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 1tjw_1_A DATA FIRST_RESID 19 DATA SEQUENCE TDPIMEKLNS SIAYDQRLSE VDIQGSMAYA KALEKAGILT KTELEKILSG DATA SEQUENCE LEKISEEWSK GVFVVKQSDE DIHTANERRL KELIGDIAGK LHTGRSRNDQ DATA SEQUENCE VVTDLKLFMK NSLSIISTHL LQLIKTLVER AAIEIDVILP GYDHLQKAQP DATA SEQUENCE IRWSQFLLSH AVALTRDSER LGEVKKRINV LPLGSGALAG NPLDIDREML DATA SEQUENCE RSELEFASIS LNSMDAISER DFVVEFLSFA TLLMIHLSKM AEDLIIYSTS DATA SEQUENCE EFGFLTLSDA FSTGSSLMPQ KKNPDSLELI RSKAGRVFGR LASILMVLKG DATA SEQUENCE LPSTYNKDLQ EDKEAVFDVV DTLTAVLQVA TGVISTLQIS KENMEKALTP DATA SEQUENCE EMLATDLALY LVRKGVPFRQ AHTASGKAVH LAETKGITIN KLSLEDLKSI DATA SEQUENCE SPQFSSDVSQ VFNFVNSVEQ YTALAGTAKS SVTTQIEQLR ELMKKQKEQ 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 19 T HA 0.000 nan 4.350 nan 0.000 0.228 19 T C 0.000 174.706 174.700 0.011 0.000 1.109 19 T CA 0.000 62.107 62.100 0.011 0.000 1.349 19 T CB 0.000 68.875 68.868 0.011 0.000 0.612 20 D N 1.789 122.196 120.400 0.012 0.000 2.788 20 D HA 0.558 5.198 4.640 0.001 0.000 0.247 20 D C -1.408 174.899 176.300 0.012 0.000 1.236 20 D CA -2.062 51.944 54.000 0.011 0.000 0.898 20 D CB 2.300 43.107 40.800 0.011 0.000 1.401 20 D HN 0.221 nan 8.370 nan 0.000 0.549 21 P HA -0.152 nan 4.420 nan 0.000 0.215 21 P C 1.587 178.896 177.300 0.015 0.000 1.153 21 P CA 1.004 64.112 63.100 0.013 0.000 0.853 21 P CB 0.484 32.191 31.700 0.011 0.000 0.788 22 I N -1.389 119.189 120.570 0.014 0.000 2.226 22 I HA -0.209 3.962 4.170 0.001 0.000 0.245 22 I C 2.774 178.903 176.117 0.019 0.000 1.100 22 I CA 1.202 62.512 61.300 0.016 0.000 1.374 22 I CB -0.586 37.423 38.000 0.014 0.000 1.057 22 I HN -0.091 nan 8.210 nan 0.000 0.413 23 M N 0.434 120.044 119.600 0.018 0.000 2.086 23 M HA -0.180 4.300 4.480 0.001 0.000 0.261 23 M C 2.276 178.590 176.300 0.023 0.000 1.067 23 M CA 1.847 57.159 55.300 0.020 0.000 1.116 23 M CB -0.898 31.713 32.600 0.018 0.000 1.348 23 M HN 0.143 nan 8.290 nan 0.000 0.407 24 E N -0.057 120.156 120.200 0.020 0.000 2.085 24 E HA -0.235 4.115 4.350 0.001 0.000 0.194 24 E C 1.971 178.584 176.600 0.022 0.000 0.994 24 E CA 1.214 57.627 56.400 0.020 0.000 0.801 24 E CB -0.517 29.192 29.700 0.016 0.000 0.743 24 E HN 0.535 nan 8.360 nan 0.000 0.453 25 K N 0.500 120.913 120.400 0.023 0.000 2.025 25 K HA -0.137 4.184 4.320 0.001 0.000 0.207 25 K C 2.247 178.871 176.600 0.040 0.000 1.049 25 K CA 0.739 57.042 56.287 0.027 0.000 0.933 25 K CB -0.143 32.374 32.500 0.027 0.000 0.714 25 K HN 0.002 nan 8.250 nan 0.000 0.438 26 L N 1.884 123.131 121.223 0.040 0.000 2.083 26 L HA -0.145 4.195 4.340 0.001 0.000 0.209 26 L C 1.866 178.774 176.870 0.062 0.000 1.083 26 L CA 1.731 56.601 54.840 0.051 0.000 0.752 26 L CB -0.682 41.399 42.059 0.036 0.000 0.899 26 L HN 0.246 nan 8.230 nan 0.000 0.433 27 N N -0.997 117.732 118.700 0.049 0.000 2.354 27 N HA -0.079 4.662 4.740 0.001 0.000 0.179 27 N C 0.678 176.217 175.510 0.049 0.000 1.021 27 N CA 0.673 53.756 53.050 0.054 0.000 0.887 27 N CB -0.088 38.425 38.487 0.044 0.000 0.974 27 N HN 0.329 nan 8.380 nan 0.000 0.437 28 S N -0.807 114.908 115.700 0.026 0.000 2.549 28 S HA 0.140 4.611 4.470 0.001 0.000 0.283 28 S C 1.048 175.595 174.600 -0.087 0.000 1.320 28 S CA 0.033 58.221 58.200 -0.020 0.000 1.058 28 S CB 0.411 63.597 63.200 -0.023 0.000 0.882 28 S HN 0.387 nan 8.310 nan 0.000 0.498 29 S N 4.291 119.869 115.700 -0.204 0.000 2.603 29 S HA 0.086 4.556 4.470 0.001 0.000 0.232 29 S C 1.420 175.573 174.600 -0.745 0.000 1.016 29 S CA -0.171 57.675 58.200 -0.591 0.000 0.976 29 S CB -0.306 62.707 63.200 -0.311 0.000 0.921 29 S HN 0.687 nan 8.310 nan 0.000 0.516 30 I N 3.289 123.636 120.570 -0.372 0.000 2.248 30 I HA -0.130 4.041 4.170 0.001 0.000 0.248 30 I C 2.445 178.409 176.117 -0.256 0.000 1.107 30 I CA 1.340 62.481 61.300 -0.265 0.000 1.373 30 I CB -0.767 37.165 38.000 -0.113 0.000 1.055 30 I HN 0.373 nan 8.210 nan 0.000 0.418 31 A N 0.086 122.755 122.820 -0.253 0.000 1.917 31 A HA -0.252 4.069 4.320 0.001 0.000 0.219 31 A C 2.136 179.690 177.584 -0.050 0.000 1.182 31 A CA 2.416 54.392 52.037 -0.101 0.000 0.633 31 A CB -1.169 17.828 19.000 -0.005 0.000 0.819 31 A HN 0.739 nan 8.150 nan 0.000 0.448 32 Y N -0.954 119.358 120.300 0.021 0.000 2.558 32 Y HA 0.201 4.752 4.550 0.000 0.000 0.273 32 Y C 1.421 177.351 175.900 0.050 0.000 1.100 32 Y CA 0.059 58.191 58.100 0.053 0.000 1.276 32 Y CB -0.557 37.987 38.460 0.141 0.000 1.196 32 Y HN 0.333 nan 8.280 nan 0.000 0.527 33 D N 0.878 121.202 120.400 -0.127 0.000 2.378 33 D HA -0.147 4.493 4.640 0.001 0.000 0.227 33 D C 1.168 177.312 176.300 -0.259 0.000 1.012 33 D CA 0.581 54.554 54.000 -0.045 0.000 0.905 33 D CB -0.386 40.341 40.800 -0.122 0.000 0.895 33 D HN 0.565 nan 8.370 nan 0.000 0.532 34 Q N -0.193 119.422 119.800 -0.309 0.000 2.291 34 Q HA -0.104 4.237 4.340 0.001 0.000 0.206 34 Q C 2.009 177.651 176.000 -0.597 0.000 0.976 34 Q CA 0.843 56.353 55.803 -0.487 0.000 0.875 34 Q CB -0.183 28.374 28.738 -0.302 0.000 0.927 34 Q HN 0.289 nan 8.270 nan 0.000 0.450 35 R N 0.706 120.910 120.500 -0.494 0.000 2.193 35 R HA -0.078 4.262 4.340 0.001 0.000 0.229 35 R C 1.276 177.260 176.300 -0.527 0.000 1.110 35 R CA 0.734 56.477 56.100 -0.595 0.000 0.988 35 R CB 0.066 29.747 30.300 -1.031 0.000 0.871 35 R HN 0.236 nan 8.270 nan 0.000 0.458 36 L N 0.872 121.828 121.223 -0.445 0.000 2.612 36 L HA 0.067 4.407 4.340 0.001 0.000 0.230 36 L C 1.958 178.611 176.870 -0.361 0.000 1.140 36 L CA 0.203 54.872 54.840 -0.286 0.000 0.896 36 L CB -0.045 41.924 42.059 -0.150 0.000 1.065 36 L HN 0.271 nan 8.230 nan 0.000 0.447 37 S N 0.309 115.620 115.700 -0.650 0.000 2.368 37 S HA -0.304 4.166 4.470 0.001 0.000 0.226 37 S C 1.845 176.142 174.600 -0.506 0.000 1.044 37 S CA 1.777 59.414 58.200 -0.939 0.000 1.062 37 S CB -0.254 61.730 63.200 -2.027 0.000 0.931 37 S HN 0.457 nan 8.310 nan 0.000 0.440 38 E N 1.634 121.639 120.200 -0.325 0.000 2.072 38 E HA -0.091 4.259 4.350 0.001 0.000 0.191 38 E C 2.145 178.711 176.600 -0.058 0.000 0.985 38 E CA 1.620 57.946 56.400 -0.123 0.000 0.801 38 E CB -0.644 29.019 29.700 -0.061 0.000 0.750 38 E HN 0.609 nan 8.360 nan 0.000 0.452 39 V N -0.826 119.064 119.914 -0.040 0.000 2.626 39 V HA -0.132 3.988 4.120 0.001 0.000 0.252 39 V C 2.040 178.146 176.094 0.020 0.000 1.067 39 V CA 2.117 64.426 62.300 0.014 0.000 1.081 39 V CB -0.768 31.100 31.823 0.075 0.000 0.686 39 V HN 0.142 nan 8.190 nan 0.000 0.468 40 D N 0.424 120.813 120.400 -0.019 0.000 2.097 40 D HA -0.142 4.498 4.640 0.001 0.000 0.197 40 D C 2.020 178.342 176.300 0.036 0.000 0.984 40 D CA 1.573 55.585 54.000 0.020 0.000 0.826 40 D CB -0.094 40.688 40.800 -0.031 0.000 0.973 40 D HN 0.329 nan 8.370 nan 0.000 0.460 41 I N 0.781 121.360 120.570 0.015 0.000 2.226 41 I HA -0.200 3.970 4.170 0.001 0.000 0.245 41 I C 2.217 178.372 176.117 0.063 0.000 1.100 41 I CA 1.166 62.500 61.300 0.058 0.000 1.374 41 I CB -1.099 36.944 38.000 0.072 0.000 1.057 41 I HN 0.253 nan 8.210 nan 0.000 0.413 42 Q N 0.388 120.215 119.800 0.045 0.000 2.124 42 Q HA -0.102 4.238 4.340 0.001 0.000 0.202 42 Q C 2.325 178.367 176.000 0.070 0.000 0.977 42 Q CA 1.643 57.473 55.803 0.046 0.000 0.850 42 Q CB -0.752 27.999 28.738 0.021 0.000 0.901 42 Q HN 0.574 nan 8.270 nan 0.000 0.429 43 G N -0.036 108.812 108.800 0.079 0.000 2.408 43 G HA2 -0.186 3.774 3.960 0.001 0.000 0.217 43 G HA3 -0.186 3.774 3.960 0.001 0.000 0.217 43 G C 1.637 176.616 174.900 0.131 0.000 1.150 43 G CA 0.900 46.064 45.100 0.106 0.000 0.776 43 G HN 0.312 nan 8.290 nan 0.000 0.542 44 S N 0.294 116.065 115.700 0.119 0.000 2.387 44 S HA 0.009 4.479 4.470 0.001 0.000 0.226 44 S C 2.377 177.075 174.600 0.163 0.000 1.026 44 S CA 0.954 59.248 58.200 0.156 0.000 0.972 44 S CB -0.194 63.082 63.200 0.127 0.000 0.814 44 S HN 0.343 nan 8.310 nan 0.000 0.477 45 M N 1.177 120.847 119.600 0.117 0.000 2.117 45 M HA -0.092 4.388 4.480 0.001 0.000 0.262 45 M C 2.512 178.866 176.300 0.090 0.000 1.065 45 M CA 1.497 56.852 55.300 0.092 0.000 1.114 45 M CB -0.551 32.090 32.600 0.069 0.000 1.361 45 M HN 0.393 nan 8.290 nan 0.000 0.408 46 A N -0.583 122.300 122.820 0.106 0.000 1.902 46 A HA -0.216 4.104 4.320 0.001 0.000 0.217 46 A C 2.004 179.656 177.584 0.112 0.000 1.181 46 A CA 1.447 53.544 52.037 0.100 0.000 0.623 46 A CB -1.076 17.995 19.000 0.119 0.000 0.818 46 A HN 0.539 nan 8.150 nan 0.000 0.443 47 Y N 0.580 120.905 120.300 0.041 0.000 2.181 47 Y HA -0.079 4.471 4.550 0.001 0.000 0.288 47 Y C 2.703 178.621 175.900 0.030 0.000 1.146 47 Y CA 0.924 59.045 58.100 0.034 0.000 1.164 47 Y CB -0.550 37.935 38.460 0.041 0.000 0.982 47 Y HN 0.324 nan 8.280 nan 0.000 0.515 48 A N 0.326 123.188 122.820 0.071 0.000 1.883 48 A HA -0.240 4.080 4.320 0.001 0.000 0.217 48 A C 2.250 179.801 177.584 -0.055 0.000 1.186 48 A CA 2.130 54.171 52.037 0.007 0.000 0.624 48 A CB -0.601 18.435 19.000 0.059 0.000 0.822 48 A HN 0.494 nan 8.150 nan 0.000 0.444 49 K N -0.398 119.985 120.400 -0.028 0.000 2.063 49 K HA -0.114 4.206 4.320 0.001 0.000 0.208 49 K C 2.246 178.801 176.600 -0.075 0.000 1.048 49 K CA 1.229 57.495 56.287 -0.035 0.000 0.928 49 K CB -0.334 32.161 32.500 -0.008 0.000 0.713 49 K HN 0.465 nan 8.250 nan 0.000 0.442 50 A N 1.274 124.020 122.820 -0.125 0.000 1.968 50 A HA -0.066 4.254 4.320 0.001 0.000 0.217 50 A C 2.085 179.539 177.584 -0.217 0.000 1.169 50 A CA 0.956 52.895 52.037 -0.163 0.000 0.638 50 A CB -0.453 18.430 19.000 -0.195 0.000 0.812 50 A HN 0.141 nan 8.150 nan 0.000 0.446 51 L N -0.653 120.391 121.223 -0.298 0.000 2.093 51 L HA -0.159 4.181 4.340 0.001 0.000 0.208 51 L C 2.747 179.542 176.870 -0.125 0.000 1.085 51 L CA 1.511 56.203 54.840 -0.247 0.000 0.755 51 L CB -0.403 41.511 42.059 -0.243 0.000 0.904 51 L HN 0.489 nan 8.230 nan 0.000 0.435 52 E N 1.073 121.217 120.200 -0.094 0.000 2.047 52 E HA -0.273 4.077 4.350 0.001 0.000 0.191 52 E C 2.098 178.667 176.600 -0.051 0.000 0.987 52 E CA 1.354 57.721 56.400 -0.055 0.000 0.799 52 E CB 0.076 29.754 29.700 -0.037 0.000 0.752 52 E HN 0.338 nan 8.360 nan 0.000 0.449 53 K N -0.050 120.315 120.400 -0.058 0.000 2.211 53 K HA -0.081 4.239 4.320 0.001 0.000 0.204 53 K C 1.727 178.298 176.600 -0.049 0.000 1.047 53 K CA 1.185 57.444 56.287 -0.047 0.000 0.935 53 K CB -0.110 32.362 32.500 -0.047 0.000 0.728 53 K HN 0.089 nan 8.250 nan 0.000 0.452 54 A N -0.211 122.570 122.820 -0.066 0.000 2.218 54 A HA 0.216 4.536 4.320 0.001 0.000 0.209 54 A C 1.344 178.902 177.584 -0.044 0.000 1.168 54 A CA 0.759 52.761 52.037 -0.058 0.000 0.804 54 A CB -0.244 18.709 19.000 -0.078 0.000 0.834 54 A HN 0.530 nan 8.150 nan 0.000 0.482 55 G N -1.228 107.547 108.800 -0.041 0.000 2.157 55 G HA2 -0.258 3.702 3.960 0.001 0.000 0.248 55 G HA3 -0.258 3.702 3.960 0.001 0.000 0.248 55 G C 0.603 175.487 174.900 -0.026 0.000 0.979 55 G CA 0.537 45.620 45.100 -0.029 0.000 0.650 55 G HN 0.370 nan 8.290 nan 0.000 0.529 56 I N 0.132 120.681 120.570 -0.036 0.000 2.716 56 I HA 0.307 4.477 4.170 0.001 0.000 0.259 56 I C 1.443 177.550 176.117 -0.017 0.000 1.172 56 I CA 0.999 62.283 61.300 -0.026 0.000 1.478 56 I CB -0.022 37.957 38.000 -0.035 0.000 1.104 56 I HN 0.253 nan 8.210 nan 0.000 0.439 57 L N -0.346 120.863 121.223 -0.024 0.000 2.342 57 L HA 0.439 4.779 4.340 0.001 0.000 0.271 57 L C 0.323 177.185 176.870 -0.012 0.000 1.008 57 L CA -0.778 54.054 54.840 -0.013 0.000 0.818 57 L CB 1.835 43.886 42.059 -0.014 0.000 1.296 57 L HN 0.053 nan 8.230 nan 0.000 0.427 58 T N -2.293 112.258 114.554 -0.005 0.000 2.881 58 T HA 0.267 4.618 4.350 0.001 0.000 0.278 58 T C 0.892 175.589 174.700 -0.004 0.000 0.982 58 T CA -0.674 61.423 62.100 -0.005 0.000 0.989 58 T CB 1.709 70.576 68.868 -0.001 0.000 1.058 58 T HN 0.421 nan 8.240 nan 0.000 0.529 59 K N 0.413 120.811 120.400 -0.004 0.000 2.044 59 K HA -0.060 4.261 4.320 0.001 0.000 0.210 59 K C 2.484 179.085 176.600 0.001 0.000 1.049 59 K CA 2.023 58.309 56.287 -0.002 0.000 0.927 59 K CB -1.058 31.441 32.500 -0.002 0.000 0.713 59 K HN 0.754 nan 8.250 nan 0.000 0.443 60 T N 0.439 114.994 114.554 0.003 0.000 2.777 60 T HA -0.086 4.265 4.350 0.001 0.000 0.266 60 T C 1.486 176.191 174.700 0.008 0.000 1.040 60 T CA 1.272 63.375 62.100 0.005 0.000 1.141 60 T CB -0.148 68.723 68.868 0.005 0.000 0.868 60 T HN 0.326 nan 8.240 nan 0.000 0.444 61 E N 0.534 120.738 120.200 0.008 0.000 2.085 61 E HA -0.127 4.223 4.350 0.001 0.000 0.194 61 E C 2.142 178.751 176.600 0.015 0.000 0.994 61 E CA 0.894 57.301 56.400 0.012 0.000 0.801 61 E CB -0.254 29.453 29.700 0.011 0.000 0.743 61 E HN 0.219 nan 8.360 nan 0.000 0.453 62 L N 1.766 122.995 121.223 0.010 0.000 2.012 62 L HA -0.222 4.118 4.340 0.001 0.000 0.210 62 L C 1.856 178.735 176.870 0.016 0.000 1.073 62 L CA 1.912 56.758 54.840 0.011 0.000 0.748 62 L CB -0.352 41.708 42.059 0.002 0.000 0.891 62 L HN 0.050 nan 8.230 nan 0.000 0.431 63 E N -0.471 119.737 120.200 0.013 0.000 2.085 63 E HA -0.261 4.089 4.350 0.001 0.000 0.194 63 E C 2.155 178.766 176.600 0.019 0.000 0.994 63 E CA 1.614 58.023 56.400 0.015 0.000 0.801 63 E CB -0.162 29.544 29.700 0.011 0.000 0.743 63 E HN 0.528 nan 8.360 nan 0.000 0.453 64 K N 0.270 120.681 120.400 0.019 0.000 2.097 64 K HA -0.081 4.239 4.320 0.001 0.000 0.205 64 K C 2.120 178.738 176.600 0.029 0.000 1.050 64 K CA 0.669 56.969 56.287 0.021 0.000 0.938 64 K CB 0.061 32.572 32.500 0.018 0.000 0.718 64 K HN 0.086 nan 8.250 nan 0.000 0.442 65 I N 1.436 122.026 120.570 0.033 0.000 2.202 65 I HA -0.241 3.929 4.170 0.001 0.000 0.242 65 I C 2.228 178.375 176.117 0.049 0.000 1.091 65 I CA 1.460 62.787 61.300 0.045 0.000 1.368 65 I CB -0.833 37.197 38.000 0.049 0.000 1.058 65 I HN 0.180 nan 8.210 nan 0.000 0.410 66 L N -0.023 121.225 121.223 0.042 0.000 2.046 66 L HA -0.223 4.118 4.340 0.001 0.000 0.208 66 L C 2.755 179.651 176.870 0.043 0.000 1.077 66 L CA 1.553 56.419 54.840 0.044 0.000 0.747 66 L CB -0.718 41.362 42.059 0.034 0.000 0.896 66 L HN 0.245 nan 8.230 nan 0.000 0.432 67 S N 0.159 115.880 115.700 0.036 0.000 2.382 67 S HA -0.137 4.334 4.470 0.001 0.000 0.228 67 S C 2.002 176.626 174.600 0.040 0.000 1.027 67 S CA 1.427 59.647 58.200 0.033 0.000 0.991 67 S CB -0.409 62.806 63.200 0.025 0.000 0.823 67 S HN 0.509 nan 8.310 nan 0.000 0.469 68 G N 1.369 110.195 108.800 0.043 0.000 2.402 68 G HA2 -0.052 3.909 3.960 0.001 0.000 0.216 68 G HA3 -0.052 3.909 3.960 0.001 0.000 0.216 68 G C 1.433 176.376 174.900 0.072 0.000 1.162 68 G CA 0.787 45.917 45.100 0.050 0.000 0.777 68 G HN 0.521 nan 8.290 nan 0.000 0.539 69 L N -0.032 121.238 121.223 0.079 0.000 2.131 69 L HA -0.018 4.323 4.340 0.001 0.000 0.210 69 L C 2.749 179.680 176.870 0.102 0.000 1.092 69 L CA 1.116 56.017 54.840 0.101 0.000 0.759 69 L CB -0.231 41.884 42.059 0.093 0.000 0.903 69 L HN 0.186 nan 8.230 nan 0.000 0.435 70 E N 0.263 120.510 120.200 0.078 0.000 2.106 70 E HA -0.177 4.173 4.350 0.001 0.000 0.192 70 E C 2.147 178.792 176.600 0.076 0.000 0.984 70 E CA 1.080 57.522 56.400 0.070 0.000 0.806 70 E CB 0.154 29.884 29.700 0.050 0.000 0.750 70 E HN 0.180 nan 8.360 nan 0.000 0.458 71 K N 0.096 120.537 120.400 0.069 0.000 2.025 71 K HA -0.090 4.230 4.320 0.001 0.000 0.207 71 K C 2.287 178.941 176.600 0.090 0.000 1.049 71 K CA 1.189 57.512 56.287 0.060 0.000 0.933 71 K CB -0.472 32.051 32.500 0.039 0.000 0.714 71 K HN 0.281 nan 8.250 nan 0.000 0.438 72 I N 1.172 121.821 120.570 0.131 0.000 2.226 72 I HA -0.273 3.897 4.170 0.001 0.000 0.245 72 I C 2.725 179.018 176.117 0.294 0.000 1.100 72 I CA 1.100 62.532 61.300 0.220 0.000 1.374 72 I CB -0.395 37.776 38.000 0.286 0.000 1.057 72 I HN 0.141 nan 8.210 nan 0.000 0.413 73 S N 0.795 116.639 115.700 0.239 0.000 2.370 73 S HA -0.281 4.189 4.470 0.001 0.000 0.226 73 S C 2.234 176.960 174.600 0.210 0.000 1.033 73 S CA 2.093 60.432 58.200 0.232 0.000 1.011 73 S CB -0.308 62.974 63.200 0.136 0.000 0.852 73 S HN 0.558 nan 8.310 nan 0.000 0.457 74 E N 0.893 121.180 120.200 0.145 0.000 2.106 74 E HA -0.116 4.234 4.350 0.001 0.000 0.192 74 E C 1.711 178.377 176.600 0.111 0.000 0.984 74 E CA 1.400 57.866 56.400 0.109 0.000 0.806 74 E CB -1.036 28.705 29.700 0.068 0.000 0.750 74 E HN 0.900 nan 8.360 nan 0.000 0.458 75 E N -0.805 119.454 120.200 0.099 0.000 2.058 75 E HA -0.180 4.170 4.350 0.001 0.000 0.194 75 E C 2.042 178.696 176.600 0.090 0.000 0.997 75 E CA 1.335 57.758 56.400 0.039 0.000 0.801 75 E CB -0.284 29.396 29.700 -0.033 0.000 0.746 75 E HN 0.790 nan 8.360 nan 0.000 0.450 76 W N 0.646 122.030 121.300 0.141 0.000 2.388 76 W HA -0.151 4.509 4.660 0.000 0.000 0.294 76 W C 2.942 179.482 176.519 0.034 0.000 1.212 76 W CA 0.928 58.309 57.345 0.061 0.000 1.271 76 W CB -0.356 29.077 29.460 -0.045 0.000 1.126 76 W HN 0.017 nan 8.180 nan 0.000 0.535 77 S N 0.731 116.592 115.700 0.268 0.000 2.359 77 S HA -0.196 4.274 4.470 0.001 0.000 0.224 77 S C 1.592 176.263 174.600 0.118 0.000 1.035 77 S CA 1.507 59.802 58.200 0.157 0.000 1.018 77 S CB -0.243 63.026 63.200 0.115 0.000 0.876 77 S HN 0.222 nan 8.310 nan 0.000 0.448 78 K N 0.138 120.599 120.400 0.101 0.000 2.487 78 K HA 0.209 4.529 4.320 0.001 0.000 0.192 78 K C 1.093 177.733 176.600 0.066 0.000 1.027 78 K CA 0.458 56.785 56.287 0.066 0.000 1.054 78 K CB -0.149 32.376 32.500 0.042 0.000 0.824 78 K HN 0.493 nan 8.250 nan 0.000 0.510 79 G N 1.732 110.593 108.800 0.103 0.000 2.198 79 G HA2 -0.258 3.703 3.960 0.001 0.000 0.260 79 G HA3 -0.258 3.703 3.960 0.001 0.000 0.260 79 G C 0.548 175.474 174.900 0.043 0.000 1.025 79 G CA 0.493 45.653 45.100 0.100 0.000 0.769 79 G HN 0.324 nan 8.290 nan 0.000 0.507 80 V N -3.110 116.807 119.914 0.006 0.000 3.319 80 V HA 0.654 4.774 4.120 0.001 0.000 0.317 80 V C 0.890 176.900 176.094 -0.140 0.000 1.411 80 V CA -0.379 61.889 62.300 -0.054 0.000 1.112 80 V CB -0.452 31.338 31.823 -0.056 0.000 1.031 80 V HN 0.530 nan 8.190 nan 0.000 0.448 81 F N 1.520 121.244 119.950 -0.377 0.000 2.484 81 F HA 0.553 5.080 4.527 0.000 0.000 0.360 81 F C 0.144 175.653 175.800 -0.484 0.000 1.101 81 F CA -0.019 57.591 58.000 -0.650 0.000 1.251 81 F CB 1.227 39.295 39.000 -1.553 0.000 1.132 81 F HN -0.050 nan 8.300 nan 0.000 0.570 82 V N 7.517 126.982 119.914 -0.749 0.000 2.328 82 V HA 0.225 4.346 4.120 0.001 0.000 0.278 82 V C -0.291 175.669 176.094 -0.224 0.000 1.021 82 V CA -0.806 61.280 62.300 -0.357 0.000 0.838 82 V CB 1.019 32.648 31.823 -0.324 0.000 0.999 82 V HN 0.566 nan 8.190 nan 0.000 0.447 83 V N 6.369 126.334 119.914 0.086 0.000 2.583 83 V HA 0.352 4.472 4.120 0.001 0.000 0.287 83 V C 0.411 176.544 176.094 0.066 0.000 1.051 83 V CA -0.570 61.849 62.300 0.197 0.000 1.010 83 V CB 1.355 33.307 31.823 0.214 0.000 0.988 83 V HN 0.711 nan 8.190 nan 0.000 0.478 84 K N 3.585 124.024 120.400 0.064 0.000 2.118 84 K HA 0.391 4.711 4.320 0.001 0.000 0.254 84 K C 1.021 177.639 176.600 0.030 0.000 0.961 84 K CA -0.601 55.699 56.287 0.022 0.000 0.876 84 K CB 1.417 33.921 32.500 0.006 0.000 1.077 84 K HN 0.599 nan 8.250 nan 0.000 0.440 85 Q N 0.273 120.082 119.800 0.015 0.000 2.197 85 Q HA -0.165 4.175 4.340 0.001 0.000 0.207 85 Q C 1.543 177.553 176.000 0.016 0.000 0.984 85 Q CA 2.021 57.833 55.803 0.015 0.000 0.869 85 Q CB -0.141 28.602 28.738 0.008 0.000 0.906 85 Q HN 0.704 nan 8.270 nan 0.000 0.426 86 S N 0.345 116.055 115.700 0.016 0.000 2.481 86 S HA -0.058 4.412 4.470 0.001 0.000 0.231 86 S C 0.378 174.991 174.600 0.022 0.000 0.996 86 S CA 0.133 58.343 58.200 0.017 0.000 0.942 86 S CB -0.009 63.199 63.200 0.014 0.000 0.768 86 S HN 0.132 nan 8.310 nan 0.000 0.520 87 D N 3.379 123.799 120.400 0.034 0.000 2.349 87 D HA 0.059 4.700 4.640 0.001 0.000 0.266 87 D C 1.335 177.642 176.300 0.011 0.000 1.293 87 D CA 0.090 54.113 54.000 0.039 0.000 0.926 87 D CB 0.816 41.663 40.800 0.078 0.000 1.090 87 D HN 0.616 nan 8.370 nan 0.000 0.502 88 E N 1.964 122.165 120.200 0.002 0.000 2.158 88 E HA -0.113 4.237 4.350 0.001 0.000 0.191 88 E C 0.076 176.645 176.600 -0.052 0.000 0.982 88 E CA 0.688 57.079 56.400 -0.014 0.000 0.823 88 E CB 0.083 29.784 29.700 0.002 0.000 0.766 88 E HN 0.529 nan 8.360 nan 0.000 0.468 89 D N -1.081 119.284 120.400 -0.059 0.000 2.664 89 D HA 0.141 4.781 4.640 0.001 0.000 0.292 89 D C 0.823 177.010 176.300 -0.188 0.000 1.214 89 D CA -0.826 53.090 54.000 -0.141 0.000 0.932 89 D CB 0.333 41.068 40.800 -0.108 0.000 1.420 89 D HN -0.140 nan 8.370 nan 0.000 0.471 90 I N 0.283 120.634 120.570 -0.365 0.000 2.361 90 I HA -0.221 3.950 4.170 0.001 0.000 0.251 90 I C 1.250 177.177 176.117 -0.317 0.000 1.133 90 I CA 1.739 62.812 61.300 -0.379 0.000 1.413 90 I CB -0.672 37.017 38.000 -0.518 0.000 1.073 90 I HN 0.454 nan 8.210 nan 0.000 0.424 91 H N -0.203 118.823 119.070 -0.073 0.000 2.353 91 H HA -0.111 4.445 4.556 0.000 0.000 0.300 91 H C 2.140 177.431 175.328 -0.062 0.000 1.090 91 H CA 2.060 58.061 56.048 -0.077 0.000 1.327 91 H CB -0.469 29.233 29.762 -0.101 0.000 1.383 91 H HN 0.243 nan 8.280 nan 0.000 0.508 92 T N 0.313 114.888 114.554 0.034 0.000 2.857 92 T HA -0.080 4.271 4.350 0.001 0.000 0.266 92 T C 2.362 177.103 174.700 0.068 0.000 1.048 92 T CA 0.926 63.042 62.100 0.027 0.000 1.139 92 T CB -0.345 68.536 68.868 0.020 0.000 0.874 92 T HN 0.502 nan 8.240 nan 0.000 0.455 93 A N 2.385 125.261 122.820 0.092 0.000 1.902 93 A HA -0.138 4.182 4.320 0.001 0.000 0.217 93 A C 2.268 180.041 177.584 0.316 0.000 1.181 93 A CA 1.413 53.585 52.037 0.224 0.000 0.623 93 A CB -0.578 18.576 19.000 0.257 0.000 0.818 93 A HN 0.349 nan 8.150 nan 0.000 0.443 94 N N -0.050 118.778 118.700 0.213 0.000 2.188 94 N HA -0.118 4.622 4.740 0.001 0.000 0.184 94 N C 1.644 177.262 175.510 0.182 0.000 1.018 94 N CA 1.506 54.702 53.050 0.245 0.000 0.858 94 N CB -0.360 38.223 38.487 0.160 0.000 0.989 94 N HN 0.669 nan 8.380 nan 0.000 0.426 95 E N 0.411 120.675 120.200 0.108 0.000 2.107 95 E HA -0.107 4.244 4.350 0.001 0.000 0.191 95 E C 2.030 178.673 176.600 0.071 0.000 0.982 95 E CA 0.396 56.836 56.400 0.066 0.000 0.809 95 E CB 0.072 29.772 29.700 0.000 0.000 0.756 95 E HN 0.286 nan 8.360 nan 0.000 0.459 96 R N 1.126 121.676 120.500 0.084 0.000 2.070 96 R HA -0.170 4.171 4.340 0.001 0.000 0.233 96 R C 2.370 178.703 176.300 0.055 0.000 1.137 96 R CA 1.526 57.664 56.100 0.062 0.000 0.945 96 R CB -0.048 30.292 30.300 0.067 0.000 0.845 96 R HN -0.095 nan 8.270 nan 0.000 0.430 97 R N 0.831 121.392 120.500 0.100 0.000 2.096 97 R HA -0.114 4.226 4.340 0.001 0.000 0.235 97 R C 2.152 178.482 176.300 0.050 0.000 1.127 97 R CA 1.361 57.487 56.100 0.043 0.000 0.968 97 R CB -0.913 29.451 30.300 0.108 0.000 0.861 97 R HN 0.359 nan 8.270 nan 0.000 0.440 98 L N 0.828 122.105 121.223 0.090 0.000 2.083 98 L HA -0.070 4.270 4.340 0.001 0.000 0.209 98 L C 2.160 179.055 176.870 0.042 0.000 1.083 98 L CA 1.920 56.803 54.840 0.071 0.000 0.752 98 L CB -0.477 41.633 42.059 0.086 0.000 0.899 98 L HN 0.224 nan 8.230 nan 0.000 0.433 99 K N -0.527 119.895 120.400 0.036 0.000 2.097 99 K HA -0.171 4.150 4.320 0.001 0.000 0.205 99 K C 1.880 178.484 176.600 0.007 0.000 1.050 99 K CA 1.516 57.817 56.287 0.023 0.000 0.938 99 K CB -0.068 32.445 32.500 0.022 0.000 0.718 99 K HN 0.463 nan 8.250 nan 0.000 0.442 100 E N 0.545 120.742 120.200 -0.005 0.000 2.110 100 E HA -0.181 4.169 4.350 0.001 0.000 0.193 100 E C 2.032 178.618 176.600 -0.024 0.000 0.988 100 E CA 1.105 57.490 56.400 -0.026 0.000 0.804 100 E CB 0.003 29.670 29.700 -0.055 0.000 0.745 100 E HN 0.321 nan 8.360 nan 0.000 0.458 101 L N 0.392 121.606 121.223 -0.014 0.000 2.095 101 L HA -0.006 4.334 4.340 0.001 0.000 0.204 101 L C 2.398 179.268 176.870 0.000 0.000 1.080 101 L CA 0.828 55.662 54.840 -0.010 0.000 0.759 101 L CB -0.085 41.974 42.059 -0.000 0.000 0.914 101 L HN 0.226 nan 8.230 nan 0.000 0.439 102 I N -4.028 116.548 120.570 0.010 0.000 4.154 102 I HA 0.504 4.675 4.170 0.001 0.000 0.334 102 I C 0.841 176.965 176.117 0.012 0.000 1.371 102 I CA 0.093 61.401 61.300 0.013 0.000 1.110 102 I CB 0.296 38.309 38.000 0.021 0.000 1.085 102 I HN 0.185 nan 8.210 nan 0.000 0.398 103 G N 2.138 110.944 108.800 0.010 0.000 2.568 103 G HA2 -0.270 3.690 3.960 0.001 0.000 0.222 103 G HA3 -0.270 3.690 3.960 0.001 0.000 0.222 103 G C 0.042 174.952 174.900 0.016 0.000 1.321 103 G CA 0.261 45.367 45.100 0.010 0.000 0.893 103 G HN 0.254 nan 8.290 nan 0.000 0.569 104 D N 0.303 120.712 120.400 0.015 0.000 2.158 104 D HA -0.157 4.484 4.640 0.001 0.000 0.197 104 D C 2.603 178.918 176.300 0.025 0.000 0.995 104 D CA 1.882 55.894 54.000 0.019 0.000 0.846 104 D CB -0.280 40.529 40.800 0.016 0.000 0.941 104 D HN 0.748 nan 8.370 nan 0.000 0.456 105 I N -1.363 119.222 120.570 0.024 0.000 2.567 105 I HA -0.138 4.032 4.170 0.001 0.000 0.257 105 I C 2.253 178.393 176.117 0.039 0.000 1.184 105 I CA 1.107 62.424 61.300 0.029 0.000 1.451 105 I CB -0.384 37.631 38.000 0.024 0.000 1.089 105 I HN -0.176 nan 8.210 nan 0.000 0.441 106 A N 2.176 125.020 122.820 0.040 0.000 1.978 106 A HA -0.078 4.242 4.320 0.001 0.000 0.220 106 A C 2.398 180.019 177.584 0.062 0.000 1.170 106 A CA 1.739 53.807 52.037 0.051 0.000 0.636 106 A CB -1.605 17.423 19.000 0.046 0.000 0.810 106 A HN 0.564 nan 8.150 nan 0.000 0.448 107 G N -0.511 108.322 108.800 0.054 0.000 2.498 107 G HA2 -0.183 3.777 3.960 0.001 0.000 0.219 107 G HA3 -0.183 3.777 3.960 0.001 0.000 0.219 107 G C 1.457 176.406 174.900 0.081 0.000 1.119 107 G CA 0.927 46.065 45.100 0.063 0.000 0.766 107 G HN 0.629 nan 8.290 nan 0.000 0.552 108 K N -0.559 119.885 120.400 0.074 0.000 2.459 108 K HA 0.184 4.505 4.320 0.001 0.000 0.193 108 K C 2.039 178.708 176.600 0.116 0.000 1.030 108 K CA -0.180 56.154 56.287 0.079 0.000 1.026 108 K CB 0.053 32.584 32.500 0.052 0.000 0.809 108 K HN 0.244 nan 8.250 nan 0.000 0.504 109 L N 0.743 122.049 121.223 0.138 0.000 2.083 109 L HA -0.165 4.175 4.340 0.001 0.000 0.209 109 L C 1.868 178.923 176.870 0.309 0.000 1.083 109 L CA 1.858 56.817 54.840 0.198 0.000 0.752 109 L CB -0.382 41.777 42.059 0.167 0.000 0.899 109 L HN 0.297 nan 8.230 nan 0.000 0.433 110 H N -1.188 117.950 119.070 0.114 0.000 2.543 110 H HA 0.069 4.625 4.556 0.001 0.000 0.269 110 H C -0.129 175.258 175.328 0.100 0.000 1.005 110 H CA -0.002 56.089 56.048 0.071 0.000 1.146 110 H CB 0.016 29.787 29.762 0.015 0.000 1.353 110 H HN 0.261 nan 8.280 nan 0.000 0.595 111 T N 0.231 114.886 114.554 0.168 0.000 2.792 111 T HA 0.076 4.426 4.350 0.001 0.000 0.286 111 T C 1.212 175.981 174.700 0.115 0.000 0.970 111 T CA 0.878 63.034 62.100 0.094 0.000 1.187 111 T CB 0.312 69.231 68.868 0.085 0.000 0.915 111 T HN 0.664 nan 8.240 nan 0.000 0.529 112 G N 3.114 111.911 108.800 -0.004 0.000 2.184 112 G HA2 -0.277 3.683 3.960 0.001 0.000 0.264 112 G HA3 -0.277 3.683 3.960 0.001 0.000 0.264 112 G C 0.235 175.085 174.900 -0.082 0.000 0.975 112 G CA 0.407 45.509 45.100 0.004 0.000 0.642 112 G HN 0.803 nan 8.290 nan 0.000 0.536 113 R N 0.117 120.427 120.500 -0.316 0.000 2.643 113 R HA 0.705 5.045 4.340 0.001 0.000 0.272 113 R C -0.206 175.685 176.300 -0.681 0.000 0.995 113 R CA 0.217 55.975 56.100 -0.569 0.000 1.032 113 R CB 1.394 31.202 30.300 -0.821 0.000 1.126 113 R HN 0.278 nan 8.270 nan 0.000 0.505 114 S N 0.246 115.704 115.700 -0.403 0.000 2.599 114 S HA 0.358 4.828 4.470 0.001 0.000 0.294 114 S C 0.525 175.048 174.600 -0.128 0.000 1.094 114 S CA -0.845 57.208 58.200 -0.244 0.000 0.931 114 S CB 1.594 64.674 63.200 -0.201 0.000 1.093 114 S HN 0.661 nan 8.310 nan 0.000 0.488 115 R N 2.024 122.463 120.500 -0.103 0.000 2.189 115 R HA 0.013 4.353 4.340 0.001 0.000 0.223 115 R C 1.207 177.318 176.300 -0.315 0.000 1.092 115 R CA 1.000 56.950 56.100 -0.250 0.000 0.989 115 R CB -1.171 29.002 30.300 -0.213 0.000 0.876 115 R HN 0.597 nan 8.270 nan 0.000 0.457 116 N N 1.376 119.892 118.700 -0.306 0.000 2.084 116 N HA -0.154 4.587 4.740 0.001 0.000 0.190 116 N C 1.242 176.650 175.510 -0.171 0.000 1.030 116 N CA 1.780 54.647 53.050 -0.306 0.000 0.849 116 N CB -0.386 37.917 38.487 -0.308 0.000 1.012 116 N HN 0.398 nan 8.380 nan 0.000 0.423 117 D N 0.032 120.331 120.400 -0.167 0.000 2.289 117 D HA -0.110 4.530 4.640 0.001 0.000 0.207 117 D C 1.689 177.902 176.300 -0.146 0.000 0.966 117 D CA 0.480 54.399 54.000 -0.136 0.000 0.868 117 D CB -0.435 40.284 40.800 -0.134 0.000 0.943 117 D HN 0.373 nan 8.370 nan 0.000 0.514 118 Q N 0.579 120.259 119.800 -0.199 0.000 2.046 118 Q HA -0.103 4.237 4.340 0.001 0.000 0.200 118 Q C 2.204 178.111 176.000 -0.156 0.000 0.975 118 Q CA 1.212 56.890 55.803 -0.208 0.000 0.836 118 Q CB -0.047 28.505 28.738 -0.311 0.000 0.896 118 Q HN 0.136 nan 8.270 nan 0.000 0.428 119 V N 0.513 120.307 119.914 -0.199 0.000 2.343 119 V HA -0.187 3.933 4.120 0.001 0.000 0.247 119 V C 2.270 178.417 176.094 0.089 0.000 1.051 119 V CA 1.804 64.106 62.300 0.003 0.000 1.036 119 V CB -0.103 31.748 31.823 0.046 0.000 0.654 119 V HN 0.557 nan 8.190 nan 0.000 0.451 120 V N -2.838 117.110 119.914 0.055 0.000 2.667 120 V HA -0.132 3.988 4.120 0.001 0.000 0.252 120 V C 2.276 178.367 176.094 -0.004 0.000 1.065 120 V CA 2.240 64.585 62.300 0.076 0.000 1.083 120 V CB -1.470 30.383 31.823 0.050 0.000 0.692 120 V HN 0.531 nan 8.190 nan 0.000 0.468 121 T N 0.776 115.327 114.554 -0.006 0.000 2.737 121 T HA -0.138 4.213 4.350 0.001 0.000 0.265 121 T C 1.634 176.415 174.700 0.136 0.000 1.038 121 T CA 1.980 64.105 62.100 0.043 0.000 1.144 121 T CB -0.462 68.428 68.868 0.037 0.000 0.866 121 T HN 0.539 nan 8.240 nan 0.000 0.434 122 D N 1.026 121.499 120.400 0.121 0.000 2.104 122 D HA -0.061 4.579 4.640 0.001 0.000 0.194 122 D C 1.991 178.408 176.300 0.194 0.000 0.994 122 D CA 0.646 54.736 54.000 0.150 0.000 0.830 122 D CB -0.543 40.354 40.800 0.161 0.000 0.959 122 D HN 0.142 nan 8.370 nan 0.000 0.452 123 L N 1.009 122.352 121.223 0.199 0.000 2.083 123 L HA -0.125 4.216 4.340 0.001 0.000 0.209 123 L C 1.822 178.856 176.870 0.273 0.000 1.083 123 L CA 1.744 56.744 54.840 0.268 0.000 0.752 123 L CB -0.251 41.989 42.059 0.302 0.000 0.899 123 L HN -0.096 nan 8.230 nan 0.000 0.433 124 K N -0.898 119.574 120.400 0.119 0.000 2.103 124 K HA -0.093 4.228 4.320 0.001 0.000 0.204 124 K C 2.085 178.762 176.600 0.128 0.000 1.052 124 K CA 1.348 57.661 56.287 0.043 0.000 0.945 124 K CB -0.254 32.190 32.500 -0.094 0.000 0.722 124 K HN 0.316 nan 8.250 nan 0.000 0.443 125 L N 0.102 121.420 121.223 0.158 0.000 2.046 125 L HA -0.182 4.158 4.340 0.001 0.000 0.208 125 L C 2.383 179.273 176.870 0.032 0.000 1.077 125 L CA 1.134 55.983 54.840 0.015 0.000 0.747 125 L CB -0.387 41.683 42.059 0.018 0.000 0.896 125 L HN 0.116 nan 8.230 nan 0.000 0.432 126 F N 0.357 120.313 119.950 0.009 0.000 2.102 126 F HA -0.240 4.287 4.527 0.001 0.000 0.298 126 F C 2.433 178.230 175.800 -0.004 0.000 1.105 126 F CA 1.595 59.605 58.000 0.015 0.000 1.239 126 F CB -0.127 38.928 39.000 0.092 0.000 0.991 126 F HN -0.070 nan 8.300 nan 0.000 0.474 127 M N 0.054 119.692 119.600 0.062 0.000 2.229 127 M HA -0.175 4.306 4.480 0.001 0.000 0.264 127 M C 2.298 178.480 176.300 -0.196 0.000 1.063 127 M CA 1.548 56.772 55.300 -0.126 0.000 1.114 127 M CB -0.416 32.181 32.600 -0.006 0.000 1.387 127 M HN 0.111 nan 8.290 nan 0.000 0.420 128 K N 0.609 120.932 120.400 -0.129 0.000 2.026 128 K HA -0.195 4.125 4.320 0.001 0.000 0.208 128 K C 1.884 178.376 176.600 -0.180 0.000 1.048 128 K CA 1.354 57.560 56.287 -0.135 0.000 0.929 128 K CB -0.177 32.242 32.500 -0.135 0.000 0.713 128 K HN 0.279 nan 8.250 nan 0.000 0.439 129 N N 0.170 118.734 118.700 -0.226 0.000 2.188 129 N HA -0.095 4.645 4.740 0.001 0.000 0.184 129 N C 1.546 176.894 175.510 -0.270 0.000 1.018 129 N CA 1.241 54.151 53.050 -0.233 0.000 0.858 129 N CB 0.041 38.386 38.487 -0.237 0.000 0.989 129 N HN 0.120 nan 8.380 nan 0.000 0.426 130 S N 0.757 116.217 115.700 -0.399 0.000 2.368 130 S HA -0.028 4.443 4.470 0.001 0.000 0.224 130 S C 1.842 176.353 174.600 -0.148 0.000 1.029 130 S CA 0.418 58.414 58.200 -0.340 0.000 0.988 130 S CB -0.080 62.817 63.200 -0.505 0.000 0.838 130 S HN 0.183 nan 8.310 nan 0.000 0.462 131 L N 1.444 122.580 121.223 -0.145 0.000 2.201 131 L HA 0.035 4.376 4.340 0.001 0.000 0.212 131 L C 2.485 179.318 176.870 -0.062 0.000 1.105 131 L CA 1.171 55.977 54.840 -0.057 0.000 0.775 131 L CB -1.054 40.956 42.059 -0.080 0.000 0.913 131 L HN 0.277 nan 8.230 nan 0.000 0.440 132 S N -0.793 114.848 115.700 -0.098 0.000 2.371 132 S HA -0.089 4.382 4.470 0.001 0.000 0.224 132 S C 2.019 176.558 174.600 -0.101 0.000 1.029 132 S CA 0.663 58.806 58.200 -0.095 0.000 0.978 132 S CB -0.020 63.116 63.200 -0.106 0.000 0.833 132 S HN 0.244 nan 8.310 nan 0.000 0.466 133 I N 1.951 122.456 120.570 -0.107 0.000 2.226 133 I HA -0.113 4.057 4.170 0.001 0.000 0.245 133 I C 2.253 178.298 176.117 -0.120 0.000 1.100 133 I CA 1.206 62.423 61.300 -0.139 0.000 1.374 133 I CB -1.323 36.634 38.000 -0.071 0.000 1.057 133 I HN 0.368 nan 8.210 nan 0.000 0.413 134 I N 0.188 120.779 120.570 0.035 0.000 2.226 134 I HA -0.308 3.862 4.170 0.001 0.000 0.245 134 I C 2.808 178.988 176.117 0.105 0.000 1.100 134 I CA 1.414 62.810 61.300 0.160 0.000 1.374 134 I CB -0.365 37.793 38.000 0.263 0.000 1.057 134 I HN 0.208 nan 8.210 nan 0.000 0.413 135 S N 0.265 115.983 115.700 0.030 0.000 2.374 135 S HA -0.232 4.239 4.470 0.001 0.000 0.227 135 S C 2.085 176.677 174.600 -0.014 0.000 1.037 135 S CA 2.413 60.619 58.200 0.010 0.000 1.024 135 S CB -0.373 62.806 63.200 -0.034 0.000 0.861 135 S HN 0.432 nan 8.310 nan 0.000 0.456 136 T N 1.268 115.763 114.554 -0.097 0.000 2.720 136 T HA -0.104 4.246 4.350 0.001 0.000 0.268 136 T C 1.602 176.246 174.700 -0.092 0.000 1.037 136 T CA 1.641 63.654 62.100 -0.145 0.000 1.144 136 T CB -0.506 68.201 68.868 -0.268 0.000 0.864 136 T HN 0.547 nan 8.240 nan 0.000 0.444 137 H N 0.139 119.232 119.070 0.039 0.000 2.436 137 H HA 0.132 4.689 4.556 0.001 0.000 0.294 137 H C 2.202 177.555 175.328 0.043 0.000 1.048 137 H CA 0.694 56.766 56.048 0.040 0.000 1.353 137 H CB -0.589 29.202 29.762 0.048 0.000 1.414 137 H HN 0.196 nan 8.280 nan 0.000 0.536 138 L N 0.808 122.136 121.223 0.175 0.000 2.027 138 L HA -0.116 4.224 4.340 0.001 0.000 0.206 138 L C 2.020 178.940 176.870 0.084 0.000 1.074 138 L CA 1.291 56.211 54.840 0.132 0.000 0.745 138 L CB -0.802 41.355 42.059 0.164 0.000 0.898 138 L HN 0.090 nan 8.230 nan 0.000 0.433 139 L N -0.471 120.790 121.223 0.063 0.000 2.131 139 L HA -0.182 4.158 4.340 0.001 0.000 0.210 139 L C 2.577 179.467 176.870 0.034 0.000 1.092 139 L CA 1.623 56.485 54.840 0.037 0.000 0.759 139 L CB -1.368 40.702 42.059 0.018 0.000 0.903 139 L HN 0.487 nan 8.230 nan 0.000 0.435 140 Q N 0.127 119.958 119.800 0.051 0.000 2.119 140 Q HA -0.148 4.193 4.340 0.001 0.000 0.201 140 Q C 2.259 178.281 176.000 0.037 0.000 0.972 140 Q CA 1.271 57.104 55.803 0.050 0.000 0.847 140 Q CB -0.210 28.578 28.738 0.082 0.000 0.903 140 Q HN 0.415 nan 8.270 nan 0.000 0.433 141 L N -0.246 121.001 121.223 0.039 0.000 1.994 141 L HA -0.190 4.150 4.340 0.001 0.000 0.208 141 L C 2.148 179.015 176.870 -0.005 0.000 1.071 141 L CA 1.598 56.444 54.840 0.009 0.000 0.745 141 L CB -0.337 41.727 42.059 0.009 0.000 0.892 141 L HN 0.372 nan 8.230 nan 0.000 0.431 142 I N -0.034 120.539 120.570 0.004 0.000 2.163 142 I HA -0.385 3.785 4.170 0.001 0.000 0.243 142 I C 2.647 178.756 176.117 -0.012 0.000 1.085 142 I CA 1.588 62.882 61.300 -0.010 0.000 1.347 142 I CB -0.425 37.575 38.000 0.000 0.000 1.044 142 I HN 0.295 nan 8.210 nan 0.000 0.408 143 K N 0.628 121.028 120.400 0.000 0.000 2.063 143 K HA -0.193 4.127 4.320 0.001 0.000 0.208 143 K C 2.074 178.674 176.600 0.000 0.000 1.048 143 K CA 2.035 58.323 56.287 0.001 0.000 0.928 143 K CB -0.109 32.397 32.500 0.010 0.000 0.713 143 K HN 0.260 nan 8.250 nan 0.000 0.442 144 T N 1.801 116.356 114.554 0.001 0.000 2.746 144 T HA -0.127 4.223 4.350 0.001 0.000 0.267 144 T C 1.815 176.511 174.700 -0.007 0.000 1.039 144 T CA 1.373 63.474 62.100 0.002 0.000 1.142 144 T CB -0.134 68.733 68.868 -0.001 0.000 0.866 144 T HN 0.154 nan 8.240 nan 0.000 0.444 145 L N 0.563 121.769 121.223 -0.029 0.000 2.017 145 L HA -0.089 4.251 4.340 0.001 0.000 0.208 145 L C 2.701 179.539 176.870 -0.052 0.000 1.073 145 L CA 0.967 55.774 54.840 -0.055 0.000 0.745 145 L CB -0.654 41.355 42.059 -0.083 0.000 0.894 145 L HN 0.132 nan 8.230 nan 0.000 0.432 146 V N -0.198 119.691 119.914 -0.041 0.000 2.295 146 V HA -0.294 3.826 4.120 0.001 0.000 0.246 146 V C 2.374 178.460 176.094 -0.013 0.000 1.049 146 V CA 1.882 64.162 62.300 -0.033 0.000 1.024 146 V CB -0.535 31.273 31.823 -0.025 0.000 0.648 146 V HN 0.462 nan 8.190 nan 0.000 0.447 147 E N -0.218 119.982 120.200 0.000 0.000 2.118 147 E HA -0.277 4.073 4.350 0.001 0.000 0.195 147 E C 2.411 179.029 176.600 0.030 0.000 0.992 147 E CA 1.428 57.838 56.400 0.016 0.000 0.804 147 E CB -0.191 29.522 29.700 0.022 0.000 0.741 147 E HN 0.466 nan 8.360 nan 0.000 0.458 148 R N 0.556 121.075 120.500 0.032 0.000 2.115 148 R HA -0.054 4.286 4.340 0.001 0.000 0.226 148 R C 2.162 178.501 176.300 0.065 0.000 1.100 148 R CA 1.104 57.245 56.100 0.068 0.000 0.980 148 R CB -0.087 30.267 30.300 0.090 0.000 0.875 148 R HN 0.121 nan 8.270 nan 0.000 0.445 149 A N 0.509 123.330 122.820 0.002 0.000 1.930 149 A HA -0.031 4.289 4.320 0.001 0.000 0.217 149 A C 2.290 179.891 177.584 0.027 0.000 1.175 149 A CA 1.440 53.466 52.037 -0.018 0.000 0.627 149 A CB -0.646 18.312 19.000 -0.070 0.000 0.815 149 A HN 0.499 nan 8.150 nan 0.000 0.443 150 A N -0.251 122.584 122.820 0.025 0.000 1.930 150 A HA 0.002 4.323 4.320 0.001 0.000 0.217 150 A C 1.958 179.572 177.584 0.051 0.000 1.175 150 A CA 1.491 53.547 52.037 0.032 0.000 0.627 150 A CB -0.352 18.662 19.000 0.024 0.000 0.815 150 A HN 0.400 nan 8.150 nan 0.000 0.443 151 I N -0.238 120.371 120.570 0.064 0.000 2.584 151 I HA -0.065 4.106 4.170 0.001 0.000 0.255 151 I C 1.085 177.260 176.117 0.097 0.000 1.145 151 I CA 1.025 62.369 61.300 0.074 0.000 1.462 151 I CB -1.041 37.005 38.000 0.075 0.000 1.102 151 I HN 0.406 nan 8.210 nan 0.000 0.433 152 E N 0.463 120.749 120.200 0.142 0.000 2.411 152 E HA 0.043 4.393 4.350 0.001 0.000 0.204 152 E C 1.464 178.183 176.600 0.198 0.000 1.059 152 E CA -0.262 56.255 56.400 0.196 0.000 1.112 152 E CB 0.257 30.167 29.700 0.350 0.000 1.168 152 E HN 0.143 nan 8.360 nan 0.000 0.445 153 I N 1.333 121.978 120.570 0.125 0.000 2.567 153 I HA -0.213 3.957 4.170 0.001 0.000 0.257 153 I C 1.058 177.233 176.117 0.097 0.000 1.184 153 I CA 1.524 62.884 61.300 0.101 0.000 1.451 153 I CB 0.141 38.181 38.000 0.067 0.000 1.089 153 I HN 0.021 nan 8.210 nan 0.000 0.441 154 D N -0.345 120.109 120.400 0.089 0.000 2.354 154 D HA 0.111 4.751 4.640 0.001 0.000 0.209 154 D C 0.640 176.981 176.300 0.070 0.000 1.015 154 D CA 0.220 54.263 54.000 0.072 0.000 0.867 154 D CB 0.081 40.913 40.800 0.053 0.000 0.933 154 D HN 0.090 nan 8.370 nan 0.000 0.520 155 V N 2.870 122.839 119.914 0.091 0.000 2.540 155 V HA -0.019 4.101 4.120 0.001 0.000 0.297 155 V C 0.488 176.617 176.094 0.059 0.000 1.024 155 V CA 0.229 62.558 62.300 0.049 0.000 1.105 155 V CB 0.749 32.591 31.823 0.032 0.000 0.938 155 V HN 0.014 nan 8.190 nan 0.000 0.482 156 I N 6.639 127.196 120.570 -0.023 0.000 2.530 156 I HA 0.663 4.834 4.170 0.001 0.000 0.297 156 I C -0.125 175.886 176.117 -0.175 0.000 1.011 156 I CA -0.287 60.986 61.300 -0.043 0.000 1.107 156 I CB 1.571 39.560 38.000 -0.018 0.000 1.285 156 I HN 0.630 nan 8.210 nan 0.000 0.436 157 L N 4.832 125.939 121.223 -0.194 0.000 2.654 157 L HA 0.769 5.109 4.340 0.001 0.000 0.257 157 L C -3.079 173.631 176.870 -0.266 0.000 1.093 157 L CA -1.953 52.673 54.840 -0.357 0.000 0.903 157 L CB 2.221 43.928 42.059 -0.588 0.000 1.520 157 L HN 0.124 nan 8.230 nan 0.000 0.402 158 P HA 0.281 nan 4.420 nan 0.000 0.271 158 P C -0.595 176.566 177.300 -0.232 0.000 1.216 158 P CA 0.098 63.019 63.100 -0.299 0.000 0.776 158 P CB 0.985 32.436 31.700 -0.414 0.000 0.881 159 G N 1.697 110.362 108.800 -0.225 0.000 2.367 159 G HA2 0.528 4.488 3.960 0.001 0.000 0.314 159 G HA3 0.528 4.488 3.960 0.001 0.000 0.314 159 G C -1.592 173.210 174.900 -0.164 0.000 1.130 159 G CA -0.185 44.888 45.100 -0.045 0.000 0.864 159 G HN 0.321 nan 8.290 nan 0.000 0.486 160 Y N 0.581 120.970 120.300 0.148 0.000 2.485 160 Y HA 0.486 5.036 4.550 0.001 0.000 0.345 160 Y C -0.293 175.666 175.900 0.098 0.000 0.998 160 Y CA -0.929 57.266 58.100 0.157 0.000 1.059 160 Y CB 2.676 41.279 38.460 0.238 0.000 1.234 160 Y HN 0.599 nan 8.280 nan 0.000 0.461 161 D N 1.145 121.685 120.400 0.233 0.000 2.964 161 D HA 0.212 4.853 4.640 0.001 0.000 0.234 161 D C -0.389 175.985 176.300 0.124 0.000 1.223 161 D CA -0.637 53.392 54.000 0.048 0.000 0.889 161 D CB 0.952 41.742 40.800 -0.017 0.000 1.609 161 D HN 0.845 nan 8.370 nan 0.000 0.523 162 H N 1.482 120.638 119.070 0.143 0.000 2.958 162 H HA -0.179 4.377 4.556 0.000 0.000 0.274 162 H C 0.887 176.312 175.328 0.161 0.000 1.184 162 H CA 0.725 56.847 56.048 0.123 0.000 1.143 162 H CB -1.193 28.631 29.762 0.103 0.000 1.297 162 H HN 0.520 nan 8.280 nan 0.000 0.356 163 L N -1.152 120.239 121.223 0.281 0.000 4.179 163 L HA -0.267 4.073 4.340 0.001 0.000 0.418 163 L C -0.006 177.148 176.870 0.472 0.000 1.168 163 L CA 1.593 56.621 54.840 0.314 0.000 0.972 163 L CB -0.454 41.713 42.059 0.181 0.000 2.005 163 L HN 0.430 nan 8.230 nan 0.000 0.935 164 Q N 0.556 120.634 119.800 0.464 0.000 2.342 164 Q HA 0.371 4.712 4.340 0.001 0.000 0.267 164 Q C -0.002 176.136 176.000 0.230 0.000 1.038 164 Q CA -0.770 55.246 55.803 0.354 0.000 0.832 164 Q CB 1.700 30.575 28.738 0.228 0.000 1.323 164 Q HN 0.245 nan 8.270 nan 0.000 0.448 165 K N 1.134 121.565 120.400 0.052 0.000 2.453 165 K HA 0.094 4.414 4.320 0.001 0.000 0.280 165 K C 0.294 176.822 176.600 -0.119 0.000 1.045 165 K CA 0.222 56.352 56.287 -0.260 0.000 1.059 165 K CB 0.597 32.991 32.500 -0.177 0.000 0.901 165 K HN 0.671 nan 8.250 nan 0.000 0.475 166 A N 3.952 126.678 122.820 -0.157 0.000 2.050 166 A HA 0.010 4.330 4.320 0.001 0.000 0.214 166 A C 0.247 177.817 177.584 -0.023 0.000 1.577 166 A CA 0.510 52.526 52.037 -0.036 0.000 0.752 166 A CB 0.292 19.292 19.000 0.001 0.000 1.220 166 A HN 0.801 nan 8.150 nan 0.000 0.543 167 Q N -1.241 118.527 119.800 -0.052 0.000 2.534 167 Q HA 0.556 4.897 4.340 0.001 0.000 0.290 167 Q C -3.234 172.741 176.000 -0.042 0.000 0.991 167 Q CA -2.189 53.613 55.803 -0.001 0.000 0.783 167 Q CB 1.613 30.377 28.738 0.042 0.000 1.470 167 Q HN 0.051 nan 8.270 nan 0.000 0.406 168 P HA 0.273 nan 4.420 nan 0.000 0.271 168 P C -0.829 176.464 177.300 -0.012 0.000 1.218 168 P CA -0.005 63.083 63.100 -0.019 0.000 0.780 168 P CB 0.421 32.177 31.700 0.093 0.000 0.901 169 I N -2.055 118.499 120.570 -0.027 0.000 3.102 169 I HA 0.585 4.755 4.170 0.001 0.000 0.310 169 I C -0.806 175.333 176.117 0.037 0.000 1.246 169 I CA -1.659 59.638 61.300 -0.006 0.000 0.979 169 I CB 2.362 40.358 38.000 -0.007 0.000 1.267 169 I HN 0.023 nan 8.210 nan 0.000 0.451 170 R N 2.190 122.729 120.500 0.065 0.000 2.390 170 R HA 0.118 4.458 4.340 0.001 0.000 0.291 170 R C 0.619 177.030 176.300 0.186 0.000 1.070 170 R CA -0.382 55.784 56.100 0.110 0.000 1.014 170 R CB 1.085 31.441 30.300 0.094 0.000 1.007 170 R HN 0.888 nan 8.270 nan 0.000 0.466 171 W N 3.358 124.661 121.300 0.006 0.000 2.331 171 W HA -0.238 4.422 4.660 0.000 0.000 0.291 171 W C 0.604 177.221 176.519 0.163 0.000 1.214 171 W CA 1.533 58.908 57.345 0.050 0.000 1.228 171 W CB 0.099 29.550 29.460 -0.015 0.000 1.135 171 W HN 0.502 nan 8.180 nan 0.000 0.537 172 S N 0.590 116.330 115.700 0.066 0.000 2.402 172 S HA -0.285 4.185 4.470 0.001 0.000 0.229 172 S C 1.572 176.123 174.600 -0.082 0.000 1.021 172 S CA 1.856 60.008 58.200 -0.080 0.000 0.974 172 S CB -0.432 62.778 63.200 0.017 0.000 0.800 172 S HN 0.356 nan 8.310 nan 0.000 0.484 173 Q N 0.767 120.565 119.800 -0.005 0.000 2.119 173 Q HA -0.062 4.278 4.340 0.001 0.000 0.201 173 Q C 1.722 177.697 176.000 -0.041 0.000 0.972 173 Q CA 1.438 57.228 55.803 -0.021 0.000 0.847 173 Q CB -0.498 28.245 28.738 0.008 0.000 0.903 173 Q HN 0.564 nan 8.270 nan 0.000 0.433 174 F N -0.106 119.761 119.950 -0.139 0.000 2.113 174 F HA -0.101 4.426 4.527 0.000 0.000 0.297 174 F C 1.457 177.120 175.800 -0.229 0.000 1.103 174 F CA 1.351 59.266 58.000 -0.143 0.000 1.248 174 F CB -0.210 38.773 39.000 -0.028 0.000 0.999 174 F HN 0.107 nan 8.300 nan 0.000 0.475 175 L N 0.021 120.996 121.223 -0.412 0.000 2.046 175 L HA -0.218 4.122 4.340 0.001 0.000 0.208 175 L C 2.460 179.128 176.870 -0.336 0.000 1.077 175 L CA 1.169 55.724 54.840 -0.475 0.000 0.747 175 L CB -0.761 41.024 42.059 -0.457 0.000 0.896 175 L HN 0.251 nan 8.230 nan 0.000 0.432 176 L N -0.499 120.569 121.223 -0.259 0.000 2.217 176 L HA -0.142 4.198 4.340 0.001 0.000 0.211 176 L C 2.848 179.572 176.870 -0.244 0.000 1.107 176 L CA 1.117 55.839 54.840 -0.197 0.000 0.783 176 L CB -0.487 41.492 42.059 -0.133 0.000 0.919 176 L HN 0.381 nan 8.230 nan 0.000 0.442 177 S N -1.395 114.098 115.700 -0.344 0.000 2.382 177 S HA -0.220 4.250 4.470 0.001 0.000 0.228 177 S C 1.946 176.244 174.600 -0.503 0.000 1.027 177 S CA 0.928 58.882 58.200 -0.411 0.000 0.991 177 S CB -0.500 62.413 63.200 -0.477 0.000 0.823 177 S HN 0.457 nan 8.310 nan 0.000 0.469 178 H N 1.597 120.433 119.070 -0.391 0.000 2.395 178 H HA 0.274 4.830 4.556 0.001 0.000 0.299 178 H C 2.694 177.858 175.328 -0.273 0.000 1.070 178 H CA 1.227 57.059 56.048 -0.361 0.000 1.356 178 H CB -0.815 28.698 29.762 -0.416 0.000 1.401 178 H HN 0.595 nan 8.280 nan 0.000 0.524 179 A N 0.811 123.550 122.820 -0.134 0.000 1.902 179 A HA -0.114 4.206 4.320 0.001 0.000 0.217 179 A C 2.812 180.330 177.584 -0.110 0.000 1.181 179 A CA 1.515 53.489 52.037 -0.104 0.000 0.623 179 A CB -0.872 18.070 19.000 -0.097 0.000 0.818 179 A HN 0.196 nan 8.150 nan 0.000 0.443 180 V N -0.156 119.672 119.914 -0.142 0.000 2.287 180 V HA -0.279 3.841 4.120 0.001 0.000 0.248 180 V C 3.069 179.077 176.094 -0.144 0.000 1.053 180 V CA 2.060 64.284 62.300 -0.126 0.000 1.027 180 V CB -1.209 30.532 31.823 -0.136 0.000 0.646 180 V HN 0.628 nan 8.190 nan 0.000 0.447 181 A N -0.414 122.260 122.820 -0.244 0.000 1.902 181 A HA -0.146 4.175 4.320 0.001 0.000 0.217 181 A C 2.174 179.614 177.584 -0.239 0.000 1.181 181 A CA 1.724 53.525 52.037 -0.392 0.000 0.623 181 A CB -0.538 17.963 19.000 -0.831 0.000 0.818 181 A HN 0.520 nan 8.150 nan 0.000 0.443 182 L N -0.659 120.481 121.223 -0.139 0.000 2.201 182 L HA -0.121 4.219 4.340 0.001 0.000 0.212 182 L C 2.566 179.465 176.870 0.048 0.000 1.105 182 L CA 1.456 56.306 54.840 0.016 0.000 0.775 182 L CB -0.686 41.377 42.059 0.006 0.000 0.913 182 L HN 0.332 nan 8.230 nan 0.000 0.440 183 T N -0.816 113.740 114.554 0.003 0.000 2.867 183 T HA -0.109 4.241 4.350 0.001 0.000 0.268 183 T C 2.027 176.754 174.700 0.044 0.000 1.057 183 T CA 0.945 63.055 62.100 0.018 0.000 1.136 183 T CB -0.081 68.780 68.868 -0.011 0.000 0.874 183 T HN 0.303 nan 8.240 nan 0.000 0.466 184 R N 0.999 121.527 120.500 0.047 0.000 2.115 184 R HA -0.047 4.294 4.340 0.001 0.000 0.230 184 R C 2.068 178.454 176.300 0.144 0.000 1.111 184 R CA 1.180 57.327 56.100 0.078 0.000 0.976 184 R CB -0.234 30.111 30.300 0.076 0.000 0.870 184 R HN 0.348 nan 8.270 nan 0.000 0.445 185 D N 0.111 120.630 120.400 0.198 0.000 2.117 185 D HA -0.142 4.499 4.640 0.001 0.000 0.197 185 D C 1.829 178.326 176.300 0.329 0.000 0.987 185 D CA 1.295 55.480 54.000 0.308 0.000 0.829 185 D CB -0.225 40.750 40.800 0.292 0.000 0.961 185 D HN 0.042 nan 8.370 nan 0.000 0.460 186 S N 0.034 115.850 115.700 0.193 0.000 2.402 186 S HA -0.181 4.290 4.470 0.001 0.000 0.229 186 S C 1.812 176.434 174.600 0.035 0.000 1.021 186 S CA 1.271 59.535 58.200 0.107 0.000 0.974 186 S CB -0.003 63.239 63.200 0.071 0.000 0.800 186 S HN 0.234 nan 8.310 nan 0.000 0.484 187 E N 0.277 120.507 120.200 0.050 0.000 2.072 187 E HA -0.096 4.255 4.350 0.001 0.000 0.191 187 E C 2.400 179.008 176.600 0.013 0.000 0.985 187 E CA 0.744 57.158 56.400 0.024 0.000 0.801 187 E CB -0.030 29.690 29.700 0.033 0.000 0.750 187 E HN 0.439 nan 8.360 nan 0.000 0.452 188 R N 0.284 120.817 120.500 0.055 0.000 2.096 188 R HA -0.108 4.233 4.340 0.001 0.000 0.235 188 R C 2.626 178.863 176.300 -0.105 0.000 1.127 188 R CA 1.052 57.184 56.100 0.053 0.000 0.968 188 R CB -0.359 30.059 30.300 0.195 0.000 0.861 188 R HN 0.284 nan 8.270 nan 0.000 0.440 189 L N 0.122 121.163 121.223 -0.304 0.000 2.042 189 L HA -0.136 4.204 4.340 0.001 0.000 0.210 189 L C 2.211 178.915 176.870 -0.277 0.000 1.076 189 L CA 1.883 56.336 54.840 -0.646 0.000 0.749 189 L CB -0.641 41.016 42.059 -0.670 0.000 0.893 189 L HN 0.280 nan 8.230 nan 0.000 0.432 190 G N -0.987 107.725 108.800 -0.148 0.000 2.418 190 G HA2 -0.265 3.695 3.960 0.001 0.000 0.217 190 G HA3 -0.265 3.695 3.960 0.001 0.000 0.217 190 G C 1.316 176.184 174.900 -0.054 0.000 1.158 190 G CA 0.851 45.902 45.100 -0.083 0.000 0.771 190 G HN 0.504 nan 8.290 nan 0.000 0.545 191 E N -0.202 119.974 120.200 -0.040 0.000 2.077 191 E HA -0.074 4.277 4.350 0.001 0.000 0.193 191 E C 2.726 179.328 176.600 0.003 0.000 0.989 191 E CA 0.931 57.326 56.400 -0.008 0.000 0.800 191 E CB -0.103 29.602 29.700 0.009 0.000 0.746 191 E HN 0.288 nan 8.360 nan 0.000 0.452 192 V N 1.428 121.336 119.914 -0.010 0.000 2.358 192 V HA -0.266 3.855 4.120 0.001 0.000 0.246 192 V C 2.334 178.448 176.094 0.033 0.000 1.047 192 V CA 1.771 64.093 62.300 0.036 0.000 1.035 192 V CB -0.397 31.456 31.823 0.050 0.000 0.658 192 V HN 0.197 nan 8.190 nan 0.000 0.452 193 K N -0.070 120.318 120.400 -0.020 0.000 2.063 193 K HA -0.235 4.086 4.320 0.001 0.000 0.208 193 K C 2.302 178.906 176.600 0.005 0.000 1.048 193 K CA 1.356 57.632 56.287 -0.018 0.000 0.928 193 K CB -0.064 32.403 32.500 -0.055 0.000 0.713 193 K HN 0.265 nan 8.250 nan 0.000 0.442 194 K N 0.538 120.941 120.400 0.005 0.000 2.032 194 K HA -0.164 4.156 4.320 0.001 0.000 0.209 194 K C 2.169 178.786 176.600 0.029 0.000 1.048 194 K CA 1.518 57.813 56.287 0.015 0.000 0.927 194 K CB -0.246 32.261 32.500 0.011 0.000 0.712 194 K HN 0.249 nan 8.250 nan 0.000 0.441 195 R N 0.250 120.772 120.500 0.037 0.000 2.189 195 R HA 0.101 4.442 4.340 0.001 0.000 0.218 195 R C 2.349 178.668 176.300 0.031 0.000 1.074 195 R CA 0.447 56.571 56.100 0.041 0.000 0.991 195 R CB -0.089 30.250 30.300 0.064 0.000 0.883 195 R HN 0.177 nan 8.270 nan 0.000 0.457 196 I N 0.690 121.289 120.570 0.047 0.000 2.500 196 I HA -0.173 3.997 4.170 0.001 0.000 0.252 196 I C 1.076 177.233 176.117 0.065 0.000 1.142 196 I CA 0.616 61.925 61.300 0.015 0.000 1.451 196 I CB -0.074 37.959 38.000 0.055 0.000 1.093 196 I HN 0.045 nan 8.210 nan 0.000 0.430 197 N N 1.211 119.975 118.700 0.106 0.000 2.652 197 N HA 0.052 4.793 4.740 0.001 0.000 0.259 197 N C -0.967 174.706 175.510 0.271 0.000 1.240 197 N CA 0.211 53.405 53.050 0.241 0.000 0.951 197 N CB -0.129 38.422 38.487 0.106 0.000 1.281 197 N HN -0.094 nan 8.380 nan 0.000 0.507 198 V N 1.625 121.579 119.914 0.068 0.000 2.483 198 V HA 0.285 4.406 4.120 0.001 0.000 0.297 198 V C -0.116 175.579 176.094 -0.666 0.000 1.027 198 V CA -1.185 61.008 62.300 -0.177 0.000 0.855 198 V CB 1.737 33.480 31.823 -0.133 0.000 0.995 198 V HN 0.138 nan 8.190 nan 0.000 0.424 199 L N 9.162 129.828 121.223 -0.929 0.000 2.477 199 L HA 0.376 4.716 4.340 0.001 0.000 0.272 199 L C -1.444 175.075 176.870 -0.584 0.000 1.157 199 L CA -0.209 53.900 54.840 -1.219 0.000 0.889 199 L CB 0.966 42.600 42.059 -0.708 0.000 1.158 199 L HN 0.437 nan 8.230 nan 0.000 0.473 200 P HA 0.025 nan 4.420 nan 0.000 0.259 200 P C 0.203 177.395 177.300 -0.181 0.000 1.233 200 P CA -0.210 62.727 63.100 -0.270 0.000 0.827 200 P CB 0.333 31.887 31.700 -0.242 0.000 1.154 201 L N 1.307 122.425 121.223 -0.175 0.000 2.485 201 L HA 0.356 4.696 4.340 0.001 0.000 0.275 201 L C 1.289 178.131 176.870 -0.047 0.000 1.207 201 L CA 1.927 56.712 54.840 -0.092 0.000 0.855 201 L CB -0.794 41.251 42.059 -0.024 0.000 1.114 201 L HN 0.399 nan 8.230 nan 0.000 0.485 202 G N 2.316 111.099 108.800 -0.027 0.000 2.131 202 G HA2 -0.246 3.714 3.960 0.001 0.000 0.223 202 G HA3 -0.246 3.714 3.960 0.001 0.000 0.223 202 G C 0.744 175.631 174.900 -0.022 0.000 0.990 202 G CA 0.301 45.414 45.100 0.021 0.000 0.671 202 G HN 0.683 nan 8.290 nan 0.000 0.521 203 S N -0.271 115.396 115.700 -0.054 0.000 2.511 203 S HA 0.479 4.950 4.470 0.001 0.000 0.214 203 S C 1.874 176.440 174.600 -0.057 0.000 0.997 203 S CA 1.223 59.392 58.200 -0.053 0.000 0.908 203 S CB 0.318 63.483 63.200 -0.059 0.000 0.803 203 S HN 2.232 nan 8.310 nan 0.000 0.504 204 G N 1.786 110.538 108.800 -0.080 0.000 2.575 204 G HA2 -0.208 3.752 3.960 0.001 0.000 0.267 204 G HA3 -0.208 3.752 3.960 0.001 0.000 0.267 204 G C 0.869 175.706 174.900 -0.105 0.000 1.264 204 G CA -0.048 44.994 45.100 -0.098 0.000 0.935 204 G HN 0.660 nan 8.290 nan 0.000 0.568 205 A N -1.460 121.303 122.820 -0.095 0.000 1.970 205 A HA 0.453 4.773 4.320 0.001 0.000 0.216 205 A C 2.096 179.651 177.584 -0.048 0.000 1.170 205 A CA 3.276 55.258 52.037 -0.093 0.000 0.645 205 A CB -0.307 18.645 19.000 -0.080 0.000 0.816 205 A HN 2.287 nan 8.150 nan 0.000 0.447 206 L N -6.833 114.372 121.223 -0.031 0.000 3.727 206 L HA 0.473 4.814 4.340 0.001 0.000 0.408 206 L C 1.398 178.264 176.870 -0.008 0.000 0.948 206 L CA 0.797 55.634 54.840 -0.006 0.000 1.783 206 L CB -0.274 41.794 42.059 0.015 0.000 2.507 206 L HN -0.005 nan 8.230 nan 0.000 0.572 207 A N 0.533 123.345 122.820 -0.014 0.000 2.267 207 A HA 0.787 5.107 4.320 0.001 0.000 0.213 207 A C 1.266 178.841 177.584 -0.015 0.000 1.192 207 A CA 0.768 52.798 52.037 -0.012 0.000 0.851 207 A CB -0.494 18.500 19.000 -0.010 0.000 0.881 207 A HN 1.431 nan 8.150 nan 0.000 0.494 208 G N -0.576 108.211 108.800 -0.022 0.000 2.353 208 G HA2 0.006 3.967 3.960 0.001 0.000 0.615 208 G HA3 0.006 3.967 3.960 0.001 0.000 0.615 208 G C -0.755 174.132 174.900 -0.022 0.000 1.280 208 G CA -0.362 44.725 45.100 -0.021 0.000 1.000 208 G HN 0.595 nan 8.290 nan 0.000 0.516 209 N N 1.033 119.727 118.700 -0.010 0.000 2.472 209 N HA 0.613 5.353 4.740 0.001 0.000 0.277 209 N C -0.269 175.242 175.510 0.002 0.000 1.081 209 N CA -1.078 51.975 53.050 0.005 0.000 0.973 209 N CB 1.492 40.003 38.487 0.039 0.000 1.105 209 N HN 0.358 nan 8.380 nan 0.000 0.470 210 P HA 0.043 nan 4.420 nan 0.000 0.245 210 P C 0.054 177.353 177.300 -0.002 0.000 1.206 210 P CA 0.710 63.807 63.100 -0.004 0.000 0.781 210 P CB 0.376 32.070 31.700 -0.010 0.000 0.994 211 L N -0.136 121.090 121.223 0.004 0.000 3.017 211 L HA 0.264 4.604 4.340 0.001 0.000 0.255 211 L C 0.139 177.002 176.870 -0.012 0.000 1.247 211 L CA -0.208 54.629 54.840 -0.005 0.000 1.038 211 L CB -0.593 41.463 42.059 -0.005 0.000 1.380 211 L HN -0.130 nan 8.230 nan 0.000 0.548 212 D N 1.114 121.509 120.400 -0.008 0.000 2.751 212 D HA -0.239 4.401 4.640 0.001 0.000 0.233 212 D C 0.232 176.521 176.300 -0.018 0.000 1.149 212 D CA 0.461 54.455 54.000 -0.011 0.000 0.682 212 D CB -0.624 40.167 40.800 -0.014 0.000 1.068 212 D HN 0.175 nan 8.370 nan 0.000 0.429 213 I N 0.888 121.450 120.570 -0.015 0.000 2.880 213 I HA -0.022 4.148 4.170 0.001 0.000 0.296 213 I C 0.570 176.674 176.117 -0.022 0.000 1.220 213 I CA 0.271 61.551 61.300 -0.033 0.000 1.435 213 I CB 0.527 38.526 38.000 -0.001 0.000 1.339 213 I HN 0.043 nan 8.210 nan 0.000 0.583 214 D N 7.136 127.515 120.400 -0.035 0.000 2.435 214 D HA 0.101 4.741 4.640 0.001 0.000 0.230 214 D C 1.068 177.365 176.300 -0.005 0.000 1.215 214 D CA 0.070 54.058 54.000 -0.020 0.000 0.947 214 D CB 0.380 41.166 40.800 -0.024 0.000 1.048 214 D HN 0.486 nan 8.370 nan 0.000 0.512 215 R N 2.280 122.781 120.500 0.002 0.000 2.148 215 R HA -0.150 4.190 4.340 0.001 0.000 0.227 215 R C 1.566 177.873 176.300 0.011 0.000 1.103 215 R CA 0.847 56.952 56.100 0.009 0.000 0.983 215 R CB 0.131 30.428 30.300 -0.005 0.000 0.874 215 R HN 0.359 nan 8.270 nan 0.000 0.451 216 E N 1.572 121.776 120.200 0.006 0.000 2.110 216 E HA -0.190 4.160 4.350 0.001 0.000 0.193 216 E C 1.914 178.527 176.600 0.021 0.000 0.988 216 E CA 1.290 57.697 56.400 0.012 0.000 0.804 216 E CB -0.159 29.544 29.700 0.006 0.000 0.745 216 E HN 0.237 nan 8.360 nan 0.000 0.458 217 M N -0.259 119.349 119.600 0.014 0.000 2.117 217 M HA -0.130 4.351 4.480 0.001 0.000 0.262 217 M C 1.874 178.195 176.300 0.036 0.000 1.065 217 M CA 1.459 56.769 55.300 0.016 0.000 1.114 217 M CB -0.077 32.523 32.600 -0.001 0.000 1.361 217 M HN 0.246 nan 8.290 nan 0.000 0.408 218 L N -0.357 120.895 121.223 0.047 0.000 2.083 218 L HA -0.216 4.125 4.340 0.001 0.000 0.209 218 L C 2.816 179.761 176.870 0.125 0.000 1.083 218 L CA 1.354 56.247 54.840 0.087 0.000 0.752 218 L CB -0.825 41.294 42.059 0.100 0.000 0.899 218 L HN 0.409 nan 8.230 nan 0.000 0.433 219 R N -0.323 120.240 120.500 0.106 0.000 2.073 219 R HA -0.196 4.144 4.340 0.001 0.000 0.234 219 R C 2.532 178.914 176.300 0.136 0.000 1.134 219 R CA 1.966 58.160 56.100 0.157 0.000 0.952 219 R CB -0.317 30.038 30.300 0.090 0.000 0.850 219 R HN 0.212 nan 8.270 nan 0.000 0.433 220 S N 0.287 116.032 115.700 0.076 0.000 2.356 220 S HA -0.122 4.348 4.470 0.001 0.000 0.223 220 S C 1.735 176.357 174.600 0.037 0.000 1.032 220 S CA 1.190 59.418 58.200 0.046 0.000 1.005 220 S CB -0.134 63.083 63.200 0.029 0.000 0.867 220 S HN 0.359 nan 8.310 nan 0.000 0.449 221 E N 0.912 121.139 120.200 0.045 0.000 2.077 221 E HA -0.066 4.284 4.350 0.001 0.000 0.193 221 E C 1.975 178.589 176.600 0.024 0.000 0.989 221 E CA 0.980 57.400 56.400 0.034 0.000 0.800 221 E CB -0.363 29.364 29.700 0.045 0.000 0.746 221 E HN 0.538 nan 8.360 nan 0.000 0.452 222 L N 0.126 121.382 121.223 0.055 0.000 2.558 222 L HA 0.032 4.372 4.340 0.001 0.000 0.225 222 L C 0.250 177.011 176.870 -0.181 0.000 1.128 222 L CA 0.250 55.081 54.840 -0.015 0.000 0.868 222 L CB -0.184 41.962 42.059 0.145 0.000 1.006 222 L HN 0.087 nan 8.230 nan 0.000 0.454 223 E N -1.146 119.007 120.200 -0.078 0.000 2.868 223 E HA -0.224 4.127 4.350 0.001 0.000 0.278 223 E C -0.171 176.345 176.600 -0.140 0.000 1.009 223 E CA 0.151 56.485 56.400 -0.109 0.000 0.856 223 E CB -1.731 27.883 29.700 -0.143 0.000 1.428 223 E HN 0.288 nan 8.360 nan 0.000 0.423 224 F N -0.144 119.791 119.950 -0.024 0.000 2.380 224 F HA 0.331 4.859 4.527 0.000 0.000 0.325 224 F C 1.721 177.505 175.800 -0.027 0.000 1.136 224 F CA 0.279 58.261 58.000 -0.032 0.000 1.171 224 F CB 0.687 39.666 39.000 -0.036 0.000 1.230 224 F HN 0.035 nan 8.300 nan 0.000 0.554 225 A N 1.134 124.073 122.820 0.199 0.000 1.970 225 A HA 0.130 4.451 4.320 0.001 0.000 0.216 225 A C 0.706 178.333 177.584 0.071 0.000 1.170 225 A CA 1.379 53.473 52.037 0.094 0.000 0.645 225 A CB -0.427 18.611 19.000 0.063 0.000 0.816 225 A HN 0.688 nan 8.150 nan 0.000 0.447 226 S N -1.941 113.799 115.700 0.066 0.000 2.727 226 S HA 0.641 5.112 4.470 0.001 0.000 0.278 226 S C -0.632 173.945 174.600 -0.038 0.000 1.186 226 S CA -0.259 57.950 58.200 0.014 0.000 0.836 226 S CB 0.455 63.655 63.200 -0.000 0.000 1.186 226 S HN 0.931 nan 8.310 nan 0.000 0.499 227 I N -0.335 120.200 120.570 -0.058 0.000 2.797 227 I HA 0.771 4.941 4.170 0.001 0.000 0.307 227 I C 0.028 176.083 176.117 -0.104 0.000 1.033 227 I CA -0.901 60.335 61.300 -0.108 0.000 1.071 227 I CB 2.129 40.084 38.000 -0.076 0.000 1.255 227 I HN 0.826 nan 8.210 nan 0.000 0.445 228 S N 4.258 119.877 115.700 -0.135 0.000 2.560 228 S HA 0.248 4.719 4.470 0.001 0.000 0.284 228 S C 0.821 175.383 174.600 -0.064 0.000 1.327 228 S CA -0.635 57.503 58.200 -0.103 0.000 1.055 228 S CB 0.996 64.123 63.200 -0.120 0.000 0.868 228 S HN 0.714 nan 8.310 nan 0.000 0.506 229 L N 1.172 122.368 121.223 -0.044 0.000 2.179 229 L HA 0.153 4.494 4.340 0.001 0.000 0.208 229 L C 1.041 177.897 176.870 -0.023 0.000 1.096 229 L CA 0.761 55.584 54.840 -0.029 0.000 0.779 229 L CB -0.602 41.446 42.059 -0.019 0.000 0.922 229 L HN 0.785 nan 8.230 nan 0.000 0.443 230 N N -1.165 117.521 118.700 -0.023 0.000 2.430 230 N HA 0.068 4.808 4.740 0.001 0.000 0.290 230 N C 0.866 176.366 175.510 -0.017 0.000 1.063 230 N CA 0.066 53.107 53.050 -0.015 0.000 0.883 230 N CB 1.452 39.935 38.487 -0.007 0.000 1.465 230 N HN -0.022 nan 8.380 nan 0.000 0.493 231 S N 3.565 119.254 115.700 -0.018 0.000 2.383 231 S HA -0.236 4.235 4.470 0.001 0.000 0.229 231 S C 1.649 176.245 174.600 -0.006 0.000 1.030 231 S CA 0.983 59.172 58.200 -0.019 0.000 1.002 231 S CB -0.315 62.873 63.200 -0.020 0.000 0.829 231 S HN 0.677 nan 8.310 nan 0.000 0.467 232 M N 1.514 121.115 119.600 0.002 0.000 2.099 232 M HA -0.066 4.415 4.480 0.001 0.000 0.262 232 M C 2.300 178.614 176.300 0.024 0.000 1.067 232 M CA 2.060 57.369 55.300 0.015 0.000 1.124 232 M CB -0.607 32.001 32.600 0.014 0.000 1.353 232 M HN 0.412 nan 8.290 nan 0.000 0.410 233 D N 0.407 120.817 120.400 0.017 0.000 2.117 233 D HA -0.114 4.527 4.640 0.001 0.000 0.198 233 D C 1.879 178.199 176.300 0.033 0.000 0.982 233 D CA 1.693 55.709 54.000 0.026 0.000 0.828 233 D CB 0.086 40.896 40.800 0.017 0.000 0.967 233 D HN 0.257 nan 8.370 nan 0.000 0.464 234 A N -0.216 122.610 122.820 0.010 0.000 1.940 234 A HA -0.125 4.195 4.320 0.001 0.000 0.219 234 A C 2.200 179.799 177.584 0.026 0.000 1.176 234 A CA 1.263 53.297 52.037 -0.005 0.000 0.631 234 A CB -0.663 18.308 19.000 -0.049 0.000 0.814 234 A HN 0.364 nan 8.150 nan 0.000 0.446 235 I N -0.017 120.576 120.570 0.037 0.000 2.584 235 I HA -0.103 4.067 4.170 0.001 0.000 0.255 235 I C 2.622 178.825 176.117 0.143 0.000 1.145 235 I CA 1.678 63.022 61.300 0.074 0.000 1.462 235 I CB 0.010 38.041 38.000 0.051 0.000 1.102 235 I HN 0.455 nan 8.210 nan 0.000 0.433 236 S N -0.268 115.499 115.700 0.111 0.000 2.483 236 S HA 0.050 4.521 4.470 0.001 0.000 0.221 236 S C 0.816 175.464 174.600 0.079 0.000 1.030 236 S CA -0.321 57.937 58.200 0.097 0.000 0.925 236 S CB -0.596 62.640 63.200 0.060 0.000 0.795 236 S HN 0.455 nan 8.310 nan 0.000 0.511 237 E N 1.264 121.523 120.200 0.097 0.000 2.383 237 E HA 0.355 4.705 4.350 0.001 0.000 0.264 237 E C 0.154 176.842 176.600 0.146 0.000 1.050 237 E CA -0.576 55.884 56.400 0.101 0.000 0.896 237 E CB 0.438 30.206 29.700 0.112 0.000 0.982 237 E HN 0.014 nan 8.360 nan 0.000 0.424 238 R N 2.404 122.919 120.500 0.025 0.000 2.642 238 R HA 0.118 4.458 4.340 0.001 0.000 0.435 238 R C -0.409 175.761 176.300 -0.218 0.000 1.046 238 R CA -0.214 55.768 56.100 -0.197 0.000 1.103 238 R CB 0.024 30.182 30.300 -0.236 0.000 1.425 238 R HN 0.633 nan 8.270 nan 0.000 0.586 239 D N 0.820 121.225 120.400 0.008 0.000 2.133 239 D HA -0.203 4.437 4.640 0.001 0.000 0.195 239 D C 1.619 177.960 176.300 0.068 0.000 0.997 239 D CA 1.482 55.511 54.000 0.049 0.000 0.840 239 D CB -0.228 40.642 40.800 0.117 0.000 0.947 239 D HN 0.373 nan 8.370 nan 0.000 0.452 240 F N -0.379 119.605 119.950 0.057 0.000 2.269 240 F HA -0.105 4.423 4.527 0.001 0.000 0.301 240 F C 1.940 177.813 175.800 0.122 0.000 1.082 240 F CA 0.525 58.572 58.000 0.078 0.000 1.360 240 F CB -0.821 38.212 39.000 0.056 0.000 1.041 240 F HN -0.150 nan 8.300 nan 0.000 0.512 241 V N 0.565 120.097 119.914 -0.635 0.000 2.302 241 V HA -0.194 3.927 4.120 0.001 0.000 0.243 241 V C 2.566 178.637 176.094 -0.037 0.000 1.036 241 V CA 1.434 63.529 62.300 -0.341 0.000 1.020 241 V CB -0.619 30.903 31.823 -0.501 0.000 0.657 241 V HN 0.336 nan 8.190 nan 0.000 0.453 242 V N 0.086 119.949 119.914 -0.085 0.000 2.252 242 V HA -0.329 3.791 4.120 0.001 0.000 0.249 242 V C 2.516 178.641 176.094 0.051 0.000 1.056 242 V CA 2.329 64.617 62.300 -0.020 0.000 1.022 242 V CB -0.717 31.089 31.823 -0.029 0.000 0.641 242 V HN 0.604 nan 8.190 nan 0.000 0.445 243 E N -0.744 119.512 120.200 0.093 0.000 2.070 243 E HA -0.286 4.064 4.350 0.001 0.000 0.197 243 E C 2.067 178.801 176.600 0.222 0.000 1.004 243 E CA 1.925 58.411 56.400 0.144 0.000 0.805 243 E CB -0.290 29.509 29.700 0.165 0.000 0.744 243 E HN 0.649 nan 8.360 nan 0.000 0.451 244 F N 1.465 121.491 119.950 0.126 0.000 2.134 244 F HA -0.152 4.375 4.527 0.000 0.000 0.299 244 F C 1.969 177.902 175.800 0.222 0.000 1.097 244 F CA 1.200 59.327 58.000 0.212 0.000 1.264 244 F CB -0.253 38.848 39.000 0.168 0.000 1.001 244 F HN -0.094 nan 8.300 nan 0.000 0.479 245 L N -0.586 120.609 121.223 -0.047 0.000 2.093 245 L HA -0.195 4.146 4.340 0.001 0.000 0.208 245 L C 2.480 179.255 176.870 -0.158 0.000 1.085 245 L CA 1.332 56.053 54.840 -0.198 0.000 0.755 245 L CB -0.920 41.098 42.059 -0.068 0.000 0.904 245 L HN 0.102 nan 8.230 nan 0.000 0.435 246 S N -0.029 115.645 115.700 -0.044 0.000 2.383 246 S HA -0.161 4.310 4.470 0.001 0.000 0.227 246 S C 1.750 176.316 174.600 -0.057 0.000 1.026 246 S CA 1.169 59.353 58.200 -0.026 0.000 0.981 246 S CB -0.355 62.862 63.200 0.027 0.000 0.818 246 S HN 0.443 nan 8.310 nan 0.000 0.472 247 F N 3.038 122.918 119.950 -0.117 0.000 2.102 247 F HA -0.051 4.476 4.527 0.001 0.000 0.298 247 F C 2.274 177.967 175.800 -0.179 0.000 1.105 247 F CA 1.108 59.041 58.000 -0.111 0.000 1.239 247 F CB -0.948 38.017 39.000 -0.057 0.000 0.991 247 F HN 0.155 nan 8.300 nan 0.000 0.474 248 A N -0.062 122.203 122.820 -0.925 0.000 1.933 248 A HA -0.139 4.181 4.320 0.001 0.000 0.218 248 A C 2.178 179.419 177.584 -0.572 0.000 1.175 248 A CA 2.246 53.702 52.037 -0.968 0.000 0.628 248 A CB -1.489 17.051 19.000 -0.766 0.000 0.814 248 A HN 0.511 nan 8.150 nan 0.000 0.444 249 T N 0.022 114.352 114.554 -0.373 0.000 2.737 249 T HA -0.042 4.309 4.350 0.001 0.000 0.265 249 T C 1.835 176.365 174.700 -0.283 0.000 1.038 249 T CA 1.178 63.142 62.100 -0.227 0.000 1.144 249 T CB -0.308 68.516 68.868 -0.073 0.000 0.866 249 T HN 0.340 nan 8.240 nan 0.000 0.434 250 L N 0.785 121.815 121.223 -0.321 0.000 2.083 250 L HA -0.050 4.290 4.340 0.001 0.000 0.209 250 L C 2.357 178.878 176.870 -0.581 0.000 1.083 250 L CA 0.972 55.571 54.840 -0.403 0.000 0.752 250 L CB -0.309 41.562 42.059 -0.313 0.000 0.899 250 L HN 0.254 nan 8.230 nan 0.000 0.433 251 L N -0.505 120.407 121.223 -0.519 0.000 2.046 251 L HA -0.235 4.105 4.340 0.001 0.000 0.208 251 L C 2.381 179.082 176.870 -0.282 0.000 1.077 251 L CA 1.865 56.462 54.840 -0.404 0.000 0.747 251 L CB -0.495 41.232 42.059 -0.553 0.000 0.896 251 L HN 0.183 nan 8.230 nan 0.000 0.432 252 M N -0.730 118.699 119.600 -0.286 0.000 2.229 252 M HA -0.140 4.340 4.480 0.001 0.000 0.264 252 M C 2.265 178.470 176.300 -0.159 0.000 1.063 252 M CA 1.171 56.361 55.300 -0.185 0.000 1.114 252 M CB -1.012 31.492 32.600 -0.160 0.000 1.387 252 M HN 0.263 nan 8.290 nan 0.000 0.420 253 I N -0.428 120.009 120.570 -0.221 0.000 2.179 253 I HA -0.296 3.874 4.170 0.001 0.000 0.242 253 I C 2.298 178.369 176.117 -0.078 0.000 1.088 253 I CA 1.690 62.882 61.300 -0.181 0.000 1.357 253 I CB -1.486 36.364 38.000 -0.249 0.000 1.051 253 I HN 0.414 nan 8.210 nan 0.000 0.409 254 H N 0.252 119.270 119.070 -0.088 0.000 2.319 254 H HA -0.129 4.427 4.556 0.001 0.000 0.299 254 H C 2.365 177.648 175.328 -0.075 0.000 1.092 254 H CA 0.937 56.951 56.048 -0.057 0.000 1.302 254 H CB -0.019 29.713 29.762 -0.050 0.000 1.373 254 H HN 0.226 nan 8.280 nan 0.000 0.497 255 L N 0.514 121.751 121.223 0.023 0.000 2.201 255 L HA -0.149 4.192 4.340 0.001 0.000 0.212 255 L C 2.677 179.499 176.870 -0.081 0.000 1.105 255 L CA 1.090 55.895 54.840 -0.060 0.000 0.775 255 L CB -0.340 41.677 42.059 -0.070 0.000 0.913 255 L HN 0.377 nan 8.230 nan 0.000 0.440 256 S N -0.266 115.395 115.700 -0.065 0.000 2.406 256 S HA -0.213 4.257 4.470 0.001 0.000 0.228 256 S C 1.990 176.551 174.600 -0.065 0.000 1.020 256 S CA 0.971 59.130 58.200 -0.069 0.000 0.965 256 S CB -0.170 62.988 63.200 -0.070 0.000 0.798 256 S HN 0.412 nan 8.310 nan 0.000 0.488 257 K N 0.791 121.170 120.400 -0.035 0.000 2.062 257 K HA 0.070 4.391 4.320 0.001 0.000 0.205 257 K C 2.359 178.929 176.600 -0.050 0.000 1.051 257 K CA 1.164 57.449 56.287 -0.005 0.000 0.941 257 K CB -0.293 32.252 32.500 0.075 0.000 0.719 257 K HN 0.473 nan 8.250 nan 0.000 0.440 258 M N 0.317 119.804 119.600 -0.189 0.000 2.175 258 M HA -0.085 4.396 4.480 0.001 0.000 0.264 258 M C 1.986 178.132 176.300 -0.257 0.000 1.063 258 M CA 1.548 56.546 55.300 -0.503 0.000 1.119 258 M CB -0.055 32.090 32.600 -0.759 0.000 1.377 258 M HN 0.284 nan 8.290 nan 0.000 0.415 259 A N 0.017 122.732 122.820 -0.175 0.000 1.898 259 A HA -0.218 4.103 4.320 0.001 0.000 0.216 259 A C 1.824 179.329 177.584 -0.131 0.000 1.181 259 A CA 2.043 54.003 52.037 -0.129 0.000 0.620 259 A CB -0.803 18.138 19.000 -0.098 0.000 0.819 259 A HN 0.623 nan 8.150 nan 0.000 0.442 260 E N 0.589 120.713 120.200 -0.127 0.000 2.058 260 E HA -0.217 4.133 4.350 0.001 0.000 0.194 260 E C 1.420 177.881 176.600 -0.232 0.000 0.997 260 E CA 1.814 58.128 56.400 -0.145 0.000 0.801 260 E CB -0.243 29.391 29.700 -0.110 0.000 0.746 260 E HN 0.541 nan 8.360 nan 0.000 0.450 261 D N -0.328 119.928 120.400 -0.240 0.000 2.092 261 D HA -0.154 4.486 4.640 0.001 0.000 0.193 261 D C 1.826 177.722 176.300 -0.675 0.000 0.994 261 D CA 0.952 54.671 54.000 -0.469 0.000 0.828 261 D CB -0.238 40.507 40.800 -0.092 0.000 0.963 261 D HN 0.194 nan 8.370 nan 0.000 0.450 262 L N 0.798 121.854 121.223 -0.279 0.000 2.093 262 L HA -0.055 4.285 4.340 0.001 0.000 0.208 262 L C 2.469 179.274 176.870 -0.107 0.000 1.085 262 L CA 0.875 55.653 54.840 -0.102 0.000 0.755 262 L CB -0.910 41.156 42.059 0.012 0.000 0.904 262 L HN 0.095 nan 8.230 nan 0.000 0.435 263 I N -0.912 119.570 120.570 -0.147 0.000 2.179 263 I HA -0.340 3.830 4.170 0.001 0.000 0.242 263 I C 2.393 178.406 176.117 -0.174 0.000 1.088 263 I CA 1.356 62.584 61.300 -0.121 0.000 1.357 263 I CB -0.150 37.782 38.000 -0.113 0.000 1.051 263 I HN 0.170 nan 8.210 nan 0.000 0.409 264 I N -0.457 119.926 120.570 -0.312 0.000 2.252 264 I HA -0.307 3.863 4.170 0.001 0.000 0.245 264 I C 2.349 178.175 176.117 -0.485 0.000 1.102 264 I CA 1.262 62.272 61.300 -0.484 0.000 1.385 264 I CB -0.433 37.152 38.000 -0.692 0.000 1.064 264 I HN 0.193 nan 8.210 nan 0.000 0.414 265 Y N 0.744 120.779 120.300 -0.441 0.000 2.403 265 Y HA -0.155 4.395 4.550 0.001 0.000 0.291 265 Y C 2.900 178.742 175.900 -0.097 0.000 1.143 265 Y CA 0.954 58.913 58.100 -0.235 0.000 1.257 265 Y CB -1.131 37.347 38.460 0.031 0.000 0.984 265 Y HN 0.286 nan 8.280 nan 0.000 0.550 266 S N -0.813 114.927 115.700 0.068 0.000 2.593 266 S HA 0.002 4.472 4.470 0.001 0.000 0.217 266 S C 0.937 175.550 174.600 0.021 0.000 0.966 266 S CA 0.040 58.272 58.200 0.054 0.000 0.914 266 S CB -1.065 62.162 63.200 0.045 0.000 0.776 266 S HN 0.378 nan 8.310 nan 0.000 0.523 267 T N 0.615 115.168 114.554 -0.002 0.000 2.856 267 T HA 0.289 4.639 4.350 0.001 0.000 0.306 267 T C 1.418 176.138 174.700 0.032 0.000 1.062 267 T CA 0.044 62.154 62.100 0.017 0.000 1.083 267 T CB 1.082 69.975 68.868 0.040 0.000 0.984 267 T HN 0.344 nan 8.240 nan 0.000 0.542 268 S N 0.606 116.319 115.700 0.022 0.000 2.402 268 S HA -0.123 4.348 4.470 0.001 0.000 0.229 268 S C 1.621 176.216 174.600 -0.008 0.000 1.021 268 S CA 0.795 58.998 58.200 0.006 0.000 0.974 268 S CB -0.596 62.605 63.200 0.002 0.000 0.800 268 S HN 0.790 nan 8.310 nan 0.000 0.484 269 E N 1.135 121.345 120.200 0.016 0.000 2.058 269 E HA 0.007 4.357 4.350 0.001 0.000 0.194 269 E C 1.545 178.060 176.600 -0.142 0.000 0.997 269 E CA 1.460 57.843 56.400 -0.028 0.000 0.801 269 E CB -0.475 29.245 29.700 0.033 0.000 0.746 269 E HN 0.612 nan 8.360 nan 0.000 0.450 270 F N -0.658 119.122 119.950 -0.283 0.000 2.149 270 F HA 0.150 4.677 4.527 0.000 0.000 0.294 270 F C 1.965 177.389 175.800 -0.627 0.000 1.095 270 F CA 1.277 58.913 58.000 -0.606 0.000 1.276 270 F CB -0.521 38.066 39.000 -0.690 0.000 1.023 270 F HN 0.186 nan 8.300 nan 0.000 0.480 271 G N -0.567 108.151 108.800 -0.137 0.000 2.203 271 G HA2 -0.322 3.638 3.960 0.001 0.000 0.263 271 G HA3 -0.322 3.638 3.960 0.001 0.000 0.263 271 G C 0.806 175.752 174.900 0.077 0.000 1.012 271 G CA 0.501 45.575 45.100 -0.043 0.000 0.749 271 G HN 0.254 nan 8.290 nan 0.000 0.512 272 F N -0.604 119.339 119.950 -0.011 0.000 2.367 272 F HA 0.401 4.928 4.527 0.001 0.000 0.298 272 F C 1.456 177.155 175.800 -0.168 0.000 1.094 272 F CA 0.818 58.731 58.000 -0.146 0.000 1.409 272 F CB -0.286 38.551 39.000 -0.272 0.000 1.064 272 F HN 0.482 nan 8.300 nan 0.000 0.528 273 L N -3.936 117.358 121.223 0.119 0.000 2.775 273 L HA 0.752 5.093 4.340 0.001 0.000 0.263 273 L C -0.923 175.989 176.870 0.070 0.000 1.017 273 L CA -0.847 54.026 54.840 0.056 0.000 0.891 273 L CB 1.880 43.981 42.059 0.069 0.000 1.482 273 L HN -0.337 nan 8.230 nan 0.000 0.410 274 T N 1.728 116.318 114.554 0.061 0.000 2.928 274 T HA 0.626 4.976 4.350 0.001 0.000 0.296 274 T C -0.287 174.460 174.700 0.078 0.000 1.000 274 T CA -0.528 61.609 62.100 0.062 0.000 0.989 274 T CB 1.330 70.225 68.868 0.046 0.000 1.005 274 T HN 0.632 nan 8.240 nan 0.000 0.442 275 L N 2.640 123.915 121.223 0.087 0.000 2.464 275 L HA 0.354 4.694 4.340 0.001 0.000 0.264 275 L C 1.441 178.384 176.870 0.122 0.000 1.199 275 L CA -0.473 54.436 54.840 0.115 0.000 0.818 275 L CB 0.613 42.746 42.059 0.123 0.000 1.102 275 L HN 0.825 nan 8.230 nan 0.000 0.473 276 S N -0.235 115.570 115.700 0.174 0.000 2.624 276 S HA 0.053 4.523 4.470 0.001 0.000 0.263 276 S C 0.638 175.298 174.600 0.101 0.000 1.287 276 S CA -0.710 57.576 58.200 0.144 0.000 0.990 276 S CB 1.064 64.382 63.200 0.196 0.000 0.950 276 S HN 0.564 nan 8.310 nan 0.000 0.561 277 D N 1.218 121.641 120.400 0.038 0.000 2.178 277 D HA -0.042 4.599 4.640 0.001 0.000 0.201 277 D C 2.173 178.430 176.300 -0.073 0.000 0.980 277 D CA 1.624 55.620 54.000 -0.006 0.000 0.842 277 D CB -0.852 39.938 40.800 -0.018 0.000 0.948 277 D HN 0.712 nan 8.370 nan 0.000 0.472 278 A N 0.045 122.765 122.820 -0.167 0.000 1.978 278 A HA -0.137 4.183 4.320 0.001 0.000 0.220 278 A C 1.452 178.665 177.584 -0.618 0.000 1.170 278 A CA 0.970 52.733 52.037 -0.457 0.000 0.636 278 A CB -0.635 17.937 19.000 -0.714 0.000 0.810 278 A HN 0.230 nan 8.150 nan 0.000 0.448 279 F N -0.143 119.814 119.950 0.011 0.000 2.668 279 F HA 0.267 4.794 4.527 0.000 0.000 0.301 279 F C 0.893 176.698 175.800 0.008 0.000 1.106 279 F CA 0.310 58.316 58.000 0.009 0.000 1.289 279 F CB 0.370 39.378 39.000 0.012 0.000 1.006 279 F HN 0.208 nan 8.300 nan 0.000 0.535 280 S N -1.073 114.685 115.700 0.096 0.000 2.671 280 S HA 0.820 5.291 4.470 0.001 0.000 0.277 280 S C -0.470 174.145 174.600 0.025 0.000 1.165 280 S CA -0.580 57.661 58.200 0.068 0.000 0.822 280 S CB 2.122 65.364 63.200 0.070 0.000 1.150 280 S HN 0.029 nan 8.310 nan 0.000 0.479 281 T N -2.109 112.457 114.554 0.021 0.000 2.906 281 T HA 0.915 5.266 4.350 0.001 0.000 0.295 281 T C 0.069 174.774 174.700 0.009 0.000 1.075 281 T CA -0.366 61.739 62.100 0.008 0.000 1.005 281 T CB 1.266 70.137 68.868 0.006 0.000 1.136 281 T HN 1.581 nan 8.240 nan 0.000 0.498 282 G N -0.247 108.556 108.800 0.004 0.000 2.687 282 G HA2 0.625 4.586 3.960 0.001 0.000 0.291 282 G HA3 0.625 4.586 3.960 0.001 0.000 0.291 282 G C -1.462 173.439 174.900 0.002 0.000 1.420 282 G CA -0.663 44.440 45.100 0.005 0.000 0.796 282 G HN 0.945 nan 8.290 nan 0.000 0.485 283 S N -1.524 114.178 115.700 0.002 0.000 2.536 283 S HA 0.536 5.006 4.470 0.001 0.000 0.298 283 S C 1.447 176.048 174.600 0.001 0.000 1.083 283 S CA 0.423 58.623 58.200 0.001 0.000 0.995 283 S CB 1.675 64.875 63.200 0.001 0.000 1.058 283 S HN 1.443 nan 8.310 nan 0.000 0.488 284 S N 3.701 119.401 115.700 0.000 0.000 2.489 284 S HA 0.001 4.471 4.470 0.001 0.000 0.228 284 S C 1.452 176.053 174.600 0.001 0.000 0.995 284 S CA 0.425 58.625 58.200 0.000 0.000 0.934 284 S CB -0.365 62.835 63.200 -0.000 0.000 0.771 284 S HN 0.573 nan 8.310 nan 0.000 0.522 285 L N 0.482 121.706 121.223 0.001 0.000 2.313 285 L HA 0.393 4.734 4.340 0.001 0.000 0.214 285 L C 1.229 178.099 176.870 0.001 0.000 1.119 285 L CA 1.273 56.114 54.840 0.001 0.000 0.809 285 L CB -0.547 41.512 42.059 0.001 0.000 0.933 285 L HN 0.419 nan 8.230 nan 0.000 0.449 286 M N 0.077 119.678 119.600 0.002 0.000 3.269 286 M HA 0.194 4.674 4.480 0.001 0.000 0.340 286 M C -1.575 174.727 176.300 0.003 0.000 1.662 286 M CA -0.939 54.362 55.300 0.002 0.000 0.547 286 M CB 1.478 34.080 32.600 0.002 0.000 1.449 286 M HN -0.169 nan 8.290 nan 0.000 0.459 287 P HA -0.236 nan 4.420 nan 0.000 0.218 287 P C 1.063 178.367 177.300 0.006 0.000 1.150 287 P CA 1.954 65.056 63.100 0.004 0.000 0.841 287 P CB 0.053 31.755 31.700 0.003 0.000 0.784 288 Q N 0.422 120.226 119.800 0.006 0.000 2.403 288 Q HA 0.032 4.372 4.340 0.001 0.000 0.203 288 Q C 1.306 177.312 176.000 0.009 0.000 0.932 288 Q CA 0.509 56.316 55.803 0.008 0.000 0.945 288 Q CB -0.675 28.066 28.738 0.006 0.000 1.045 288 Q HN 0.334 nan 8.270 nan 0.000 0.511 289 K N 1.510 121.915 120.400 0.008 0.000 2.267 289 K HA 0.299 4.619 4.320 0.001 0.000 0.282 289 K C -1.047 175.560 176.600 0.012 0.000 1.078 289 K CA -0.295 55.998 56.287 0.009 0.000 0.903 289 K CB 0.427 32.931 32.500 0.006 0.000 1.111 289 K HN 0.160 nan 8.250 nan 0.000 0.475 290 K N 3.642 124.052 120.400 0.016 0.000 2.339 290 K HA 0.262 4.582 4.320 0.001 0.000 0.264 290 K C -0.915 175.698 176.600 0.021 0.000 0.986 290 K CA -0.908 55.392 56.287 0.021 0.000 0.866 290 K CB 1.137 33.655 32.500 0.030 0.000 1.103 290 K HN 0.522 nan 8.250 nan 0.000 0.441 291 N N 4.325 123.037 118.700 0.019 0.000 2.422 291 N HA 0.125 4.865 4.740 0.001 0.000 0.264 291 N C -2.266 173.259 175.510 0.025 0.000 1.063 291 N CA -1.675 51.384 53.050 0.016 0.000 0.959 291 N CB 1.022 39.516 38.487 0.011 0.000 1.087 291 N HN 0.303 nan 8.380 nan 0.000 0.483 292 P HA 0.127 nan 4.420 nan 0.000 0.225 292 P C -0.386 176.932 177.300 0.030 0.000 1.768 292 P CA -0.160 62.959 63.100 0.031 0.000 0.943 292 P CB 0.089 31.797 31.700 0.014 0.000 1.936 293 D N 0.714 121.136 120.400 0.037 0.000 2.133 293 D HA -0.193 4.447 4.640 0.001 0.000 0.195 293 D C 2.230 178.557 176.300 0.045 0.000 0.997 293 D CA 2.111 56.131 54.000 0.033 0.000 0.840 293 D CB -0.404 40.415 40.800 0.032 0.000 0.947 293 D HN 0.306 nan 8.370 nan 0.000 0.452 294 S N 0.275 116.023 115.700 0.080 0.000 2.359 294 S HA -0.173 4.297 4.470 0.001 0.000 0.224 294 S C 2.083 176.701 174.600 0.030 0.000 1.035 294 S CA 0.849 59.105 58.200 0.094 0.000 1.018 294 S CB -0.792 62.518 63.200 0.183 0.000 0.876 294 S HN 0.285 nan 8.310 nan 0.000 0.448 295 L N 1.087 122.315 121.223 0.009 0.000 2.156 295 L HA 0.019 4.359 4.340 0.001 0.000 0.208 295 L C 2.849 179.702 176.870 -0.028 0.000 1.095 295 L CA 1.332 56.157 54.840 -0.026 0.000 0.770 295 L CB -0.557 41.480 42.059 -0.036 0.000 0.914 295 L HN 0.392 nan 8.230 nan 0.000 0.439 296 E N 0.199 120.391 120.200 -0.015 0.000 2.107 296 E HA -0.149 4.201 4.350 0.001 0.000 0.191 296 E C 2.347 178.939 176.600 -0.013 0.000 0.982 296 E CA 0.752 57.141 56.400 -0.017 0.000 0.809 296 E CB -0.003 29.691 29.700 -0.010 0.000 0.756 296 E HN 0.418 nan 8.360 nan 0.000 0.459 297 L N 0.742 121.964 121.223 -0.002 0.000 1.994 297 L HA -0.208 4.132 4.340 0.001 0.000 0.208 297 L C 2.448 179.312 176.870 -0.010 0.000 1.071 297 L CA 1.102 55.943 54.840 0.001 0.000 0.745 297 L CB -0.357 41.711 42.059 0.016 0.000 0.892 297 L HN 0.170 nan 8.230 nan 0.000 0.431 298 I N -0.519 120.040 120.570 -0.017 0.000 2.163 298 I HA -0.354 3.817 4.170 0.001 0.000 0.243 298 I C 2.851 178.943 176.117 -0.042 0.000 1.085 298 I CA 1.372 62.652 61.300 -0.034 0.000 1.347 298 I CB -0.356 37.614 38.000 -0.049 0.000 1.044 298 I HN 0.264 nan 8.210 nan 0.000 0.408 299 R N 1.073 121.547 120.500 -0.044 0.000 2.091 299 R HA -0.200 4.140 4.340 0.001 0.000 0.238 299 R C 2.509 178.786 176.300 -0.039 0.000 1.136 299 R CA 2.082 58.153 56.100 -0.049 0.000 0.959 299 R CB -0.240 30.030 30.300 -0.050 0.000 0.856 299 R HN 0.471 nan 8.270 nan 0.000 0.437 300 S N 0.188 115.872 115.700 -0.027 0.000 2.447 300 S HA -0.049 4.421 4.470 0.001 0.000 0.233 300 S C 1.492 176.084 174.600 -0.013 0.000 1.006 300 S CA 0.688 58.878 58.200 -0.017 0.000 0.957 300 S CB -0.008 63.186 63.200 -0.010 0.000 0.773 300 S HN 0.232 nan 8.310 nan 0.000 0.507 301 K N 1.635 122.023 120.400 -0.019 0.000 2.439 301 K HA 0.269 4.590 4.320 0.001 0.000 0.197 301 K C 2.211 178.796 176.600 -0.025 0.000 1.041 301 K CA 0.891 57.167 56.287 -0.018 0.000 0.970 301 K CB -0.883 31.603 32.500 -0.023 0.000 0.773 301 K HN 0.539 nan 8.250 nan 0.000 0.479 302 A N 1.162 123.962 122.820 -0.033 0.000 1.873 302 A HA -0.060 4.261 4.320 0.001 0.000 0.215 302 A C 2.473 180.071 177.584 0.024 0.000 1.186 302 A CA 1.948 53.961 52.037 -0.039 0.000 0.616 302 A CB -1.015 17.944 19.000 -0.068 0.000 0.823 302 A HN 0.347 nan 8.150 nan 0.000 0.442 303 G N -0.730 108.090 108.800 0.034 0.000 2.418 303 G HA2 -0.250 3.711 3.960 0.001 0.000 0.217 303 G HA3 -0.250 3.711 3.960 0.001 0.000 0.217 303 G C 1.745 176.697 174.900 0.088 0.000 1.158 303 G CA 1.008 46.168 45.100 0.101 0.000 0.771 303 G HN 0.545 nan 8.290 nan 0.000 0.545 304 R N -0.083 120.435 120.500 0.031 0.000 2.081 304 R HA -0.051 4.289 4.340 0.001 0.000 0.235 304 R C 2.565 178.860 176.300 -0.009 0.000 1.131 304 R CA 1.623 57.727 56.100 0.005 0.000 0.960 304 R CB -0.329 29.971 30.300 -0.000 0.000 0.856 304 R HN 0.284 nan 8.270 nan 0.000 0.436 305 V N 0.695 120.607 119.914 -0.004 0.000 2.379 305 V HA -0.195 3.925 4.120 0.001 0.000 0.245 305 V C 2.023 178.110 176.094 -0.012 0.000 1.044 305 V CA 1.614 63.895 62.300 -0.033 0.000 1.036 305 V CB -0.707 31.072 31.823 -0.074 0.000 0.664 305 V HN 0.331 nan 8.190 nan 0.000 0.453 306 F N 2.540 122.428 119.950 -0.104 0.000 2.161 306 F HA -0.072 4.455 4.527 0.000 0.000 0.300 306 F C 2.098 177.852 175.800 -0.076 0.000 1.089 306 F CA 1.482 59.425 58.000 -0.096 0.000 1.282 306 F CB -0.931 38.017 39.000 -0.087 0.000 1.010 306 F HN 0.130 nan 8.300 nan 0.000 0.485 307 G N 0.661 109.300 108.800 -0.269 0.000 2.422 307 G HA2 -0.234 3.727 3.960 0.001 0.000 0.218 307 G HA3 -0.234 3.727 3.960 0.001 0.000 0.218 307 G C 1.800 176.522 174.900 -0.298 0.000 1.146 307 G CA 0.536 45.425 45.100 -0.353 0.000 0.769 307 G HN 0.216 nan 8.290 nan 0.000 0.547 308 R N -0.264 120.118 120.500 -0.197 0.000 2.090 308 R HA 0.079 4.419 4.340 0.001 0.000 0.228 308 R C 2.433 178.627 176.300 -0.177 0.000 1.110 308 R CA 0.649 56.656 56.100 -0.155 0.000 0.973 308 R CB -1.174 29.070 30.300 -0.092 0.000 0.869 308 R HN 0.466 nan 8.270 nan 0.000 0.440 309 L N 0.888 121.992 121.223 -0.199 0.000 2.027 309 L HA -0.012 4.329 4.340 0.001 0.000 0.206 309 L C 2.164 178.899 176.870 -0.226 0.000 1.074 309 L CA 2.084 56.824 54.840 -0.167 0.000 0.745 309 L CB -0.790 41.213 42.059 -0.093 0.000 0.898 309 L HN 0.127 nan 8.230 nan 0.000 0.433 310 A N -1.337 121.234 122.820 -0.416 0.000 1.933 310 A HA -0.220 4.101 4.320 0.001 0.000 0.218 310 A C 2.515 179.956 177.584 -0.238 0.000 1.175 310 A CA 1.903 53.710 52.037 -0.384 0.000 0.628 310 A CB -1.180 17.440 19.000 -0.633 0.000 0.814 310 A HN 0.579 nan 8.150 nan 0.000 0.444 311 S N -0.336 115.226 115.700 -0.229 0.000 2.353 311 S HA -0.144 4.327 4.470 0.001 0.000 0.222 311 S C 1.893 176.411 174.600 -0.136 0.000 1.035 311 S CA 1.651 59.752 58.200 -0.165 0.000 1.025 311 S CB -0.400 62.707 63.200 -0.156 0.000 0.902 311 S HN 0.378 nan 8.310 nan 0.000 0.440 312 I N 1.699 122.188 120.570 -0.135 0.000 2.315 312 I HA -0.073 4.097 4.170 0.001 0.000 0.248 312 I C 2.314 178.369 176.117 -0.103 0.000 1.117 312 I CA 0.960 62.188 61.300 -0.119 0.000 1.404 312 I CB -1.579 36.349 38.000 -0.120 0.000 1.071 312 I HN 0.346 nan 8.210 nan 0.000 0.419 313 L N -0.245 120.919 121.223 -0.098 0.000 2.046 313 L HA -0.222 4.119 4.340 0.001 0.000 0.208 313 L C 2.688 179.515 176.870 -0.071 0.000 1.077 313 L CA 1.429 56.224 54.840 -0.075 0.000 0.747 313 L CB -0.429 41.591 42.059 -0.064 0.000 0.896 313 L HN 0.230 nan 8.230 nan 0.000 0.432 314 M N -0.768 118.782 119.600 -0.083 0.000 2.175 314 M HA -0.157 4.323 4.480 0.001 0.000 0.264 314 M C 2.107 178.365 176.300 -0.070 0.000 1.063 314 M CA 1.418 56.675 55.300 -0.071 0.000 1.119 314 M CB 0.082 32.636 32.600 -0.077 0.000 1.377 314 M HN 0.001 nan 8.290 nan 0.000 0.415 315 V N 0.991 120.856 119.914 -0.082 0.000 2.343 315 V HA -0.279 3.841 4.120 0.001 0.000 0.247 315 V C 2.256 178.303 176.094 -0.078 0.000 1.051 315 V CA 1.741 63.991 62.300 -0.083 0.000 1.036 315 V CB -0.643 31.123 31.823 -0.096 0.000 0.654 315 V HN 0.545 nan 8.190 nan 0.000 0.451 316 L N -0.705 120.472 121.223 -0.075 0.000 2.179 316 L HA 0.026 4.366 4.340 0.001 0.000 0.208 316 L C 1.517 178.357 176.870 -0.051 0.000 1.096 316 L CA 0.475 55.276 54.840 -0.066 0.000 0.779 316 L CB -0.349 41.672 42.059 -0.063 0.000 0.922 316 L HN 0.151 nan 8.230 nan 0.000 0.443 317 K N 1.672 122.044 120.400 -0.047 0.000 2.466 317 K HA -0.044 4.276 4.320 0.001 0.000 0.278 317 K C 0.925 177.505 176.600 -0.034 0.000 1.048 317 K CA 1.057 57.323 56.287 -0.036 0.000 1.088 317 K CB 0.204 32.683 32.500 -0.034 0.000 0.884 317 K HN 0.332 nan 8.250 nan 0.000 0.478 318 G N 3.669 112.452 108.800 -0.028 0.000 2.168 318 G HA2 -0.269 3.691 3.960 0.001 0.000 0.263 318 G HA3 -0.269 3.691 3.960 0.001 0.000 0.263 318 G C 0.261 175.143 174.900 -0.030 0.000 0.977 318 G CA 0.340 45.425 45.100 -0.026 0.000 0.659 318 G HN 0.556 nan 8.290 nan 0.000 0.533 319 L N 2.030 123.231 121.223 -0.038 0.000 2.426 319 L HA 0.375 4.715 4.340 0.001 0.000 0.271 319 L C -0.562 176.287 176.870 -0.035 0.000 1.169 319 L CA -1.536 53.277 54.840 -0.045 0.000 0.836 319 L CB 0.452 42.474 42.059 -0.063 0.000 1.112 319 L HN 0.115 nan 8.230 nan 0.000 0.465 320 P HA 0.222 nan 4.420 nan 0.000 0.278 320 P C -0.818 176.471 177.300 -0.019 0.000 1.266 320 P CA -0.589 62.498 63.100 -0.021 0.000 0.807 320 P CB 1.010 32.700 31.700 -0.017 0.000 1.094 321 S N -0.501 115.195 115.700 -0.006 0.000 2.592 321 S HA 0.302 4.772 4.470 0.001 0.000 0.271 321 S C 1.220 175.827 174.600 0.012 0.000 1.326 321 S CA -0.034 58.168 58.200 0.004 0.000 1.024 321 S CB 0.682 63.887 63.200 0.010 0.000 0.921 321 S HN 0.722 nan 8.310 nan 0.000 0.527 322 T N 0.074 114.647 114.554 0.032 0.000 3.556 322 T HA 0.217 4.567 4.350 0.001 0.000 0.204 322 T C 0.187 174.926 174.700 0.065 0.000 0.896 322 T CA -0.225 61.904 62.100 0.050 0.000 1.380 322 T CB -0.628 68.282 68.868 0.070 0.000 1.584 322 T HN 0.484 nan 8.240 nan 0.000 0.411 323 Y N 3.340 123.640 120.300 0.000 0.000 2.319 323 Y HA 0.535 5.086 4.550 0.001 0.000 0.328 323 Y C -0.388 175.513 175.900 0.002 0.000 1.133 323 Y CA -0.687 57.414 58.100 0.003 0.000 1.265 323 Y CB 0.367 38.828 38.460 0.001 0.000 1.218 323 Y HN 0.350 nan 8.280 nan 0.000 0.508 324 N N 4.436 122.658 118.700 -0.796 0.000 2.284 324 N HA 0.118 4.858 4.740 0.001 0.000 0.289 324 N C -0.149 174.871 175.510 -0.816 0.000 1.179 324 N CA -0.759 51.977 53.050 -0.523 0.000 0.774 324 N CB 2.041 40.369 38.487 -0.266 0.000 1.548 324 N HN 0.519 nan 8.380 nan 0.000 0.473 325 K N 0.820 121.005 120.400 -0.357 0.000 2.360 325 K HA -0.064 4.257 4.320 0.001 0.000 0.201 325 K C 0.305 176.806 176.600 -0.165 0.000 1.046 325 K CA 1.328 57.508 56.287 -0.178 0.000 0.945 325 K CB -0.072 32.430 32.500 0.003 0.000 0.750 325 K HN 0.454 nan 8.250 nan 0.000 0.464 326 D N 0.137 120.422 120.400 -0.192 0.000 2.190 326 D HA -0.184 4.456 4.640 0.001 0.000 0.200 326 D C 1.379 177.596 176.300 -0.138 0.000 0.992 326 D CA 1.113 55.031 54.000 -0.136 0.000 0.854 326 D CB -0.100 40.622 40.800 -0.130 0.000 0.936 326 D HN 0.215 nan 8.370 nan 0.000 0.462 327 L N 0.325 121.425 121.223 -0.204 0.000 2.261 327 L HA -0.183 4.157 4.340 0.001 0.000 0.216 327 L C 2.366 179.210 176.870 -0.043 0.000 1.114 327 L CA 0.802 55.560 54.840 -0.136 0.000 0.777 327 L CB -0.501 41.457 42.059 -0.168 0.000 0.910 327 L HN 0.105 nan 8.230 nan 0.000 0.440 328 Q N 0.320 120.118 119.800 -0.002 0.000 2.364 328 Q HA -0.193 4.148 4.340 0.001 0.000 0.209 328 Q C 1.730 177.730 176.000 0.000 0.000 0.977 328 Q CA 0.883 56.728 55.803 0.070 0.000 0.885 328 Q CB 0.189 29.004 28.738 0.128 0.000 0.941 328 Q HN 0.410 nan 8.270 nan 0.000 0.464 329 E N 1.140 121.301 120.200 -0.065 0.000 2.409 329 E HA -0.154 4.196 4.350 0.001 0.000 0.198 329 E C 1.303 177.797 176.600 -0.177 0.000 1.024 329 E CA 1.076 57.398 56.400 -0.130 0.000 0.861 329 E CB 0.004 29.634 29.700 -0.117 0.000 0.788 329 E HN 0.656 nan 8.360 nan 0.000 0.521 330 D N 0.917 121.224 120.400 -0.155 0.000 2.144 330 D HA -0.191 4.449 4.640 0.001 0.000 0.199 330 D C 1.594 177.719 176.300 -0.290 0.000 0.984 330 D CA 1.048 54.931 54.000 -0.195 0.000 0.834 330 D CB -0.328 40.366 40.800 -0.177 0.000 0.955 330 D HN 0.082 nan 8.370 nan 0.000 0.465 331 K N 0.292 120.487 120.400 -0.342 0.000 2.026 331 K HA -0.102 4.218 4.320 0.001 0.000 0.208 331 K C 2.324 178.360 176.600 -0.939 0.000 1.048 331 K CA 1.455 57.325 56.287 -0.695 0.000 0.929 331 K CB -0.080 32.159 32.500 -0.435 0.000 0.713 331 K HN 0.218 nan 8.250 nan 0.000 0.439 332 E N 0.180 120.012 120.200 -0.613 0.000 2.204 332 E HA -0.170 4.180 4.350 0.001 0.000 0.195 332 E C 1.898 178.351 176.600 -0.245 0.000 0.990 332 E CA 0.897 57.049 56.400 -0.413 0.000 0.821 332 E CB -0.022 29.405 29.700 -0.455 0.000 0.750 332 E HN 0.338 nan 8.360 nan 0.000 0.477 333 A N 0.663 123.337 122.820 -0.244 0.000 1.872 333 A HA -0.115 4.206 4.320 0.001 0.000 0.214 333 A C 2.457 180.022 177.584 -0.031 0.000 1.187 333 A CA 0.951 52.915 52.037 -0.122 0.000 0.614 333 A CB -0.529 18.398 19.000 -0.122 0.000 0.826 333 A HN 0.108 nan 8.150 nan 0.000 0.442 334 V N -0.641 119.210 119.914 -0.105 0.000 2.261 334 V HA -0.269 3.851 4.120 0.001 0.000 0.246 334 V C 2.361 178.594 176.094 0.231 0.000 1.047 334 V CA 2.095 64.436 62.300 0.068 0.000 1.015 334 V CB -1.116 30.649 31.823 -0.097 0.000 0.642 334 V HN 0.640 nan 8.190 nan 0.000 0.446 335 F N 0.481 120.490 119.950 0.097 0.000 2.095 335 F HA -0.263 4.264 4.527 0.000 0.000 0.298 335 F C 2.524 178.403 175.800 0.131 0.000 1.104 335 F CA 1.554 59.618 58.000 0.106 0.000 1.232 335 F CB -0.432 38.558 39.000 -0.016 0.000 0.987 335 F HN 0.258 nan 8.300 nan 0.000 0.475 336 D N 0.634 121.187 120.400 0.255 0.000 2.104 336 D HA -0.151 4.489 4.640 0.001 0.000 0.194 336 D C 2.095 178.498 176.300 0.172 0.000 0.994 336 D CA 1.228 55.326 54.000 0.164 0.000 0.830 336 D CB -0.259 40.587 40.800 0.077 0.000 0.959 336 D HN 0.038 nan 8.370 nan 0.000 0.452 337 V N -0.136 119.900 119.914 0.203 0.000 2.358 337 V HA -0.181 3.939 4.120 0.001 0.000 0.246 337 V C 2.715 178.995 176.094 0.311 0.000 1.047 337 V CA 1.197 63.618 62.300 0.202 0.000 1.035 337 V CB -0.357 31.575 31.823 0.181 0.000 0.658 337 V HN 0.130 nan 8.190 nan 0.000 0.452 338 V N 0.342 120.531 119.914 0.459 0.000 2.287 338 V HA -0.272 3.848 4.120 0.001 0.000 0.248 338 V C 2.281 178.543 176.094 0.280 0.000 1.053 338 V CA 2.332 64.893 62.300 0.435 0.000 1.027 338 V CB -0.652 31.415 31.823 0.407 0.000 0.646 338 V HN 0.569 nan 8.190 nan 0.000 0.447 339 D N -0.555 119.991 120.400 0.243 0.000 2.178 339 D HA -0.113 4.527 4.640 0.001 0.000 0.202 339 D C 2.261 178.633 176.300 0.119 0.000 0.974 339 D CA 1.603 55.702 54.000 0.165 0.000 0.841 339 D CB -0.333 40.554 40.800 0.146 0.000 0.953 339 D HN 0.395 nan 8.370 nan 0.000 0.478 340 T N 0.985 115.608 114.554 0.115 0.000 2.777 340 T HA -0.025 4.325 4.350 0.001 0.000 0.266 340 T C 2.191 176.923 174.700 0.054 0.000 1.040 340 T CA 0.484 62.624 62.100 0.067 0.000 1.141 340 T CB -0.147 68.749 68.868 0.048 0.000 0.868 340 T HN 0.118 nan 8.240 nan 0.000 0.444 341 L N 0.600 121.873 121.223 0.083 0.000 2.056 341 L HA -0.098 4.242 4.340 0.001 0.000 0.207 341 L C 2.937 179.857 176.870 0.084 0.000 1.078 341 L CA 1.194 56.079 54.840 0.075 0.000 0.749 341 L CB -1.082 41.054 42.059 0.128 0.000 0.901 341 L HN 0.279 nan 8.230 nan 0.000 0.433 342 T N 0.008 114.632 114.554 0.117 0.000 2.720 342 T HA -0.203 4.147 4.350 0.001 0.000 0.268 342 T C 1.938 176.591 174.700 -0.079 0.000 1.037 342 T CA 1.514 63.660 62.100 0.076 0.000 1.144 342 T CB -0.155 68.793 68.868 0.134 0.000 0.864 342 T HN 0.463 nan 8.240 nan 0.000 0.444 343 A N 0.655 123.463 122.820 -0.020 0.000 1.854 343 A HA 0.017 4.337 4.320 0.001 0.000 0.214 343 A C 2.586 180.147 177.584 -0.037 0.000 1.192 343 A CA 1.132 53.150 52.037 -0.032 0.000 0.611 343 A CB -0.997 18.009 19.000 0.009 0.000 0.832 343 A HN 0.321 nan 8.150 nan 0.000 0.442 344 V N 0.334 120.237 119.914 -0.019 0.000 2.287 344 V HA -0.277 3.844 4.120 0.001 0.000 0.248 344 V C 2.602 178.669 176.094 -0.045 0.000 1.053 344 V CA 2.072 64.356 62.300 -0.026 0.000 1.027 344 V CB -0.768 31.041 31.823 -0.025 0.000 0.646 344 V HN 0.562 nan 8.190 nan 0.000 0.447 345 L N -0.711 120.489 121.223 -0.039 0.000 2.083 345 L HA -0.256 4.084 4.340 0.001 0.000 0.209 345 L C 2.650 179.478 176.870 -0.069 0.000 1.083 345 L CA 1.666 56.488 54.840 -0.030 0.000 0.752 345 L CB -0.532 41.551 42.059 0.040 0.000 0.899 345 L HN 0.403 nan 8.230 nan 0.000 0.433 346 Q N -0.953 118.766 119.800 -0.134 0.000 2.123 346 Q HA -0.131 4.209 4.340 0.001 0.000 0.199 346 Q C 2.350 178.314 176.000 -0.060 0.000 0.966 346 Q CA 1.080 56.807 55.803 -0.126 0.000 0.845 346 Q CB 0.024 28.639 28.738 -0.205 0.000 0.907 346 Q HN 0.351 nan 8.270 nan 0.000 0.439 347 V N 0.823 120.710 119.914 -0.044 0.000 2.427 347 V HA -0.232 3.889 4.120 0.001 0.000 0.248 347 V C 2.218 178.165 176.094 -0.244 0.000 1.051 347 V CA 1.728 64.002 62.300 -0.042 0.000 1.048 347 V CB -0.781 31.067 31.823 0.042 0.000 0.666 347 V HN 0.365 nan 8.190 nan 0.000 0.456 348 A N -0.291 122.430 122.820 -0.165 0.000 1.902 348 A HA -0.217 4.103 4.320 0.001 0.000 0.217 348 A C 2.402 179.867 177.584 -0.199 0.000 1.181 348 A CA 2.469 54.398 52.037 -0.181 0.000 0.623 348 A CB -0.940 17.990 19.000 -0.117 0.000 0.818 348 A HN 0.488 nan 8.150 nan 0.000 0.443 349 T N -0.194 114.274 114.554 -0.144 0.000 2.708 349 T HA -0.061 4.289 4.350 0.001 0.000 0.266 349 T C 1.992 176.593 174.700 -0.166 0.000 1.037 349 T CA 1.558 63.595 62.100 -0.104 0.000 1.146 349 T CB -0.712 68.134 68.868 -0.036 0.000 0.865 349 T HN 0.593 nan 8.240 nan 0.000 0.435 350 G N 1.046 109.689 108.800 -0.263 0.000 2.446 350 G HA2 -0.196 3.765 3.960 0.001 0.000 0.217 350 G HA3 -0.196 3.765 3.960 0.001 0.000 0.217 350 G C 1.722 176.173 174.900 -0.748 0.000 1.168 350 G CA 0.971 45.829 45.100 -0.404 0.000 0.771 350 G HN 0.428 nan 8.290 nan 0.000 0.551 351 V N 1.442 120.758 119.914 -0.997 0.000 2.287 351 V HA -0.166 3.954 4.120 0.001 0.000 0.248 351 V C 2.813 178.774 176.094 -0.222 0.000 1.053 351 V CA 1.331 63.254 62.300 -0.630 0.000 1.027 351 V CB -0.329 31.239 31.823 -0.425 0.000 0.646 351 V HN 0.286 nan 8.190 nan 0.000 0.447 352 I N 1.091 121.563 120.570 -0.164 0.000 2.252 352 I HA -0.162 4.008 4.170 0.001 0.000 0.245 352 I C 2.672 178.798 176.117 0.016 0.000 1.102 352 I CA 2.219 63.498 61.300 -0.036 0.000 1.385 352 I CB -1.377 36.595 38.000 -0.046 0.000 1.064 352 I HN 0.547 nan 8.210 nan 0.000 0.414 353 S N -0.092 115.601 115.700 -0.012 0.000 2.436 353 S HA -0.091 4.380 4.470 0.001 0.000 0.228 353 S C 1.755 176.397 174.600 0.070 0.000 1.014 353 S CA 1.207 59.430 58.200 0.038 0.000 0.950 353 S CB -0.801 62.420 63.200 0.034 0.000 0.784 353 S HN 0.583 nan 8.310 nan 0.000 0.504 354 T N 0.190 114.789 114.554 0.073 0.000 3.069 354 T HA 0.426 4.776 4.350 0.001 0.000 0.252 354 T C 0.448 175.224 174.700 0.127 0.000 1.053 354 T CA -0.467 61.710 62.100 0.129 0.000 0.964 354 T CB -0.769 68.240 68.868 0.235 0.000 1.005 354 T HN 0.420 nan 8.240 nan 0.000 0.532 355 L N 0.139 121.427 121.223 0.109 0.000 2.464 355 L HA 0.609 4.949 4.340 0.001 0.000 0.264 355 L C -0.194 176.739 176.870 0.105 0.000 1.199 355 L CA -0.420 54.490 54.840 0.116 0.000 0.818 355 L CB 0.239 42.375 42.059 0.129 0.000 1.102 355 L HN -0.116 nan 8.230 nan 0.000 0.473 356 Q N 3.400 123.249 119.800 0.081 0.000 2.333 356 Q HA 0.498 4.838 4.340 0.001 0.000 0.265 356 Q C -0.414 175.592 176.000 0.011 0.000 0.989 356 Q CA -0.603 55.229 55.803 0.048 0.000 0.842 356 Q CB 2.343 31.105 28.738 0.040 0.000 1.262 356 Q HN 0.775 nan 8.270 nan 0.000 0.451 357 I N -1.053 119.490 120.570 -0.044 0.000 2.783 357 I HA 0.524 4.694 4.170 0.001 0.000 0.312 357 I C -0.045 175.993 176.117 -0.132 0.000 0.988 357 I CA -0.756 60.448 61.300 -0.160 0.000 1.182 357 I CB 1.455 39.205 38.000 -0.417 0.000 1.368 357 I HN 0.406 nan 8.210 nan 0.000 0.511 358 S N 2.774 118.385 115.700 -0.149 0.000 2.577 358 S HA 0.338 4.809 4.470 0.001 0.000 0.294 358 S C 0.794 175.302 174.600 -0.154 0.000 1.161 358 S CA -0.697 57.445 58.200 -0.097 0.000 1.143 358 S CB 0.179 63.361 63.200 -0.029 0.000 0.991 358 S HN 0.669 nan 8.310 nan 0.000 0.475 359 K N 2.611 122.918 120.400 -0.155 0.000 2.103 359 K HA -0.171 4.149 4.320 0.001 0.000 0.207 359 K C 1.774 178.296 176.600 -0.129 0.000 1.048 359 K CA 1.569 57.756 56.287 -0.168 0.000 0.930 359 K CB -0.002 32.431 32.500 -0.112 0.000 0.716 359 K HN 0.715 nan 8.250 nan 0.000 0.444 360 E N 0.963 121.115 120.200 -0.080 0.000 2.051 360 E HA -0.182 4.168 4.350 0.001 0.000 0.192 360 E C 1.742 178.313 176.600 -0.048 0.000 0.991 360 E CA 1.173 57.542 56.400 -0.052 0.000 0.799 360 E CB 0.138 29.820 29.700 -0.030 0.000 0.748 360 E HN 0.215 nan 8.360 nan 0.000 0.449 361 N N 0.032 118.717 118.700 -0.025 0.000 2.188 361 N HA -0.129 4.611 4.740 0.001 0.000 0.184 361 N C 1.760 177.291 175.510 0.035 0.000 1.018 361 N CA 1.121 54.196 53.050 0.042 0.000 0.858 361 N CB -0.158 38.396 38.487 0.110 0.000 0.989 361 N HN 0.252 nan 8.380 nan 0.000 0.426 362 M N 0.458 119.966 119.600 -0.153 0.000 2.117 362 M HA -0.184 4.296 4.480 0.001 0.000 0.262 362 M C 1.961 178.065 176.300 -0.327 0.000 1.065 362 M CA 1.565 56.582 55.300 -0.471 0.000 1.114 362 M CB -0.245 31.981 32.600 -0.624 0.000 1.361 362 M HN 0.171 nan 8.290 nan 0.000 0.408 363 E N 0.825 120.895 120.200 -0.217 0.000 2.152 363 E HA -0.105 4.245 4.350 0.001 0.000 0.192 363 E C 1.962 178.462 176.600 -0.166 0.000 0.983 363 E CA 1.708 57.995 56.400 -0.190 0.000 0.818 363 E CB -0.709 28.929 29.700 -0.102 0.000 0.758 363 E HN 0.389 nan 8.360 nan 0.000 0.467 364 K N 1.207 121.552 120.400 -0.092 0.000 2.209 364 K HA 0.202 4.522 4.320 0.001 0.000 0.204 364 K C 2.233 178.793 176.600 -0.066 0.000 1.048 364 K CA 1.310 57.566 56.287 -0.053 0.000 0.940 364 K CB -0.964 31.525 32.500 -0.018 0.000 0.729 364 K HN 0.379 nan 8.250 nan 0.000 0.451 365 A N 0.348 123.129 122.820 -0.064 0.000 2.119 365 A HA 0.275 4.596 4.320 0.001 0.000 0.217 365 A C 1.070 178.554 177.584 -0.166 0.000 1.153 365 A CA 0.159 52.175 52.037 -0.036 0.000 0.692 365 A CB -0.281 18.815 19.000 0.160 0.000 0.799 365 A HN 0.466 nan 8.150 nan 0.000 0.458 366 L N 1.894 122.906 121.223 -0.352 0.000 2.361 366 L HA 0.276 4.617 4.340 0.001 0.000 0.278 366 L C 0.556 177.194 176.870 -0.387 0.000 1.113 366 L CA -0.245 54.191 54.840 -0.674 0.000 0.849 366 L CB 0.756 41.885 42.059 -1.550 0.000 1.155 366 L HN 0.345 nan 8.230 nan 0.000 0.452 367 T N -0.388 114.112 114.554 -0.090 0.000 2.932 367 T HA 0.430 4.780 4.350 0.001 0.000 0.289 367 T C -2.150 172.776 174.700 0.376 0.000 1.039 367 T CA -2.102 60.100 62.100 0.170 0.000 1.024 367 T CB 2.191 71.098 68.868 0.066 0.000 1.090 367 T HN 0.184 nan 8.240 nan 0.000 0.496 368 P HA -0.050 nan 4.420 nan 0.000 0.216 368 P C 1.126 178.539 177.300 0.188 0.000 1.150 368 P CA 0.924 64.155 63.100 0.219 0.000 0.837 368 P CB 0.059 31.809 31.700 0.083 0.000 0.786 369 E N -1.048 119.230 120.200 0.131 0.000 2.209 369 E HA -0.144 4.206 4.350 0.001 0.000 0.196 369 E C 1.744 178.410 176.600 0.111 0.000 0.993 369 E CA 1.202 57.660 56.400 0.096 0.000 0.819 369 E CB -0.988 28.748 29.700 0.060 0.000 0.745 369 E HN 0.338 nan 8.360 nan 0.000 0.477 370 M N -0.418 119.268 119.600 0.144 0.000 2.630 370 M HA 0.017 4.497 4.480 0.001 0.000 0.254 370 M C 0.862 177.256 176.300 0.157 0.000 1.092 370 M CA 0.713 56.095 55.300 0.135 0.000 1.087 370 M CB 0.180 32.859 32.600 0.131 0.000 1.453 370 M HN 0.045 nan 8.290 nan 0.000 0.509 371 L N -0.879 120.443 121.223 0.166 0.000 2.667 371 L HA 0.261 4.602 4.340 0.001 0.000 0.232 371 L C 2.298 179.206 176.870 0.062 0.000 1.138 371 L CA -0.365 54.536 54.840 0.102 0.000 0.921 371 L CB -0.480 41.613 42.059 0.056 0.000 1.180 371 L HN 0.191 nan 8.230 nan 0.000 0.487 372 A N 0.103 122.974 122.820 0.086 0.000 1.969 372 A HA -0.146 4.174 4.320 0.001 0.000 0.218 372 A C 2.326 179.932 177.584 0.037 0.000 1.169 372 A CA 2.097 54.170 52.037 0.061 0.000 0.635 372 A CB -0.491 18.536 19.000 0.045 0.000 0.810 372 A HN 0.310 nan 8.150 nan 0.000 0.445 373 T N 0.057 114.645 114.554 0.058 0.000 2.857 373 T HA -0.084 4.266 4.350 0.001 0.000 0.266 373 T C 1.400 176.147 174.700 0.079 0.000 1.048 373 T CA 1.429 63.575 62.100 0.078 0.000 1.139 373 T CB -0.337 68.604 68.868 0.122 0.000 0.874 373 T HN 0.447 nan 8.240 nan 0.000 0.455 374 D N 0.972 121.406 120.400 0.057 0.000 2.178 374 D HA -0.016 4.624 4.640 0.001 0.000 0.202 374 D C 1.925 178.235 176.300 0.018 0.000 0.974 374 D CA 0.402 54.417 54.000 0.025 0.000 0.841 374 D CB -0.348 40.438 40.800 -0.023 0.000 0.953 374 D HN 0.181 nan 8.370 nan 0.000 0.478 375 L N 0.731 121.952 121.223 -0.004 0.000 2.056 375 L HA -0.032 4.308 4.340 0.001 0.000 0.207 375 L C 2.060 179.041 176.870 0.185 0.000 1.078 375 L CA 1.490 56.363 54.840 0.056 0.000 0.749 375 L CB -0.664 41.431 42.059 0.059 0.000 0.901 375 L HN -0.027 nan 8.230 nan 0.000 0.433 376 A N -0.938 121.948 122.820 0.109 0.000 1.929 376 A HA -0.100 4.220 4.320 0.001 0.000 0.216 376 A C 2.225 179.865 177.584 0.092 0.000 1.176 376 A CA 1.566 53.651 52.037 0.080 0.000 0.628 376 A CB -0.725 18.283 19.000 0.014 0.000 0.816 376 A HN 0.469 nan 8.150 nan 0.000 0.444 377 L N -1.935 119.349 121.223 0.103 0.000 2.141 377 L HA -0.166 4.174 4.340 0.001 0.000 0.209 377 L C 2.507 179.406 176.870 0.048 0.000 1.094 377 L CA 1.484 56.369 54.840 0.076 0.000 0.763 377 L CB -0.626 41.463 42.059 0.050 0.000 0.908 377 L HN 0.615 nan 8.230 nan 0.000 0.437 378 Y N 0.918 121.195 120.300 -0.037 0.000 2.081 378 Y HA -0.305 4.246 4.550 0.000 0.000 0.280 378 Y C 2.294 178.142 175.900 -0.086 0.000 1.163 378 Y CA 1.776 59.845 58.100 -0.051 0.000 1.135 378 Y CB -0.262 38.188 38.460 -0.016 0.000 0.970 378 Y HN -0.004 nan 8.280 nan 0.000 0.498 379 L N -1.140 120.039 121.223 -0.073 0.000 2.093 379 L HA -0.201 4.139 4.340 0.001 0.000 0.208 379 L C 2.423 179.183 176.870 -0.185 0.000 1.085 379 L CA 0.975 55.670 54.840 -0.241 0.000 0.755 379 L CB -0.730 41.202 42.059 -0.212 0.000 0.904 379 L HN 0.145 nan 8.230 nan 0.000 0.435 380 V N 0.081 119.947 119.914 -0.079 0.000 2.332 380 V HA -0.302 3.818 4.120 0.001 0.000 0.248 380 V C 2.399 178.444 176.094 -0.081 0.000 1.055 380 V CA 1.772 64.054 62.300 -0.030 0.000 1.038 380 V CB -0.638 31.219 31.823 0.056 0.000 0.651 380 V HN 0.443 nan 8.190 nan 0.000 0.450 381 R N -0.144 120.278 120.500 -0.129 0.000 2.357 381 R HA -0.028 4.312 4.340 0.001 0.000 0.202 381 R C 1.528 177.716 176.300 -0.188 0.000 1.047 381 R CA 0.513 56.525 56.100 -0.146 0.000 1.034 381 R CB -0.130 30.076 30.300 -0.157 0.000 0.875 381 R HN 0.489 nan 8.270 nan 0.000 0.473 382 K N -0.649 119.617 120.400 -0.223 0.000 2.387 382 K HA 0.133 4.453 4.320 0.001 0.000 0.203 382 K C 0.630 177.146 176.600 -0.140 0.000 1.030 382 K CA 0.450 56.608 56.287 -0.215 0.000 1.099 382 K CB 1.457 33.772 32.500 -0.310 0.000 0.863 382 K HN 0.288 nan 8.250 nan 0.000 0.529 383 G N 1.093 109.829 108.800 -0.106 0.000 2.176 383 G HA2 -0.221 3.739 3.960 0.001 0.000 0.232 383 G HA3 -0.221 3.739 3.960 0.001 0.000 0.232 383 G C 0.134 175.000 174.900 -0.057 0.000 0.986 383 G CA -0.199 44.860 45.100 -0.069 0.000 0.643 383 G HN 0.096 nan 8.290 nan 0.000 0.522 384 V N 2.556 122.425 119.914 -0.075 0.000 2.508 384 V HA 0.354 4.475 4.120 0.001 0.000 0.281 384 V C -1.254 174.831 176.094 -0.014 0.000 1.041 384 V CA -1.065 61.199 62.300 -0.060 0.000 1.016 384 V CB 1.050 32.813 31.823 -0.100 0.000 0.984 384 V HN 0.147 nan 8.190 nan 0.000 0.478 385 P HA -0.036 nan 4.420 nan 0.000 0.264 385 P C 0.611 177.961 177.300 0.083 0.000 1.183 385 P CA 0.036 63.166 63.100 0.051 0.000 0.763 385 P CB 0.316 32.037 31.700 0.035 0.000 0.807 386 F N 4.635 124.587 119.950 0.004 0.000 2.048 386 F HA -0.345 4.183 4.527 0.000 0.000 0.296 386 F C 2.099 177.933 175.800 0.057 0.000 1.109 386 F CA 1.942 59.958 58.000 0.027 0.000 1.214 386 F CB -0.271 38.740 39.000 0.019 0.000 0.963 386 F HN 0.226 nan 8.300 nan 0.000 0.491 387 R N 0.420 120.828 120.500 -0.153 0.000 2.094 387 R HA -0.208 4.132 4.340 0.001 0.000 0.239 387 R C 2.180 178.394 176.300 -0.143 0.000 1.137 387 R CA 2.182 58.144 56.100 -0.230 0.000 0.943 387 R CB -1.276 28.995 30.300 -0.050 0.000 0.850 387 R HN 0.564 nan 8.270 nan 0.000 0.433 388 Q N -0.048 119.711 119.800 -0.069 0.000 2.084 388 Q HA -0.050 4.290 4.340 0.001 0.000 0.202 388 Q C 2.151 178.123 176.000 -0.047 0.000 0.978 388 Q CA 1.562 57.341 55.803 -0.041 0.000 0.844 388 Q CB -0.212 28.510 28.738 -0.027 0.000 0.898 388 Q HN 0.370 nan 8.270 nan 0.000 0.426 389 A N 0.961 123.737 122.820 -0.072 0.000 1.969 389 A HA -0.221 4.100 4.320 0.001 0.000 0.218 389 A C 1.969 179.514 177.584 -0.065 0.000 1.169 389 A CA 1.455 53.452 52.037 -0.067 0.000 0.635 389 A CB -0.707 18.259 19.000 -0.056 0.000 0.810 389 A HN 0.428 nan 8.150 nan 0.000 0.445 390 H N 0.053 118.969 119.070 -0.258 0.000 2.357 390 H HA -0.079 4.477 4.556 0.000 0.000 0.301 390 H C 1.922 177.177 175.328 -0.122 0.000 1.082 390 H CA 2.015 57.907 56.048 -0.259 0.000 1.342 390 H CB -0.272 29.181 29.762 -0.515 0.000 1.389 390 H HN 0.397 nan 8.280 nan 0.000 0.511 391 T N 0.909 115.508 114.554 0.075 0.000 2.746 391 T HA -0.071 4.279 4.350 0.001 0.000 0.267 391 T C 2.231 176.948 174.700 0.027 0.000 1.039 391 T CA 1.373 63.513 62.100 0.066 0.000 1.142 391 T CB -0.530 68.358 68.868 0.034 0.000 0.866 391 T HN 0.499 nan 8.240 nan 0.000 0.444 392 A N 0.925 123.764 122.820 0.032 0.000 1.902 392 A HA -0.089 4.231 4.320 0.001 0.000 0.217 392 A C 2.561 180.225 177.584 0.132 0.000 1.181 392 A CA 2.091 54.185 52.037 0.096 0.000 0.623 392 A CB -1.059 18.004 19.000 0.106 0.000 0.818 392 A HN 0.453 nan 8.150 nan 0.000 0.443 393 S N -0.596 115.150 115.700 0.077 0.000 2.382 393 S HA -0.034 4.436 4.470 0.001 0.000 0.228 393 S C 2.014 176.616 174.600 0.004 0.000 1.027 393 S CA 1.680 59.920 58.200 0.066 0.000 0.991 393 S CB -0.648 62.540 63.200 -0.019 0.000 0.823 393 S HN 0.698 nan 8.310 nan 0.000 0.469 394 G N 1.001 109.770 108.800 -0.051 0.000 2.422 394 G HA2 -0.162 3.799 3.960 0.001 0.000 0.218 394 G HA3 -0.162 3.799 3.960 0.001 0.000 0.218 394 G C 1.556 176.480 174.900 0.039 0.000 1.146 394 G CA 0.666 45.753 45.100 -0.022 0.000 0.769 394 G HN 0.531 nan 8.290 nan 0.000 0.547 395 K N 0.505 120.929 120.400 0.039 0.000 2.057 395 K HA 0.058 4.378 4.320 0.001 0.000 0.207 395 K C 2.978 179.625 176.600 0.079 0.000 1.049 395 K CA 0.969 57.283 56.287 0.046 0.000 0.931 395 K CB -0.222 32.301 32.500 0.038 0.000 0.714 395 K HN 0.257 nan 8.250 nan 0.000 0.440 396 A N 1.126 123.981 122.820 0.058 0.000 1.877 396 A HA -0.138 4.182 4.320 0.001 0.000 0.216 396 A C 2.387 179.985 177.584 0.023 0.000 1.186 396 A CA 1.509 53.553 52.037 0.011 0.000 0.620 396 A CB -0.773 18.206 19.000 -0.036 0.000 0.822 396 A HN 0.072 nan 8.150 nan 0.000 0.443 397 V N 0.128 120.067 119.914 0.041 0.000 2.332 397 V HA -0.308 3.813 4.120 0.001 0.000 0.248 397 V C 2.595 178.719 176.094 0.050 0.000 1.055 397 V CA 2.322 64.644 62.300 0.036 0.000 1.038 397 V CB -1.015 30.830 31.823 0.037 0.000 0.651 397 V HN 0.825 nan 8.190 nan 0.000 0.450 398 H N -0.220 118.843 119.070 -0.012 0.000 2.326 398 H HA -0.143 4.413 4.556 0.000 0.000 0.301 398 H C 2.253 177.571 175.328 -0.018 0.000 1.081 398 H CA 2.222 58.264 56.048 -0.010 0.000 1.334 398 H CB -0.114 29.647 29.762 -0.002 0.000 1.385 398 H HN 0.333 nan 8.280 nan 0.000 0.504 399 L N 1.443 122.767 121.223 0.168 0.000 2.012 399 L HA -0.128 4.212 4.340 0.001 0.000 0.210 399 L C 2.756 179.599 176.870 -0.044 0.000 1.073 399 L CA 2.262 57.147 54.840 0.076 0.000 0.748 399 L CB -1.239 40.855 42.059 0.059 0.000 0.891 399 L HN 0.342 nan 8.230 nan 0.000 0.431 400 A N -0.754 122.035 122.820 -0.052 0.000 1.933 400 A HA -0.176 4.144 4.320 0.001 0.000 0.218 400 A C 2.333 179.860 177.584 -0.094 0.000 1.175 400 A CA 2.186 54.175 52.037 -0.079 0.000 0.628 400 A CB -1.138 17.814 19.000 -0.079 0.000 0.814 400 A HN 0.572 nan 8.150 nan 0.000 0.444 401 E N -0.432 119.697 120.200 -0.119 0.000 2.031 401 E HA -0.205 4.145 4.350 0.001 0.000 0.193 401 E C 2.157 178.661 176.600 -0.159 0.000 0.994 401 E CA 2.304 58.619 56.400 -0.141 0.000 0.800 401 E CB -1.893 27.701 29.700 -0.177 0.000 0.752 401 E HN 0.956 nan 8.360 nan 0.000 0.447 402 T N -1.652 112.766 114.554 -0.226 0.000 2.977 402 T HA -0.057 4.293 4.350 0.001 0.000 0.271 402 T C 1.686 176.326 174.700 -0.099 0.000 1.105 402 T CA 1.429 63.426 62.100 -0.172 0.000 1.116 402 T CB -0.129 68.632 68.868 -0.179 0.000 0.878 402 T HN 0.395 nan 8.240 nan 0.000 0.509 403 K N 0.524 120.870 120.400 -0.090 0.000 2.358 403 K HA 0.348 4.668 4.320 0.001 0.000 0.197 403 K C 1.195 177.756 176.600 -0.066 0.000 1.025 403 K CA 0.184 56.430 56.287 -0.068 0.000 1.104 403 K CB 0.286 32.747 32.500 -0.064 0.000 0.855 403 K HN 0.457 nan 8.250 nan 0.000 0.531 404 G N 3.119 111.877 108.800 -0.070 0.000 2.323 404 G HA2 -0.253 3.708 3.960 0.001 0.000 0.292 404 G HA3 -0.253 3.708 3.960 0.001 0.000 0.292 404 G C 0.021 174.884 174.900 -0.063 0.000 1.040 404 G CA 0.870 45.933 45.100 -0.061 0.000 0.942 404 G HN 0.492 nan 8.290 nan 0.000 0.506 405 I N -3.526 117.001 120.570 -0.073 0.000 2.969 405 I HA 0.843 5.013 4.170 0.001 0.000 0.307 405 I C 0.370 176.432 176.117 -0.091 0.000 1.149 405 I CA -0.818 60.432 61.300 -0.082 0.000 1.008 405 I CB 1.994 39.938 38.000 -0.095 0.000 1.232 405 I HN 0.199 nan 8.210 nan 0.000 0.435 406 T N 0.451 114.943 114.554 -0.103 0.000 2.868 406 T HA 0.353 4.704 4.350 0.001 0.000 0.292 406 T C 1.386 175.982 174.700 -0.173 0.000 1.028 406 T CA -0.360 61.675 62.100 -0.109 0.000 1.059 406 T CB 1.277 70.086 68.868 -0.099 0.000 0.991 406 T HN 0.765 nan 8.240 nan 0.000 0.531 407 I N 0.117 120.591 120.570 -0.160 0.000 2.454 407 I HA -0.137 4.033 4.170 0.001 0.000 0.254 407 I C 1.820 177.573 176.117 -0.607 0.000 1.156 407 I CA 1.220 62.388 61.300 -0.221 0.000 1.433 407 I CB -0.755 37.227 38.000 -0.029 0.000 1.082 407 I HN 0.671 nan 8.210 nan 0.000 0.432 408 N N 1.987 120.182 118.700 -0.842 0.000 2.521 408 N HA -0.127 4.614 4.740 0.001 0.000 0.188 408 N C 1.129 176.184 175.510 -0.758 0.000 1.146 408 N CA 0.602 52.753 53.050 -1.498 0.000 0.893 408 N CB -0.139 37.758 38.487 -0.984 0.000 0.975 408 N HN 0.542 nan 8.380 nan 0.000 0.451 409 K N -0.037 120.079 120.400 -0.474 0.000 2.374 409 K HA 0.325 4.645 4.320 0.001 0.000 0.202 409 K C 0.161 176.615 176.600 -0.242 0.000 1.040 409 K CA -0.249 55.862 56.287 -0.293 0.000 1.085 409 K CB 0.652 33.030 32.500 -0.202 0.000 0.873 409 K HN 0.062 nan 8.250 nan 0.000 0.539 410 L N 2.406 123.464 121.223 -0.276 0.000 2.453 410 L HA 0.035 4.376 4.340 0.001 0.000 0.272 410 L C 0.716 177.474 176.870 -0.187 0.000 1.182 410 L CA -0.309 54.408 54.840 -0.204 0.000 0.858 410 L CB 0.677 42.611 42.059 -0.208 0.000 1.120 410 L HN 0.157 nan 8.230 nan 0.000 0.474 411 S N 2.410 118.030 115.700 -0.133 0.000 2.593 411 S HA 0.091 4.561 4.470 0.001 0.000 0.269 411 S C 0.840 175.379 174.600 -0.102 0.000 1.334 411 S CA -0.756 57.382 58.200 -0.104 0.000 1.015 411 S CB 1.169 64.326 63.200 -0.072 0.000 0.912 411 S HN 0.564 nan 8.310 nan 0.000 0.541 412 L N 1.938 123.118 121.223 -0.072 0.000 2.079 412 L HA 0.032 4.372 4.340 0.001 0.000 0.210 412 L C 2.916 179.771 176.870 -0.026 0.000 1.081 412 L CA 2.701 57.512 54.840 -0.047 0.000 0.752 412 L CB -1.706 40.347 42.059 -0.011 0.000 0.896 412 L HN 1.028 nan 8.230 nan 0.000 0.433 413 E N -0.257 119.930 120.200 -0.022 0.000 2.077 413 E HA -0.201 4.149 4.350 0.001 0.000 0.193 413 E C 1.905 178.498 176.600 -0.013 0.000 0.989 413 E CA 1.892 58.288 56.400 -0.006 0.000 0.800 413 E CB -1.885 nan 29.700 nan 0.000 0.746 413 E HN 0.741 nan 8.360 nan 0.000 0.452 414 D N 0.590 120.966 120.400 -0.040 0.000 2.097 414 D HA -0.015 4.625 4.640 0.001 0.000 0.195 414 D C 2.226 178.491 176.300 -0.059 0.000 0.989 414 D CA 1.512 55.484 54.000 -0.048 0.000 0.827 414 D CB -0.514 nan 40.800 nan 0.000 0.966 414 D HN 0.400 nan 8.370 nan 0.000 0.456 415 L N -0.463 120.685 121.223 -0.125 0.000 2.046 415 L HA -0.134 4.206 4.340 0.001 0.000 0.208 415 L C 2.860 179.770 176.870 0.067 0.000 1.077 415 L CA 1.521 56.224 54.840 -0.227 0.000 0.747 415 L CB -0.278 41.446 42.059 -0.559 0.000 0.896 415 L HN 0.205 nan 8.230 nan 0.000 0.432 416 K N -0.027 120.429 120.400 0.094 0.000 2.147 416 K HA -0.150 4.170 4.320 0.001 0.000 0.205 416 K C 2.322 178.992 176.600 0.118 0.000 1.049 416 K CA 1.602 57.981 56.287 0.153 0.000 0.936 416 K CB -0.198 32.362 32.500 0.100 0.000 0.722 416 K HN 0.391 nan 8.250 nan 0.000 0.446 417 S N 0.733 116.477 115.700 0.073 0.000 2.423 417 S HA -0.089 4.382 4.470 0.001 0.000 0.231 417 S C 1.882 176.528 174.600 0.077 0.000 1.014 417 S CA 0.701 58.935 58.200 0.057 0.000 0.965 417 S CB -0.188 63.031 63.200 0.032 0.000 0.785 417 S HN 0.069 nan 8.310 nan 0.000 0.495 418 I N 0.692 121.331 120.570 0.116 0.000 2.296 418 I HA 0.224 4.394 4.170 0.001 0.000 0.242 418 I C 1.197 177.425 176.117 0.184 0.000 1.087 418 I CA 0.760 62.150 61.300 0.150 0.000 1.393 418 I CB -0.971 37.148 38.000 0.198 0.000 1.093 418 I HN 0.441 nan 8.210 nan 0.000 0.421 419 S N 1.023 116.894 115.700 0.285 0.000 2.572 419 S HA 0.419 4.890 4.470 0.001 0.000 0.274 419 S C -2.144 172.554 174.600 0.164 0.000 1.150 419 S CA -1.030 57.268 58.200 0.163 0.000 0.944 419 S CB 2.103 65.307 63.200 0.007 0.000 1.071 419 S HN -0.107 nan 8.310 nan 0.000 0.479 420 P HA -0.016 nan 4.420 nan 0.000 0.233 420 P C 0.515 177.846 177.300 0.052 0.000 1.167 420 P CA 0.718 63.860 63.100 0.070 0.000 0.770 420 P CB 0.146 31.868 31.700 0.036 0.000 0.837 421 Q N -1.289 118.495 119.800 -0.026 0.000 2.444 421 Q HA 0.106 4.447 4.340 0.001 0.000 0.206 421 Q C -0.076 175.925 176.000 0.002 0.000 0.948 421 Q CA 0.200 55.960 55.803 -0.072 0.000 0.946 421 Q CB -0.440 28.193 28.738 -0.176 0.000 1.027 421 Q HN 0.190 nan 8.270 nan 0.000 0.513 422 F N 0.499 120.552 119.950 0.172 0.000 2.421 422 F HA 0.242 4.769 4.527 0.000 0.000 0.358 422 F C 0.461 176.355 175.800 0.158 0.000 1.115 422 F CA -0.356 57.781 58.000 0.229 0.000 1.160 422 F CB 0.950 40.011 39.000 0.102 0.000 1.123 422 F HN -0.208 nan 8.300 nan 0.000 0.508 423 S N 0.503 116.447 115.700 0.408 0.000 2.739 423 S HA 0.223 4.693 4.470 0.001 0.000 0.306 423 S C 1.046 175.757 174.600 0.185 0.000 1.115 423 S CA -0.269 58.075 58.200 0.240 0.000 0.985 423 S CB 1.615 64.935 63.200 0.199 0.000 1.133 423 S HN 0.646 nan 8.310 nan 0.000 0.541 424 S N 1.155 116.925 115.700 0.116 0.000 2.419 424 S HA -0.175 4.295 4.470 0.001 0.000 0.233 424 S C 1.178 175.822 174.600 0.073 0.000 1.016 424 S CA 1.616 59.860 58.200 0.074 0.000 0.974 424 S CB -0.712 62.519 63.200 0.051 0.000 0.786 424 S HN 0.821 nan 8.310 nan 0.000 0.492 425 D N 1.421 121.889 120.400 0.113 0.000 2.392 425 D HA -0.011 4.629 4.640 0.001 0.000 0.228 425 D C 1.601 177.956 176.300 0.093 0.000 1.003 425 D CA 0.457 54.525 54.000 0.113 0.000 0.917 425 D CB -0.619 40.268 40.800 0.145 0.000 0.890 425 D HN 0.393 nan 8.370 nan 0.000 0.532 426 V N 1.111 121.026 119.914 0.001 0.000 2.913 426 V HA -0.217 3.903 4.120 0.001 0.000 0.260 426 V C 2.128 178.116 176.094 -0.176 0.000 1.098 426 V CA 2.015 64.105 62.300 -0.350 0.000 1.121 426 V CB -0.779 30.772 31.823 -0.454 0.000 0.714 426 V HN 0.420 nan 8.190 nan 0.000 0.487 427 S N -0.710 114.990 115.700 -0.000 0.000 2.442 427 S HA -0.258 4.212 4.470 0.001 0.000 0.236 427 S C 1.707 176.335 174.600 0.046 0.000 1.007 427 S CA 1.422 59.688 58.200 0.110 0.000 0.965 427 S CB -0.455 62.785 63.200 0.066 0.000 0.773 427 S HN 0.775 nan 8.310 nan 0.000 0.504 428 Q N 0.519 120.302 119.800 -0.028 0.000 2.369 428 Q HA 0.105 4.445 4.340 0.001 0.000 0.206 428 Q C 1.979 177.899 176.000 -0.134 0.000 0.963 428 Q CA 0.779 56.556 55.803 -0.045 0.000 0.894 428 Q CB -0.315 28.419 28.738 -0.006 0.000 0.965 428 Q HN 0.479 nan 8.270 nan 0.000 0.475 429 V N 0.075 119.811 119.914 -0.297 0.000 2.427 429 V HA -0.175 3.945 4.120 0.001 0.000 0.248 429 V C 0.743 176.484 176.094 -0.587 0.000 1.051 429 V CA 1.307 63.311 62.300 -0.494 0.000 1.048 429 V CB -0.251 31.072 31.823 -0.833 0.000 0.666 429 V HN 0.283 nan 8.190 nan 0.000 0.456 430 F N 1.849 121.696 119.950 -0.172 0.000 2.640 430 F HA 0.363 4.890 4.527 0.000 0.000 0.354 430 F C 0.584 176.188 175.800 -0.327 0.000 1.213 430 F CA 0.078 57.924 58.000 -0.257 0.000 1.314 430 F CB -0.349 38.521 39.000 -0.216 0.000 1.679 430 F HN 0.110 nan 8.300 nan 0.000 0.622 431 N N 1.026 119.554 118.700 -0.288 0.000 2.537 431 N HA 0.105 4.845 4.740 0.001 0.000 0.281 431 N C 0.076 175.428 175.510 -0.263 0.000 1.097 431 N CA -0.418 52.471 53.050 -0.267 0.000 0.964 431 N CB 0.680 39.106 38.487 -0.102 0.000 1.588 431 N HN 0.180 nan 8.380 nan 0.000 0.511 432 F N 1.504 121.476 119.950 0.037 0.000 2.234 432 F HA -0.082 4.446 4.527 0.001 0.000 0.299 432 F C 2.268 178.089 175.800 0.035 0.000 1.087 432 F CA 0.617 58.636 58.000 0.032 0.000 1.340 432 F CB 0.237 39.250 39.000 0.020 0.000 1.031 432 F HN 0.301 nan 8.300 nan 0.000 0.500 433 V N 0.243 120.258 119.914 0.169 0.000 2.307 433 V HA -0.281 3.839 4.120 0.001 0.000 0.245 433 V C 2.027 178.174 176.094 0.088 0.000 1.045 433 V CA 1.847 64.218 62.300 0.117 0.000 1.024 433 V CB -0.640 31.232 31.823 0.082 0.000 0.651 433 V HN 0.319 nan 8.190 nan 0.000 0.449 434 N N -0.019 118.709 118.700 0.047 0.000 2.223 434 N HA -0.147 4.593 4.740 0.001 0.000 0.185 434 N C 2.131 177.665 175.510 0.040 0.000 1.016 434 N CA 1.674 54.738 53.050 0.023 0.000 0.863 434 N CB -0.484 37.992 38.487 -0.018 0.000 0.983 434 N HN 0.449 nan 8.380 nan 0.000 0.429 435 S N 0.458 116.202 115.700 0.073 0.000 2.351 435 S HA -0.117 4.354 4.470 0.001 0.000 0.220 435 S C 2.111 176.843 174.600 0.220 0.000 1.035 435 S CA 1.766 60.045 58.200 0.131 0.000 1.031 435 S CB -0.443 62.877 63.200 0.199 0.000 0.928 435 S HN 0.241 nan 8.310 nan 0.000 0.433 436 V N 0.176 120.226 119.914 0.227 0.000 2.626 436 V HA 0.063 4.183 4.120 0.001 0.000 0.252 436 V C 1.876 178.127 176.094 0.262 0.000 1.067 436 V CA 1.747 64.215 62.300 0.280 0.000 1.081 436 V CB -0.860 31.065 31.823 0.169 0.000 0.686 436 V HN 0.314 nan 8.190 nan 0.000 0.468 437 E N 0.661 120.946 120.200 0.143 0.000 2.516 437 E HA -0.111 4.240 4.350 0.001 0.000 0.199 437 E C 2.143 178.756 176.600 0.023 0.000 1.069 437 E CA 0.779 57.230 56.400 0.085 0.000 0.876 437 E CB -0.119 29.612 29.700 0.052 0.000 0.843 437 E HN 0.809 nan 8.360 nan 0.000 0.530 438 Q N -0.637 119.134 119.800 -0.047 0.000 2.172 438 Q HA -0.086 4.255 4.340 0.001 0.000 0.200 438 Q C 0.229 176.017 176.000 -0.355 0.000 0.964 438 Q CA 0.690 56.325 55.803 -0.280 0.000 0.855 438 Q CB -0.037 28.366 28.738 -0.557 0.000 0.918 438 Q HN 0.369 nan 8.270 nan 0.000 0.444 439 Y N 1.081 121.394 120.300 0.022 0.000 2.830 439 Y HA 0.040 4.591 4.550 0.001 0.000 0.371 439 Y C 1.432 177.340 175.900 0.013 0.000 1.246 439 Y CA 0.161 58.272 58.100 0.018 0.000 1.890 439 Y CB -0.429 38.044 38.460 0.022 0.000 1.995 439 Y HN 0.108 nan 8.280 nan 0.000 0.430 440 T N -2.689 111.907 114.554 0.071 0.000 3.067 440 T HA 0.218 4.569 4.350 0.001 0.000 0.261 440 T C 1.162 175.889 174.700 0.046 0.000 1.110 440 T CA 0.153 62.283 62.100 0.050 0.000 1.113 440 T CB -0.049 68.829 68.868 0.016 0.000 0.917 440 T HN 0.421 nan 8.240 nan 0.000 0.499 441 A N 1.952 124.802 122.820 0.050 0.000 2.531 441 A HA 0.448 4.769 4.320 0.001 0.000 0.236 441 A C 0.505 178.116 177.584 0.046 0.000 1.062 441 A CA -0.482 51.579 52.037 0.041 0.000 0.760 441 A CB -0.436 18.591 19.000 0.045 0.000 0.995 441 A HN 0.617 nan 8.150 nan 0.000 0.501 442 L N 1.321 122.560 121.223 0.027 0.000 2.678 442 L HA 0.056 4.396 4.340 0.001 0.000 0.285 442 L C 1.441 178.323 176.870 0.020 0.000 1.233 442 L CA 1.319 56.171 54.840 0.020 0.000 0.920 442 L CB -0.189 41.876 42.059 0.010 0.000 1.176 442 L HN 1.436 nan 8.230 nan 0.000 0.495 443 A N 1.970 124.798 122.820 0.014 0.000 3.526 443 A HA -0.131 4.189 4.320 0.001 0.000 0.254 443 A C 0.889 178.478 177.584 0.008 0.000 1.109 443 A CA 0.582 52.620 52.037 0.002 0.000 1.395 443 A CB -2.322 16.674 19.000 -0.007 0.000 1.057 443 A HN 0.936 nan 8.150 nan 0.000 0.901 444 G N -1.529 107.297 108.800 0.044 0.000 2.621 444 G HA2 0.429 4.389 3.960 0.001 0.000 0.271 444 G HA3 0.429 4.389 3.960 0.001 0.000 0.271 444 G C 0.767 175.696 174.900 0.049 0.000 1.236 444 G CA 0.887 46.029 45.100 0.071 0.000 0.958 444 G HN 0.952 nan 8.290 nan 0.000 0.512 445 T N -0.519 114.057 114.554 0.037 0.000 3.169 445 T HA 0.411 4.761 4.350 0.001 0.000 0.250 445 T C 1.227 175.984 174.700 0.096 0.000 1.111 445 T CA 0.579 62.697 62.100 0.030 0.000 1.010 445 T CB -0.894 67.949 68.868 -0.042 0.000 0.984 445 T HN 0.792 nan 8.240 nan 0.000 0.537 446 A N 0.898 123.801 122.820 0.138 0.000 2.406 446 A HA 0.350 4.671 4.320 0.001 0.000 0.243 446 A C 1.539 179.168 177.584 0.074 0.000 1.082 446 A CA -0.209 51.898 52.037 0.117 0.000 0.786 446 A CB 0.200 19.264 19.000 0.107 0.000 1.029 446 A HN 0.507 nan 8.150 nan 0.000 0.495 447 K N 0.654 121.094 120.400 0.065 0.000 2.063 447 K HA -0.182 4.138 4.320 0.001 0.000 0.208 447 K C 2.169 178.793 176.600 0.039 0.000 1.048 447 K CA 2.103 58.421 56.287 0.051 0.000 0.928 447 K CB -0.188 32.341 32.500 0.049 0.000 0.713 447 K HN 0.876 nan 8.250 nan 0.000 0.442 448 S N -0.394 115.329 115.700 0.037 0.000 2.399 448 S HA -0.149 4.321 4.470 0.001 0.000 0.231 448 S C 2.094 176.710 174.600 0.026 0.000 1.022 448 S CA 1.569 59.786 58.200 0.028 0.000 0.983 448 S CB -0.323 62.892 63.200 0.025 0.000 0.803 448 S HN 0.350 nan 8.310 nan 0.000 0.480 449 S N 0.847 116.567 115.700 0.033 0.000 2.371 449 S HA -0.018 4.452 4.470 0.001 0.000 0.224 449 S C 1.848 176.458 174.600 0.016 0.000 1.029 449 S CA 1.105 59.322 58.200 0.027 0.000 0.978 449 S CB -0.662 62.562 63.200 0.040 0.000 0.833 449 S HN 0.409 nan 8.310 nan 0.000 0.466 450 V N 1.621 121.547 119.914 0.020 0.000 2.343 450 V HA -0.135 3.986 4.120 0.001 0.000 0.247 450 V C 2.720 178.817 176.094 0.006 0.000 1.051 450 V CA 2.305 64.610 62.300 0.009 0.000 1.036 450 V CB -1.354 30.480 31.823 0.018 0.000 0.654 450 V HN 0.561 nan 8.190 nan 0.000 0.451 451 T N -0.541 114.021 114.554 0.014 0.000 2.746 451 T HA -0.198 4.152 4.350 0.001 0.000 0.267 451 T C 1.974 176.677 174.700 0.006 0.000 1.039 451 T CA 2.107 64.214 62.100 0.011 0.000 1.142 451 T CB -0.359 68.518 68.868 0.016 0.000 0.866 451 T HN 0.545 nan 8.240 nan 0.000 0.444 452 T N 2.235 116.793 114.554 0.006 0.000 2.684 452 T HA -0.141 4.209 4.350 0.001 0.000 0.267 452 T C 2.161 176.858 174.700 -0.005 0.000 1.036 452 T CA 1.274 63.375 62.100 0.002 0.000 1.148 452 T CB -0.343 68.527 68.868 0.004 0.000 0.863 452 T HN 0.478 nan 8.240 nan 0.000 0.436 453 Q N 0.165 119.959 119.800 -0.009 0.000 2.096 453 Q HA -0.072 4.268 4.340 0.001 0.000 0.204 453 Q C 2.368 178.356 176.000 -0.021 0.000 0.982 453 Q CA 1.364 57.155 55.803 -0.019 0.000 0.850 453 Q CB -0.427 28.293 28.738 -0.029 0.000 0.901 453 Q HN 0.533 nan 8.270 nan 0.000 0.422 454 I N 0.671 121.232 120.570 -0.016 0.000 2.208 454 I HA -0.287 3.884 4.170 0.001 0.000 0.245 454 I C 2.062 178.173 176.117 -0.010 0.000 1.097 454 I CA 1.305 62.596 61.300 -0.014 0.000 1.363 454 I CB -0.245 37.751 38.000 -0.007 0.000 1.051 454 I HN 0.251 nan 8.210 nan 0.000 0.413 455 E N 0.395 120.591 120.200 -0.006 0.000 2.077 455 E HA -0.258 4.092 4.350 0.001 0.000 0.193 455 E C 2.251 178.847 176.600 -0.006 0.000 0.989 455 E CA 1.139 57.536 56.400 -0.004 0.000 0.800 455 E CB -0.088 29.611 29.700 -0.001 0.000 0.746 455 E HN 0.556 nan 8.360 nan 0.000 0.452 456 Q N 0.146 119.940 119.800 -0.009 0.000 2.050 456 Q HA -0.173 4.167 4.340 0.001 0.000 0.202 456 Q C 2.185 178.177 176.000 -0.013 0.000 0.980 456 Q CA 0.898 56.695 55.803 -0.011 0.000 0.840 456 Q CB -0.059 28.671 28.738 -0.013 0.000 0.898 456 Q HN 0.159 nan 8.270 nan 0.000 0.424 457 L N 0.754 121.966 121.223 -0.018 0.000 2.046 457 L HA -0.164 4.176 4.340 0.001 0.000 0.208 457 L C 2.229 179.091 176.870 -0.013 0.000 1.077 457 L CA 1.713 56.542 54.840 -0.019 0.000 0.747 457 L CB -0.597 41.445 42.059 -0.028 0.000 0.896 457 L HN 0.112 nan 8.230 nan 0.000 0.432 458 R N -0.933 119.561 120.500 -0.010 0.000 2.096 458 R HA -0.190 4.151 4.340 0.001 0.000 0.235 458 R C 2.142 178.439 176.300 -0.005 0.000 1.127 458 R CA 1.144 57.241 56.100 -0.006 0.000 0.968 458 R CB -0.129 30.168 30.300 -0.004 0.000 0.861 458 R HN 0.234 nan 8.270 nan 0.000 0.440 459 E N 0.965 121.162 120.200 -0.005 0.000 2.106 459 E HA -0.104 4.246 4.350 0.001 0.000 0.192 459 E C 1.785 178.382 176.600 -0.005 0.000 0.984 459 E CA 1.080 57.477 56.400 -0.005 0.000 0.806 459 E CB -0.123 29.574 29.700 -0.004 0.000 0.750 459 E HN 0.233 nan 8.360 nan 0.000 0.458 460 L N -0.342 120.878 121.223 -0.006 0.000 2.017 460 L HA -0.161 4.180 4.340 0.001 0.000 0.208 460 L C 2.653 179.520 176.870 -0.004 0.000 1.073 460 L CA 1.346 56.183 54.840 -0.005 0.000 0.745 460 L CB -0.423 41.631 42.059 -0.007 0.000 0.894 460 L HN 0.249 nan 8.230 nan 0.000 0.432 461 M N -0.424 119.174 119.600 -0.004 0.000 2.159 461 M HA -0.250 4.230 4.480 0.001 0.000 0.263 461 M C 2.361 178.658 176.300 -0.004 0.000 1.063 461 M CA 1.639 56.937 55.300 -0.002 0.000 1.110 461 M CB -0.388 32.211 32.600 -0.002 0.000 1.374 461 M HN 0.172 nan 8.290 nan 0.000 0.411 462 K N 0.607 121.005 120.400 -0.004 0.000 2.057 462 K HA -0.176 4.144 4.320 0.001 0.000 0.207 462 K C 1.959 178.556 176.600 -0.006 0.000 1.049 462 K CA 1.241 57.525 56.287 -0.005 0.000 0.931 462 K CB 0.161 32.658 32.500 -0.004 0.000 0.714 462 K HN 0.103 nan 8.250 nan 0.000 0.440 463 K N 0.841 121.238 120.400 -0.006 0.000 2.001 463 K HA -0.152 4.168 4.320 0.001 0.000 0.208 463 K C 2.231 178.826 176.600 -0.008 0.000 1.048 463 K CA 1.607 57.890 56.287 -0.006 0.000 0.932 463 K CB -0.436 32.061 32.500 -0.005 0.000 0.715 463 K HN 0.381 nan 8.250 nan 0.000 0.437 464 Q N 0.695 120.491 119.800 -0.007 0.000 2.181 464 Q HA -0.144 4.197 4.340 0.001 0.000 0.205 464 Q C 2.148 178.139 176.000 -0.015 0.000 0.980 464 Q CA 1.405 57.202 55.803 -0.010 0.000 0.862 464 Q CB -0.061 28.674 28.738 -0.005 0.000 0.905 464 Q HN 0.268 nan 8.270 nan 0.000 0.429 465 K N 1.210 121.602 120.400 -0.013 0.000 2.167 465 K HA -0.123 4.197 4.320 0.001 0.000 0.203 465 K C 1.315 177.904 176.600 -0.019 0.000 1.052 465 K CA 1.027 57.304 56.287 -0.017 0.000 0.956 465 K CB 0.236 32.728 32.500 -0.014 0.000 0.735 465 K HN 0.221 nan 8.250 nan 0.000 0.451 466 E N 0.046 120.237 120.200 -0.015 0.000 2.368 466 E HA 0.051 4.401 4.350 0.001 0.000 0.188 466 E C 0.076 176.666 176.600 -0.016 0.000 1.061 466 E CA -0.329 56.062 56.400 -0.015 0.000 0.933 466 E CB 0.273 29.967 29.700 -0.011 0.000 1.091 466 E HN 0.247 nan 8.360 nan 0.000 0.458 467 Q N 0.000 119.789 119.800 -0.018 0.000 2.315 467 Q HA 0.000 4.340 4.340 0.001 0.000 0.214 467 Q CA 0.000 55.792 55.803 -0.019 0.000 1.022 467 Q CB 0.000 nan 28.738 nan 0.000 1.108 467 Q HN 0.000 nan 8.270 nan 0.000 0.481