 0.000 0.433 149 V N -1.647 118.289 119.914 0.037 0.000 3.070 149 V HA 0.440 4.562 4.120 0.003 0.000 0.355 149 V C 0.432 176.565 176.094 0.066 0.000 1.400 149 V CA -0.338 61.983 62.300 0.036 0.000 1.170 149 V CB -0.485 31.330 31.823 -0.014 0.000 1.169 149 V HN 0.349 nan 8.190 nan 0.000 0.554 150 I N -2.455 118.189 120.570 0.124 0.000 3.042 150 I HA 0.941 5.113 4.170 0.003 0.000 0.310 150 I C -1.185 175.087 176.117 0.258 0.000 1.117 150 I CA -1.368 60.050 61.300 0.197 0.000 1.003 150 I CB 2.536 40.697 38.000 0.269 0.000 1.228 150 I HN -0.155 nan 8.210 nan 0.000 0.443 151 V N 3.100 123.206 119.914 0.320 0.000 2.604 151 V HA 0.506 4.627 4.120 0.003 0.000 0.305 151 V C -1.110 175.272 176.094 0.480 0.000 1.043 151 V CA -0.440 62.076 62.300 0.360 0.000 0.888 151 V CB 1.835 33.836 31.823 0.296 0.000 0.995 151 V HN 0.607 nan 8.190 nan 0.000 0.429 152 F N 4.874 124.999 119.950 0.293 0.000 2.520 152 F HA 0.835 5.363 4.527 0.002 0.000 0.322 152 F C -0.736 175.243 175.800 0.299 0.000 1.103 152 F CA -0.637 57.511 58.000 0.247 0.000 0.926 152 F CB 1.891 40.907 39.000 0.027 0.000 1.154 152 F HN 0.250 nan 8.300 nan 0.000 0.453 153 V N 4.161 123.823 119.914 -0.421 0.000 2.638 153 V HA 0.669 4.790 4.120 0.003 0.000 0.306 153 V C -0.444 175.438 176.094 -0.354 0.000 1.052 153 V CA -0.468 61.703 62.300 -0.215 0.000 0.885 153 V CB 1.916 33.747 31.823 0.014 0.000 0.999 153 V HN 0.954 nan 8.190 nan 0.000 0.424 154 T N 1.111 115.598 114.554 -0.112 0.000 2.887 154 T HA 0.973 5.325 4.350 0.003 0.000 0.292 154 T C -0.929 173.889 174.700 0.196 0.000 1.087 154 T CA -0.715 61.392 62.100 0.012 0.000 1.009 154 T CB 2.488 71.359 68.868 0.004 0.000 1.203 154 T HN 1.293 nan 8.240 nan 0.000 0.518 155 F N -1.425 118.490 119.950 -0.059 0.000 2.770 155 F HA 0.657 5.186 4.527 0.003 0.000 0.313 155 F C -1.868 173.958 175.800 0.043 0.000 1.154 155 F CA -1.381 56.608 58.000 -0.019 0.000 0.923 155 F CB 0.583 39.481 39.000 -0.170 0.000 1.301 155 F HN 0.736 nan 8.300 nan 0.000 0.449 156 N N 0.204 119.028 118.700 0.208 0.000 2.430 156 N HA 0.696 5.438 4.740 0.003 0.000 0.298 156 N C -1.883 173.808 175.510 0.303 0.000 1.130 156 N CA -0.823 52.242 53.050 0.026 0.000 0.894 156 N CB 2.048 40.571 38.487 0.059 0.000 1.209 156 N HN 0.717 nan 8.380 nan 0.000 0.503 157 Y N -2.057 118.316 120.300 0.121 0.000 2.581 157 Y HA 0.556 5.107 4.550 0.002 0.000 0.345 157 Y C -0.441 175.530 175.900 0.119 0.000 1.036 157 Y CA -1.460 56.768 58.100 0.213 0.000 1.042 157 Y CB 0.860 39.493 38.460 0.288 0.000 1.289 157 Y HN 0.202 nan 8.280 nan 0.000 0.471 158 R N 1.346 121.975 120.500 0.215 0.000 2.641 158 R HA 0.611 4.953 4.340 0.003 0.000 0.269 158 R C -0.557 175.866 176.300 0.205 0.000 1.074 158 R CA -0.212 55.934 56.100 0.077 0.000 1.133 158 R CB 1.110 31.390 30.300 -0.033 0.000 1.029 158 R HN 0.743 nan 8.270 nan 0.000 0.488 159 V N -1.688 118.329 119.914 0.172 0.000 3.181 159 V HA 0.816 4.937 4.120 0.003 0.000 0.307 159 V C 0.508 176.759 176.094 0.262 0.000 1.310 159 V CA -0.355 62.169 62.300 0.374 0.000 1.067 159 V CB 0.968 32.931 31.823 0.233 0.000 1.081 159 V HN 0.966 nan 8.190 nan 0.000 0.453 160 G N 0.505 109.514 108.800 0.349 0.000 2.581 160 G HA2 0.007 3.968 3.960 0.003 0.000 0.291 160 G HA3 0.007 3.968 3.960 0.003 0.000 0.291 160 G C 1.131 175.903 174.900 -0.212 0.000 1.277 160 G CA 1.569 46.787 45.100 0.196 0.000 0.959 160 G HN 2.372 nan 8.290 nan 0.000 0.554 161 A N -1.065 121.245 122.820 -0.851 0.000 1.940 161 A HA 0.130 4.452 4.320 0.003 0.000 0.219 161 A C 2.695 180.022 177.584 -0.428 0.000 1.176 161 A CA 2.337 53.578 52.037 -1.326 0.000 0.631 161 A CB -0.373 17.739 19.000 -1.480 0.000 0.814 161 A HN 0.964 nan 8.150 nan 0.000 0.446 162 L N -1.243 119.856 121.223 -0.207 0.000 2.201 162 L HA -0.061 4.281 4.340 0.003 0.000 0.212 162 L C 2.569 179.352 176.870 -0.146 0.000 1.105 162 L CA 0.976 55.724 54.840 -0.152 0.000 0.775 162 L CB -0.385 41.571 42.059 -0.172 0.000 0.913 162 L HN 0.503 nan 8.230 nan 0.000 0.440 163 G N -1.571 107.146 108.800 -0.139 0.000 2.719 163 G HA2 -0.024 3.938 3.960 0.003 0.000 0.211 163 G HA3 -0.024 3.938 3.960 0.003 0.000 0.211 163 G C 0.710 175.127 174.900 -0.805 0.000 1.140 163 G CA -0.012 44.858 45.100 -0.383 0.000 0.790 163 G HN 0.274 nan 8.290 nan 0.000 0.529 164 F N -0.173 119.772 119.950 -0.008 0.000 2.815 164 F HA 0.443 4.971 4.527 0.003 0.000 0.335 164 F C 0.075 175.878 175.800 0.005 0.000 1.179 164 F CA -1.051 56.953 58.000 0.007 0.000 1.204 164 F CB 0.582 39.620 39.000 0.064 0.000 1.050 164 F HN -0.124 nan 8.300 nan 0.000 0.510 165 L N 2.203 123.427 121.223 0.001 0.000 2.499 165 L HA 0.503 4.845 4.340 0.003 0.000 0.273 165 L C 0.171 177.047 176.870 0.009 0.000 1.195 165 L CA 0.076 54.891 54.840 -0.041 0.000 0.882 165 L CB 0.241 42.164 42.059 -0.227 0.000 1.133 165 L HN 0.212 nan 8.230 nan 0.000 0.483 166 A N 4.089 126.926 122.820 0.029 0.000 2.353 166 A HA 0.787 5.109 4.320 0.003 0.000 0.299 166 A C -0.607 176.907 177.584 -0.117 0.000 1.089 166 A CA -0.174 51.840 52.037 -0.037 0.000 0.736 166 A CB 1.475 20.471 19.000 -0.007 0.000 1.195 166 A HN 0.735 nan 8.150 nan 0.000 0.447 167 S N 0.863 116.415 115.700 -0.246 0.000 2.565 167 S HA 0.384 4.856 4.470 0.003 0.000 0.274 167 S C 0.191 174.586 174.600 -0.341 0.000 1.144 167 S CA -0.261 57.691 58.200 -0.414 0.000 0.849 167 S CB 1.275 63.805 63.200 -1.117 0.000 1.103 167 S HN 0.562 nan 8.310 nan 0.000 0.455 168 E N 1.981 122.017 120.200 -0.274 0.000 2.130 168 E HA -0.088 4.263 4.350 0.003 0.000 0.196 168 E C 1.433 177.887 176.600 -0.243 0.000 0.998 168 E CA 1.664 57.943 56.400 -0.202 0.000 0.806 168 E CB -0.117 29.499 29.700 -0.140 0.000 0.738 168 E HN 0.605 nan 8.360 nan 0.000 0.459 169 K N -0.560 119.606 120.400 -0.391 0.000 2.147 169 K HA -0.065 4.256 4.320 0.003 0.000 0.205 169 K C 2.068 178.498 176.600 -0.283 0.000 1.049 169 K CA 0.961 57.041 56.287 -0.344 0.000 0.936 169 K CB -0.070 32.166 32.500 -0.441 0.000 0.722 169 K HN -0.030 nan 8.250 nan 0.000 0.446 170 V N 1.193 120.884 119.914 -0.372 0.000 2.261 170 V HA -0.251 3.870 4.120 0.003 0.000 0.246 170 V C 2.362 178.389 176.094 -0.111 0.000 1.047 170 V CA 1.850 64.032 62.300 -0.196 0.000 1.015 170 V CB -0.443 31.266 31.823 -0.190 0.000 0.642 170 V HN 0.322 nan 8.190 nan 0.000 0.446 171 R N -0.251 120.172 120.500 -0.128 0.000 2.148 171 R HA -0.166 4.176 4.340 0.003 0.000 0.227 171 R C 2.177 178.440 176.300 -0.061 0.000 1.103 171 R CA 1.471 57.522 56.100 -0.082 0.000 0.983 171 R CB -0.083 30.163 30.300 -0.090 0.000 0.874 171 R HN 0.595 nan 8.270 nan 0.000 0.451 172 Q N -0.618 119.138 119.800 -0.072 0.000 2.331 172 Q HA -0.020 4.322 4.340 0.003 0.000 0.203 172 Q C 0.032 176.016 176.000 -0.027 0.000 0.944 172 Q CA 0.685 56.459 55.803 -0.047 0.000 0.892 172 Q CB 0.375 29.081 28.738 -0.053 0.000 0.983 172 Q HN 0.106 nan 8.270 nan 0.000 0.482 173 N N -0.302 118.385 118.700 -0.023 0.000 2.666 173 N HA 0.282 5.024 4.740 0.003 0.000 0.253 173 N C -1.094 174.430 175.510 0.024 0.000 1.621 173 N CA 0.396 53.448 53.050 0.005 0.000 0.785 173 N CB 0.751 39.248 38.487 0.015 0.000 1.332 173 N HN 0.198 nan 8.380 nan 0.000 0.514 174 G N 0.329 109.139 108.800 0.016 0.000 2.368 174 G HA2 0.203 4.164 3.960 0.003 0.000 0.269 174 G HA3 0.203 4.164 3.960 0.003 0.000 0.269 174 G C -2.208 172.697 174.900 0.007 0.000 1.291 174 G CA -0.770 44.352 45.100 0.035 0.000 0.903 174 G HN 0.251 nan 8.290 nan 0.000 0.483 175 D N -0.431 119.974 120.400 0.007 0.000 2.947 175 D HA 0.544 5.186 4.640 0.003 0.000 0.224 175 D C 0.001 176.277 176.300 -0.039 0.000 1.230 175 D CA -0.591 53.398 54.000 -0.018 0.000 0.871 175 D CB 2.252 43.043 40.800 -0.015 0.000 1.671 175 D HN 0.460 nan 8.370 nan 0.000 0.507 176 L N 2.006 123.195 121.223 -0.058 0.000 2.464 176 L HA 0.277 4.618 4.340 0.003 0.000 0.264 176 L C 0.572 177.378 176.870 -0.107 0.000 1.199 176 L CA -0.513 54.282 54.840 -0.074 0.000 0.818 176 L CB 0.217 42.232 42.059 -0.074 0.000 1.102 176 L HN 0.500 nan 8.230 nan 0.000 0.473 177 N N 0.759 119.387 118.700 -0.121 0.000 2.727 177 N HA -0.239 4.503 4.740 0.003 0.000 0.249 177 N C 0.897 176.204 175.510 -0.339 0.000 1.048 177 N CA 0.851 53.789 53.050 -0.187 0.000 0.714 177 N CB -0.756 37.657 38.487 -0.123 0.000 0.959 177 N HN 0.825 nan 8.380 nan 0.000 0.544 178 A N -0.005 122.590 122.820 -0.375 0.000 1.948 178 A HA -0.088 4.234 4.320 0.003 0.000 0.220 178 A C 2.337 179.743 177.584 -0.297 0.000 1.177 178 A CA 2.313 54.188 52.037 -0.269 0.000 0.636 178 A CB -0.829 18.048 19.000 -0.206 0.000 0.815 178 A HN 0.542 nan 8.150 nan 0.000 0.449 179 G N -0.414 108.002 108.800 -0.641 0.000 2.422 179 G HA2 -0.159 3.803 3.960 0.003 0.000 0.218 179 G HA3 -0.159 3.803 3.960 0.003 0.000 0.218 179 G C 1.538 176.460 174.900 0.037 0.000 1.146 179 G CA 1.042 45.978 45.100 -0.273 0.000 0.769 179 G HN 0.457 nan 8.290 nan 0.000 0.547 180 L N -0.097 121.117 121.223 -0.016 0.000 2.109 180 L HA 0.074 4.416 4.340 0.003 0.000 0.207 180 L C 2.834 179.738 176.870 0.057 0.000 1.086 180 L CA 0.337 55.198 54.840 0.035 0.000 0.760 180 L CB -0.317 41.707 42.059 -0.058 0.000 0.910 180 L HN 0.182 nan 8.230 nan 0.000 0.437 181 L N -0.538 120.692 121.223 0.011 0.000 2.131 181 L HA -0.216 4.126 4.340 0.003 0.000 0.210 181 L C 2.176 179.121 176.870 0.125 0.000 1.092 181 L CA 0.876 55.753 54.840 0.062 0.000 0.759 181 L CB -0.681 41.389 42.059 0.018 0.000 0.903 181 L HN 0.289 nan 8.230 nan 0.000 0.435 182 D N 0.078 120.568 120.400 0.150 0.000 2.104 182 D HA -0.210 4.431 4.640 0.003 0.000 0.194 182 D C 2.291 178.779 176.300 0.312 0.000 0.994 182 D CA 1.224 55.401 54.000 0.295 0.000 0.830 182 D CB -0.202 40.820 40.800 0.371 0.000 0.959 182 D HN 0.410 nan 8.370 nan 0.000 0.452 183 Q N 0.061 120.032 119.800 0.285 0.000 2.096 183 Q HA -0.119 4.222 4.340 0.003 0.000 0.204 183 Q C 2.244 178.287 176.000 0.072 0.000 0.982 183 Q CA 0.877 56.824 55.803 0.239 0.000 0.850 183 Q CB 0.047 29.004 28.738 0.364 0.000 0.901 183 Q HN 0.159 nan 8.270 nan 0.000 0.422 184 R N 0.968 121.589 120.500 0.203 0.000 2.083 184 R HA -0.136 4.205 4.340 0.003 0.000 0.237 184 R C 2.098 178.444 176.300 0.076 0.000 1.137 184 R CA 1.335 57.536 56.100 0.168 0.000 0.951 184 R CB -0.546 29.887 30.300 0.221 0.000 0.851 184 R HN 0.112 nan 8.270 nan 0.000 0.434 185 K N 0.779 121.243 120.400 0.106 0.000 2.063 185 K HA -0.060 4.262 4.320 0.003 0.000 0.208 185 K C 1.960 178.578 176.600 0.029 0.000 1.048 185 K CA 1.626 58.000 56.287 0.146 0.000 0.928 185 K CB -0.370 32.299 32.500 0.282 0.000 0.713 185 K HN 0.169 nan 8.250 nan 0.000 0.442 186 A N 0.177 122.772 122.820 -0.376 0.000 1.902 186 A HA -0.108 4.214 4.320 0.003 0.000 0.217 186 A C 2.040 179.353 177.584 -0.450 0.000 1.181 186 A CA 1.389 52.860 52.037 -0.942 0.000 0.623 186 A CB -0.663 17.051 19.000 -2.143 0.000 0.818 186 A HN 0.270 nan 8.150 nan 0.000 0.443 187 L N -0.166 120.857 121.223 -0.334 0.000 2.042 187 L HA -0.179 4.162 4.340 0.003 0.000 0.210 187 L C 2.699 179.570 176.870 0.003 0.000 1.076 187 L CA 1.855 56.621 54.840 -0.125 0.000 0.749 187 L CB -0.524 41.485 42.059 -0.084 0.000 0.893 187 L HN 0.333 nan 8.230 nan 0.000 0.432 188 R N -2.318 118.198 120.500 0.026 0.000 2.115 188 R HA -0.212 4.130 4.340 0.003 0.000 0.230 188 R C 2.164 178.511 176.300 0.078 0.000 1.111 188 R CA 1.479 57.605 56.100 0.043 0.000 0.976 188 R CB -0.592 29.735 30.300 0.046 0.000 0.870 188 R HN 0.454 nan 8.270 nan 0.000 0.445 189 W N 1.180 122.461 121.300 -0.032 0.000 2.355 189 W HA -0.223 4.439 4.660 0.003 0.000 0.309 189 W C 1.863 178.449 176.519 0.111 0.000 1.206 189 W CA 1.295 58.700 57.345 0.100 0.000 1.284 189 W CB -0.196 29.335 29.460 0.119 0.000 1.145 189 W HN -0.251 nan 8.180 nan 0.000 0.502 190 V N 1.176 121.301 119.914 0.353 0.000 2.295 190 V HA -0.340 3.782 4.120 0.003 0.000 0.246 190 V C 2.333 178.446 176.094 0.032 0.000 1.049 190 V CA 2.379 64.804 62.300 0.209 0.000 1.024 190 V CB -1.201 30.739 31.823 0.195 0.000 0.648 190 V HN 0.101 nan 8.190 nan 0.000 0.447 191 K N 0.529 120.936 120.400 0.011 0.000 2.032 191 K HA -0.263 4.059 4.320 0.003 0.000 0.209 191 K C 2.269 178.785 176.600 -0.141 0.000 1.048 191 K CA 2.161 58.426 56.287 -0.037 0.000 0.927 191 K CB -0.453 32.028 32.500 -0.033 0.000 0.712 191 K HN 0.576 nan 8.250 nan 0.000 0.441 192 Q N -1.754 117.876 119.800 -0.284 0.000 2.123 192 Q HA -0.130 4.211 4.340 0.003 0.000 0.199 192 Q C 0.941 176.561 176.000 -0.634 0.000 0.966 192 Q CA 1.397 56.874 55.803 -0.544 0.000 0.845 192 Q CB 0.080 28.313 28.738 -0.842 0.000 0.907 192 Q HN 0.459 nan 8.270 nan 0.000 0.439 193 Y N -1.578 118.526 120.300 -0.327 0.000 2.430 193 Y HA 0.149 4.700 4.550 0.003 0.000 0.254 193 Y C 1.389 177.224 175.900 -0.108 0.000 1.088 193 Y CA -0.508 57.381 58.100 -0.351 0.000 1.267 193 Y CB 0.321 38.295 38.460 -0.811 0.000 1.204 193 Y HN 0.096 nan 8.280 nan 0.000 0.515 194 I N 1.000 121.611 120.570 0.069 0.000 2.567 194 I HA -0.219 3.953 4.170 0.003 0.000 0.257 194 I C 2.259 178.524 176.117 0.246 0.000 1.184 194 I CA 1.364 62.800 61.300 0.226 0.000 1.451 194 I CB -0.243 37.850 38.000 0.155 0.000 1.089 194 I HN 0.253 nan 8.210 nan 0.000 0.441 195 E N -0.230 120.045 120.200 0.126 0.000 2.118 195 E HA -0.271 4.080 4.350 0.003 0.000 0.195 195 E C 1.886 178.524 176.600 0.063 0.000 0.992 195 E CA 1.021 57.472 56.400 0.085 0.000 0.804 195 E CB 0.043 29.763 29.700 0.032 0.000 0.741 195 E HN 0.507 nan 8.360 nan 0.000 0.458 196 Q N -0.748 119.067 119.800 0.025 0.000 2.291 196 Q HA -0.119 4.223 4.340 0.003 0.000 0.205 196 Q C 1.192 177.009 176.000 -0.304 0.000 0.970 196 Q CA 0.889 56.593 55.803 -0.164 0.000 0.876 196 Q CB -0.008 28.558 28.738 -0.288 0.000 0.935 196 Q HN 0.370 nan 8.270 nan 0.000 0.455 197 F N -0.663 119.260 119.950 -0.045 0.000 2.660 197 F HA 0.282 4.811 4.527 0.003 0.000 0.302 197 F C 1.464 177.288 175.800 0.041 0.000 1.103 197 F CA 0.430 58.407 58.000 -0.038 0.000 1.340 197 F CB 0.361 39.351 39.000 -0.017 0.000 1.048 197 F HN 0.120 nan 8.300 nan 0.000 0.551 198 G N 0.130 109.029 108.800 0.165 0.000 2.176 198 G HA2 -0.207 3.754 3.960 0.003 0.000 0.253 198 G HA3 -0.207 3.754 3.960 0.003 0.000 0.253 198 G C 0.698 175.691 174.900 0.155 0.000 0.979 198 G CA -0.202 44.983 45.100 0.141 0.000 0.641 198 G HN 0.744 nan 8.290 nan 0.000 0.530 199 G N -0.603 108.310 108.800 0.189 0.000 2.507 199 G HA2 0.474 4.436 3.960 0.003 0.000 0.271 199 G HA3 0.474 4.436 3.960 0.003 0.000 0.271 199 G C -0.715 174.266 174.900 0.135 0.000 1.189 199 G CA 0.335 45.540 45.100 0.175 0.000 0.859 199 G HN 0.246 nan 8.290 nan 0.000 0.542 200 D N 0.895 121.375 120.400 0.134 0.000 2.373 200 D HA 0.281 4.922 4.640 0.003 0.000 0.227 200 D C -1.131 175.250 176.300 0.136 0.000 1.091 200 D CA -2.389 51.684 54.000 0.122 0.000 0.840 200 D CB 1.966 42.845 40.800 0.131 0.000 1.060 200 D HN 0.037 nan 8.370 nan 0.000 0.502 201 P HA -0.062 nan 4.420 nan 0.000 0.225 201 P C 0.110 177.452 177.300 0.071 0.000 1.148 201 P CA 0.626 63.770 63.100 0.074 0.000 0.779 201 P CB 0.556 32.270 31.700 0.024 0.000 0.780 202 D N -1.918 118.530 120.400 0.079 0.000 2.328 202 D HA -0.012 4.630 4.640 0.003 0.000 0.221 202 D C 0.438 176.796 176.300 0.096 0.000 1.072 202 D CA 0.543 54.580 54.000 0.061 0.000 0.850 202 D CB -0.395 40.432 40.800 0.045 0.000 0.922 202 D HN 0.271 nan 8.370 nan 0.000 0.516 203 H N 0.526 119.632 119.070 0.060 0.000 2.511 203 H HA 0.331 4.889 4.556 0.003 0.000 0.228 203 H C -0.811 174.583 175.328 0.110 0.000 1.424 203 H CA -0.271 55.819 56.048 0.070 0.000 1.321 203 H CB -0.487 29.311 29.762 0.060 0.000 1.720 203 H HN -0.025 nan 8.280 nan 0.000 0.512 204 I N 1.972 122.663 120.570 0.202 0.000 2.359 204 I HA 0.210 4.382 4.170 0.003 0.000 0.294 204 I C -0.011 176.258 176.117 0.254 0.000 0.987 204 I CA -0.855 60.598 61.300 0.256 0.000 1.225 204 I CB 2.067 40.212 38.000 0.241 0.000 1.366 204 I HN -0.044 nan 8.210 nan 0.000 0.466 205 V N 7.088 127.168 119.914 0.277 0.000 2.417 205 V HA 0.397 4.518 4.120 0.003 0.000 0.291 205 V C 0.112 176.384 176.094 0.298 0.000 1.024 205 V CA -0.688 61.763 62.300 0.250 0.000 0.861 205 V CB 1.681 33.602 31.823 0.164 0.000 0.985 205 V HN 0.531 nan 8.190 nan 0.000 0.436 206 I N 2.149 122.837 120.570 0.196 0.000 2.428 206 I HA 0.550 4.722 4.170 0.003 0.000 0.289 206 I C -0.142 176.173 176.117 0.329 0.000 1.019 206 I CA -0.092 61.314 61.300 0.178 0.000 1.351 206 I CB 0.767 38.674 38.000 -0.155 0.000 1.412 206 I HN 0.806 nan 8.210 nan 0.000 0.513 207 H N 4.592 123.892 119.070 0.384 0.000 2.800 207 H HA 0.595 5.152 4.556 0.003 0.000 0.322 207 H C -0.803 174.774 175.328 0.415 0.000 0.979 207 H CA -0.861 55.491 56.048 0.506 0.000 1.277 207 H CB 1.544 31.862 29.762 0.928 0.000 1.484 207 H HN 0.981 nan 8.280 nan 0.000 0.512 208 G N 3.562 112.648 108.800 0.477 0.000 2.415 208 G HA2 0.434 4.395 3.960 0.003 0.000 0.327 208 G HA3 0.434 4.395 3.960 0.003 0.000 0.327 208 G C -1.321 173.739 174.900 0.268 0.000 1.182 208 G CA -0.523 44.680 45.100 0.172 0.000 0.924 208 G HN 0.481 nan 8.290 nan 0.000 0.470 209 V N 2.374 122.329 119.914 0.068 0.000 2.495 209 V HA 0.688 4.810 4.120 0.003 0.000 0.298 209 V C 0.835 176.988 176.094 0.099 0.000 1.031 209 V CA 1.054 63.474 62.300 0.200 0.000 0.871 209 V CB 0.987 32.996 31.823 0.311 0.000 0.988 209 V HN 1.624 nan 8.190 nan 0.000 0.432 210 S N 4.952 120.764 115.700 0.187 0.000 4.116 210 S HA -0.297 4.175 4.470 0.003 0.000 0.623 210 S C 1.647 176.280 174.600 0.056 0.000 1.933 210 S CA 1.930 60.261 58.200 0.219 0.000 4.224 210 S CB -1.732 61.594 63.200 0.211 0.000 0.208 210 S HN 2.449 nan 8.310 nan 0.000 0.527 211 A N 0.996 123.681 122.820 -0.224 0.000 2.024 211 A HA 0.163 4.485 4.320 0.003 0.000 0.220 211 A C 2.422 179.866 177.584 -0.233 0.000 1.164 211 A CA 2.370 54.172 52.037 -0.392 0.000 0.643 211 A CB -1.486 16.963 19.000 -0.918 0.000 0.806 211 A HN 1.616 nan 8.150 nan 0.000 0.451 212 G N -0.891 107.837 108.800 -0.120 0.000 2.448 212 G HA2 0.102 4.064 3.960 0.003 0.000 0.218 212 G HA3 0.102 4.064 3.960 0.003 0.000 0.218 212 G C 1.582 176.509 174.900 0.045 0.000 1.135 212 G CA 1.123 46.181 45.100 -0.069 0.000 0.784 212 G HN 0.729 nan 8.290 nan 0.000 0.543 213 A N 0.823 123.702 122.820 0.099 0.000 1.930 213 A HA 0.283 4.605 4.320 0.003 0.000 0.215 213 A C 2.650 180.329 177.584 0.158 0.000 1.176 213 A CA 1.725 53.857 52.037 0.159 0.000 0.632 213 A CB -0.827 18.290 19.000 0.196 0.000 0.819 213 A HN 0.417 nan 8.150 nan 0.000 0.445 214 G N -0.330 108.579 108.800 0.182 0.000 2.418 214 G HA2 -0.173 3.789 3.960 0.003 0.000 0.217 214 G HA3 -0.173 3.789 3.960 0.003 0.000 0.217 214 G C 1.792 176.721 174.900 0.048 0.000 1.158 214 G CA 1.339 46.539 45.100 0.166 0.000 0.771 214 G HN 0.469 nan 8.290 nan 0.000 0.545 215 S N 0.047 115.864 115.700 0.196 0.000 2.370 215 S HA -0.135 4.336 4.470 0.003 0.000 0.226 215 S C 2.481 177.143 174.600 0.104 0.000 1.033 215 S CA 1.208 59.526 58.200 0.196 0.000 1.011 215 S CB -0.315 62.970 63.200 0.143 0.000 0.852 215 S HN 0.188 nan 8.310 nan 0.000 0.457 216 V N 1.997 122.016 119.914 0.175 0.000 2.392 216 V HA -0.230 3.892 4.120 0.003 0.000 0.249 216 V C 2.636 178.818 176.094 0.147 0.000 1.059 216 V CA 1.672 64.089 62.300 0.194 0.000 1.051 216 V CB -1.232 30.677 31.823 0.144 0.000 0.658 216 V HN 0.555 nan 8.190 nan 0.000 0.455 217 A N -1.011 121.853 122.820 0.074 0.000 1.908 217 A HA -0.233 4.089 4.320 0.003 0.000 0.218 217 A C 2.059 179.652 177.584 0.015 0.000 1.181 217 A CA 1.923 54.008 52.037 0.080 0.000 0.627 217 A CB -0.723 18.210 19.000 -0.112 0.000 0.818 217 A HN 0.561 nan 8.150 nan 0.000 0.445 218 Y N -0.175 120.093 120.300 -0.054 0.000 2.242 218 Y HA -0.175 4.377 4.550 0.002 0.000 0.291 218 Y C 2.632 178.454 175.900 -0.130 0.000 1.137 218 Y CA 1.326 59.325 58.100 -0.167 0.000 1.181 218 Y CB -0.646 37.637 38.460 -0.296 0.000 0.989 218 Y HN 0.463 nan 8.280 nan 0.000 0.527 219 H N -0.616 118.589 119.070 0.226 0.000 2.389 219 H HA -0.087 4.471 4.556 0.003 0.000 0.299 219 H C 2.359 177.905 175.328 0.363 0.000 1.081 219 H CA 1.422 57.617 56.048 0.246 0.000 1.345 219 H CB -0.528 29.319 29.762 0.140 0.000 1.393 219 H HN 0.333 nan 8.280 nan 0.000 0.520 220 L N 0.685 122.158 121.223 0.417 0.000 2.046 220 L HA -0.127 4.215 4.340 0.003 0.000 0.208 220 L C 2.151 179.177 176.870 0.260 0.000 1.077 220 L CA 1.617 56.712 54.840 0.426 0.000 0.747 220 L CB -0.260 42.035 42.059 0.393 0.000 0.896 220 L HN 0.246 nan 8.230 nan 0.000 0.432 221 S N -0.846 114.937 115.700 0.138 0.000 2.597 221 S HA 0.350 4.822 4.470 0.003 0.000 0.224 221 S C 0.802 175.431 174.600 0.048 0.000 0.955 221 S CA -0.269 57.945 58.200 0.022 0.000 0.933 221 S CB -0.113 63.027 63.200 -0.100 0.000 0.788 221 S HN 0.181 nan 8.310 nan 0.000 0.488 222 A N 1.238 124.120 122.820 0.104 0.000 2.548 222 A HA 0.417 4.738 4.320 0.003 0.000 0.247 222 A C 0.317 177.940 177.584 0.065 0.000 1.067 222 A CA -0.088 51.946 52.037 -0.005 0.000 0.757 222 A CB -1.013 18.078 19.000 0.152 0.000 0.996 222 A HN 0.769 nan 8.150 nan 0.000 0.504 223 Y N 0.357 120.674 120.300 0.028 0.000 4.324 223 Y HA -0.283 4.269 4.550 0.003 0.000 0.224 223 Y C 1.645 177.541 175.900 -0.007 0.000 1.113 223 Y CA 1.452 59.554 58.100 0.005 0.000 1.887 223 Y CB -1.677 36.785 38.460 0.003 0.000 1.602 223 Y HN 2.163 nan 8.280 nan 0.000 0.654 224 G N -1.863 106.976 108.800 0.065 0.000 2.175 224 G HA2 0.160 4.121 3.960 0.003 0.000 0.244 224 G HA3 0.160 4.121 3.960 0.003 0.000 0.244 224 G C 1.205 176.108 174.900 0.004 0.000 0.982 224 G CA 0.770 45.886 45.100 0.027 0.000 0.641 224 G HN 1.938 nan 8.290 nan 0.000 0.527 225 G N -0.680 108.144 108.800 0.041 0.000 2.154 225 G HA2 -0.104 3.857 3.960 0.003 0.000 0.186 225 G HA3 -0.104 3.857 3.960 0.003 0.000 0.186 225 G C 0.152 175.038 174.900 -0.023 0.000 1.000 225 G CA 0.993 46.094 45.100 0.003 0.000 0.664 225 G HN 1.253 nan 8.290 nan 0.000 0.513 226 K N 0.908 121.312 120.400 0.007 0.000 2.401 226 K HA 0.259 4.581 4.320 0.003 0.000 0.278 226 K C -0.507 176.067 176.600 -0.044 0.000 1.018 226 K CA -0.325 55.943 56.287 -0.032 0.000 0.981 226 K CB 0.361 32.843 32.500 -0.031 0.000 0.933 226 K HN 0.045 nan 8.250 nan 0.000 0.477 227 D N 3.888 124.233 120.400 -0.090 0.000 2.338 227 D HA -0.002 4.640 4.640 0.003 0.000 0.255 227 D C 0.112 176.330 176.300 -0.137 0.000 1.237 227 D CA 0.120 54.035 54.000 -0.140 0.000 0.883 227 D CB 0.901 41.611 40.800 -0.150 0.000 1.087 227 D HN 0.478 nan 8.370 nan 0.000 0.485 228 E N 2.136 122.245 120.200 -0.152 0.000 2.479 228 E HA 0.113 4.465 4.350 0.003 0.000 0.193 228 E C 1.253 177.766 176.600 -0.145 0.000 1.049 228 E CA 0.252 56.580 56.400 -0.121 0.000 0.870 228 E CB 0.321 29.978 29.700 -0.071 0.000 0.944 228 E HN 0.796 nan 8.360 nan 0.000 0.492 229 G N 1.610 110.282 108.800 -0.213 0.000 2.147 229 G HA2 -0.287 3.675 3.960 0.003 0.000 0.244 229 G HA3 -0.287 3.675 3.960 0.003 0.000 0.244 229 G C 0.861 175.656 174.900 -0.174 0.000 1.005 229 G CA 0.495 45.484 45.100 -0.185 0.000 0.713 229 G HN 0.337 nan 8.290 nan 0.000 0.515 230 L N -1.409 119.660 121.223 -0.256 0.000 2.418 230 L HA 0.408 4.750 4.340 0.003 0.000 0.218 230 L C 1.047 177.962 176.870 0.076 0.000 1.125 230 L CA 0.821 55.616 54.840 -0.075 0.000 0.835 230 L CB -0.181 41.909 42.059 0.051 0.000 0.953 230 L HN 0.515 nan 8.230 nan 0.000 0.454 231 F N -2.417 117.554 119.950 0.034 0.000 2.719 231 F HA 0.402 4.930 4.527 0.003 0.000 0.309 231 F C -0.008 175.804 175.800 0.019 0.000 1.138 231 F CA -1.446 56.581 58.000 0.044 0.000 0.943 231 F CB 0.682 39.731 39.000 0.082 0.000 1.304 231 F HN -0.106 nan 8.300 nan 0.000 0.445 232 I N -1.024 119.650 120.570 0.173 0.000 4.081 232 I HA 0.852 5.023 4.170 0.003 0.000 0.333 232 I C 0.226 176.405 176.117 0.103 0.000 1.413 232 I CA -0.102 61.221 61.300 0.039 0.000 1.110 232 I CB 0.653 38.570 38.000 -0.139 0.000 1.082 232 I HN 0.917 nan 8.210 nan 0.000 0.402 233 G N 0.896 109.856 108.800 0.268 0.000 2.547 233 G HA2 0.731 4.692 3.960 0.003 0.000 0.291 233 G HA3 0.731 4.692 3.960 0.003 0.000 0.291 233 G C -2.103 173.008 174.900 0.351 0.000 1.471 233 G CA -0.219 45.042 45.100 0.269 0.000 0.798 233 G HN 0.391 nan 8.290 nan 0.000 0.504 234 A N 0.140 123.206 122.820 0.411 0.000 2.488 234 A HA 0.790 5.112 4.320 0.003 0.000 0.298 234 A C -0.954 176.726 177.584 0.160 0.000 1.044 234 A CA -0.537 51.641 52.037 0.235 0.000 0.693 234 A CB 1.143 20.224 19.000 0.135 0.000 1.272 234 A HN 0.798 nan 8.150 nan 0.000 0.402 235 I N 2.236 122.876 120.570 0.117 0.000 2.354 235 I HA 0.405 4.577 4.170 0.003 0.000 0.292 235 I C -0.715 175.495 176.117 0.155 0.000 0.989 235 I CA -0.865 60.407 61.300 -0.048 0.000 1.188 235 I CB 1.919 39.785 38.000 -0.224 0.000 1.342 235 I HN 0.293 nan 8.210 nan 0.000 0.457 236 V N 6.042 126.014 119.914 0.097 0.000 2.266 236 V HA 0.210 4.332 4.120 0.003 0.000 0.271 236 V C 0.119 176.340 176.094 0.212 0.000 1.032 236 V CA -0.536 61.851 62.300 0.145 0.000 0.806 236 V CB 0.961 32.795 31.823 0.020 0.000 1.052 236 V HN 0.724 nan 8.190 nan 0.000 0.449 237 E N 3.014 123.441 120.200 0.378 0.000 2.014 237 E HA 0.371 4.722 4.350 0.003 0.000 0.275 237 E C -0.231 176.578 176.600 0.350 0.000 0.997 237 E CA -0.146 56.544 56.400 0.484 0.000 0.804 237 E CB 0.627 30.753 29.700 0.710 0.000 1.090 237 E HN 0.696 nan 8.360 nan 0.000 0.401 238 S N 2.433 118.295 115.700 0.270 0.000 3.578 238 S HA -0.152 4.320 4.470 0.003 0.000 0.449 238 S C -0.108 174.686 174.600 0.323 0.000 0.853 238 S CA 0.635 59.014 58.200 0.298 0.000 1.348 238 S CB -1.256 62.148 63.200 0.342 0.000 0.907 238 S HN 0.646 nan 8.310 nan 0.000 0.627 239 S N 1.573 117.344 115.700 0.119 0.000 2.571 239 S HA 0.198 4.669 4.470 0.003 0.000 0.298 239 S C -0.206 174.435 174.600 0.067 0.000 1.280 239 S CA 0.369 58.559 58.200 -0.016 0.000 1.052 239 S CB 0.062 62.992 63.200 -0.450 0.000 0.799 239 S HN 0.605 nan 8.310 nan 0.000 0.501 240 F N 3.792 123.671 119.950 -0.119 0.000 2.659 240 F HA 0.515 5.044 4.527 0.002 0.000 0.342 240 F C -2.004 173.763 175.800 -0.054 0.000 1.168 240 F CA -1.195 56.586 58.000 -0.365 0.000 1.003 240 F CB 0.799 39.587 39.000 -0.353 0.000 1.267 240 F HN 0.517 nan 8.300 nan 0.000 0.463 241 W N 8.627 129.388 121.300 -0.899 0.000 2.433 241 W HA 0.419 5.081 4.660 0.002 0.000 0.288 241 W C -2.549 173.540 176.519 -0.717 0.000 0.986 241 W CA -2.697 54.222 57.345 -0.710 0.000 1.680 241 W CB 0.173 29.332 29.460 -0.501 0.000 1.615 241 W HN 0.318 nan 8.180 nan 0.000 0.416 242 P HA 0.148 nan 4.420 nan 0.000 0.282 242 P C 0.280 177.487 177.300 -0.155 0.000 1.287 242 P CA -0.206 62.623 63.100 -0.451 0.000 0.792 242 P CB 0.914 32.250 31.700 -0.607 0.000 1.163 243 T N 0.150 114.648 114.554 -0.093 0.000 2.908 243 T HA -0.049 4.303 4.350 0.003 0.000 0.301 243 T C 0.064 174.701 174.700 -0.105 0.000 1.019 243 T CA 0.370 62.439 62.100 -0.051 0.000 1.152 243 T CB -0.674 68.082 68.868 -0.186 0.000 0.966 243 T HN 0.368 nan 8.240 nan 0.000 0.540 244 Q N 5.289 125.041 119.800 -0.080 0.000 2.456 244 Q HA 0.326 4.667 4.340 0.003 0.000 0.252 244 Q C -0.254 175.696 176.000 -0.082 0.000 1.042 244 Q CA -0.725 55.021 55.803 -0.094 0.000 0.766 244 Q CB 0.493 29.183 28.738 -0.079 0.000 1.196 244 Q HN 0.650 nan 8.270 nan 0.000 0.504 245 R N 0.367 120.812 120.500 -0.092 0.000 2.549 245 R HA 0.395 4.736 4.340 0.003 0.000 0.259 245 R C 0.424 176.693 176.300 -0.052 0.000 1.095 245 R CA -0.167 55.888 56.100 -0.075 0.000 1.148 245 R CB 0.833 31.083 30.300 -0.083 0.000 1.181 245 R HN 0.603 nan 8.270 nan 0.000 0.571 246 T N -2.568 111.966 114.554 -0.034 0.000 2.816 246 T HA 0.104 4.456 4.350 0.003 0.000 0.282 246 T C 1.440 176.129 174.700 -0.018 0.000 0.993 246 T CA -0.918 61.165 62.100 -0.029 0.000 0.994 246 T CB 0.934 69.790 68.868 -0.020 0.000 1.025 246 T HN 0.176 nan 8.240 nan 0.000 0.529 247 V N 1.734 121.631 119.914 -0.030 0.000 2.287 247 V HA -0.197 3.925 4.120 0.003 0.000 0.248 247 V C 3.148 179.234 176.094 -0.014 0.000 1.053 247 V CA 2.553 64.831 62.300 -0.036 0.000 1.027 247 V CB -1.354 30.434 31.823 -0.057 0.000 0.646 247 V HN 1.107 nan 8.190 nan 0.000 0.447 248 S N -0.049 115.651 115.700 -0.001 0.000 2.402 248 S HA -0.214 4.258 4.470 0.003 0.000 0.229 248 S C 1.699 176.344 174.600 0.075 0.000 1.021 248 S CA 1.483 59.698 58.200 0.024 0.000 0.974 248 S CB -0.516 62.694 63.200 0.017 0.000 0.800 248 S HN 0.726 nan 8.310 nan 0.000 0.484 249 E N 0.239 120.484 120.200 0.075 0.000 2.478 249 E HA 0.115 4.466 4.350 0.003 0.000 0.198 249 E C 0.999 177.766 176.600 0.279 0.000 1.046 249 E CA 0.524 57.005 56.400 0.135 0.000 0.870 249 E CB -0.068 29.665 29.700 0.055 0.000 0.818 249 E HN 0.471 nan 8.360 nan 0.000 0.527 250 M N 0.022 119.720 119.600 0.164 0.000 2.333 250 M HA 0.087 4.569 4.480 0.003 0.000 0.257 250 M C 1.071 177.352 176.300 -0.032 0.000 1.078 250 M CA 0.373 55.715 55.300 0.070 0.000 1.005 250 M CB 0.491 33.085 32.600 -0.010 0.000 1.444 250 M HN -0.020 nan 8.290 nan 0.000 0.496 251 E N 0.716 120.969 120.200 0.088 0.000 2.077 251 E HA -0.181 4.170 4.350 0.003 0.000 0.193 251 E C 1.819 178.497 176.600 0.131 0.000 0.989 251 E CA 1.390 57.852 56.400 0.103 0.000 0.800 251 E CB -0.585 29.178 29.700 0.105 0.000 0.746 251 E HN 0.647 nan 8.360 nan 0.000 0.452 252 F N 1.788 121.815 119.950 0.128 0.000 2.154 252 F HA -0.245 4.284 4.527 0.003 0.000 0.301 252 F C 2.381 178.271 175.800 0.151 0.000 1.087 252 F CA 1.835 59.913 58.000 0.129 0.000 1.274 252 F CB -0.701 38.370 39.000 0.118 0.000 1.009 252 F HN -0.022 nan 8.300 nan 0.000 0.485 253 Q N -0.218 118.771 119.800 -1.351 0.000 2.083 253 Q HA -0.169 4.172 4.340 0.003 0.000 0.198 253 Q C 2.267 178.147 176.000 -0.200 0.000 0.969 253 Q CA 1.607 56.783 55.803 -1.045 0.000 0.838 253 Q CB -0.545 27.398 28.738 -1.325 0.000 0.900 253 Q HN 0.533 nan 8.270 nan 0.000 0.436 254 F N 1.680 121.506 119.950 -0.208 0.000 2.095 254 F HA -0.182 4.346 4.527 0.002 0.000 0.298 254 F C 1.759 177.600 175.800 0.068 0.000 1.104 254 F CA 2.084 60.073 58.000 -0.019 0.000 1.232 254 F CB -0.005 38.961 39.000 -0.057 0.000 0.987 254 F HN 0.153 nan 8.300 nan 0.000 0.475 255 E N -0.217 120.020 120.200 0.062 0.000 2.072 255 E HA -0.227 4.124 4.350 0.003 0.000 0.191 255 E C 2.323 178.907 176.600 -0.026 0.000 0.985 255 E CA 1.155 57.556 56.400 0.002 0.000 0.801 255 E CB -0.247 29.525 29.700 0.119 0.000 0.750 255 E HN 0.367 nan 8.360 nan 0.000 0.452 256 R N -0.016 120.509 120.500 0.042 0.000 2.075 256 R HA -0.156 4.186 4.340 0.003 0.000 0.232 256 R C 2.156 178.511 176.300 0.091 0.000 1.126 256 R CA 1.160 57.311 56.100 0.084 0.000 0.963 256 R CB -0.260 30.130 30.300 0.151 0.000 0.858 256 R HN 0.148 nan 8.270 nan 0.000 0.435 257 F N 0.737 120.663 119.950 -0.041 0.000 2.095 257 F HA -0.204 4.325 4.527 0.002 0.000 0.298 257 F C 1.972 177.684 175.800 -0.145 0.000 1.104 257 F CA 1.463 59.447 58.000 -0.026 0.000 1.232 257 F CB -0.536 38.466 39.000 0.004 0.000 0.987 257 F HN -0.195 nan 8.300 nan 0.000 0.475 258 V N 0.634 120.356 119.914 -0.320 0.000 2.332 258 V HA -0.369 3.752 4.120 0.003 0.000 0.248 258 V C 2.186 178.124 176.094 -0.259 0.000 1.055 258 V CA 2.317 64.380 62.300 -0.395 0.000 1.038 258 V CB -0.918 30.639 31.823 -0.445 0.000 0.651 258 V HN 0.336 nan 8.190 nan 0.000 0.450 259 N N 0.306 118.909 118.700 -0.163 0.000 2.043 259 N HA -0.163 4.578 4.740 0.003 0.000 0.193 259 N C 1.530 176.973 175.510 -0.111 0.000 1.037 259 N CA 1.709 54.699 53.050 -0.100 0.000 0.851 259 N CB -0.391 38.071 38.487 -0.041 0.000 1.027 259 N HN 0.450 nan 8.380 nan 0.000 0.422 260 D N -1.129 119.200 120.400 -0.119 0.000 2.178 260 D HA -0.076 4.566 4.640 0.003 0.000 0.201 260 D C 1.454 177.657 176.300 -0.162 0.000 0.980 260 D CA 1.243 55.181 54.000 -0.103 0.000 0.842 260 D CB -0.536 40.237 40.800 -0.045 0.000 0.948 260 D HN 0.461 nan 8.370 nan 0.000 0.472 261 T N -3.241 111.141 114.554 -0.287 0.000 3.169 261 T HA 0.345 4.696 4.350 0.003 0.000 0.250 261 T C 1.502 176.096 174.700 -0.177 0.000 1.111 261 T CA 0.406 62.337 62.100 -0.282 0.000 1.010 261 T CB 0.240 68.818 68.868 -0.483 0.000 0.984 261 T HN 0.179 nan 8.240 nan 0.000 0.537 262 G N 0.008 108.723 108.800 -0.141 0.000 2.160 262 G HA2 -0.262 3.700 3.960 0.003 0.000 0.244 262 G HA3 -0.262 3.700 3.960 0.003 0.000 0.244 262 G C 0.586 175.431 174.900 -0.091 0.000 1.022 262 G CA -0.062 44.981 45.100 -0.094 0.000 0.741 262 G HN 0.598 nan 8.290 nan 0.000 0.508 263 c N 1.022 119.549 118.600 -0.122 0.000 2.974 263 c HA 0.412 4.983 4.570 0.003 0.000 0.282 263 c C 2.626 176.666 174.090 -0.083 0.000 1.292 263 c CA 0.750 57.017 56.329 -0.104 0.000 1.710 263 c CB -0.763 41.663 42.510 -0.139 0.000 2.036 263 c HN 0.910 nan 8.230 nan 0.000 0.629 264 S N 0.794 116.449 115.700 -0.074 0.000 2.481 264 S HA -0.101 4.371 4.470 0.003 0.000 0.231 264 S C 1.577 176.163 174.600 -0.024 0.000 0.996 264 S CA 1.463 59.632 58.200 -0.051 0.000 0.942 264 S CB -0.410 62.764 63.200 -0.043 0.000 0.768 264 S HN 0.683 nan 8.310 nan 0.000 0.520 265 S N 0.791 116.478 115.700 -0.021 0.000 2.556 265 S HA 0.603 5.074 4.470 0.003 0.000 0.216 265 S C 0.682 175.281 174.600 -0.003 0.000 0.970 265 S CA -0.112 58.083 58.200 -0.008 0.000 0.912 265 S CB -0.268 62.927 63.200 -0.008 0.000 0.790 265 S HN 0.716 nan 8.310 nan 0.000 0.504 266 A N 1.907 124.724 122.820 -0.006 0.000 2.425 266 A HA 0.501 4.822 4.320 0.003 0.000 0.249 266 A C 1.229 178.822 177.584 0.016 0.000 1.084 266 A CA -0.571 51.469 52.037 0.004 0.000 0.781 266 A CB 0.310 19.311 19.000 0.002 0.000 1.019 266 A HN 0.470 nan 8.150 nan 0.000 0.490 267 R N 0.359 120.871 120.500 0.020 0.000 2.066 267 R HA -0.066 4.275 4.340 0.003 0.000 0.232 267 R C -0.111 176.211 176.300 0.037 0.000 1.131 267 R CA 1.311 57.426 56.100 0.026 0.000 0.955 267 R CB 0.067 30.380 30.300 0.021 0.000 0.851 267 R HN 0.795 nan 8.270 nan 0.000 0.432 268 D N 0.198 120.621 120.400 0.038 0.000 2.485 268 D HA 0.114 4.755 4.640 0.003 0.000 0.221 268 D C 0.191 176.530 176.300 0.065 0.000 1.112 268 D CA -0.020 54.011 54.000 0.052 0.000 0.911 268 D CB 1.172 41.998 40.800 0.044 0.000 1.019 268 D HN -0.076 nan 8.370 nan 0.000 0.516 269 S N 2.693 118.449 115.700 0.094 0.000 2.359 269 S HA -0.187 4.285 4.470 0.003 0.000 0.224 269 S C 1.714 176.381 174.600 0.112 0.000 1.035 269 S CA 0.510 58.769 58.200 0.098 0.000 1.018 269 S CB -0.014 63.301 63.200 0.192 0.000 0.876 269 S HN 0.468 nan 8.310 nan 0.000 0.448 270 L N 1.876 123.199 121.223 0.167 0.000 2.046 270 L HA -0.036 4.306 4.340 0.003 0.000 0.208 270 L C 2.392 179.346 176.870 0.140 0.000 1.077 270 L CA 1.780 56.712 54.840 0.153 0.000 0.747 270 L CB -0.967 41.170 42.059 0.131 0.000 0.896 270 L HN 0.366 nan 8.230 nan 0.000 0.432 271 E N -1.449 118.813 120.200 0.104 0.000 2.058 271 E HA -0.310 4.042 4.350 0.003 0.000 0.194 271 E C 2.441 179.089 176.600 0.079 0.000 0.997 271 E CA 1.754 58.206 56.400 0.087 0.000 0.801 271 E CB -0.315 29.421 29.700 0.060 0.000 0.746 271 E HN 0.635 nan 8.360 nan 0.000 0.450 272 c N 0.502 119.138 118.600 0.059 0.000 2.413 272 c HA -0.104 4.467 4.570 0.003 0.000 0.276 272 c C 2.637 176.755 174.090 0.048 0.000 1.248 272 c CA 0.725 57.075 56.329 0.035 0.000 1.742 272 c CB -1.193 41.321 42.510 0.007 0.000 2.017 272 c HN 0.499 nan 8.230 nan 0.000 0.481 273 L N 0.301 121.570 121.223 0.077 0.000 2.042 273 L HA -0.136 4.205 4.340 0.003 0.000 0.210 273 L C 2.947 179.965 176.870 0.246 0.000 1.076 273 L CA 1.767 56.696 54.840 0.149 0.000 0.749 273 L CB -0.678 41.501 42.059 0.200 0.000 0.893 273 L HN 0.333 nan 8.230 nan 0.000 0.432 274 R N -0.114 120.536 120.500 0.249 0.000 2.285 274 R HA -0.129 4.213 4.340 0.003 0.000 0.213 274 R C 1.746 178.098 176.300 0.086 0.000 1.068 274 R CA 0.780 56.987 56.100 0.179 0.000 1.004 274 R CB -0.105 30.291 30.300 0.161 0.000 0.873 274 R HN 0.515 nan 8.270 nan 0.000 0.467 275 E N -0.060 120.182 120.200 0.070 0.000 2.400 275 E HA -0.012 4.339 4.350 0.003 0.000 0.195 275 E C 0.061 176.677 176.600 0.025 0.000 1.012 275 E CA 0.090 56.512 56.400 0.037 0.000 0.875 275 E CB 0.358 30.075 29.700 0.028 0.000 0.859 275 E HN 0.157 nan 8.360 nan 0.000 0.498 276 Q N 2.218 122.038 119.800 0.032 0.000 2.352 276 Q HA 0.040 4.381 4.340 0.003 0.000 0.260 276 Q C -0.282 175.726 176.000 0.014 0.000 0.976 276 Q CA 0.010 55.821 55.803 0.013 0.000 0.881 276 Q CB 0.564 29.302 28.738 -0.001 0.000 1.235 276 Q HN 0.180 nan 8.270 nan 0.000 0.419 277 D N -0.041 120.363 120.400 0.005 0.000 2.360 277 D HA -0.028 4.613 4.640 0.003 0.000 0.242 277 D C 0.899 177.206 176.300 0.011 0.000 1.184 277 D CA -0.576 53.427 54.000 0.005 0.000 0.930 277 D CB 0.814 41.616 40.800 0.003 0.000 1.161 277 D HN 0.385 nan 8.370 nan 0.000 0.447 278 I N 0.945 121.521 120.570 0.010 0.000 2.264 278 I HA -0.196 3.976 4.170 0.003 0.000 0.248 278 I C 2.136 178.269 176.117 0.027 0.000 1.111 278 I CA 1.806 63.117 61.300 0.019 0.000 1.382 278 I CB -0.907 37.099 38.000 0.010 0.000 1.060 278 I HN 0.571 nan 8.210 nan 0.000 0.418 279 A N -0.944 121.887 122.820 0.019 0.000 1.940 279 A HA -0.245 4.076 4.320 0.003 0.000 0.219 279 A C 2.356 179.949 177.584 0.015 0.000 1.176 279 A CA 2.572 54.620 52.037 0.019 0.000 0.631 279 A CB -1.393 17.614 19.000 0.012 0.000 0.814 279 A HN 0.485 nan 8.150 nan 0.000 0.446 280 T N 0.320 114.876 114.554 0.003 0.000 2.737 280 T HA -0.061 4.290 4.350 0.003 0.000 0.265 280 T C 1.815 176.499 174.700 -0.026 0.000 1.038 280 T CA 1.235 63.324 62.100 -0.018 0.000 1.144 280 T CB -0.270 68.580 68.868 -0.031 0.000 0.866 280 T HN 0.310 nan 8.240 nan 0.000 0.434 281 I N 1.719 122.295 120.570 0.010 0.000 2.194 281 I HA -0.163 4.008 4.170 0.003 0.000 0.246 281 I C 2.525 178.720 176.117 0.131 0.000 1.093 281 I CA 1.466 62.808 61.300 0.070 0.000 1.355 281 I CB -1.104 36.996 38.000 0.167 0.000 1.046 281 I HN 0.269 nan 8.210 nan 0.000 0.413 282 Q N 0.760 120.621 119.800 0.102 0.000 2.291 282 Q HA -0.163 4.179 4.340 0.003 0.000 0.206 282 Q C 2.097 178.164 176.000 0.111 0.000 0.976 282 Q CA 0.982 56.856 55.803 0.118 0.000 0.875 282 Q CB -0.309 28.477 28.738 0.080 0.000 0.927 282 Q HN 0.550 nan 8.270 nan 0.000 0.450 283 K N -0.671 119.766 120.400 0.061 0.000 2.147 283 K HA -0.085 4.236 4.320 0.003 0.000 0.205 283 K C 1.880 178.525 176.600 0.075 0.000 1.049 283 K CA 1.255 57.567 56.287 0.041 0.000 0.936 283 K CB -0.110 32.386 32.500 -0.007 0.000 0.722 283 K HN 0.244 nan 8.250 nan 0.000 0.446 284 G N 0.543 109.401 108.800 0.097 0.000 2.838 284 G HA2 -0.113 3.848 3.960 0.003 0.000 0.210 284 G HA3 -0.113 3.848 3.960 0.003 0.000 0.210 284 G C 0.614 175.884 174.900 0.617 0.000 1.153 284 G CA -0.233 45.020 45.100 0.255 0.000 0.778 284 G HN 0.117 nan 8.290 nan 0.000 0.539 285 N N 1.098 120.094 118.700 0.492 0.000 3.245 285 N HA 0.223 4.964 4.740 0.003 0.000 0.296 285 N C -0.716 175.031 175.510 0.395 0.000 1.254 285 N CA 0.189 53.509 53.050 0.450 0.000 1.190 285 N CB -0.119 38.524 38.487 0.260 0.000 1.460 285 N HN 0.089 nan 8.380 nan 0.000 0.538 286 T N -1.378 113.438 114.554 0.436 0.000 2.821 286 T HA 0.619 4.971 4.350 0.003 0.000 0.306 286 T C -0.263 174.419 174.700 -0.031 0.000 1.313 286 T CA -0.610 61.603 62.100 0.189 0.000 1.012 286 T CB 0.891 69.819 68.868 0.099 0.000 1.298 286 T HN 0.225 nan 8.240 nan 0.000 0.502 287 G N 1.307 109.984 108.800 -0.206 0.000 2.476 287 G HA2 0.600 4.561 3.960 0.003 0.000 0.269 287 G HA3 0.600 4.561 3.960 0.003 0.000 0.269 287 G C -0.424 174.063 174.900 -0.689 0.000 1.195 287 G CA 0.122 44.854 45.100 -0.614 0.000 0.843 287 G HN 1.253 nan 8.290 nan 0.000 0.545 288 S N 0.695 115.772 115.700 -1.037 0.000 2.611 288 S HA 0.689 5.161 4.470 0.003 0.000 0.268 288 S C -3.377 170.968 174.600 -0.425 0.000 1.156 288 S CA -1.254 56.623 58.200 -0.539 0.000 0.817 288 S CB 1.774 64.768 63.200 -0.344 0.000 1.122 288 S HN 0.404 nan 8.310 nan 0.000 0.466 289 P HA 0.389 nan 4.420 nan 0.000 0.271 289 P C -0.789 176.454 177.300 -0.095 0.000 1.216 289 P CA -0.259 62.762 63.100 -0.131 0.000 0.776 289 P CB 0.052 31.712 31.700 -0.066 0.000 0.881 290 F N 2.746 122.686 119.950 -0.018 0.000 2.490 290 F HA 0.198 4.727 4.527 0.002 0.000 0.336 290 F C -1.338 174.222 175.800 -0.401 0.000 1.178 290 F CA -1.622 56.213 58.000 -0.275 0.000 1.301 290 F CB -0.398 38.515 39.000 -0.146 0.000 1.175 290 F HN 0.213 nan 8.300 nan 0.000 0.593 291 P HA 0.137 nan 4.420 nan 0.000 0.268 291 P C 0.475 177.712 177.300 -0.105 0.000 1.204 291 P CA 0.913 63.860 63.100 -0.255 0.000 0.768 291 P CB 0.624 32.143 31.700 -0.302 0.000 0.842 292 G N 1.676 110.441 108.800 -0.058 0.000 2.241 292 G HA2 -0.154 3.807 3.960 0.003 0.000 0.244 292 G HA3 -0.154 3.807 3.960 0.003 0.000 0.244 292 G C 0.573 175.474 174.900 0.001 0.000 0.998 292 G CA -0.145 44.941 45.100 -0.023 0.000 0.621 292 G HN 0.900 nan 8.290 nan 0.000 0.519 293 G N 0.173 108.980 108.800 0.011 0.000 2.477 293 G HA2 0.701 4.663 3.960 0.003 0.000 0.304 293 G HA3 0.701 4.663 3.960 0.003 0.000 0.304 293 G C 0.497 175.397 174.900 0.001 0.000 1.175 293 G CA 1.008 46.123 45.100 0.025 0.000 0.907 293 G HN 1.493 nan 8.290 nan 0.000 0.509 294 S N -1.137 114.560 115.700 -0.004 0.000 2.686 294 S HA 0.335 4.807 4.470 0.003 0.000 0.270 294 S C 1.796 176.381 174.600 -0.025 0.000 1.194 294 S CA 0.459 58.651 58.200 -0.015 0.000 0.990 294 S CB 1.281 64.471 63.200 -0.016 0.000 1.029 294 S HN 1.174 nan 8.310 nan 0.000 0.560 295 S N -0.410 115.275 115.700 -0.025 0.000 2.461 295 S HA 0.154 4.625 4.470 0.003 0.000 0.228 295 S C 0.644 175.223 174.600 -0.036 0.000 1.005 295 S CA 0.469 58.650 58.200 -0.031 0.000 0.942 295 S CB -0.501 62.686 63.200 -0.022 0.000 0.776 295 S HN 0.913 nan 8.310 nan 0.000 0.514 296 S N 1.812 117.491 115.700 -0.035 0.000 2.543 296 S HA 0.576 5.048 4.470 0.003 0.000 0.271 296 S C -3.172 171.379 174.600 -0.081 0.000 1.148 296 S CA -1.345 56.835 58.200 -0.033 0.000 0.914 296 S CB 1.763 64.961 63.200 -0.004 0.000 1.096 296 S HN 0.171 nan 8.310 nan 0.000 0.471 297 P HA 0.293 nan 4.420 nan 0.000 0.277 297 P C -0.331 176.953 177.300 -0.026 0.000 1.240 297 P CA -0.525 62.566 63.100 -0.014 0.000 0.798 297 P CB 0.464 32.197 31.700 0.055 0.000 0.979 298 L N 3.263 124.462 121.223 -0.039 0.000 2.499 298 L HA 0.107 4.448 4.340 0.003 0.000 0.281 298 L C -1.473 175.348 176.870 -0.081 0.000 1.234 298 L CA -1.496 53.289 54.840 -0.091 0.000 0.839 298 L CB -0.625 41.358 42.059 -0.126 0.000 1.104 298 L HN 0.295 nan 8.230 nan 0.000 0.500 299 P HA -0.018 nan 4.420 nan 0.000 0.267 299 P C -0.371 176.834 177.300 -0.159 0.000 1.200 299 P CA -0.163 62.895 63.100 -0.070 0.000 0.772 299 P CB 0.712 32.412 31.700 -0.000 0.000 0.855 300 D N 1.093 121.316 120.400 -0.295 0.000 2.149 300 D HA -0.100 4.542 4.640 0.003 0.000 0.198 300 D C 0.066 175.843 176.300 -0.872 0.000 0.990 300 D CA 1.707 55.241 54.000 -0.777 0.000 0.839 300 D CB -0.122 39.955 40.800 -1.205 0.000 0.948 300 D HN 0.509 nan 8.370 nan 0.000 0.460 301 W N -1.346 120.080 121.300 0.210 0.000 2.883 301 W HA 0.391 5.053 4.660 0.003 0.000 0.335 301 W C 0.140 176.813 176.519 0.258 0.000 1.083 301 W CA -1.042 56.455 57.345 0.253 0.000 1.233 301 W CB 0.642 30.297 29.460 0.325 0.000 1.412 301 W HN -0.253 nan 8.180 nan 0.000 0.490 302 Y N 1.173 121.610 120.300 0.228 0.000 2.886 302 Y HA 0.453 5.004 4.550 0.003 0.000 0.244 302 Y C 0.226 176.083 175.900 -0.072 0.000 1.017 302 Y CA -0.594 57.443 58.100 -0.104 0.000 1.389 302 Y CB -0.068 38.189 38.460 -0.338 0.000 1.477 302 Y HN 0.186 nan 8.280 nan 0.000 0.466 303 F N 3.214 123.241 119.950 0.128 0.000 2.445 303 F HA 0.503 5.032 4.527 0.003 0.000 0.359 303 F C -0.465 175.363 175.800 0.045 0.000 1.101 303 F CA -0.002 58.015 58.000 0.028 0.000 1.177 303 F CB 0.379 39.453 39.000 0.123 0.000 1.110 303 F HN -0.121 nan 8.300 nan 0.000 0.522 304 L N 4.214 125.486 121.223 0.082 0.000 2.469 304 L HA 0.467 4.809 4.340 0.003 0.000 0.256 304 L C -2.552 174.095 176.870 -0.372 0.000 1.006 304 L CA -2.421 52.279 54.840 -0.233 0.000 0.832 304 L CB 2.721 44.747 42.059 -0.056 0.000 1.421 304 L HN 0.266 nan 8.230 nan 0.000 0.410 305 P HA 0.025 nan 4.420 nan 0.000 0.264 305 P C -1.006 176.143 177.300 -0.253 0.000 1.183 305 P CA -0.023 62.787 63.100 -0.484 0.000 0.763 305 P CB 0.468 31.709 31.700 -0.765 0.000 0.807 306 V N -0.067 119.745 119.914 -0.170 0.000 3.046 306 V HA 0.540 4.662 4.120 0.003 0.000 0.316 306 V C -0.060 175.941 176.094 -0.156 0.000 1.104 306 V CA -0.789 61.434 62.300 -0.127 0.000 1.006 306 V CB 1.502 33.284 31.823 -0.068 0.000 1.058 306 V HN 0.352 nan 8.190 nan 0.000 0.440 307 T N 3.160 117.646 114.554 -0.113 0.000 2.793 307 T HA 0.164 4.516 4.350 0.003 0.000 0.289 307 T C 0.467 175.108 174.700 -0.099 0.000 0.956 307 T CA 0.989 63.027 62.100 -0.103 0.000 1.177 307 T CB -0.007 68.821 68.868 -0.067 0.000 0.897 307 T HN 1.072 nan 8.240 nan 0.000 0.533 308 D N 1.390 121.719 120.400 -0.118 0.000 2.433 308 D HA 0.211 4.853 4.640 0.003 0.000 0.211 308 D C 1.504 177.761 176.300 -0.071 0.000 1.114 308 D CA 0.169 54.111 54.000 -0.097 0.000 0.837 308 D CB -0.203 40.528 40.800 -0.116 0.000 0.984 308 D HN 0.714 nan 8.370 nan 0.000 0.505 309 G N -0.081 108.678 108.800 -0.067 0.000 2.184 309 G HA2 -0.344 3.617 3.960 0.003 0.000 0.264 309 G HA3 -0.344 3.617 3.960 0.003 0.000 0.264 309 G C 0.914 175.803 174.900 -0.018 0.000 0.975 309 G CA 1.162 46.240 45.100 -0.038 0.000 0.642 309 G HN 0.771 nan 8.290 nan 0.000 0.536 310 S N -1.421 114.254 115.700 -0.042 0.000 3.799 310 S HA 0.460 4.932 4.470 0.003 0.000 0.170 310 S C 1.688 176.166 174.600 -0.203 0.000 0.840 310 S CA 0.812 59.030 58.200 0.029 0.000 1.025 310 S CB -0.257 63.013 63.200 0.117 0.000 1.455 310 S HN 1.034 nan 8.310 nan 0.000 0.804 311 L N 2.569 123.500 121.223 -0.487 0.000 2.043 311 L HA 0.212 4.554 4.340 0.003 0.000 0.212 311 L C 0.330 176.870 176.870 -0.550 0.000 1.075 311 L CA 1.822 56.073 54.840 -0.981 0.000 0.752 311 L CB -0.437 41.273 42.059 -0.582 0.000 0.891 311 L HN 0.420 nan 8.230 nan 0.000 0.432 312 V N 1.714 121.423 119.914 -0.342 0.000 2.235 312 V HA 0.284 4.405 4.120 0.003 0.000 0.266 312 V C -1.655 174.358 176.094 -0.136 0.000 1.055 312 V CA -0.698 61.462 62.300 -0.233 0.000 0.844 312 V CB 0.570 32.184 31.823 -0.348 0.000 1.097 312 V HN 0.224 nan 8.190 nan 0.000 0.453 313 P HA 0.121 nan 4.420 nan 0.000 0.236 313 P C 0.158 177.440 177.300 -0.031 0.000 1.177 313 P CA 0.947 64.018 63.100 -0.048 0.000 0.773 313 P CB 0.964 32.651 31.700 -0.023 0.000 0.878 314 D N -1.344 119.041 120.400 -0.025 0.000 2.615 314 D HA 0.158 4.800 4.640 0.003 0.000 0.267 314 D C -0.640 175.654 176.300 -0.010 0.000 1.236 314 D CA -0.500 53.494 54.000 -0.009 0.000 0.839 314 D CB 1.481 42.286 40.800 0.008 0.000 1.380 314 D HN -0.290 nan 8.370 nan 0.000 0.433 315 E N 1.148 121.343 120.200 -0.008 0.000 2.413 315 E HA 0.057 4.408 4.350 0.003 0.000 0.263 315 E C 1.293 177.854 176.600 -0.065 0.000 1.015 315 E CA 0.034 56.415 56.400 -0.031 0.000 0.916 315 E CB 0.836 30.542 29.700 0.010 0.000 0.947 315 E HN 0.394 nan 8.360 nan 0.000 0.440 316 L N 2.002 123.058 121.223 -0.279 0.000 2.042 316 L HA -0.261 4.081 4.340 0.003 0.000 0.210 316 L C 2.170 178.981 176.870 -0.099 0.000 1.076 316 L CA 1.443 55.998 54.840 -0.475 0.000 0.749 316 L CB -0.452 40.623 42.059 -1.639 0.000 0.893 316 L HN 0.603 nan 8.230 nan 0.000 0.432 317 Y N 0.452 120.710 120.300 -0.071 0.000 2.128 317 Y HA -0.283 4.269 4.550 0.003 0.000 0.284 317 Y C 2.559 178.588 175.900 0.216 0.000 1.154 317 Y CA 1.759 59.912 58.100 0.088 0.000 1.149 317 Y CB -0.274 38.143 38.460 -0.072 0.000 0.976 317 Y HN 0.278 nan 8.280 nan 0.000 0.505 318 N N -0.109 118.756 118.700 0.275 0.000 2.084 318 N HA -0.192 4.550 4.740 0.003 0.000 0.190 318 N C 1.943 177.582 175.510 0.215 0.000 1.030 318 N CA 1.486 54.661 53.050 0.208 0.000 0.849 318 N CB -0.817 37.738 38.487 0.114 0.000 1.012 318 N HN 0.364 nan 8.380 nan 0.000 0.423 319 A N 0.001 122.924 122.820 0.171 0.000 1.908 319 A HA -0.094 4.227 4.320 0.003 0.000 0.218 319 A C 1.980 179.655 177.584 0.151 0.000 1.181 319 A CA 1.152 53.253 52.037 0.108 0.000 0.627 319 A CB -0.962 18.045 19.000 0.012 0.000 0.818 319 A HN 0.262 nan 8.150 nan 0.000 0.445 320 F N 0.209 120.286 119.950 0.211 0.000 2.206 320 F HA -0.113 4.416 4.527 0.003 0.000 0.298 320 F C 2.081 178.092 175.800 0.352 0.000 1.090 320 F CA 1.354 59.489 58.000 0.225 0.000 1.323 320 F CB -0.206 38.784 39.000 -0.016 0.000 1.028 320 F HN 0.171 nan 8.300 nan 0.000 0.492 321 D N 0.263 120.968 120.400 0.508 0.000 2.123 321 D HA -0.184 4.458 4.640 0.003 0.000 0.196 321 D C 2.272 178.744 176.300 0.286 0.000 0.992 321 D CA 1.492 55.716 54.000 0.373 0.000 0.833 321 D CB -0.499 40.501 40.800 0.333 0.000 0.954 321 D HN 0.232 nan 8.370 nan 0.000 0.455 322 A N -0.423 122.538 122.820 0.234 0.000 2.119 322 A HA 0.281 4.603 4.320 0.003 0.000 0.217 322 A C 1.847 179.501 177.584 0.117 0.000 1.153 322 A CA 1.486 53.611 52.037 0.148 0.000 0.692 322 A CB -0.363 18.692 19.000 0.092 0.000 0.799 322 A HN 0.313 nan 8.150 nan 0.000 0.458 323 G N -0.742 108.165 108.800 0.177 0.000 2.147 323 G HA2 -0.244 3.718 3.960 0.003 0.000 0.244 323 G HA3 -0.244 3.718 3.960 0.003 0.000 0.244 323 G C 0.013 174.651 174.900 -0.437 0.000 1.005 323 G CA 0.290 45.286 45.100 -0.174 0.000 0.713 323 G HN 0.422 nan 8.290 nan 0.000 0.515 324 N N 0.542 119.169 118.700 -0.122 0.000 3.243 324 N HA 0.505 5.247 4.740 0.003 0.000 0.310 324 N C -0.122 175.322 175.510 -0.110 0.000 1.313 324 N CA 0.363 53.332 53.050 -0.135 0.000 1.204 324 N CB -0.589 37.871 38.487 -0.044 0.000 1.483 324 N HN 0.704 nan 8.380 nan 0.000 0.553 325 F N -2.379 117.370 119.950 -0.335 0.000 2.686 325 F HA 0.568 5.097 4.527 0.003 0.000 0.311 325 F C -0.624 175.052 175.800 -0.206 0.000 1.128 325 F CA -1.475 56.328 58.000 -0.327 0.000 0.946 325 F CB 0.711 39.318 39.000 -0.655 0.000 1.336 325 F HN -0.253 nan 8.300 nan 0.000 0.457 326 I N 3.077 123.706 120.570 0.099 0.000 2.556 326 I HA 0.157 4.329 4.170 0.003 0.000 0.284 326 I C -0.221 175.943 176.117 0.079 0.000 1.114 326 I CA -0.459 60.861 61.300 0.033 0.000 1.418 326 I CB 0.715 38.786 38.000 0.119 0.000 1.394 326 I HN 0.355 nan 8.210 nan 0.000 0.552 327 K N 7.639 127.986 120.400 -0.089 0.000 2.206 327 K HA 0.349 4.671 4.320 0.003 0.000 0.268 327 K C -0.579 176.070 176.600 0.082 0.000 1.111 327 K CA -0.237 56.038 56.287 -0.020 0.000 0.955 327 K CB 0.348 32.760 32.500 -0.148 0.000 1.406 327 K HN 0.477 nan 8.250 nan 0.000 0.427 328 V N -0.444 119.584 119.914 0.191 0.000 3.001 328 V HA 0.615 4.737 4.120 0.003 0.000 0.314 328 V C -2.723 173.517 176.094 0.244 0.000 1.099 328 V CA -3.105 59.310 62.300 0.191 0.000 0.989 328 V CB 1.813 33.779 31.823 0.239 0.000 1.040 328 V HN 0.249 nan 8.190 nan 0.000 0.434 329 P HA 0.246 nan 4.420 nan 0.000 0.265 329 P C -0.839 176.763 177.300 0.503 0.000 1.187 329 P CA 0.292 63.605 63.100 0.355 0.000 0.766 329 P CB 0.548 32.453 31.700 0.342 0.000 0.820 330 V N 4.546 124.702 119.914 0.403 0.000 2.638 330 V HA 0.379 4.501 4.120 0.003 0.000 0.306 330 V C -0.275 175.764 176.094 -0.091 0.000 1.052 330 V CA -0.627 61.777 62.300 0.173 0.000 0.885 330 V CB 2.046 33.925 31.823 0.094 0.000 0.999 330 V HN 0.391 nan 8.190 nan 0.000 0.424 331 L N 5.510 126.411 121.223 -0.537 0.000 2.298 331 L HA 0.868 5.210 4.340 0.003 0.000 0.284 331 L C -1.021 175.696 176.870 -0.255 0.000 1.013 331 L CA -0.420 54.051 54.840 -0.616 0.000 0.824 331 L CB 1.552 42.773 42.059 -1.396 0.000 1.221 331 L HN 0.558 nan 8.230 nan 0.000 0.418 332 V N 4.962 124.823 119.914 -0.088 0.000 2.841 332 V HA 1.027 5.149 4.120 0.003 0.000 0.310 332 V C -0.383 175.498 176.094 -0.356 0.000 1.090 332 V CA 0.450 62.673 62.300 -0.129 0.000 0.930 332 V CB 1.866 33.572 31.823 -0.195 0.000 1.014 332 V HN 0.891 nan 8.190 nan 0.000 0.425 333 G N 3.867 112.283 108.800 -0.639 0.000 2.488 333 G HA2 0.590 4.552 3.960 0.003 0.000 0.301 333 G HA3 0.590 4.552 3.960 0.003 0.000 0.301 333 G C -2.114 172.414 174.900 -0.620 0.000 1.339 333 G CA -0.366 43.974 45.100 -1.265 0.000 0.803 333 G HN 0.705 nan 8.290 nan 0.000 0.482 334 D N -0.699 119.469 120.400 -0.386 0.000 2.599 334 D HA 0.305 4.947 4.640 0.003 0.000 0.252 334 D C -1.326 175.070 176.300 0.160 0.000 1.232 334 D CA -0.467 53.543 54.000 0.017 0.000 0.819 334 D CB 2.615 43.422 40.800 0.011 0.000 1.401 334 D HN 0.339 nan 8.370 nan 0.000 0.429 335 D N -0.004 120.504 120.400 0.180 0.000 2.312 335 D HA 0.161 4.802 4.640 0.003 0.000 0.248 335 D C 1.023 177.395 176.300 0.120 0.000 1.086 335 D CA -0.157 53.948 54.000 0.174 0.000 0.948 335 D CB 1.657 42.560 40.800 0.171 0.000 1.162 335 D HN 0.185 nan 8.370 nan 0.000 0.446 336 T N 0.046 114.663 114.554 0.106 0.000 2.665 336 T HA -0.134 4.217 4.350 0.003 0.000 0.268 336 T C 0.472 175.211 174.700 0.064 0.000 1.035 336 T CA 1.096 63.244 62.100 0.079 0.000 1.151 336 T CB 0.007 68.914 68.868 0.064 0.000 0.862 336 T HN 0.404 nan 8.240 nan 0.000 0.438 337 D N 1.222 121.651 120.400 0.049 0.000 2.863 337 D HA 0.162 4.803 4.640 0.003 0.000 0.323 337 D C 0.727 177.036 176.300 0.015 0.000 1.286 337 D CA -0.196 53.819 54.000 0.025 0.000 0.921 337 D CB 0.714 41.514 40.800 -0.000 0.000 1.024 337 D HN 0.254 nan 8.370 nan 0.000 0.505 338 E N 0.721 120.915 120.200 -0.009 0.000 2.130 338 E HA -0.146 4.205 4.350 0.003 0.000 0.196 338 E C 1.975 178.456 176.600 -0.198 0.000 0.998 338 E CA 0.861 57.155 56.400 -0.176 0.000 0.806 338 E CB 0.049 29.554 29.700 -0.326 0.000 0.738 338 E HN 0.430 nan 8.360 nan 0.000 0.459 339 G N 0.896 109.710 108.800 0.023 0.000 2.712 339 G HA2 -0.154 3.808 3.960 0.003 0.000 0.212 339 G HA3 -0.154 3.808 3.960 0.003 0.000 0.212 339 G C 1.656 176.701 174.900 0.242 0.000 1.142 339 G CA 0.791 46.069 45.100 0.297 0.000 0.789 339 G HN 0.350 nan 8.290 nan 0.000 0.535 340 S N 0.839 116.583 115.700 0.074 0.000 2.382 340 S HA -0.142 4.330 4.470 0.003 0.000 0.228 340 S C 1.782 176.436 174.600 0.091 0.000 1.027 340 S CA 1.394 59.657 58.200 0.105 0.000 0.991 340 S CB -0.511 62.729 63.200 0.067 0.000 0.823 340 S HN 0.509 nan 8.310 nan 0.000 0.469 341 N N -0.335 118.215 118.700 -0.250 0.000 2.461 341 N HA 0.223 4.965 4.740 0.003 0.000 0.188 341 N C 0.038 175.146 175.510 -0.671 0.000 1.134 341 N CA 0.610 53.307 53.050 -0.589 0.000 0.878 341 N CB 0.070 37.968 38.487 -0.982 0.000 0.972 341 N HN 0.460 nan 8.380 nan 0.000 0.456 342 F N -0.371 119.719 119.950 0.233 0.000 2.831 342 F HA 0.413 4.941 4.527 0.002 0.000 0.334 342 F C 0.735 176.533 175.800 -0.003 0.000 1.071 342 F CA -0.744 57.388 58.000 0.221 0.000 1.172 342 F CB -0.018 39.332 39.000 0.583 0.000 1.054 342 F HN -0.185 nan 8.300 nan 0.000 0.572 343 A N 0.015 122.904 122.820 0.116 0.000 2.327 343 A HA 0.328 4.650 4.320 0.003 0.000 0.283 343 A C -0.834 176.472 177.584 -0.463 0.000 1.127 343 A CA -0.352 51.482 52.037 -0.339 0.000 0.810 343 A CB -0.171 18.800 19.000 -0.048 0.000 1.066 343 A HN 0.256 nan 8.150 nan 0.000 0.492 344 Y N 2.029 121.517 120.300 -1.354 0.000 2.712 344 Y HA -0.026 4.526 4.550 0.002 0.000 0.333 344 Y C 0.978 176.802 175.900 -0.126 0.000 1.225 344 Y CA 0.678 58.379 58.100 -0.664 0.000 1.499 344 Y CB 0.345 38.409 38.460 -0.659 0.000 1.288 344 Y HN 0.754 nan 8.280 nan 0.000 0.575 345 N N 4.867 123.154 118.700 -0.688 0.000 3.027 345 N HA 0.149 4.890 4.740 0.003 0.000 0.309 345 N C -0.983 174.343 175.510 -0.307 0.000 1.222 345 N CA 0.231 53.050 53.050 -0.384 0.000 1.187 345 N CB -0.702 37.481 38.487 -0.506 0.000 1.458 345 N HN 0.671 nan 8.380 nan 0.000 0.535 346 A N 0.891 123.778 122.820 0.112 0.000 2.440 346 A HA 0.245 4.567 4.320 0.003 0.000 0.251 346 A C 1.071 178.823 177.584 0.281 0.000 1.089 346 A CA -0.239 51.993 52.037 0.325 0.000 0.779 346 A CB 0.380 19.640 19.000 0.433 0.000 1.022 346 A HN 0.551 nan 8.150 nan 0.000 0.492 347 S N 0.132 115.964 115.700 0.220 0.000 2.524 347 S HA 0.224 4.695 4.470 0.003 0.000 0.215 347 S C 0.516 175.165 174.600 0.083 0.000 0.986 347 S CA 0.492 58.806 58.200 0.189 0.000 0.911 347 S CB -0.191 63.079 63.200 0.117 0.000 0.805 347 S HN 1.209 nan 8.310 nan 0.000 0.501 348 S N -1.022 114.543 115.700 -0.225 0.000 2.588 348 S HA 0.462 4.933 4.470 0.003 0.000 0.269 348 S C 0.557 174.573 174.600 -0.974 0.000 1.157 348 S CA -0.557 57.172 58.200 -0.784 0.000 0.824 348 S CB 1.163 64.196 63.200 -0.279 0.000 1.126 348 S HN -0.127 nan 8.310 nan 0.000 0.464 349 S N 0.763 115.841 115.700 -1.037 0.000 2.380 349 S HA -0.163 4.309 4.470 0.003 0.000 0.229 349 S C 2.162 176.708 174.600 -0.090 0.000 1.043 349 S CA 1.915 59.928 58.200 -0.312 0.000 1.038 349 S CB -0.992 62.147 63.200 -0.102 0.000 0.872 349 S HN 1.019 nan 8.310 nan 0.000 0.456 350 A N 1.345 124.106 122.820 -0.100 0.000 1.930 350 A HA -0.126 4.196 4.320 0.003 0.000 0.217 350 A C 1.809 179.407 177.584 0.023 0.000 1.175 350 A CA 1.652 53.680 52.037 -0.014 0.000 0.627 350 A CB -0.594 18.394 19.000 -0.020 0.000 0.815 350 A HN 0.365 nan 8.150 nan 0.000 0.443 351 D N -0.193 120.220 120.400 0.022 0.000 2.117 351 D HA -0.107 4.535 4.640 0.003 0.000 0.197 351 D C 2.065 178.470 176.300 0.175 0.000 0.987 351 D CA 1.395 55.444 54.000 0.083 0.000 0.829 351 D CB -0.365 40.583 40.800 0.247 0.000 0.961 351 D HN 0.213 nan 8.370 nan 0.000 0.460 352 V N 0.605 120.672 119.914 0.254 0.000 2.295 352 V HA -0.227 3.894 4.120 0.003 0.000 0.246 352 V C 2.455 178.844 176.094 0.492 0.000 1.049 352 V CA 1.793 64.359 62.300 0.443 0.000 1.024 352 V CB -0.591 31.495 31.823 0.438 0.000 0.648 352 V HN 0.141 nan 8.190 nan 0.000 0.447 353 S N -0.806 115.074 115.700 0.300 0.000 2.383 353 S HA -0.183 4.289 4.470 0.003 0.000 0.227 353 S C 2.112 176.846 174.600 0.224 0.000 1.026 353 S CA 1.412 59.769 58.200 0.260 0.000 0.981 353 S CB -0.353 62.936 63.200 0.149 0.000 0.818 353 S HN 0.501 nan 8.310 nan 0.000 0.472 354 R N 0.059 120.641 120.500 0.136 0.000 2.075 354 R HA -0.100 4.241 4.340 0.003 0.000 0.232 354 R C 2.133 178.468 176.300 0.060 0.000 1.126 354 R CA 1.300 57.431 56.100 0.052 0.000 0.963 354 R CB -0.441 29.832 30.300 -0.045 0.000 0.858 354 R HN 0.429 nan 8.270 nan 0.000 0.435 355 F N 0.757 120.652 119.950 -0.093 0.000 2.065 355 F HA -0.235 4.293 4.527 0.002 0.000 0.298 355 F C 1.659 177.449 175.800 -0.016 0.000 1.112 355 F CA 1.610 59.537 58.000 -0.121 0.000 1.212 355 F CB -0.758 38.194 39.000 -0.081 0.000 0.975 355 F HN -0.050 nan 8.300 nan 0.000 0.476 356 F N 0.579 120.482 119.950 -0.079 0.000 2.146 356 F HA -0.129 4.399 4.527 0.002 0.000 0.298 356 F C 2.486 178.326 175.800 0.066 0.000 1.096 356 F CA 1.838 59.815 58.000 -0.039 0.000 1.275 356 F CB -0.706 38.402 39.000 0.180 0.000 1.008 356 F HN -0.067 nan 8.300 nan 0.000 0.480 357 K N 0.784 121.323 120.400 0.232 0.000 2.063 357 K HA -0.189 4.132 4.320 0.003 0.000 0.208 357 K C 1.543 178.193 176.600 0.083 0.000 1.048 357 K CA 1.825 58.204 56.287 0.153 0.000 0.928 357 K CB -0.455 32.112 32.500 0.110 0.000 0.713 357 K HN 0.036 nan 8.250 nan 0.000 0.442 358 N N 0.640 119.355 118.700 0.026 0.000 2.453 358 N HA -0.081 4.661 4.740 0.003 0.000 0.183 358 N C 0.772 176.303 175.510 0.035 0.000 1.041 358 N CA 0.858 53.922 53.050 0.024 0.000 0.900 358 N CB -0.090 38.391 38.487 -0.010 0.000 0.961 358 N HN 0.340 nan 8.380 nan 0.000 0.443 359 N N -0.760 117.858 118.700 -0.137 0.000 2.322 359 N HA 0.035 4.777 4.740 0.003 0.000 0.181 359 N C -0.647 174.514 175.510 -0.581 0.000 1.088 359 N CA 0.333 53.185 53.050 -0.330 0.000 0.885 359 N CB 0.612 38.716 38.487 -0.638 0.000 1.013 359 N HN 0.245 nan 8.380 nan 0.000 0.472 360 Y N 0.227 120.517 120.300 -0.017 0.000 2.544 360 Y HA 0.315 4.867 4.550 0.002 0.000 0.347 360 Y C -1.960 173.926 175.900 -0.023 0.000 1.089 360 Y CA -1.485 56.596 58.100 -0.031 0.000 1.230 360 Y CB 1.490 39.988 38.460 0.063 0.000 1.101 360 Y HN -0.051 nan 8.280 nan 0.000 0.641 361 P HA -0.097 nan 4.420 nan 0.000 0.228 361 P C 0.454 177.765 177.300 0.018 0.000 1.151 361 P CA 1.239 64.351 63.100 0.019 0.000 0.770 361 P CB 0.520 32.204 31.700 -0.026 0.000 0.786 362 N N -0.360 118.351 118.700 0.018 0.000 2.412 362 N HA 0.058 4.799 4.740 0.003 0.000 0.184 362 N C 0.793 176.320 175.510 0.028 0.000 1.101 362 N CA 0.086 53.143 53.050 0.012 0.000 0.881 362 N CB -0.107 38.375 38.487 -0.008 0.000 0.969 362 N HN 0.272 nan 8.380 nan 0.000 0.459 363 L N 1.758 123.020 121.223 0.064 0.000 2.525 363 L HA -0.011 4.331 4.340 0.003 0.000 0.278 363 L C 1.163 178.058 176.870 0.041 0.000 1.218 363 L CA 0.122 54.995 54.840 0.056 0.000 0.878 363 L CB 0.254 42.379 42.059 0.110 0.000 1.127 363 L HN 0.127 nan 8.230 nan 0.000 0.492 364 T N -1.192 113.374 114.554 0.020 0.000 2.874 364 T HA 0.088 4.440 4.350 0.003 0.000 0.281 364 T C 1.174 175.891 174.700 0.027 0.000 0.994 364 T CA -0.224 61.887 62.100 0.018 0.000 1.015 364 T CB 1.656 70.526 68.868 0.004 0.000 1.028 364 T HN 0.605 nan 8.240 nan 0.000 0.523 365 S N 0.027 115.742 115.700 0.026 0.000 2.380 365 S HA -0.281 4.190 4.470 0.003 0.000 0.229 365 S C 1.971 176.587 174.600 0.025 0.000 1.043 365 S CA 2.131 60.348 58.200 0.028 0.000 1.038 365 S CB -0.752 62.461 63.200 0.021 0.000 0.872 365 S HN 0.854 nan 8.310 nan 0.000 0.456 366 Q N -0.213 119.597 119.800 0.017 0.000 2.079 366 Q HA -0.153 4.189 4.340 0.003 0.000 0.200 366 Q C 2.290 178.302 176.000 0.019 0.000 0.974 366 Q CA 1.544 57.355 55.803 0.014 0.000 0.840 366 Q CB -0.229 28.512 28.738 0.006 0.000 0.898 366 Q HN 0.711 nan 8.270 nan 0.000 0.430 367 Q N 0.207 120.015 119.800 0.014 0.000 2.079 367 Q HA -0.121 4.220 4.340 0.003 0.000 0.200 367 Q C 2.241 178.261 176.000 0.034 0.000 0.974 367 Q CA 1.418 57.229 55.803 0.013 0.000 0.840 367 Q CB -0.032 28.689 28.738 -0.028 0.000 0.898 367 Q HN 0.391 nan 8.270 nan 0.000 0.430 368 L N 0.566 121.813 121.223 0.040 0.000 2.042 368 L HA -0.242 4.099 4.340 0.003 0.000 0.210 368 L C 2.231 179.131 176.870 0.050 0.000 1.076 368 L CA 1.300 56.173 54.840 0.055 0.000 0.749 368 L CB -0.508 41.602 42.059 0.085 0.000 0.893 368 L HN 0.299 nan 8.230 nan 0.000 0.432 369 N N 0.179 118.903 118.700 0.040 0.000 2.120 369 N HA -0.220 4.522 4.740 0.003 0.000 0.188 369 N C 1.753 177.266 175.510 0.005 0.000 1.024 369 N CA 1.450 54.517 53.050 0.028 0.000 0.852 369 N CB 0.045 38.544 38.487 0.019 0.000 1.003 369 N HN 0.293 nan 8.380 nan 0.000 0.424 370 E N -0.229 119.976 120.200 0.009 0.000 2.077 370 E HA -0.132 4.220 4.350 0.003 0.000 0.193 370 E C 1.982 178.502 176.600 -0.134 0.000 0.989 370 E CA 1.071 57.450 56.400 -0.035 0.000 0.800 370 E CB -0.106 29.646 29.700 0.087 0.000 0.746 370 E HN 0.459 nan 8.360 nan 0.000 0.452 371 I N 1.598 122.175 120.570 0.012 0.000 2.208 371 I HA -0.311 3.861 4.170 0.003 0.000 0.245 371 I C 1.842 177.972 176.117 0.022 0.000 1.097 371 I CA 0.876 62.165 61.300 -0.019 0.000 1.363 371 I CB -0.269 37.684 38.000 -0.079 0.000 1.051 371 I HN 0.125 nan 8.210 nan 0.000 0.413 372 N N 0.442 119.168 118.700 0.043 0.000 2.309 372 N HA -0.164 4.578 4.740 0.003 0.000 0.182 372 N C 1.782 177.312 175.510 0.034 0.000 1.018 372 N CA 1.011 54.121 53.050 0.100 0.000 0.876 372 N CB -0.169 38.388 38.487 0.117 0.000 0.972 372 N HN 0.517 nan 8.380 nan 0.000 0.434 373 Q N -0.166 119.592 119.800 -0.070 0.000 2.137 373 Q HA 0.058 4.399 4.340 0.003 0.000 0.198 373 Q C 1.877 177.733 176.000 -0.240 0.000 0.960 373 Q CA 0.704 56.428 55.803 -0.131 0.000 0.847 373 Q CB 0.271 28.916 28.738 -0.155 0.000 0.915 373 Q HN 0.134 nan 8.270 nan 0.000 0.448 374 V N -0.485 119.188 119.914 -0.401 0.000 2.591 374 V HA -0.159 3.963 4.120 0.003 0.000 0.249 374 V C 0.243 175.962 176.094 -0.624 0.000 1.053 374 V CA 1.291 63.208 62.300 -0.638 0.000 1.068 374 V CB -0.165 30.997 31.823 -1.102 0.000 0.689 374 V HN 0.284 nan 8.190 nan 0.000 0.462 375 Y N 0.106 120.345 120.300 -0.102 0.000 2.748 375 Y HA 0.464 5.016 4.550 0.002 0.000 0.359 375 Y C -2.476 173.454 175.900 0.049 0.000 1.030 375 Y CA -2.833 55.279 58.100 0.021 0.000 1.169 375 Y CB 0.283 38.823 38.460 0.134 0.000 1.127 375 Y HN 0.236 nan 8.280 nan 0.000 0.644 376 P HA 0.149 nan 4.420 nan 0.000 0.275 376 P C 1.073 178.396 177.300 0.038 0.000 1.266 376 P CA -0.503 62.647 63.100 0.083 0.000 0.793 376 P CB 0.975 32.682 31.700 0.012 0.000 1.074 377 R N 1.067 121.513 120.500 -0.089 0.000 2.224 377 R HA -0.216 4.125 4.340 0.003 0.000 0.251 377 R C 0.852 177.011 176.300 -0.236 0.000 1.123 377 R CA 2.342 58.174 56.100 -0.447 0.000 0.944 377 R CB -1.295 28.579 30.300 -0.710 0.000 0.910 377 R HN 0.819 nan 8.270 nan 0.000 0.440 378 G N -0.346 108.371 108.800 -0.139 0.000 2.829 378 G HA2 -0.233 3.729 3.960 0.003 0.000 0.628 378 G HA3 -0.233 3.729 3.960 0.003 0.000 0.628 378 G C -1.245 173.613 174.900 -0.070 0.000 1.412 378 G CA -0.217 44.840 45.100 -0.072 0.000 0.864 378 G HN 0.348 nan 8.290 nan 0.000 0.544 379 K N -0.566 119.813 120.400 -0.035 0.000 2.527 379 K HA 0.131 4.453 4.320 0.003 0.000 0.278 379 K C 0.778 177.375 176.600 -0.005 0.000 0.981 379 K CA -0.445 55.830 56.287 -0.020 0.000 1.009 379 K CB 0.632 33.127 32.500 -0.008 0.000 0.895 379 K HN 0.647 nan 8.250 nan 0.000 0.493 380 L N 3.646 124.873 121.223 0.007 0.000 2.455 380 L HA 0.097 4.438 4.340 0.003 0.000 0.272 380 L C -0.378 176.528 176.870 0.060 0.000 1.174 380 L CA 0.407 55.271 54.840 0.039 0.000 0.869 380 L CB 0.150 42.229 42.059 0.033 0.000 1.130 380 L HN 0.405 nan 8.230 nan 0.000 0.474 381 L N 6.982 128.273 121.223 0.112 0.000 2.322 381 L HA 0.496 4.838 4.340 0.003 0.000 0.279 381 L C -1.947 175.000 176.870 0.129 0.000 1.036 381 L CA -1.997 52.914 54.840 0.119 0.000 0.807 381 L CB 1.195 43.358 42.059 0.173 0.000 1.226 381 L HN 0.537 nan 8.230 nan 0.000 0.433 382 P HA 0.032 nan 4.420 nan 0.000 0.264 382 P C -0.248 177.135 177.300 0.139 0.000 1.183 382 P CA 0.189 63.336 63.100 0.080 0.000 0.763 382 P CB 0.357 32.086 31.700 0.048 0.000 0.807 383 R N -0.846 119.673 120.500 0.031 0.000 3.963 383 R HA -0.169 4.172 4.340 0.003 0.000 0.394 383 R C 0.208 176.312 176.300 -0.327 0.000 1.131 383 R CA 0.915 56.945 56.100 -0.115 0.000 1.059 383 R CB -2.089 28.118 30.300 -0.155 0.000 1.614 383 R HN 0.726 nan 8.270 nan 0.000 0.546 384 H N -1.289 117.678 119.070 -0.172 0.000 2.894 384 H HA 0.634 5.191 4.556 0.002 0.000 0.368 384 H C 0.064 175.350 175.328 -0.070 0.000 1.181 384 H CA -0.372 55.530 56.048 -0.243 0.000 1.146 384 H CB 1.864 31.321 29.762 -0.508 0.000 1.839 384 H HN 0.184 nan 8.280 nan 0.000 0.557 385 A N 0.469 123.335 122.820 0.076 0.000 2.327 385 A HA 0.432 4.753 4.320 0.003 0.000 0.255 385 A C 1.373 179.080 177.584 0.205 0.000 1.099 385 A CA 0.334 52.437 52.037 0.111 0.000 0.801 385 A CB -0.060 18.988 19.000 0.080 0.000 1.062 385 A HN 0.863 nan 8.150 nan 0.000 0.496 386 A N -0.837 122.105 122.820 0.203 0.000 2.024 386 A HA -0.088 4.234 4.320 0.003 0.000 0.220 386 A C 1.327 178.988 177.584 0.127 0.000 1.164 386 A CA 1.828 53.965 52.037 0.168 0.000 0.643 386 A CB -0.583 18.523 19.000 0.178 0.000 0.806 386 A HN 0.792 nan 8.150 nan 0.000 0.451 387 Y N -2.419 117.975 120.300 0.157 0.000 2.485 387 Y HA 0.210 4.761 4.550 0.003 0.000 0.260 387 Y C 1.365 177.377 175.900 0.187 0.000 1.173 387 Y CA -0.821 57.377 58.100 0.164 0.000 1.252 387 Y CB -0.203 38.360 38.460 0.172 0.000 1.123 387 Y HN 0.436 nan 8.280 nan 0.000 0.524 388 F N 0.239 120.284 119.950 0.159 0.000 2.186 388 F HA -0.009 4.520 4.527 0.002 0.000 0.299 388 F C 2.135 177.966 175.800 0.052 0.000 1.090 388 F CA 1.670 59.720 58.000 0.082 0.000 1.307 388 F CB -0.625 38.400 39.000 0.043 0.000 1.019 388 F HN 0.035 nan 8.300 nan 0.000 0.489 389 G N 0.151 108.844 108.800 -0.179 0.000 2.476 389 G HA2 -0.298 3.663 3.960 0.003 0.000 0.218 389 G HA3 -0.298 3.663 3.960 0.003 0.000 0.218 389 G C 1.853 176.678 174.900 -0.126 0.000 1.164 389 G CA 1.116 46.071 45.100 -0.241 0.000 0.768 389 G HN 0.640 nan 8.290 nan 0.000 0.560 390 A N 0.403 123.237 122.820 0.024 0.000 1.858 390 A HA -0.019 4.302 4.320 0.003 0.000 0.216 390 A C 2.647 180.350 177.584 0.198 0.000 1.190 390 A CA 2.354 54.494 52.037 0.172 0.000 0.617 390 A CB -1.052 18.103 19.000 0.258 0.000 0.827 390 A HN 0.425 nan 8.150 nan 0.000 0.443 391 S N -0.673 115.148 115.700 0.202 0.000 2.359 391 S HA -0.204 4.268 4.470 0.003 0.000 0.223 391 S C 2.399 177.107 174.600 0.179 0.000 1.039 391 S CA 2.240 60.608 58.200 0.280 0.000 1.042 391 S CB -0.492 62.811 63.200 0.172 0.000 0.915 391 S HN 0.672 nan 8.310 nan 0.000 0.439 392 S N 0.407 116.008 115.700 -0.165 0.000 2.355 392 S HA 0.007 4.478 4.470 0.003 0.000 0.222 392 S C 2.085 176.695 174.600 0.016 0.000 1.031 392 S CA 1.441 59.532 58.200 -0.183 0.000 0.993 392 S CB -0.762 62.004 63.200 -0.724 0.000 0.859 392 S HN 0.661 nan 8.310 nan 0.000 0.453 393 A N 1.473 124.290 122.820 -0.006 0.000 1.877 393 A HA 0.175 4.497 4.320 0.003 0.000 0.216 393 A C 2.487 180.020 177.584 -0.085 0.000 1.186 393 A CA 1.960 54.041 52.037 0.075 0.000 0.620 393 A CB -1.466 17.677 19.000 0.238 0.000 0.822 393 A HN 0.767 nan 8.150 nan 0.000 0.443 394 A N -1.697 120.933 122.820 -0.317 0.000 1.877 394 A HA -0.123 4.199 4.320 0.003 0.000 0.216 394 A C 2.199 179.879 177.584 0.160 0.000 1.186 394 A CA 1.758 53.489 52.037 -0.512 0.000 0.620 394 A CB -0.822 18.104 19.000 -0.122 0.000 0.822 394 A HN 0.690 nan 8.150 nan 0.000 0.443 395 Y N 0.717 121.217 120.300 0.334 0.000 2.220 395 Y HA 0.036 4.588 4.550 0.003 0.000 0.291 395 Y C 2.500 178.568 175.900 0.281 0.000 1.129 395 Y CA 1.110 59.409 58.100 0.331 0.000 1.161 395 Y CB -0.784 37.947 38.460 0.452 0.000 0.997 395 Y HN 0.242 nan 8.280 nan 0.000 0.522 396 G N -0.047 108.913 108.800 0.267 0.000 2.476 396 G HA2 -0.306 3.656 3.960 0.003 0.000 0.218 396 G HA3 -0.306 3.656 3.960 0.003 0.000 0.218 396 G C 1.354 176.338 174.900 0.141 0.000 1.164 396 G CA 1.337 46.579 45.100 0.235 0.000 0.768 396 G HN 0.363 nan 8.290 nan 0.000 0.560 397 D N 0.881 121.293 120.400 0.020 0.000 2.097 397 D HA -0.012 4.630 4.640 0.003 0.000 0.195 397 D C 2.828 178.870 176.300 -0.430 0.000 0.989 397 D CA 1.311 55.283 54.000 -0.046 0.000 0.827 397 D CB -0.538 40.406 40.800 0.240 0.000 0.966 397 D HN 0.309 nan 8.370 nan 0.000 0.456 398 A N -0.203 122.076 122.820 -0.902 0.000 1.930 398 A HA -0.100 4.221 4.320 0.003 0.000 0.217 398 A C 2.233 179.435 177.584 -0.635 0.000 1.175 398 A CA 1.882 53.166 52.037 -1.255 0.000 0.627 398 A CB -0.382 17.696 19.000 -1.536 0.000 0.815 398 A HN 0.238 nan 8.150 nan 0.000 0.443 399 T N -2.242 111.954 114.554 -0.597 0.000 2.990 399 T HA 0.299 4.650 4.350 0.003 0.000 0.249 399 T C 0.946 175.131 174.700 -0.859 0.000 1.039 399 T CA 0.709 62.348 62.100 -0.767 0.000 1.036 399 T CB -0.071 68.078 68.868 -1.198 0.000 0.994 399 T HN 0.397 nan 8.240 nan 0.000 0.489 400 F N 0.534 120.296 119.950 -0.314 0.000 2.362 400 F HA 0.247 4.775 4.527 0.002 0.000 0.264 400 F C 2.584 178.217 175.800 -0.278 0.000 0.905 400 F CA 0.158 58.020 58.000 -0.230 0.000 1.142 400 F CB -0.651 38.313 39.000 -0.060 0.000 1.250 400 F HN -0.153 nan 8.300 nan 0.000 0.771 401 T N -0.078 114.508 114.554 0.053 0.000 2.770 401 T HA -0.132 4.219 4.350 0.003 0.000 0.263 401 T C 2.010 176.653 174.700 -0.096 0.000 1.039 401 T CA 1.662 63.755 62.100 -0.011 0.000 1.142 401 T CB -0.705 68.204 68.868 0.068 0.000 0.868 401 T HN 0.273 nan 8.240 nan 0.000 0.435 402 c N 1.581 120.133 118.600 -0.080 0.000 2.429 402 c HA -0.014 4.558 4.570 0.003 0.000 0.277 402 c C 0.019 173.960 174.090 -0.248 0.000 1.262 402 c CA 0.517 56.824 56.329 -0.037 0.000 1.733 402 c CB -1.567 41.016 42.510 0.122 0.000 2.010 402 c HN 0.449 nan 8.230 nan 0.000 0.483 403 P HA -0.086 nan 4.420 nan 0.000 0.215 403 P C 1.627 178.273 177.300 -1.091 0.000 1.157 403 P CA 2.393 64.652 63.100 -1.401 0.000 0.874 403 P CB -0.373 30.127 31.700 -2.000 0.000 0.790 404 G N -0.430 107.950 108.800 -0.700 0.000 2.446 404 G HA2 -0.282 3.680 3.960 0.003 0.000 0.217 404 G HA3 -0.282 3.680 3.960 0.003 0.000 0.217 404 G C 1.526 176.153 174.900 -0.455 0.000 1.168 404 G CA 0.865 45.664 45.100 -0.502 0.000 0.771 404 G HN 0.213 nan 8.290 nan 0.000 0.551 405 N N -0.028 118.471 118.700 -0.335 0.000 2.149 405 N HA -0.101 4.641 4.740 0.003 0.000 0.188 405 N C 1.835 177.104 175.510 -0.401 0.000 1.019 405 N CA 0.959 53.810 53.050 -0.332 0.000 0.857 405 N CB -0.619 37.858 38.487 -0.016 0.000 0.997 405 N HN 0.517 nan 8.380 nan 0.000 0.426 406 H N 0.412 119.237 119.070 -0.408 0.000 2.357 406 H HA 0.009 4.567 4.556 0.003 0.000 0.301 406 H C 1.718 176.773 175.328 -0.455 0.000 1.082 406 H CA 1.105 56.950 56.048 -0.337 0.000 1.342 406 H CB 0.205 29.762 29.762 -0.341 0.000 1.389 406 H HN -0.061 nan 8.280 nan 0.000 0.511 407 V N 1.329 120.877 119.914 -0.611 0.000 2.287 407 V HA -0.299 3.823 4.120 0.003 0.000 0.248 407 V C 3.008 178.786 176.094 -0.528 0.000 1.053 407 V CA 1.677 63.567 62.300 -0.683 0.000 1.027 407 V CB -1.172 30.268 31.823 -0.638 0.000 0.646 407 V HN 0.555 nan 8.190 nan 0.000 0.447 408 A N 0.787 123.220 122.820 -0.646 0.000 1.858 408 A HA -0.238 4.084 4.320 0.003 0.000 0.216 408 A C 2.579 179.605 177.584 -0.929 0.000 1.190 408 A CA 2.647 54.184 52.037 -0.833 0.000 0.617 408 A CB -0.953 17.258 19.000 -1.314 0.000 0.827 408 A HN 0.695 nan 8.150 nan 0.000 0.443 409 S N -0.500 114.608 115.700 -0.987 0.000 2.383 409 S HA -0.114 4.357 4.470 0.003 0.000 0.227 409 S C 2.033 176.509 174.600 -0.207 0.000 1.026 409 S CA 1.640 59.546 58.200 -0.490 0.000 0.981 409 S CB -0.651 62.481 63.200 -0.114 0.000 0.818 409 S HN 0.443 nan 8.310 nan 0.000 0.472 410 S N 2.518 118.080 115.700 -0.230 0.000 2.355 410 S HA 0.141 4.613 4.470 0.003 0.000 0.222 410 S C 2.372 177.197 174.600 0.375 0.000 1.031 410 S CA 1.040 59.277 58.200 0.062 0.000 0.993 410 S CB -0.878 62.356 63.200 0.057 0.000 0.859 410 S HN 0.791 nan 8.310 nan 0.000 0.453 411 A N 1.421 124.390 122.820 0.247 0.000 1.969 411 A HA 0.189 4.510 4.320 0.003 0.000 0.218 411 A C 2.268 180.009 177.584 0.262 0.000 1.169 411 A CA 1.534 53.838 52.037 0.445 0.000 0.635 411 A CB -0.880 18.270 19.000 0.250 0.000 0.810 411 A HN 0.506 nan 8.150 nan 0.000 0.445 412 A N -0.470 122.383 122.820 0.054 0.000 2.066 412 A HA -0.073 4.248 4.320 0.003 0.000 0.218 412 A C 2.131 179.709 177.584 -0.009 0.000 1.157 412 A CA 1.059 53.112 52.037 0.026 0.000 0.670 412 A CB -0.432 18.612 19.000 0.072 0.000 0.804 412 A HN 0.524 nan 8.150 nan 0.000 0.453 413 R N -1.689 118.750 120.500 -0.102 0.000 2.105 413 R HA -0.188 4.154 4.340 0.003 0.000 0.239 413 R C 1.464 177.470 176.300 -0.491 0.000 1.135 413 R CA 2.039 57.915 56.100 -0.374 0.000 0.967 413 R CB -0.322 29.564 30.300 -0.690 0.000 0.861 413 R HN 0.774 nan 8.270 nan 0.000 0.442 414 Y N -1.198 119.128 120.300 0.044 0.000 2.522 414 Y HA 0.205 4.757 4.550 0.002 0.000 0.277 414 Y C 0.975 176.877 175.900 0.004 0.000 1.104 414 Y CA 0.161 58.262 58.100 0.002 0.000 1.260 414 Y CB 0.607 39.038 38.460 -0.049 0.000 1.151 414 Y HN -0.151 nan 8.280 nan 0.000 0.539 415 L N 2.418 123.725 121.223 0.140 0.000 2.594 415 L HA 0.287 4.629 4.340 0.003 0.000 0.245 415 L C -1.907 174.953 176.870 -0.016 0.000 1.460 415 L CA -1.227 53.650 54.840 0.063 0.000 0.865 415 L CB 1.351 43.462 42.059 0.087 0.000 1.131 415 L HN -0.085 nan 8.230 nan 0.000 0.506 416 P HA -0.127 nan 4.420 nan 0.000 0.220 416 P C 0.571 177.782 177.300 -0.148 0.000 1.148 416 P CA 1.194 64.259 63.100 -0.058 0.000 0.803 416 P CB 0.285 31.965 31.700 -0.033 0.000 0.782 417 N N -0.688 117.926 118.700 -0.144 0.000 2.398 417 N HA 0.026 4.767 4.740 0.003 0.000 0.188 417 N C 0.439 175.706 175.510 -0.405 0.000 1.122 417 N CA 0.498 53.427 53.050 -0.201 0.000 0.866 417 N CB 0.053 38.496 38.487 -0.074 0.000 0.970 417 N HN 0.065 nan 8.380 nan 0.000 0.462 418 S N 0.054 115.483 115.700 -0.451 0.000 2.977 418 S HA 0.259 4.730 4.470 0.003 0.000 0.250 418 S C -0.375 173.915 174.600 -0.516 0.000 1.005 418 S CA -0.375 57.502 58.200 -0.539 0.000 1.081 418 S CB 1.128 64.332 63.200 0.006 0.000 1.018 418 S HN -0.154 nan 8.310 nan 0.000 0.539 419 V N 2.367 121.827 119.914 -0.757 0.000 2.443 419 V HA 0.505 4.627 4.120 0.003 0.000 0.293 419 V C -1.075 174.733 176.094 -0.477 0.000 1.021 419 V CA -0.488 61.593 62.300 -0.364 0.000 0.848 419 V CB 1.417 33.143 31.823 -0.162 0.000 0.998 419 V HN 0.516 nan 8.190 nan 0.000 0.424 420 W N 3.209 124.417 121.300 -0.154 0.000 2.656 420 W HA 0.504 5.166 4.660 0.002 0.000 0.327 420 W C -0.339 176.217 176.519 0.061 0.000 1.041 420 W CA -0.704 56.519 57.345 -0.204 0.000 1.229 420 W CB 2.343 31.226 29.460 -0.961 0.000 1.397 420 W HN 0.563 nan 8.180 nan 0.000 0.479 421 N N 2.322 121.394 118.700 0.619 0.000 2.319 421 N HA 0.514 5.256 4.740 0.003 0.000 0.305 421 N C -1.348 174.534 175.510 0.620 0.000 1.103 421 N CA -0.333 52.998 53.050 0.470 0.000 0.815 421 N CB 1.688 40.459 38.487 0.473 0.000 1.288 421 N HN 0.281 nan 8.380 nan 0.000 0.493 422 Y N -0.443 120.069 120.300 0.354 0.000 2.605 422 Y HA 0.627 5.179 4.550 0.003 0.000 0.343 422 Y C -0.934 175.024 175.900 0.095 0.000 1.036 422 Y CA -1.260 56.905 58.100 0.108 0.000 1.065 422 Y CB 1.222 39.654 38.460 -0.047 0.000 1.288 422 Y HN 0.430 nan 8.280 nan 0.000 0.481 423 R N 2.091 122.740 120.500 0.247 0.000 2.476 423 R HA 0.662 5.004 4.340 0.003 0.000 0.305 423 R C -2.021 174.448 176.300 0.282 0.000 0.965 423 R CA -0.791 55.437 56.100 0.213 0.000 0.867 423 R CB 1.782 32.151 30.300 0.115 0.000 1.176 423 R HN 0.787 nan 8.270 nan 0.000 0.447 424 V N 4.504 124.627 119.914 0.348 0.000 2.488 424 V HA 0.113 4.235 4.120 0.003 0.000 0.277 424 V C 0.207 176.401 176.094 0.167 0.000 1.046 424 V CA -0.085 62.358 62.300 0.237 0.000 0.986 424 V CB 1.112 33.093 31.823 0.263 0.000 0.989 424 V HN 0.721 nan 8.190 nan 0.000 0.475 425 N N 4.600 123.373 118.700 0.123 0.000 2.610 425 N HA 0.350 5.092 4.740 0.003 0.000 0.307 425 N C -0.522 175.043 175.510 0.091 0.000 1.813 425 N CA -0.283 52.823 53.050 0.093 0.000 0.901 425 N CB 0.214 38.741 38.487 0.066 0.000 1.354 425 N HN 0.629 nan 8.380 nan 0.000 0.491 426 I N 1.517 122.169 120.570 0.136 0.000 2.436 426 I HA 0.170 4.341 4.170 0.003 0.000 0.289 426 I C 0.004 176.181 176.117 0.099 0.000 1.083 426 I CA -0.207 61.184 61.300 0.151 0.000 1.372 426 I CB 0.521 38.676 38.000 0.258 0.000 1.408 426 I HN 0.062 nan 8.210 nan 0.000 0.516 427 I N 6.283 126.893 120.570 0.067 0.000 2.304 427 I HA 0.215 4.387 4.170 0.003 0.000 0.291 427 I C 0.008 176.165 176.117 0.066 0.000 1.018 427 I CA -0.036 61.277 61.300 0.023 0.000 1.260 427 I CB 0.998 39.014 38.000 0.027 0.000 1.390 427 I HN 0.577 nan 8.210 nan 0.000 0.475 428 D N 5.985 126.354 120.400 -0.051 0.000 2.408 428 D HA 0.193 4.834 4.640 0.003 0.000 0.243 428 D C 0.754 177.057 176.300 0.005 0.000 1.075 428 D CA -0.311 53.691 54.000 0.003 0.000 0.832 428 D CB 1.747 42.416 40.800 -0.218 0.000 1.162 428 D HN 0.507 nan 8.370 nan 0.000 0.515 429 E N 1.231 121.508 120.200 0.129 0.000 2.130 429 E HA -0.225 4.126 4.350 0.003 0.000 0.196 429 E C 1.844 178.445 176.600 0.003 0.000 0.998 429 E CA 1.626 58.048 56.400 0.037 0.000 0.806 429 E CB 0.137 29.857 29.700 0.033 0.000 0.738 429 E HN 0.542 nan 8.360 nan 0.000 0.459 430 S N 0.783 116.489 115.700 0.011 0.000 2.406 430 S HA -0.097 4.374 4.470 0.003 0.000 0.228 430 S C 1.710 176.277 174.600 -0.055 0.000 1.020 430 S CA 0.765 58.957 58.200 -0.013 0.000 0.965 430 S CB -0.119 63.086 63.200 0.008 0.000 0.798 430 S HN 0.115 nan 8.310 nan 0.000 0.488 431 N N 2.230 120.856 118.700 -0.123 0.000 2.069 431 N HA -0.010 4.731 4.740 0.003 0.000 0.191 431 N C 1.670 177.119 175.510 -0.102 0.000 1.031 431 N CA 1.518 54.464 53.050 -0.173 0.000 0.852 431 N CB -0.517 37.751 38.487 -0.365 0.000 1.018 431 N HN 0.371 nan 8.380 nan 0.000 0.423 432 I N 1.130 121.649 120.570 -0.085 0.000 2.252 432 I HA -0.115 4.057 4.170 0.003 0.000 0.245 432 I C 2.180 178.283 176.117 -0.024 0.000 1.102 432 I CA 0.643 61.913 61.300 -0.050 0.000 1.385 432 I CB -1.587 36.387 38.000 -0.043 0.000 1.064 432 I HN 0.010 nan 8.210 nan 0.000 0.414 433 A N 0.685 123.491 122.820 -0.023 0.000 2.067 433 A HA -0.015 4.306 4.320 0.003 0.000 0.219 433 A C 2.341 179.923 177.584 -0.003 0.000 1.158 433 A CA 1.508 53.538 52.037 -0.012 0.000 0.661 433 A CB -1.114 17.878 19.000 -0.014 0.000 0.801 433 A HN 0.453 nan 8.150 nan 0.000 0.452 434 G N -1.808 106.988 108.800 -0.005 0.000 2.813 434 G HA2 0.338 4.300 3.960 0.003 0.000 0.209 434 G HA3 0.338 4.300 3.960 0.003 0.000 0.209 434 G C 1.172 176.123 174.900 0.085 0.000 1.150 434 G CA 0.492 45.602 45.100 0.016 0.000 0.785 434 G HN 1.586 nan 8.290 nan 0.000 0.535 435 G N 0.588 109.420 108.800 0.054 0.000 2.143 435 G HA2 -0.314 3.647 3.960 0.003 0.000 0.248 435 G HA3 -0.314 3.647 3.960 0.003 0.000 0.248 435 G C 1.002 175.903 174.900 0.002 0.000 0.991 435 G CA 0.568 45.696 45.100 0.045 0.000 0.689 435 G HN 1.179 nan 8.290 nan 0.000 0.522 436 I N -2.716 117.855 120.570 0.002 0.000 4.018 436 I HA 0.542 4.714 4.170 0.003 0.000 0.337 436 I C 1.561 177.658 176.117 -0.035 0.000 1.327 436 I CA 0.422 61.724 61.300 0.003 0.000 1.100 436 I CB 0.062 38.055 38.000 -0.012 0.000 1.025 436 I HN 1.065 nan 8.210 nan 0.000 0.396 437 G N 2.258 111.028 108.800 -0.049 0.000 2.591 437 G HA2 -0.274 3.687 3.960 0.003 0.000 0.298 437 G HA3 -0.274 3.687 3.960 0.003 0.000 0.298 437 G C -0.047 174.791 174.900 -0.102 0.000 1.195 437 G CA 0.196 45.263 45.100 -0.056 0.000 0.989 437 G HN 0.298 nan 8.290 nan 0.000 0.551 438 V N 4.405 124.284 119.914 -0.060 0.000 2.277 438 V HA 0.473 4.594 4.120 0.003 0.000 0.269 438 V C -1.417 174.680 176.094 0.004 0.000 1.036 438 V CA -0.535 61.732 62.300 -0.055 0.000 0.821 438 V CB 1.098 32.937 31.823 0.026 0.000 1.052 438 V HN 0.663 nan 8.190 nan 0.000 0.462 439 P HA 0.166 nan 4.420 nan 0.000 0.278 439 P C -0.309 177.099 177.300 0.179 0.000 1.266 439 P CA -0.549 62.584 63.100 0.055 0.000 0.807 439 P CB 0.623 32.327 31.700 0.007 0.000 1.094 440 H N 1.248 120.364 119.070 0.078 0.000 3.157 440 H HA 0.026 4.583 4.556 0.003 0.000 0.299 440 H C 0.708 176.172 175.328 0.227 0.000 0.961 440 H CA 2.159 58.282 56.048 0.125 0.000 1.428 440 H CB -0.777 29.114 29.762 0.215 0.000 1.459 440 H HN 0.703 nan 8.280 nan 0.000 0.566 441 T N 1.083 115.568 114.554 -0.114 0.000 4.543 441 T HA -0.325 4.027 4.350 0.003 0.000 0.313 441 T C 1.052 175.840 174.700 0.147 0.000 1.051 441 T CA 1.190 63.277 62.100 -0.022 0.000 2.160 441 T CB -2.617 66.172 68.868 -0.131 0.000 1.904 441 T HN 0.529 nan 8.240 nan 0.000 0.924 442 F N 2.934 122.932 119.950 0.079 0.000 2.250 442 F HA -0.011 4.518 4.527 0.003 0.000 0.301 442 F C 2.135 178.037 175.800 0.171 0.000 1.077 442 F CA 1.746 59.821 58.000 0.124 0.000 1.348 442 F CB -0.058 39.007 39.000 0.108 0.000 1.040 442 F HN 0.613 nan 8.300 nan 0.000 0.509 443 E N 0.502 120.745 120.200 0.072 0.000 2.516 443 E HA -0.159 4.193 4.350 0.003 0.000 0.199 443 E C 2.090 178.550 176.600 -0.232 0.000 1.069 443 E CA 0.541 56.904 56.400 -0.061 0.000 0.876 443 E CB -1.027 28.654 29.700 -0.032 0.000 0.843 443 E HN 0.493 nan 8.360 nan 0.000 0.530 444 L N 0.797 121.925 121.223 -0.158 0.000 2.013 444 L HA -0.165 4.176 4.340 0.003 0.000 0.212 444 L C -0.404 176.282 176.870 -0.306 0.000 1.073 444 L CA 1.952 56.725 54.840 -0.111 0.000 0.753 444 L CB -1.424 40.679 42.059 0.074 0.000 0.890 444 L HN 0.196 nan 8.230 nan 0.000 0.432 445 P HA -0.096 nan 4.420 nan 0.000 0.223 445 P C 1.184 178.026 177.300 -0.763 0.000 1.151 445 P CA 1.347 64.017 63.100 -0.717 0.000 0.787 445 P CB 0.008 31.096 31.700 -1.021 0.000 0.788 446 A N -0.818 121.542 122.820 -0.767 0.000 2.014 446 A HA -0.087 4.234 4.320 0.003 0.000 0.218 446 A C 2.090 179.399 177.584 -0.459 0.000 1.163 446 A CA 1.061 52.794 52.037 -0.506 0.000 0.652 446 A CB -1.342 17.482 19.000 -0.294 0.000 0.808 446 A HN 0.126 nan 8.150 nan 0.000 0.449 447 I N -2.422 117.799 120.570 -0.582 0.000 2.277 447 I HA -0.098 4.073 4.170 0.003 0.000 0.243 447 I C 1.749 177.422 176.117 -0.740 0.000 1.094 447 I CA 1.203 62.028 61.300 -0.793 0.000 1.393 447 I CB -0.154 37.174 38.000 -1.120 0.000 1.078 447 I HN 0.307 nan 8.210 nan 0.000 0.417 448 F N 0.530 120.236 119.950 -0.406 0.000 2.731 448 F HA 0.399 4.927 4.527 0.002 0.000 0.298 448 F C 1.079 176.609 175.800 -0.451 0.000 1.106 448 F CA 0.234 57.937 58.000 -0.495 0.000 1.329 448 F CB 0.479 39.105 39.000 -0.624 0.000 1.100 448 F HN 0.084 nan 8.300 nan 0.000 0.592 449 G N 0.927 109.555 108.800 -0.287 0.000 2.784 449 G HA2 0.183 4.144 3.960 0.003 0.000 0.686 449 G HA3 0.183 4.144 3.960 0.003 0.000 0.686 449 G C -0.485 174.229 174.900 -0.310 0.000 1.156 449 G CA -1.082 43.852 45.100 -0.276 0.000 0.757 449 G HN 0.455 nan 8.290 nan 0.000 0.642 450 A N 0.641 123.286 122.820 -0.290 0.000 2.546 450 A HA 0.685 5.006 4.320 0.003 0.000 0.243 450 A C 2.022 179.480 177.584 -0.209 0.000 1.063 450 A CA 2.358 54.237 52.037 -0.263 0.000 0.757 450 A CB 0.047 18.940 19.000 -0.178 0.000 0.991 450 A HN 2.992 nan 8.150 nan 0.000 0.503 451 G N 1.517 110.191 108.800 -0.211 0.000 2.258 451 G HA2 -0.286 3.676 3.960 0.003 0.000 0.233 451 G HA3 -0.286 3.676 3.960 0.003 0.000 0.233 451 G C 1.332 176.098 174.900 -0.223 0.000 1.006 451 G CA 0.769 45.764 45.100 -0.176 0.000 0.620 451 G HN 1.125 nan 8.290 nan 0.000 0.511 452 S N 0.394 115.915 115.700 -0.297 0.000 2.453 452 S HA 0.086 4.557 4.470 0.003 0.000 0.231 452 S C 2.071 176.327 174.600 -0.574 0.000 1.005 452 S CA 2.042 60.015 58.200 -0.378 0.000 0.949 452 S CB -0.081 62.881 63.200 -0.397 0.000 0.774 452 S HN 1.338 nan 8.310 nan 0.000 0.510 453 T N -1.180 112.982 114.554 -0.653 0.000 3.174 453 T HA 0.575 4.926 4.350 0.003 0.000 0.269 453 T C 0.596 175.022 174.700 -0.457 0.000 1.017 453 T CA 0.154 61.618 62.100 -1.060 0.000 0.899 453 T CB 0.378 68.598 68.868 -1.081 0.000 1.077 453 T HN 0.484 nan 8.240 nan 0.000 0.552 454 G N 0.623 109.268 108.800 -0.259 0.000 2.392 454 G HA2 0.130 4.092 3.960 0.003 0.000 0.677 454 G HA3 0.130 4.092 3.960 0.003 0.000 0.677 454 G C -0.643 174.195 174.900 -0.104 0.000 1.334 454 G CA -0.771 44.260 45.100 -0.115 0.000 0.961 454 G HN 0.302 nan 8.290 nan 0.000 0.616 455 T N 1.317 115.837 114.554 -0.057 0.000 2.888 455 T HA 0.439 4.790 4.350 0.003 0.000 0.301 455 T C 1.038 175.714 174.700 -0.039 0.000 1.001 455 T CA 0.242 62.315 62.100 -0.046 0.000 1.147 455 T CB 0.291 69.145 68.868 -0.024 0.000 0.931 455 T HN 0.533 nan 8.240 nan 0.000 0.541 456 L N 2.959 124.157 121.223 -0.042 0.000 2.375 456 L HA 0.357 4.699 4.340 0.003 0.000 0.271 456 L C 1.211 178.079 176.870 -0.003 0.000 1.107 456 L CA -0.927 53.902 54.840 -0.019 0.000 0.806 456 L CB 0.910 42.955 42.059 -0.023 0.000 1.146 456 L HN 0.731 nan 8.230 nan 0.000 0.447 457 S N 0.469 116.177 115.700 0.014 0.000 2.569 457 S HA -0.010 4.462 4.470 0.003 0.000 0.274 457 S C 1.133 175.737 174.600 0.007 0.000 1.353 457 S CA -0.419 57.789 58.200 0.014 0.000 1.023 457 S CB 1.151 64.365 63.200 0.024 0.000 0.876 457 S HN 0.630 nan 8.310 nan 0.000 0.540 458 S N 1.138 116.840 115.700 0.005 0.000 2.383 458 S HA -0.125 4.346 4.470 0.003 0.000 0.229 458 S C 1.369 175.971 174.600 0.003 0.000 1.030 458 S CA 1.480 59.682 58.200 0.002 0.000 1.002 458 S CB -0.593 62.608 63.200 0.003 0.000 0.829 458 S HN 0.927 nan 8.310 nan 0.000 0.467 459 D N 0.308 120.713 120.400 0.008 0.000 2.358 459 D HA 0.111 4.752 4.640 0.003 0.000 0.224 459 D C 0.286 176.584 176.300 -0.004 0.000 1.123 459 D CA 0.000 54.007 54.000 0.011 0.000 0.833 459 D CB -0.249 40.566 40.800 0.024 0.000 0.946 459 D HN 0.148 nan 8.370 nan 0.000 0.505 460 S N 0.926 116.622 115.700 -0.008 0.000 2.546 460 S HA 0.008 4.479 4.470 0.003 0.000 0.290 460 S C 1.648 176.172 174.600 -0.126 0.000 1.290 460 S CA 0.146 58.334 58.200 -0.019 0.000 1.069 460 S CB 0.731 63.950 63.200 0.031 0.000 0.846 460 S HN 0.328 nan 8.310 nan 0.000 0.495 461 S N 4.603 120.137 115.700 -0.276 0.000 2.469 461 S HA -0.116 4.356 4.470 0.003 0.000 0.238 461 S C 1.342 175.626 174.600 -0.527 0.000 0.998 461 S CA 0.788 58.581 58.200 -0.678 0.000 0.957 461 S CB -0.744 61.805 63.200 -1.085 0.000 0.764 461 S HN 0.879 nan 8.310 nan 0.000 0.514 462 Y N 1.252 121.407 120.300 -0.241 0.000 2.497 462 Y HA 0.172 4.724 4.550 0.003 0.000 0.292 462 Y C 1.981 177.776 175.900 -0.176 0.000 1.137 462 Y CA 0.596 58.569 58.100 -0.211 0.000 1.285 462 Y CB -0.123 38.206 38.460 -0.217 0.000 0.991 462 Y HN 0.286 nan 8.280 nan 0.000 0.556 463 L N -0.981 120.227 121.223 -0.025 0.000 2.554 463 L HA 0.042 4.383 4.340 0.003 0.000 0.225 463 L C 1.529 178.367 176.870 -0.053 0.000 1.104 463 L CA 0.736 55.556 54.840 -0.033 0.000 0.866 463 L CB -0.270 41.773 42.059 -0.027 0.000 1.047 463 L HN 0.272 nan 8.230 nan 0.000 0.468 464 T N -3.493 110.993 114.554 -0.114 0.000 2.638 464 T HA -0.009 4.342 4.350 0.003 0.000 0.169 464 T C 1.391 176.049 174.700 -0.070 0.000 0.790 464 T CA 0.228 62.288 62.100 -0.067 0.000 1.151 464 T CB -0.714 68.149 68.868 -0.008 0.000 2.581 464 T HN 0.121 nan 8.240 nan 0.000 0.391 465 Y N 1.232 121.519 120.300 -0.020 0.000 2.561 465 Y HA 0.458 5.009 4.550 0.002 0.000 0.291 465 Y C 1.480 177.362 175.900 -0.031 0.000 1.141 465 Y CA 0.085 58.171 58.100 -0.024 0.000 1.303 465 Y CB -0.852 37.593 38.460 -0.026 0.000 1.015 465 Y HN 0.175 nan 8.280 nan 0.000 0.547 466 N N 0.627 119.154 118.700 -0.288 0.000 2.235 466 N HA 0.240 4.981 4.740 0.003 0.000 0.209 466 N C 1.581 177.068 175.510 -0.038 0.000 1.122 466 N CA 0.658 53.608 53.050 -0.166 0.000 0.845 466 N CB 0.465 38.722 38.487 -0.383 0.000 1.004 466 N HN 0.505 nan 8.380 nan 0.000 0.499 467 A N 1.073 123.871 122.820 -0.036 0.000 1.917 467 A HA -0.119 4.202 4.320 0.003 0.000 0.219 467 A C 2.250 179.817 177.584 -0.029 0.000 1.182 467 A CA 1.967 53.999 52.037 -0.007 0.000 0.633 467 A CB -0.510 18.476 19.000 -0.024 0.000 0.819 467 A HN 0.282 nan 8.150 nan 0.000 0.448 468 A N -1.073 121.726 122.820 -0.035 0.000 2.121 468 A HA 0.047 4.368 4.320 0.003 0.000 0.218 468 A C 1.909 179.423 177.584 -0.116 0.000 1.154 468 A CA 1.400 53.388 52.037 -0.083 0.000 0.679 468 A CB -0.443 18.529 19.000 -0.047 0.000 0.795 468 A HN 0.518 nan 8.150 nan 0.000 0.458 469 I N -0.134 120.408 120.570 -0.047 0.000 2.928 469 I HA -0.065 4.107 4.170 0.003 0.000 0.266 469 I C 1.879 177.945 176.117 -0.086 0.000 1.234 469 I CA 0.427 61.703 61.300 -0.039 0.000 1.483 469 I CB -0.252 37.772 38.000 0.039 0.000 1.097 469 I HN 0.355 nan 8.210 nan 0.000 0.455 470 I N 1.484 121.990 120.570 -0.106 0.000 2.133 470 I HA -0.162 4.010 4.170 0.003 0.000 0.238 470 I C -0.298 175.710 176.117 -0.181 0.000 1.074 470 I CA 1.262 62.461 61.300 -0.168 0.000 1.342 470 I CB -1.980 35.910 38.000 -0.183 0.000 1.053 470 I HN 0.145 nan 8.210 nan 0.000 0.404 471 P HA -0.118 nan 4.420 nan 0.000 0.216 471 P C 1.978 179.071 177.300 -0.343 0.000 1.150 471 P CA 1.199 64.111 63.100 -0.315 0.000 0.837 471 P CB -0.014 31.224 31.700 -0.771 0.000 0.786 472 V N -0.469 119.184 119.914 -0.435 0.000 2.270 472 V HA -0.233 3.889 4.120 0.003 0.000 0.245 472 V C 2.363 178.399 176.094 -0.097 0.000 1.043 472 V CA 2.628 64.748 62.300 -0.299 0.000 1.014 472 V CB -1.765 29.945 31.823 -0.188 0.000 0.645 472 V HN 0.174 nan 8.190 nan 0.000 0.447 473 T N -0.172 114.380 114.554 -0.004 0.000 2.708 473 T HA -0.249 4.102 4.350 0.003 0.000 0.266 473 T C 1.862 176.632 174.700 0.117 0.000 1.037 473 T CA 2.112 64.273 62.100 0.102 0.000 1.146 473 T CB -0.318 68.484 68.868 -0.110 0.000 0.865 473 T HN 0.377 nan 8.240 nan 0.000 0.435 474 M N 0.267 119.863 119.600 -0.007 0.000 2.080 474 M HA -0.212 4.270 4.480 0.003 0.000 0.260 474 M C 2.174 178.570 176.300 0.159 0.000 1.068 474 M CA 1.887 57.195 55.300 0.014 0.000 1.109 474 M CB -0.228 32.345 32.600 -0.044 0.000 1.342 474 M HN 0.290 nan 8.290 nan 0.000 0.405 475 H N -0.938 118.160 119.070 0.047 0.000 2.353 475 H HA -0.145 4.412 4.556 0.003 0.000 0.300 475 H C 1.582 177.000 175.328 0.150 0.000 1.090 475 H CA 2.349 58.445 56.048 0.081 0.000 1.327 475 H CB -0.499 29.292 29.762 0.048 0.000 1.383 475 H HN 0.454 nan 8.280 nan 0.000 0.508 476 Y N -0.713 119.786 120.300 0.332 0.000 2.165 476 Y HA -0.210 4.342 4.550 0.003 0.000 0.286 476 Y C 2.155 178.143 175.900 0.147 0.000 1.155 476 Y CA 1.076 59.337 58.100 0.268 0.000 1.164 476 Y CB -0.802 37.915 38.460 0.429 0.000 0.978 476 Y HN 0.146 nan 8.280 nan 0.000 0.513 477 F N -0.734 119.291 119.950 0.126 0.000 2.146 477 F HA -0.171 4.358 4.527 0.002 0.000 0.298 477 F C 2.341 177.995 175.800 -0.244 0.000 1.096 477 F CA 1.050 58.982 58.000 -0.113 0.000 1.275 477 F CB -0.975 37.922 39.000 -0.171 0.000 1.008 477 F HN -0.046 nan 8.300 nan 0.000 0.480 478 I N -1.218 119.390 120.570 0.064 0.000 2.179 478 I HA -0.345 3.827 4.170 0.003 0.000 0.242 478 I C 2.681 178.819 176.117 0.036 0.000 1.088 478 I CA 1.570 62.878 61.300 0.014 0.000 1.357 478 I CB -0.681 37.366 38.000 0.078 0.000 1.051 478 I HN 0.104 nan 8.210 nan 0.000 0.409 479 S N 0.632 116.399 115.700 0.111 0.000 2.370 479 S HA -0.258 4.213 4.470 0.003 0.000 0.226 479 S C 2.062 176.664 174.600 0.004 0.000 1.033 479 S CA 1.584 59.865 58.200 0.134 0.000 1.011 479 S CB -0.463 62.825 63.200 0.148 0.000 0.852 479 S HN 0.443 nan 8.310 nan 0.000 0.457 480 F N 1.829 121.652 119.950 -0.212 0.000 2.134 480 F HA -0.043 4.486 4.527 0.003 0.000 0.299 480 F C 2.097 177.783 175.800 -0.190 0.000 1.097 480 F CA 1.419 59.235 58.000 -0.306 0.000 1.264 480 F CB -0.514 38.195 39.000 -0.485 0.000 1.001 480 F HN 0.053 nan 8.300 nan 0.000 0.479 481 V N 0.376 120.195 119.914 -0.158 0.000 2.332 481 V HA -0.342 3.780 4.120 0.003 0.000 0.248 481 V C 2.258 178.344 176.094 -0.013 0.000 1.055 481 V CA 2.383 64.591 62.300 -0.154 0.000 1.038 481 V CB -0.746 30.925 31.823 -0.254 0.000 0.651 481 V HN 0.426 nan 8.190 nan 0.000 0.450 482 Q N -0.347 119.453 119.800 0.001 0.000 2.137 482 Q HA -0.095 4.247 4.340 0.003 0.000 0.198 482 Q C 2.038 178.081 176.000 0.071 0.000 0.960 482 Q CA 1.884 57.707 55.803 0.034 0.000 0.847 482 Q CB 0.027 28.833 28.738 0.114 0.000 0.915 482 Q HN 0.819 nan 8.270 nan 0.000 0.448 483 T N -3.975 110.575 114.554 -0.005 0.000 3.087 483 T HA 0.273 4.625 4.350 0.003 0.000 0.283 483 T C 0.582 175.180 174.700 -0.171 0.000 0.956 483 T CA -0.347 61.737 62.100 -0.027 0.000 0.894 483 T CB 0.274 69.097 68.868 -0.075 0.000 1.160 483 T HN 0.230 nan 8.240 nan 0.000 0.532 484 L N 0.490 121.447 121.223 -0.443 0.000 4.040 484 L HA -0.144 4.197 4.340 0.003 0.000 0.410 484 L C -0.252 176.371 176.870 -0.411 0.000 1.187 484 L CA 0.528 54.891 54.840 -0.794 0.000 0.956 484 L CB -2.262 39.544 42.059 -0.421 0.000 2.022 484 L HN 0.533 nan 8.230 nan 0.000 0.897 485 N N -0.057 118.408 118.700 -0.392 0.000 2.478 485 N HA 0.315 5.057 4.740 0.003 0.000 0.291 485 N C -1.966 173.235 175.510 -0.515 0.000 1.090 485 N CA -1.469 51.244 53.050 -0.563 0.000 0.911 485 N CB 2.147 40.502 38.487 -0.220 0.000 1.546 485 N HN -0.273 nan 8.380 nan 0.000 0.500 486 P HA -0.023 nan 4.420 nan 0.000 0.230 486 P C 0.365 177.651 177.300 -0.023 0.000 1.158 486 P CA 0.776 63.659 63.100 -0.362 0.000 0.769 486 P CB 0.622 31.872 31.700 -0.750 0.000 0.807 487 N N -0.469 118.141 118.700 -0.150 0.000 2.376 487 N HA -0.040 4.701 4.740 0.003 0.000 0.177 487 N C 1.604 177.099 175.510 -0.025 0.000 1.024 487 N CA 1.170 54.245 53.050 0.042 0.000 0.893 487 N CB -0.754 37.767 38.487 0.055 0.000 0.980 487 N HN 0.145 nan 8.380 nan 0.000 0.439 488 T N 0.131 114.582 114.554 -0.170 0.000 2.665 488 T HA -0.152 4.199 4.350 0.003 0.000 0.268 488 T C 0.860 175.286 174.700 -0.457 0.000 1.035 488 T CA 1.369 63.231 62.100 -0.396 0.000 1.151 488 T CB -0.284 68.193 68.868 -0.652 0.000 0.862 488 T HN 0.398 nan 8.240 nan 0.000 0.438 489 Y N 1.966 122.294 120.300 0.046 0.000 2.669 489 Y HA 0.317 4.868 4.550 0.003 0.000 0.302 489 Y C 0.770 176.737 175.900 0.113 0.000 1.000 489 Y CA -1.334 56.805 58.100 0.066 0.000 1.222 489 Y CB 0.072 38.563 38.460 0.052 0.000 1.209 489 Y HN 0.120 nan 8.280 nan 0.000 0.571 490 R N -1.135 119.466 120.500 0.169 0.000 2.774 490 R HA 0.041 4.383 4.340 0.003 0.000 0.269 490 R C -0.392 175.927 176.300 0.032 0.000 1.068 490 R CA -0.554 55.587 56.100 0.068 0.000 1.180 490 R CB 0.413 30.715 30.300 0.003 0.000 1.077 490 R HN 0.286 nan 8.270 nan 0.000 0.513 491 Y N 1.020 121.150 120.300 -0.284 0.000 2.683 491 Y HA 0.038 4.589 4.550 0.003 0.000 0.340 491 Y C 1.376 177.136 175.900 -0.233 0.000 1.245 491 Y CA 0.897 58.715 58.100 -0.470 0.000 1.485 491 Y CB 0.690 38.776 38.460 -0.623 0.000 1.328 491 Y HN 0.860 nan 8.280 nan 0.000 0.603 492 A N 3.019 125.302 122.820 -0.895 0.000 1.896 492 A HA -0.295 4.026 4.320 0.003 0.000 0.220 492 A C 1.889 179.306 177.584 -0.279 0.000 1.206 492 A CA 2.855 54.583 52.037 -0.515 0.000 0.647 492 A CB -1.488 17.169 19.000 -0.573 0.000 0.828 492 A HN 0.929 nan 8.150 nan 0.000 0.455 493 T N -2.904 111.500 114.554 -0.249 0.000 3.122 493 T HA 0.614 4.966 4.350 0.003 0.000 0.250 493 T C 0.538 175.271 174.700 0.055 0.000 1.067 493 T CA 0.348 62.426 62.100 -0.037 0.000 0.966 493 T CB -0.307 68.572 68.868 0.019 0.000 1.002 493 T HN 0.702 nan 8.240 nan 0.000 0.542 494 A N 3.446 126.305 122.820 0.064 0.000 2.371 494 A HA 0.604 4.925 4.320 0.003 0.000 0.257 494 A C -1.949 175.722 177.584 0.145 0.000 1.089 494 A CA -1.535 50.553 52.037 0.086 0.000 0.794 494 A CB 0.117 19.067 19.000 -0.084 0.000 1.029 494 A HN 0.331 nan 8.150 nan 0.000 0.488 495 P HA 0.136 nan 4.420 nan 0.000 0.274 495 P C -0.360 177.118 177.300 0.297 0.000 1.246 495 P CA -0.426 62.795 63.100 0.201 0.000 0.795 495 P CB 0.543 32.338 31.700 0.157 0.000 1.006 496 E N 0.761 121.104 120.200 0.237 0.000 2.414 496 E HA -0.008 4.344 4.350 0.003 0.000 0.263 496 E C -1.026 175.780 176.600 0.343 0.000 1.000 496 E CA -0.355 56.211 56.400 0.277 0.000 0.914 496 E CB 0.279 30.101 29.700 0.203 0.000 0.948 496 E HN 0.337 nan 8.360 nan 0.000 0.444 497 W N 6.695 128.078 121.300 0.139 0.000 2.278 497 W HA 0.302 4.963 4.660 0.003 0.000 0.317 497 W C -1.147 175.559 176.519 0.311 0.000 1.030 497 W CA -1.240 56.166 57.345 0.102 0.000 1.334 497 W CB 0.033 29.386 29.460 -0.178 0.000 1.215 497 W HN 0.470 nan 8.180 nan 0.000 0.405 498 N N 2.778 121.856 118.700 0.629 0.000 2.483 498 N HA 0.187 4.928 4.740 0.003 0.000 0.269 498 N C 0.524 176.252 175.510 0.363 0.000 1.209 498 N CA 0.056 53.357 53.050 0.418 0.000 0.969 498 N CB 0.927 39.552 38.487 0.230 0.000 1.173 498 N HN 0.398 nan 8.380 nan 0.000 0.475 499 T N -2.505 112.058 114.554 0.015 0.000 2.726 499 T HA -0.010 4.342 4.350 0.003 0.000 0.294 499 T C 1.428 176.136 174.700 0.013 0.000 1.013 499 T CA -0.690 61.241 62.100 -0.281 0.000 0.996 499 T CB 0.786 69.361 68.868 -0.488 0.000 1.016 499 T HN 0.626 nan 8.240 nan 0.000 0.529 500 W N 1.643 122.846 121.300 -0.162 0.000 2.321 500 W HA -0.128 4.534 4.660 0.002 0.000 0.306 500 W C 1.378 177.872 176.519 -0.041 0.000 1.217 500 W CA 2.029 59.339 57.345 -0.058 0.000 1.257 500 W CB -1.234 28.178 29.460 -0.080 0.000 1.145 500 W HN 1.242 nan 8.180 nan 0.000 0.509 501 G N 1.749 110.506 108.800 -0.071 0.000 2.629 501 G HA2 -0.459 3.502 3.960 0.003 0.000 0.313 501 G HA3 -0.459 3.502 3.960 0.003 0.000 0.313 501 G C 0.307 175.022 174.900 -0.309 0.000 1.217 501 G CA 1.237 46.240 45.100 -0.162 0.000 0.994 501 G HN 0.526 nan 8.290 nan 0.000 0.549 502 N N 2.055 120.535 118.700 -0.368 0.000 2.279 502 N HA 0.495 5.236 4.740 0.003 0.000 0.226 502 N C 0.847 175.981 175.510 -0.627 0.000 1.126 502 N CA 1.125 53.954 53.050 -0.370 0.000 0.846 502 N CB 0.446 38.821 38.487 -0.188 0.000 1.050 502 N HN 2.291 nan 8.380 nan 0.000 0.502 503 G N 0.351 108.400 108.800 -1.252 0.000 2.978 503 G HA2 -0.103 3.859 3.960 0.003 0.000 0.193 503 G HA3 -0.103 3.859 3.960 0.003 0.000 0.193 503 G C -1.450 172.958 174.900 -0.821 0.000 1.038 503 G CA -0.796 43.359 45.100 -1.575 0.000 1.103 503 G HN 0.206 nan 8.290 nan 0.000 0.574 504 Q N 0.232 119.634 119.800 -0.664 0.000 2.372 504 Q HA 0.755 5.097 4.340 0.003 0.000 0.273 504 Q C 0.246 176.263 176.000 0.029 0.000 1.078 504 Q CA -0.664 55.015 55.803 -0.206 0.000 0.806 504 Q CB 2.893 31.558 28.738 -0.122 0.000 1.332 504 Q HN 0.963 nan 8.270 nan 0.000 0.435 505 R N 0.223 120.777 120.500 0.091 0.000 2.710 505 R HA 0.617 4.959 4.340 0.003 0.000 0.270 505 R C -1.330 174.989 176.300 0.031 0.000 1.021 505 R CA -1.004 55.212 56.100 0.193 0.000 0.889 505 R CB 0.952 31.375 30.300 0.205 0.000 1.243 505 R HN 0.424 nan 8.270 nan 0.000 0.464 506 L N 1.897 123.015 121.223 -0.176 0.000 2.281 506 L HA 0.384 4.726 4.340 0.003 0.000 0.285 506 L C 0.044 176.761 176.870 -0.256 0.000 1.074 506 L CA -0.157 54.401 54.840 -0.470 0.000 0.817 506 L CB 0.860 42.072 42.059 -1.411 0.000 1.168 506 L HN 0.645 nan 8.230 nan 0.000 0.434 507 R N 5.618 126.036 120.500 -0.135 0.000 2.234 507 R HA 0.368 4.710 4.340 0.003 0.000 0.324 507 R C -1.303 174.954 176.300 -0.071 0.000 1.054 507 R CA -0.465 55.605 56.100 -0.050 0.000 0.912 507 R CB 0.312 30.607 30.300 -0.009 0.000 1.030 507 R HN 0.720 nan 8.270 nan 0.000 0.455 508 L N 5.078 126.277 121.223 -0.041 0.000 2.255 508 L HA 0.339 4.680 4.340 0.003 0.000 0.289 508 L C -0.212 176.676 176.870 0.030 0.000 1.046 508 L CA 0.004 54.828 54.840 -0.026 0.000 0.816 508 L CB 1.209 43.235 42.059 -0.056 0.000 1.197 508 L HN 0.658 nan 8.230 nan 0.000 0.427 509 Q N 2.138 121.957 119.800 0.032 0.000 2.327 509 Q HA 0.244 4.586 4.340 0.003 0.000 0.265 509 Q C -1.148 174.877 176.000 0.042 0.000 0.993 509 Q CA -0.631 55.200 55.803 0.046 0.000 0.885 509 Q CB 2.094 30.857 28.738 0.041 0.000 1.379 509 Q HN 0.535 nan 8.270 nan 0.000 0.408 510 T N 4.439 119.023 114.554 0.050 0.000 2.866 510 T HA 0.005 4.356 4.350 0.003 0.000 0.293 510 T C 0.343 175.066 174.700 0.040 0.000 1.005 510 T CA 0.691 62.816 62.100 0.043 0.000 1.162 510 T CB -0.079 68.825 68.868 0.060 0.000 0.968 510 T HN 0.807 nan 8.240 nan 0.000 0.530 511 N N 1.443 120.162 118.700 0.031 0.000 2.713 511 N HA -0.165 4.576 4.740 0.003 0.000 0.251 511 N C -0.316 175.211 175.510 0.028 0.000 1.117 511 N CA 1.287 54.354 53.050 0.030 0.000 0.770 511 N CB -0.697 37.808 38.487 0.029 0.000 1.137 511 N HN 0.770 nan 8.380 nan 0.000 0.566 512 D N -0.467 119.951 120.400 0.029 0.000 3.404 512 D HA 0.126 4.767 4.640 0.003 0.000 0.329 512 D C -1.106 175.208 176.300 0.024 0.000 1.421 512 D CA 0.041 54.056 54.000 0.026 0.000 0.742 512 D CB 0.171 40.984 40.800 0.023 0.000 1.290 512 D HN -0.038 nan 8.370 nan 0.000 0.600 513 T N 0.620 115.191 114.554 0.029 0.000 2.767 513 T HA 0.840 5.192 4.350 0.003 0.000 0.288 513 T C -0.346 174.366 174.700 0.021 0.000 0.963 513 T CA -0.234 61.879 62.100 0.022 0.000 1.019 513 T CB 1.415 70.315 68.868 0.052 0.000 0.923 513 T HN 0.319 nan 8.240 nan 0.000 0.468 514 A N 3.816 126.630 122.820 -0.010 0.000 2.597 514 A HA 0.661 4.983 4.320 0.003 0.000 0.292 514 A C -0.915 176.650 177.584 -0.032 0.000 1.057 514 A CA -0.930 51.106 52.037 -0.002 0.000 0.674 514 A CB 1.042 20.049 19.000 0.013 0.000 1.278 514 A HN 0.590 nan 8.150 nan 0.000 0.416 515 M N 1.696 121.290 119.600 -0.009 0.000 2.238 515 M HA 0.338 4.820 4.480 0.003 0.000 0.347 515 M C 0.360 176.660 176.300 -0.001 0.000 1.173 515 M CA 0.696 55.994 55.300 -0.003 0.000 1.147 515 M CB -0.100 32.526 32.600 0.044 0.000 1.547 515 M HN 0.847 nan 8.290 nan 0.000 0.455 516 E N 0.871 121.069 120.200 -0.003 0.000 2.390 516 E HA 0.775 5.127 4.350 0.003 0.000 0.277 516 E C -1.635 174.952 176.600 -0.020 0.000 0.939 516 E CA -1.179 55.217 56.400 -0.006 0.000 0.769 516 E CB 1.519 31.219 29.700 -0.000 0.000 1.251 516 E HN 0.619 nan 8.360 nan 0.000 0.450 517 A N 1.741 124.540 122.820 -0.033 0.000 2.354 517 A HA 0.410 4.731 4.320 0.003 0.000 0.269 517 A C 0.121 177.675 177.584 -0.050 0.000 1.109 517 A CA -0.684 51.313 52.037 -0.066 0.000 0.800 517 A CB 0.635 19.595 19.000 -0.066 0.000 1.045 517 A HN 0.411 nan 8.150 nan 0.000 0.489 518 V N 4.752 124.617 119.914 -0.082 0.000 2.485 518 V HA 0.120 4.241 4.120 0.003 0.000 0.287 518 V C -1.847 174.234 176.094 -0.021 0.000 1.022 518 V CA -0.688 61.596 62.300 -0.027 0.000 1.067 518 V CB 0.170 31.981 31.823 -0.021 0.000 0.967 518 V HN 0.791 nan 8.190 nan 0.000 0.479 519 P HA 0.091 nan 4.420 nan 0.000 0.269 519 P C 0.780 178.086 177.300 0.009 0.000 1.209 519 P CA -0.191 62.911 63.100 0.004 0.000 0.776 519 P CB 0.735 32.445 31.700 0.015 0.000 0.876 520 E N 2.420 122.619 120.200 -0.002 0.000 2.130 520 E HA -0.242 4.109 4.350 0.003 0.000 0.196 520 E C 1.667 178.274 176.600 0.011 0.000 0.998 520 E CA 2.346 58.748 56.400 0.003 0.000 0.806 520 E CB -0.676 29.020 29.700 -0.008 0.000 0.738 520 E HN 0.456 nan 8.360 nan 0.000 0.459 521 S N -0.952 114.751 115.700 0.003 0.000 2.382 521 S HA -0.150 4.321 4.470 0.003 0.000 0.228 521 S C 2.215 176.830 174.600 0.024 0.000 1.027 521 S CA 1.329 59.526 58.200 -0.005 0.000 0.991 521 S CB -0.514 62.674 63.200 -0.020 0.000 0.823 521 S HN 0.205 nan 8.310 nan 0.000 0.469 522 S N 2.211 117.945 115.700 0.058 0.000 2.383 522 S HA 0.168 4.640 4.470 0.003 0.000 0.227 522 S C 1.823 176.506 174.600 0.138 0.000 1.026 522 S CA 1.172 59.439 58.200 0.112 0.000 0.981 522 S CB -0.566 62.708 63.200 0.124 0.000 0.818 522 S HN 0.452 nan 8.310 nan 0.000 0.472 523 L N 1.309 122.599 121.223 0.111 0.000 2.046 523 L HA -0.174 4.167 4.340 0.003 0.000 0.208 523 L C 2.731 179.671 176.870 0.118 0.000 1.077 523 L CA 1.242 56.159 54.840 0.129 0.000 0.747 523 L CB -0.603 41.514 42.059 0.097 0.000 0.896 523 L HN 0.353 nan 8.230 nan 0.000 0.432 524 Q N -0.154 119.691 119.800 0.075 0.000 2.084 524 Q HA -0.213 4.129 4.340 0.003 0.000 0.202 524 Q C 1.848 177.892 176.000 0.074 0.000 0.978 524 Q CA 1.600 57.433 55.803 0.051 0.000 0.844 524 Q CB -0.094 28.643 28.738 -0.002 0.000 0.898 524 Q HN 0.465 nan 8.270 nan 0.000 0.426 525 D N -0.100 120.353 120.400 0.089 0.000 2.144 525 D HA -0.133 4.509 4.640 0.003 0.000 0.199 525 D C 1.862 178.364 176.300 0.335 0.000 0.984 525 D CA 0.868 54.964 54.000 0.161 0.000 0.834 525 D CB -0.307 40.627 40.800 0.223 0.000 0.955 525 D HN 0.285 nan 8.370 nan 0.000 0.465 526 c N 0.923 119.713 118.600 0.316 0.000 2.435 526 c HA 0.047 4.618 4.570 0.003 0.000 0.279 526 c C 2.854 177.083 174.090 0.232 0.000 1.321 526 c CA 0.523 57.056 56.329 0.340 0.000 1.752 526 c CB -0.952 41.724 42.510 0.276 0.000 1.959 526 c HN 0.350 nan 8.230 nan 0.000 0.500 527 A N -0.005 122.914 122.820 0.165 0.000 1.930 527 A HA -0.152 4.169 4.320 0.003 0.000 0.217 527 A C 1.878 179.490 177.584 0.046 0.000 1.175 527 A CA 1.447 53.541 52.037 0.096 0.000 0.627 527 A CB -0.751 18.298 19.000 0.082 0.000 0.815 527 A HN 0.542 nan 8.150 nan 0.000 0.443 528 F N -0.615 119.271 119.950 -0.105 0.000 2.075 528 F HA -0.179 4.349 4.527 0.002 0.000 0.297 528 F C 1.964 177.582 175.800 -0.304 0.000 1.113 528 F CA 1.688 59.533 58.000 -0.259 0.000 1.218 528 F CB -0.681 38.076 39.000 -0.405 0.000 0.984 528 F HN 0.387 nan 8.300 nan 0.000 0.472 529 W N 0.633 121.813 121.300 -0.199 0.000 2.342 529 W HA -0.181 4.481 4.660 0.002 0.000 0.297 529 W C 2.511 178.761 176.519 -0.448 0.000 1.213 529 W CA 1.202 58.333 57.345 -0.357 0.000 1.251 529 W CB -0.532 28.868 29.460 -0.100 0.000 1.136 529 W HN -0.075 nan 8.180 nan 0.000 0.526 530 K N 1.115 121.415 120.400 -0.167 0.000 2.103 530 K HA -0.210 4.111 4.320 0.003 0.000 0.207 530 K C 2.117 178.529 176.600 -0.313 0.000 1.048 530 K CA 2.039 58.123 56.287 -0.337 0.000 0.930 530 K CB -0.675 31.737 32.500 -0.147 0.000 0.716 530 K HN 0.085 nan 8.250 nan 0.000 0.444 531 S N -0.491 115.039 115.700 -0.282 0.000 2.547 531 S HA -0.044 4.428 4.470 0.003 0.000 0.235 531 S C 1.318 175.740 174.600 -0.297 0.000 0.980 531 S CA 0.716 58.763 58.200 -0.255 0.000 0.941 531 S CB -0.236 62.829 63.200 -0.226 0.000 0.763 531 S HN 0.324 nan 8.310 nan 0.000 0.532 532 L N 1.708 122.712 121.223 -0.364 0.000 2.857 532 L HA 0.204 4.545 4.340 0.003 0.000 0.249 532 L C 2.287 179.021 176.870 -0.226 0.000 1.172 532 L CA 0.497 55.156 54.840 -0.303 0.000 0.980 532 L CB -0.223 41.606 42.059 -0.383 0.000 1.299 532 L HN 0.455 nan 8.230 nan 0.000 0.535 533 T N -3.293 111.101 114.554 -0.267 0.000 2.833 533 T HA -0.122 4.230 4.350 0.003 0.000 0.269 533 T C 1.761 176.392 174.700 -0.115 0.000 1.054 533 T CA 1.092 63.052 62.100 -0.233 0.000 1.135 533 T CB -0.402 68.259 68.868 -0.345 0.000 0.869 533 T HN 0.072 nan 8.240 nan 0.000 0.466 534 V N 3.407 123.257 119.914 -0.106 0.000 2.223 534 V HA -0.071 4.051 4.120 0.003 0.000 0.244 534 V C 0.374 176.439 176.094 -0.049 0.000 1.045 534 V CA 1.985 64.247 62.300 -0.064 0.000 1.000 534 V CB -1.626 30.163 31.823 -0.057 0.000 0.635 534 V HN 0.447 nan 8.190 nan 0.000 0.445 535 P HA -0.155 nan 4.420 nan 0.000 0.218 535 P C 1.732 179.031 177.300 -0.002 0.000 1.149 535 P CA 1.657 64.739 63.100 -0.032 0.000 0.817 535 P CB -0.097 31.578 31.700 -0.041 0.000 0.785 536 M N -0.977 118.607 119.600 -0.026 0.000 2.492 536 M HA -0.005 4.476 4.480 0.003 0.000 0.262 536 M C 0.143 176.511 176.300 0.113 0.000 1.090 536 M CA 0.779 56.101 55.300 0.037 0.000 1.110 536 M CB -0.721 31.751 32.600 -0.213 0.000 1.407 536 M HN -0.082 nan 8.290 nan 0.000 0.470 537 E N 0.510 120.727 120.200 0.029 0.000 2.246 537 E HA -0.147 4.205 4.350 0.003 0.000 0.211 537 E C -0.752 175.869 176.600 0.035 0.000 1.278 537 E CA 0.183 56.592 56.400 0.014 0.000 0.694 537 E CB -2.020 27.672 29.700 -0.014 0.000 1.166 537 E HN 0.480 nan 8.360 nan 0.000 0.370 538 V N 0.000 119.951 119.914 0.062 0.000 2.409 538 V HA 0.000 4.122 4.120 0.003 0.000 0.244 538 V CA 0.000 62.374 62.300 0.124 0.000 1.235 538 V CB 0.000 31.966 31.823 0.239 0.000 1.184 538 V HN 0.000 nan 8.190 nan 0.000 0.556