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 1h2x_1_A DATA FIRST_RESID 1 DATA SEQUENCE MLSFQYPDVY RDETAIQDYH GHKVCDPYAW LEDPDSEQTK AFVEAQNKIT DATA SEQUENCE VPFLEQCPIR GLYKERMTEL YDYPKYSCHF KKGKRYFYFY NTGLQNQRVL DATA SEQUENCE YVQDSLEGEA RVFLDPNILS DDGTVALRGY AFSEDGEYFA YGLSASGSDW DATA SEQUENCE VTIKFMKVDG AKELPDVLER VKFSCMAWTH DGKGMFYNAY PQQDGKSDGT DATA SEQUENCE ETSTNLHQKL YYHVLGTDQS EDILCAEFPD EPKWMGGAEL SDDGRYVLLS DATA SEQUENCE IREGCDPVNR LWYCDLQQES NGITGILKWV KLIDNFEGEY DYVTNEGTVF DATA SEQUENCE TFKTNRHSPN YRLINIDFTD PEESKWKVLV PEHEKDVLEW VACVRSNFLV DATA SEQUENCE LCYLHDVKNT LQLHDLATGA LLKIFPLEVG SVVGYSGQKK DTEIFYQFTS DATA SEQUENCE FLSPGIIYHC DLTKEELEPR VFREVTVKGI DASDYQTVQI FYPSKDGTKI DATA SEQUENCE PMFIVHKKGI KLDGSHPAFL YGFGGFNISI TPNYSVSRLI FVRHMGGVLA DATA SEQUENCE VANIRGGGEY GETWHKGGIL ANKQNCFDDF QCAAEYLIKE GYTSPKRLTI DATA SEQUENCE NGGSNGGLLV ATCANQRPDL FGCVIAQVGV MDMLKFHKYT IGHAWTTDYG DATA SEQUENCE CSDSKQHFEW LIKYSPLHNV KLPEADDIQY PSMLLLTADH DDRVVPLHSL DATA SEQUENCE KFIATLQYIV GRSRKQNNPL LIHVDTKAGH GAGKPTAKVI EEVSDMFAFI DATA SEQUENCE ARCLNIDWIP 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.324 176.300 0.040 0.000 1.140 1 M CA 0.000 55.327 55.300 0.044 0.000 0.988 1 M CB 0.000 32.662 32.600 0.104 0.000 1.302 2 L N 3.454 124.621 121.223 -0.094 0.000 2.623 2 L HA 0.177 4.518 4.340 0.001 0.000 0.281 2 L C 0.803 177.410 176.870 -0.439 0.000 1.150 2 L CA 0.717 55.297 54.840 -0.434 0.000 0.965 2 L CB 0.333 41.994 42.059 -0.662 0.000 1.303 2 L HN 0.432 nan 8.230 nan 0.000 0.467 3 S N 2.330 117.877 115.700 -0.255 0.000 2.506 3 S HA 0.434 4.905 4.470 0.001 0.000 0.245 3 S C -0.124 174.466 174.600 -0.018 0.000 1.088 3 S CA -0.701 57.438 58.200 -0.103 0.000 1.099 3 S CB -0.616 62.599 63.200 0.025 0.000 0.805 3 S HN 0.309 nan 8.310 nan 0.000 0.461 4 F N -1.257 118.657 119.950 -0.059 0.000 2.675 4 F HA 0.729 5.257 4.527 0.001 0.000 0.324 4 F C -0.789 174.900 175.800 -0.185 0.000 1.106 4 F CA -1.326 56.619 58.000 -0.092 0.000 0.970 4 F CB 1.129 40.083 39.000 -0.076 0.000 1.385 4 F HN 0.061 nan 8.300 nan 0.000 0.489 5 Q N 1.163 121.053 119.800 0.149 0.000 2.337 5 Q HA 0.373 4.713 4.340 0.001 0.000 0.266 5 Q C -1.814 174.253 176.000 0.111 0.000 1.023 5 Q CA -0.830 54.988 55.803 0.025 0.000 0.829 5 Q CB 1.649 30.413 28.738 0.042 0.000 1.306 5 Q HN 0.763 nan 8.270 nan 0.000 0.449 6 Y N 3.069 123.485 120.300 0.193 0.000 2.497 6 Y HA 0.189 4.739 4.550 0.001 0.000 0.334 6 Y C -1.777 174.165 175.900 0.070 0.000 1.199 6 Y CA -1.483 56.692 58.100 0.125 0.000 1.425 6 Y CB -0.044 38.471 38.460 0.093 0.000 1.291 6 Y HN 0.537 nan 8.280 nan 0.000 0.562 7 P HA -0.005 nan 4.420 nan 0.000 0.269 7 P C -0.871 176.523 177.300 0.156 0.000 1.215 7 P CA -0.121 63.043 63.100 0.108 0.000 0.780 7 P CB 0.586 32.280 31.700 -0.011 0.000 0.898 8 D N 0.808 121.302 120.400 0.157 0.000 2.390 8 D HA 0.194 4.834 4.640 0.001 0.000 0.249 8 D C -0.423 176.035 176.300 0.264 0.000 1.144 8 D CA 0.467 54.584 54.000 0.194 0.000 0.880 8 D CB 0.392 41.288 40.800 0.160 0.000 1.182 8 D HN -0.061 nan 8.370 nan 0.000 0.451 9 V N 3.517 123.628 119.914 0.328 0.000 2.524 9 V HA 0.058 4.178 4.120 0.001 0.000 0.297 9 V C -0.556 175.852 176.094 0.524 0.000 1.035 9 V CA -1.080 61.518 62.300 0.497 0.000 0.867 9 V CB 1.211 33.309 31.823 0.458 0.000 1.004 9 V HN 0.418 nan 8.190 nan 0.000 0.426 10 Y N 5.429 125.966 120.300 0.395 0.000 2.610 10 Y HA 0.289 4.840 4.550 0.001 0.000 0.332 10 Y C 0.739 176.877 175.900 0.397 0.000 1.201 10 Y CA 0.151 58.382 58.100 0.219 0.000 1.465 10 Y CB 0.485 38.873 38.460 -0.121 0.000 1.283 10 Y HN 0.556 nan 8.280 nan 0.000 0.563 11 R N 4.719 124.833 120.500 -0.644 0.000 2.246 11 R HA 0.117 4.458 4.340 0.001 0.000 0.332 11 R C -1.127 174.629 176.300 -0.906 0.000 0.974 11 R CA -0.791 54.911 56.100 -0.663 0.000 0.837 11 R CB 0.589 30.509 30.300 -0.634 0.000 1.145 11 R HN 0.607 nan 8.270 nan 0.000 0.467 12 D N 3.194 123.343 120.400 -0.419 0.000 2.483 12 D HA -0.001 4.639 4.640 0.001 0.000 0.220 12 D C 0.489 176.683 176.300 -0.176 0.000 1.173 12 D CA -0.009 53.893 54.000 -0.162 0.000 0.964 12 D CB 0.724 41.623 40.800 0.165 0.000 1.046 12 D HN 0.403 nan 8.370 nan 0.000 0.517 13 E N 1.398 121.473 120.200 -0.208 0.000 2.515 13 E HA -0.095 4.256 4.350 0.001 0.000 0.201 13 E C 1.475 178.031 176.600 -0.074 0.000 1.071 13 E CA 0.595 56.906 56.400 -0.148 0.000 0.880 13 E CB -0.054 29.566 29.700 -0.134 0.000 0.828 13 E HN 0.589 nan 8.360 nan 0.000 0.540 14 T N -2.343 112.187 114.554 -0.040 0.000 3.081 14 T HA 0.261 4.612 4.350 0.001 0.000 0.250 14 T C 1.178 175.870 174.700 -0.014 0.000 1.100 14 T CA 0.187 62.277 62.100 -0.016 0.000 1.038 14 T CB 0.184 69.056 68.868 0.006 0.000 0.962 14 T HN 0.054 nan 8.240 nan 0.000 0.516 15 A N 1.955 124.765 122.820 -0.017 0.000 2.981 15 A HA 0.583 4.903 4.320 0.001 0.000 0.280 15 A C 0.023 177.597 177.584 -0.016 0.000 1.743 15 A CA -0.453 51.580 52.037 -0.007 0.000 1.430 15 A CB -1.158 17.846 19.000 0.005 0.000 1.085 15 A HN 0.682 nan 8.150 nan 0.000 0.597 16 I N 0.886 121.444 120.570 -0.021 0.000 2.433 16 I HA 0.385 4.555 4.170 0.001 0.000 0.292 16 I C 0.017 176.109 176.117 -0.042 0.000 1.001 16 I CA -0.359 60.926 61.300 -0.024 0.000 1.119 16 I CB 1.966 39.947 38.000 -0.031 0.000 1.289 16 I HN 0.633 nan 8.210 nan 0.000 0.438 17 Q N 4.355 124.131 119.800 -0.040 0.000 2.347 17 Q HA 0.326 4.667 4.340 0.001 0.000 0.271 17 Q C -1.628 174.278 176.000 -0.156 0.000 1.064 17 Q CA -0.792 54.933 55.803 -0.130 0.000 0.800 17 Q CB 2.677 31.309 28.738 -0.175 0.000 1.304 17 Q HN 0.663 nan 8.270 nan 0.000 0.438 18 D N 2.020 122.269 120.400 -0.253 0.000 2.280 18 D HA 0.216 4.856 4.640 0.001 0.000 0.243 18 D C -1.636 174.405 176.300 -0.431 0.000 1.129 18 D CA -0.052 53.806 54.000 -0.237 0.000 0.848 18 D CB 0.509 41.194 40.800 -0.192 0.000 1.107 18 D HN 0.361 nan 8.370 nan 0.000 0.471 19 Y N 3.984 124.020 120.300 -0.439 0.000 2.587 19 Y HA 0.236 4.787 4.550 0.001 0.000 0.328 19 Y C 0.033 175.485 175.900 -0.746 0.000 0.980 19 Y CA -0.696 56.942 58.100 -0.770 0.000 1.272 19 Y CB 0.479 38.298 38.460 -1.068 0.000 1.094 19 Y HN 0.558 nan 8.280 nan 0.000 0.503 20 H N 1.915 120.818 119.070 -0.278 0.000 2.713 20 H HA -0.231 4.326 4.556 0.001 0.000 0.311 20 H C 1.438 176.700 175.328 -0.110 0.000 1.175 20 H CA 1.084 57.017 56.048 -0.192 0.000 1.143 20 H CB -1.409 28.231 29.762 -0.203 0.000 1.434 20 H HN 1.089 nan 8.280 nan 0.000 0.418 21 G N -0.632 108.143 108.800 -0.041 0.000 2.234 21 G HA2 -0.324 3.636 3.960 0.001 0.000 0.235 21 G HA3 -0.324 3.636 3.960 0.001 0.000 0.235 21 G C 0.008 174.963 174.900 0.092 0.000 0.997 21 G CA 0.496 45.609 45.100 0.021 0.000 0.623 21 G HN 0.818 nan 8.290 nan 0.000 0.514 22 H N 2.188 121.238 119.070 -0.034 0.000 2.604 22 H HA 0.619 5.176 4.556 0.001 0.000 0.306 22 H C 0.099 175.456 175.328 0.048 0.000 1.075 22 H CA -0.682 55.392 56.048 0.043 0.000 1.357 22 H CB 0.663 30.520 29.762 0.159 0.000 1.426 22 H HN 0.010 nan 8.280 nan 0.000 0.470 23 K N 4.893 125.239 120.400 -0.090 0.000 2.312 23 K HA 0.245 4.566 4.320 0.001 0.000 0.287 23 K C -0.723 175.694 176.600 -0.306 0.000 1.062 23 K CA -0.542 55.659 56.287 -0.142 0.000 0.934 23 K CB 1.284 33.759 32.500 -0.042 0.000 1.027 23 K HN 0.304 nan 8.250 nan 0.000 0.478 24 V N 3.714 123.546 119.914 -0.138 0.000 2.409 24 V HA 0.195 4.316 4.120 0.001 0.000 0.291 24 V C -0.185 175.924 176.094 0.025 0.000 1.020 24 V CA -0.935 61.320 62.300 -0.074 0.000 0.848 24 V CB 1.625 33.457 31.823 0.015 0.000 0.990 24 V HN 0.789 nan 8.190 nan 0.000 0.430 25 C N 3.354 122.667 119.300 0.021 0.000 2.330 25 C HA 0.512 4.972 4.460 0.001 0.000 0.344 25 C C 0.425 175.427 174.990 0.020 0.000 1.273 25 C CA -0.400 58.620 59.018 0.004 0.000 1.879 25 C CB 0.525 28.249 27.740 -0.027 0.000 2.376 25 C HN 0.907 nan 8.230 nan 0.000 0.534 26 D N 2.912 123.308 120.400 -0.007 0.000 2.502 26 D HA 0.269 4.909 4.640 0.001 0.000 0.301 26 D C -1.152 175.067 176.300 -0.136 0.000 1.202 26 D CA -1.392 52.595 54.000 -0.021 0.000 0.878 26 D CB 0.756 41.593 40.800 0.060 0.000 1.062 26 D HN 0.310 nan 8.370 nan 0.000 0.499 27 P HA -0.140 nan 4.420 nan 0.000 0.225 27 P C 0.222 177.189 177.300 -0.554 0.000 1.148 27 P CA 0.768 63.571 63.100 -0.495 0.000 0.779 27 P CB 0.070 31.315 31.700 -0.759 0.000 0.780 28 Y N -1.063 119.110 120.300 -0.211 0.000 2.658 28 Y HA 0.502 5.053 4.550 0.001 0.000 0.276 28 Y C 2.275 177.804 175.900 -0.619 0.000 1.167 28 Y CA -0.588 57.166 58.100 -0.576 0.000 1.230 28 Y CB -0.912 37.201 38.460 -0.578 0.000 1.144 28 Y HN -0.067 nan 8.280 nan 0.000 0.529 29 A N 1.198 123.907 122.820 -0.184 0.000 1.986 29 A HA -0.192 4.128 4.320 0.001 0.000 0.220 29 A C 1.908 179.450 177.584 -0.070 0.000 1.171 29 A CA 1.698 53.684 52.037 -0.084 0.000 0.640 29 A CB -1.055 17.960 19.000 0.025 0.000 0.811 29 A HN 0.813 nan 8.150 nan 0.000 0.451 30 W N -0.541 120.758 121.300 -0.002 0.000 2.468 30 W HA -0.027 4.633 4.660 0.001 0.000 0.262 30 W C 0.915 177.399 176.519 -0.059 0.000 1.241 30 W CA 0.572 57.910 57.345 -0.011 0.000 1.232 30 W CB -1.012 28.464 29.460 0.027 0.000 1.124 30 W HN 0.239 nan 8.180 nan 0.000 0.597 31 L N 1.186 122.052 121.223 -0.595 0.000 2.622 31 L HA -0.055 4.286 4.340 0.001 0.000 0.233 31 L C 2.092 178.776 176.870 -0.311 0.000 1.156 31 L CA 0.942 55.429 54.840 -0.589 0.000 0.866 31 L CB -0.466 41.000 42.059 -0.989 0.000 0.980 31 L HN -0.012 nan 8.230 nan 0.000 0.448 32 E N -0.644 119.425 120.200 -0.218 0.000 2.347 32 E HA -0.124 4.226 4.350 0.001 0.000 0.196 32 E C 0.395 176.915 176.600 -0.133 0.000 1.008 32 E CA 0.224 56.496 56.400 -0.213 0.000 0.852 32 E CB 0.125 29.740 29.700 -0.142 0.000 0.783 32 E HN 0.218 nan 8.360 nan 0.000 0.505 33 D N 0.758 121.133 120.400 -0.043 0.000 2.380 33 D HA 0.032 4.672 4.640 0.001 0.000 0.230 33 D C -1.611 174.686 176.300 -0.005 0.000 1.154 33 D CA -2.540 51.460 54.000 0.000 0.000 0.859 33 D CB 1.195 42.029 40.800 0.057 0.000 1.045 33 D HN -0.099 nan 8.370 nan 0.000 0.495 34 P HA -0.026 nan 4.420 nan 0.000 0.229 34 P C 0.203 177.505 177.300 0.003 0.000 1.160 34 P CA 0.566 63.651 63.100 -0.025 0.000 0.777 34 P CB 0.667 32.336 31.700 -0.051 0.000 0.814 35 D N -0.182 120.224 120.400 0.010 0.000 2.354 35 D HA -0.001 4.640 4.640 0.001 0.000 0.209 35 D C 1.054 177.373 176.300 0.031 0.000 1.015 35 D CA 0.397 54.407 54.000 0.016 0.000 0.867 35 D CB 0.094 40.900 40.800 0.009 0.000 0.933 35 D HN 0.261 nan 8.370 nan 0.000 0.520 36 S N 0.787 116.517 115.700 0.050 0.000 2.593 36 S HA 0.054 4.524 4.470 0.001 0.000 0.269 36 S C 1.266 175.904 174.600 0.063 0.000 1.334 36 S CA -0.422 57.812 58.200 0.056 0.000 1.015 36 S CB 1.909 65.159 63.200 0.084 0.000 0.912 36 S HN -0.138 nan 8.310 nan 0.000 0.541 37 E N 1.700 121.922 120.200 0.038 0.000 2.153 37 E HA -0.149 4.202 4.350 0.001 0.000 0.194 37 E C 2.048 178.687 176.600 0.064 0.000 0.988 37 E CA 1.345 57.767 56.400 0.036 0.000 0.811 37 E CB -0.475 29.228 29.700 0.006 0.000 0.746 37 E HN 0.792 nan 8.360 nan 0.000 0.466 38 Q N -0.093 119.740 119.800 0.055 0.000 2.050 38 Q HA -0.077 4.264 4.340 0.001 0.000 0.202 38 Q C 2.235 178.438 176.000 0.339 0.000 0.980 38 Q CA 1.960 57.809 55.803 0.077 0.000 0.840 38 Q CB -0.527 28.122 28.738 -0.147 0.000 0.898 38 Q HN 0.174 nan 8.270 nan 0.000 0.424 39 T N 0.670 115.429 114.554 0.342 0.000 2.777 39 T HA -0.080 4.271 4.350 0.001 0.000 0.266 39 T C 1.505 176.357 174.700 0.253 0.000 1.040 39 T CA 1.106 63.393 62.100 0.312 0.000 1.141 39 T CB -0.085 68.876 68.868 0.155 0.000 0.868 39 T HN 0.202 nan 8.240 nan 0.000 0.444 40 K N 1.203 121.703 120.400 0.167 0.000 2.097 40 K HA 0.033 4.354 4.320 0.001 0.000 0.206 40 K C 2.627 179.309 176.600 0.136 0.000 1.049 40 K CA 1.180 57.541 56.287 0.122 0.000 0.933 40 K CB -0.241 32.305 32.500 0.076 0.000 0.717 40 K HN 0.274 nan 8.250 nan 0.000 0.442 41 A N 0.966 123.879 122.820 0.156 0.000 1.930 41 A HA -0.152 4.168 4.320 0.001 0.000 0.217 41 A C 1.954 179.646 177.584 0.179 0.000 1.175 41 A CA 0.960 53.079 52.037 0.136 0.000 0.627 41 A CB -0.598 18.472 19.000 0.116 0.000 0.815 41 A HN 0.359 nan 8.150 nan 0.000 0.443 42 F N 0.700 120.724 119.950 0.123 0.000 2.102 42 F HA -0.162 4.365 4.527 0.001 0.000 0.298 42 F C 2.195 178.017 175.800 0.036 0.000 1.105 42 F CA 2.075 60.145 58.000 0.116 0.000 1.239 42 F CB -0.277 38.824 39.000 0.168 0.000 0.991 42 F HN 0.027 nan 8.300 nan 0.000 0.474 43 V N 0.763 120.808 119.914 0.219 0.000 2.295 43 V HA -0.272 3.848 4.120 0.001 0.000 0.246 43 V C 2.443 178.497 176.094 -0.066 0.000 1.049 43 V CA 2.201 64.529 62.300 0.048 0.000 1.024 43 V CB -0.690 31.189 31.823 0.093 0.000 0.648 43 V HN 0.341 nan 8.190 nan 0.000 0.447 44 E N 0.279 120.469 120.200 -0.017 0.000 2.077 44 E HA -0.207 4.143 4.350 0.001 0.000 0.193 44 E C 2.372 178.933 176.600 -0.064 0.000 0.989 44 E CA 1.553 57.936 56.400 -0.029 0.000 0.800 44 E CB -0.415 29.288 29.700 0.005 0.000 0.746 44 E HN 0.584 nan 8.360 nan 0.000 0.452 45 A N 1.395 124.164 122.820 -0.085 0.000 1.933 45 A HA -0.194 4.127 4.320 0.001 0.000 0.218 45 A C 2.130 179.610 177.584 -0.174 0.000 1.175 45 A CA 1.165 53.139 52.037 -0.105 0.000 0.628 45 A CB -0.251 18.696 19.000 -0.088 0.000 0.814 45 A HN 0.110 nan 8.150 nan 0.000 0.444 46 Q N 0.007 119.631 119.800 -0.293 0.000 2.049 46 Q HA -0.111 4.230 4.340 0.001 0.000 0.198 46 Q C 1.697 177.586 176.000 -0.185 0.000 0.971 46 Q CA 1.333 56.952 55.803 -0.306 0.000 0.833 46 Q CB -0.547 27.916 28.738 -0.460 0.000 0.896 46 Q HN 0.632 nan 8.270 nan 0.000 0.434 47 N N 1.134 119.747 118.700 -0.144 0.000 2.223 47 N HA -0.140 4.600 4.740 0.001 0.000 0.185 47 N C 1.566 177.055 175.510 -0.036 0.000 1.016 47 N CA 0.860 53.870 53.050 -0.067 0.000 0.863 47 N CB -0.166 38.275 38.487 -0.077 0.000 0.983 47 N HN 0.275 nan 8.380 nan 0.000 0.429 48 K N 1.127 121.491 120.400 -0.059 0.000 2.147 48 K HA -0.085 4.236 4.320 0.001 0.000 0.205 48 K C 1.888 178.450 176.600 -0.063 0.000 1.049 48 K CA 1.015 57.278 56.287 -0.040 0.000 0.936 48 K CB 0.006 32.486 32.500 -0.033 0.000 0.722 48 K HN 0.344 nan 8.250 nan 0.000 0.446 49 I N -3.234 117.256 120.570 -0.134 0.000 2.867 49 I HA 0.003 4.174 4.170 0.001 0.000 0.265 49 I C 1.625 177.573 176.117 -0.281 0.000 1.162 49 I CA 0.463 61.605 61.300 -0.264 0.000 1.471 49 I CB -0.320 37.396 38.000 -0.474 0.000 1.123 49 I HN -0.135 nan 8.210 nan 0.000 0.440 50 T N 1.809 116.256 114.554 -0.179 0.000 2.737 50 T HA -0.060 4.291 4.350 0.001 0.000 0.265 50 T C 2.125 176.857 174.700 0.053 0.000 1.038 50 T CA 1.748 63.804 62.100 -0.073 0.000 1.144 50 T CB -0.291 68.559 68.868 -0.029 0.000 0.866 50 T HN 0.196 nan 8.240 nan 0.000 0.434 51 V N 2.300 122.246 119.914 0.054 0.000 2.255 51 V HA -0.120 4.000 4.120 0.001 0.000 0.247 51 V C -0.488 175.639 176.094 0.055 0.000 1.051 51 V CA 1.788 64.120 62.300 0.053 0.000 1.018 51 V CB -1.590 30.269 31.823 0.060 0.000 0.641 51 V HN 0.364 nan 8.190 nan 0.000 0.445 52 P HA -0.149 nan 4.420 nan 0.000 0.218 52 P C 1.681 179.035 177.300 0.090 0.000 1.149 52 P CA 1.273 64.408 63.100 0.058 0.000 0.817 52 P CB -0.106 31.629 31.700 0.059 0.000 0.785 53 F N 0.132 120.081 119.950 -0.002 0.000 2.134 53 F HA -0.130 4.397 4.527 0.001 0.000 0.299 53 F C 1.829 177.678 175.800 0.082 0.000 1.097 53 F CA 1.456 59.493 58.000 0.061 0.000 1.264 53 F CB -0.631 38.397 39.000 0.047 0.000 1.001 53 F HN -0.252 nan 8.300 nan 0.000 0.479 54 L N -0.365 120.977 121.223 0.199 0.000 2.217 54 L HA -0.103 4.238 4.340 0.001 0.000 0.211 54 L C 1.834 178.703 176.870 -0.002 0.000 1.107 54 L CA 1.229 56.138 54.840 0.115 0.000 0.783 54 L CB -0.536 41.589 42.059 0.110 0.000 0.919 54 L HN 0.154 nan 8.230 nan 0.000 0.442 55 E N -0.684 119.509 120.200 -0.011 0.000 2.472 55 E HA -0.116 4.235 4.350 0.001 0.000 0.196 55 E C 1.825 178.397 176.600 -0.046 0.000 1.033 55 E CA -0.097 56.287 56.400 -0.027 0.000 0.886 55 E CB 0.285 29.977 29.700 -0.012 0.000 0.944 55 E HN 0.424 nan 8.360 nan 0.000 0.492 56 Q N 0.537 120.294 119.800 -0.072 0.000 2.061 56 Q HA -0.125 4.215 4.340 0.001 0.000 0.204 56 Q C 0.418 176.371 176.000 -0.078 0.000 0.984 56 Q CA 0.997 56.754 55.803 -0.075 0.000 0.846 56 Q CB 0.110 28.786 28.738 -0.103 0.000 0.902 56 Q HN 0.232 nan 8.270 nan 0.000 0.421 57 C N 1.746 120.984 119.300 -0.103 0.000 2.601 57 C HA 0.158 4.619 4.460 0.001 0.000 0.409 57 C C -1.216 173.737 174.990 -0.061 0.000 1.293 57 C CA -1.300 57.672 59.018 -0.076 0.000 2.101 57 C CB 0.524 28.216 27.740 -0.080 0.000 2.639 57 C HN 0.474 nan 8.230 nan 0.000 0.592 58 P HA -0.074 nan 4.420 nan 0.000 0.225 58 P C 1.443 178.668 177.300 -0.124 0.000 1.148 58 P CA 0.822 63.874 63.100 -0.079 0.000 0.779 58 P CB -0.024 31.636 31.700 -0.067 0.000 0.780 59 I N -0.491 120.025 120.570 -0.089 0.000 2.335 59 I HA -0.271 3.899 4.170 0.001 0.000 0.251 59 I C 2.436 178.485 176.117 -0.112 0.000 1.129 59 I CA 1.258 62.490 61.300 -0.114 0.000 1.402 59 I CB -0.015 38.025 38.000 0.066 0.000 1.069 59 I HN -0.156 nan 8.210 nan 0.000 0.424 60 R N 0.478 120.948 120.500 -0.050 0.000 2.081 60 R HA -0.158 4.182 4.340 0.001 0.000 0.235 60 R C 2.218 178.493 176.300 -0.041 0.000 1.131 60 R CA 1.681 57.773 56.100 -0.013 0.000 0.960 60 R CB -0.613 29.678 30.300 -0.014 0.000 0.856 60 R HN 0.494 nan 8.270 nan 0.000 0.436 61 G N 0.786 109.527 108.800 -0.099 0.000 2.408 61 G HA2 -0.201 3.760 3.960 0.001 0.000 0.217 61 G HA3 -0.201 3.760 3.960 0.001 0.000 0.217 61 G C 1.465 176.235 174.900 -0.216 0.000 1.150 61 G CA 0.449 45.479 45.100 -0.117 0.000 0.776 61 G HN 0.223 nan 8.290 nan 0.000 0.542 62 L N -1.122 119.862 121.223 -0.398 0.000 2.056 62 L HA -0.052 4.289 4.340 0.001 0.000 0.207 62 L C 2.560 178.927 176.870 -0.837 0.000 1.078 62 L CA 1.178 55.558 54.840 -0.766 0.000 0.749 62 L CB -0.460 40.770 42.059 -1.382 0.000 0.901 62 L HN 0.267 nan 8.230 nan 0.000 0.433 63 Y N 0.971 120.828 120.300 -0.738 0.000 2.145 63 Y HA -0.302 4.248 4.550 0.001 0.000 0.286 63 Y C 2.741 178.570 175.900 -0.118 0.000 1.145 63 Y CA 1.883 59.799 58.100 -0.307 0.000 1.148 63 Y CB -0.109 38.341 38.460 -0.017 0.000 0.981 63 Y HN 0.010 nan 8.280 nan 0.000 0.507 64 K N 0.409 120.871 120.400 0.104 0.000 2.063 64 K HA -0.282 4.039 4.320 0.001 0.000 0.208 64 K C 2.228 178.815 176.600 -0.022 0.000 1.048 64 K CA 1.937 58.274 56.287 0.083 0.000 0.928 64 K CB -0.330 32.204 32.500 0.057 0.000 0.713 64 K HN 0.542 nan 8.250 nan 0.000 0.442 65 E N 0.161 120.310 120.200 -0.085 0.000 2.077 65 E HA -0.251 4.099 4.350 0.001 0.000 0.193 65 E C 2.141 178.699 176.600 -0.070 0.000 0.989 65 E CA 1.047 57.403 56.400 -0.074 0.000 0.800 65 E CB -0.002 29.637 29.700 -0.102 0.000 0.746 65 E HN 0.103 nan 8.360 nan 0.000 0.452 66 R N 0.236 120.660 120.500 -0.126 0.000 2.092 66 R HA -0.098 4.242 4.340 0.001 0.000 0.231 66 R C 2.217 178.456 176.300 -0.102 0.000 1.119 66 R CA 1.630 57.670 56.100 -0.101 0.000 0.970 66 R CB -0.482 29.761 30.300 -0.094 0.000 0.864 66 R HN 0.269 nan 8.270 nan 0.000 0.440 67 M N -0.434 119.059 119.600 -0.179 0.000 2.132 67 M HA -0.077 4.403 4.480 0.001 0.000 0.263 67 M C 1.637 177.970 176.300 0.055 0.000 1.065 67 M CA 1.991 57.228 55.300 -0.106 0.000 1.122 67 M CB -0.539 32.008 32.600 -0.088 0.000 1.365 67 M HN 0.118 nan 8.290 nan 0.000 0.411 68 T N 0.398 114.982 114.554 0.050 0.000 2.833 68 T HA -0.126 4.224 4.350 0.001 0.000 0.269 68 T C 1.611 176.370 174.700 0.098 0.000 1.054 68 T CA 1.785 63.940 62.100 0.091 0.000 1.135 68 T CB -0.259 68.641 68.868 0.054 0.000 0.869 68 T HN 0.544 nan 8.240 nan 0.000 0.466 69 E N 0.669 120.912 120.200 0.071 0.000 2.028 69 E HA 0.052 4.403 4.350 0.001 0.000 0.190 69 E C 2.224 178.900 176.600 0.126 0.000 0.984 69 E CA 0.739 57.186 56.400 0.079 0.000 0.800 69 E CB -0.172 29.561 29.700 0.055 0.000 0.758 69 E HN 0.368 nan 8.360 nan 0.000 0.448 70 L N -0.035 121.271 121.223 0.139 0.000 2.156 70 L HA -0.134 4.206 4.340 0.001 0.000 0.208 70 L C 2.380 179.469 176.870 0.365 0.000 1.095 70 L CA 0.692 55.651 54.840 0.198 0.000 0.770 70 L CB -0.233 41.910 42.059 0.140 0.000 0.914 70 L HN 0.198 nan 8.230 nan 0.000 0.439 71 Y N 0.605 121.012 120.300 0.178 0.000 2.571 71 Y HA -0.101 4.450 4.550 0.001 0.000 0.294 71 Y C 1.055 177.037 175.900 0.137 0.000 1.141 71 Y CA 0.119 58.351 58.100 0.220 0.000 1.308 71 Y CB -0.298 38.219 38.460 0.096 0.000 1.002 71 Y HN 0.088 nan 8.280 nan 0.000 0.551 72 D N 1.161 121.656 120.400 0.159 0.000 2.545 72 D HA 0.052 4.692 4.640 0.001 0.000 0.227 72 D C -1.209 175.152 176.300 0.101 0.000 1.150 72 D CA 0.192 54.203 54.000 0.019 0.000 1.046 72 D CB -1.223 39.607 40.800 0.050 0.000 1.098 72 D HN 0.340 nan 8.370 nan 0.000 0.502 73 Y N -0.128 120.137 120.300 -0.059 0.000 2.534 73 Y HA 0.645 5.195 4.550 0.001 0.000 0.345 73 Y C -2.908 172.973 175.900 -0.033 0.000 1.031 73 Y CA -2.955 55.139 58.100 -0.010 0.000 1.022 73 Y CB 0.779 39.262 38.460 0.038 0.000 1.292 73 Y HN -0.070 nan 8.280 nan 0.000 0.459 74 P HA 0.120 nan 4.420 nan 0.000 0.267 74 P C -1.419 175.923 177.300 0.071 0.000 1.209 74 P CA 0.012 63.169 63.100 0.096 0.000 0.763 74 P CB 0.905 32.778 31.700 0.287 0.000 0.816 75 K N 3.609 123.929 120.400 -0.132 0.000 2.425 75 K HA 0.428 4.748 4.320 0.001 0.000 0.259 75 K C -0.712 175.917 176.600 0.048 0.000 0.978 75 K CA -0.422 55.843 56.287 -0.036 0.000 0.883 75 K CB 1.105 33.477 32.500 -0.213 0.000 1.110 75 K HN 0.368 nan 8.250 nan 0.000 0.436 76 Y N 0.248 120.706 120.300 0.264 0.000 2.509 76 Y HA 0.361 4.911 4.550 0.001 0.000 0.341 76 Y C 0.745 176.807 175.900 0.270 0.000 1.038 76 Y CA -0.689 57.583 58.100 0.286 0.000 1.089 76 Y CB 2.056 40.592 38.460 0.126 0.000 1.241 76 Y HN 0.590 nan 8.280 nan 0.000 0.468 77 S N 0.055 116.069 115.700 0.523 0.000 2.718 77 S HA 0.536 5.007 4.470 0.001 0.000 0.300 77 S C -0.421 174.411 174.600 0.387 0.000 1.117 77 S CA -0.893 57.570 58.200 0.439 0.000 1.002 77 S CB 0.894 64.425 63.200 0.552 0.000 1.092 77 S HN 0.703 nan 8.310 nan 0.000 0.542 78 C N 1.888 121.378 119.300 0.316 0.000 2.703 78 C HA 0.308 4.769 4.460 0.001 0.000 0.411 78 C C 0.854 175.927 174.990 0.137 0.000 1.290 78 C CA 0.045 59.177 59.018 0.189 0.000 2.054 78 C CB -1.355 26.507 27.740 0.203 0.000 2.732 78 C HN 0.880 nan 8.230 nan 0.000 0.650 79 H N 0.972 119.736 119.070 -0.510 0.000 2.690 79 H HA 0.502 5.059 4.556 0.001 0.000 0.365 79 H C -0.202 174.968 175.328 -0.264 0.000 1.142 79 H CA 0.650 56.373 56.048 -0.542 0.000 1.417 79 H CB 0.353 29.344 29.762 -1.285 0.000 1.446 79 H HN 0.556 nan 8.280 nan 0.000 0.599 80 F N -0.771 119.179 119.950 0.000 0.000 2.596 80 F HA 0.478 5.006 4.527 0.001 0.000 0.311 80 F C -0.975 174.855 175.800 0.049 0.000 1.116 80 F CA -1.256 56.776 58.000 0.054 0.000 0.957 80 F CB 1.230 40.267 39.000 0.062 0.000 1.250 80 F HN 0.242 nan 8.300 nan 0.000 0.444 81 K N 2.810 123.250 120.400 0.067 0.000 2.156 81 K HA 0.508 4.829 4.320 0.001 0.000 0.271 81 K C -1.142 175.382 176.600 -0.127 0.000 0.995 81 K CA -0.822 55.306 56.287 -0.264 0.000 0.890 81 K CB 0.960 33.166 32.500 -0.490 0.000 1.073 81 K HN 0.621 nan 8.250 nan 0.000 0.454 82 K N 2.436 122.713 120.400 -0.205 0.000 2.545 82 K HA 0.291 4.612 4.320 0.001 0.000 0.252 82 K C 0.069 176.576 176.600 -0.156 0.000 0.948 82 K CA -0.157 55.990 56.287 -0.234 0.000 0.827 82 K CB 1.456 33.528 32.500 -0.713 0.000 1.128 82 K HN 0.955 nan 8.250 nan 0.000 0.429 83 G N 3.856 112.589 108.800 -0.112 0.000 2.583 83 G HA2 -0.404 3.556 3.960 0.001 0.000 0.292 83 G HA3 -0.404 3.556 3.960 0.001 0.000 0.292 83 G C 0.380 175.205 174.900 -0.126 0.000 1.203 83 G CA 0.635 45.684 45.100 -0.085 0.000 0.987 83 G HN 0.661 nan 8.290 nan 0.000 0.554 84 K N 0.772 121.103 120.400 -0.114 0.000 2.437 84 K HA 0.363 4.684 4.320 0.001 0.000 0.198 84 K C 0.873 177.356 176.600 -0.195 0.000 1.024 84 K CA 0.194 56.402 56.287 -0.132 0.000 1.148 84 K CB 0.341 32.793 32.500 -0.079 0.000 0.860 84 K HN 0.541 nan 8.250 nan 0.000 0.515 85 R N 0.213 120.551 120.500 -0.270 0.000 2.854 85 R HA 0.370 4.711 4.340 0.001 0.000 0.271 85 R C -1.307 174.647 176.300 -0.577 0.000 0.994 85 R CA -0.888 54.972 56.100 -0.400 0.000 0.945 85 R CB 1.082 31.067 30.300 -0.525 0.000 1.194 85 R HN -0.029 nan 8.270 nan 0.000 0.476 86 Y N 0.476 120.457 120.300 -0.533 0.000 2.387 86 Y HA 0.487 5.037 4.550 0.001 0.000 0.330 86 Y C -0.372 174.947 175.900 -0.969 0.000 1.133 86 Y CA -0.236 57.573 58.100 -0.484 0.000 1.152 86 Y CB 1.191 39.553 38.460 -0.163 0.000 1.215 86 Y HN 0.348 nan 8.280 nan 0.000 0.466 87 F N 1.485 121.017 119.950 -0.697 0.000 2.599 87 F HA 0.602 5.129 4.527 0.001 0.000 0.311 87 F C -1.067 174.197 175.800 -0.893 0.000 1.076 87 F CA -1.383 56.024 58.000 -0.988 0.000 0.937 87 F CB 1.923 40.020 39.000 -1.504 0.000 1.282 87 F HN 0.403 nan 8.300 nan 0.000 0.460 88 Y N -0.886 119.109 120.300 -0.508 0.000 2.604 88 Y HA 0.690 5.240 4.550 0.001 0.000 0.331 88 Y C -2.153 173.699 175.900 -0.080 0.000 1.158 88 Y CA -2.251 55.697 58.100 -0.254 0.000 1.056 88 Y CB 0.599 38.798 38.460 -0.436 0.000 1.330 88 Y HN 0.389 nan 8.280 nan 0.000 0.457 89 F N 2.823 122.996 119.950 0.372 0.000 2.379 89 F HA 0.605 5.132 4.527 0.001 0.000 0.332 89 F C -0.539 175.540 175.800 0.465 0.000 1.096 89 F CA -0.373 57.822 58.000 0.325 0.000 1.105 89 F CB 1.382 40.544 39.000 0.270 0.000 1.189 89 F HN 0.601 nan 8.300 nan 0.000 0.515 90 Y N 3.107 123.637 120.300 0.384 0.000 2.436 90 Y HA 0.347 4.897 4.550 0.001 0.000 0.327 90 Y C -1.813 174.127 175.900 0.067 0.000 1.138 90 Y CA -1.683 56.483 58.100 0.109 0.000 1.042 90 Y CB 1.286 39.738 38.460 -0.013 0.000 1.302 90 Y HN 0.596 nan 8.280 nan 0.000 0.439 91 N N 3.162 121.598 118.700 -0.439 0.000 2.399 91 N HA 0.177 4.918 4.740 0.001 0.000 0.280 91 N C 0.579 175.559 175.510 -0.883 0.000 1.008 91 N CA 0.362 53.092 53.050 -0.532 0.000 0.894 91 N CB 2.037 40.342 38.487 -0.303 0.000 1.273 91 N HN 0.864 nan 8.380 nan 0.000 0.486 92 T N 0.363 114.376 114.554 -0.902 0.000 2.897 92 T HA 0.081 4.432 4.350 0.001 0.000 0.271 92 T C 1.171 175.677 174.700 -0.324 0.000 1.084 92 T CA 1.517 63.239 62.100 -0.631 0.000 1.123 92 T CB 0.086 68.748 68.868 -0.343 0.000 0.865 92 T HN 0.658 nan 8.240 nan 0.000 0.496 93 G N 0.760 109.349 108.800 -0.351 0.000 4.373 93 G HA2 0.038 3.998 3.960 0.001 0.000 0.195 93 G HA3 0.038 3.998 3.960 0.001 0.000 0.195 93 G C 0.553 175.254 174.900 -0.332 0.000 1.377 93 G CA -0.063 44.839 45.100 -0.330 0.000 0.858 93 G HN 0.429 nan 8.290 nan 0.000 0.307 94 L N 1.739 122.841 121.223 -0.201 0.000 3.069 94 L HA 0.384 4.725 4.340 0.001 0.000 0.271 94 L C 0.698 177.513 176.870 -0.091 0.000 1.201 94 L CA -0.145 54.621 54.840 -0.123 0.000 1.015 94 L CB 0.817 42.847 42.059 -0.048 0.000 1.371 94 L HN 0.228 nan 8.230 nan 0.000 0.574 95 Q N 0.400 120.122 119.800 -0.130 0.000 2.395 95 Q HA 0.019 4.360 4.340 0.001 0.000 0.271 95 Q C 0.584 176.548 176.000 -0.059 0.000 1.026 95 Q CA -0.214 55.533 55.803 -0.093 0.000 0.900 95 Q CB 0.859 29.524 28.738 -0.122 0.000 1.266 95 Q HN 0.172 nan 8.270 nan 0.000 0.430 96 N N 0.810 119.493 118.700 -0.028 0.000 2.166 96 N HA -0.116 4.624 4.740 0.001 0.000 0.186 96 N C -0.191 175.319 175.510 0.000 0.000 1.019 96 N CA 1.297 54.346 53.050 -0.002 0.000 0.856 96 N CB 0.336 38.826 38.487 0.005 0.000 0.993 96 N HN 0.479 nan 8.380 nan 0.000 0.426 97 Q N 0.298 120.091 119.800 -0.012 0.000 2.372 97 Q HA 0.246 4.586 4.340 0.001 0.000 0.273 97 Q C -0.393 175.604 176.000 -0.004 0.000 1.078 97 Q CA -0.574 55.230 55.803 0.002 0.000 0.806 97 Q CB 2.748 31.496 28.738 0.016 0.000 1.332 97 Q HN 0.339 nan 8.270 nan 0.000 0.435 98 R N -0.424 120.089 120.500 0.022 0.000 2.694 98 R HA 0.510 4.850 4.340 0.001 0.000 0.268 98 R C -0.421 175.970 176.300 0.151 0.000 1.061 98 R CA -0.423 55.718 56.100 0.068 0.000 1.133 98 R CB 0.224 30.595 30.300 0.118 0.000 1.020 98 R HN 0.194 nan 8.270 nan 0.000 0.475 99 V N 2.982 122.988 119.914 0.153 0.000 2.547 99 V HA 0.227 4.347 4.120 0.001 0.000 0.299 99 V C -0.323 175.782 176.094 0.020 0.000 1.040 99 V CA -1.109 61.208 62.300 0.028 0.000 0.913 99 V CB 1.484 33.208 31.823 -0.165 0.000 0.992 99 V HN 0.593 nan 8.190 nan 0.000 0.449 100 L N 5.324 126.422 121.223 -0.207 0.000 2.265 100 L HA 0.523 4.863 4.340 0.001 0.000 0.288 100 L C -0.956 175.622 176.870 -0.487 0.000 1.058 100 L CA 0.237 54.798 54.840 -0.465 0.000 0.809 100 L CB 0.270 42.047 42.059 -0.471 0.000 1.179 100 L HN 0.524 nan 8.230 nan 0.000 0.429 101 Y N 3.532 123.502 120.300 -0.550 0.000 2.496 101 Y HA 0.715 5.266 4.550 0.001 0.000 0.331 101 Y C -0.140 175.376 175.900 -0.639 0.000 1.140 101 Y CA -0.540 57.207 58.100 -0.588 0.000 1.166 101 Y CB 2.050 39.924 38.460 -0.975 0.000 1.249 101 Y HN 0.407 nan 8.280 nan 0.000 0.479 102 V N 2.847 122.537 119.914 -0.374 0.000 2.925 102 V HA 0.618 4.738 4.120 0.001 0.000 0.311 102 V C -1.710 174.143 176.094 -0.401 0.000 1.104 102 V CA -0.432 61.446 62.300 -0.704 0.000 0.954 102 V CB 1.971 33.298 31.823 -0.827 0.000 1.022 102 V HN 0.902 nan 8.190 nan 0.000 0.427 103 Q N 3.034 122.581 119.800 -0.421 0.000 2.377 103 Q HA 0.506 4.847 4.340 0.001 0.000 0.279 103 Q C -1.177 174.722 176.000 -0.169 0.000 1.049 103 Q CA -0.869 54.826 55.803 -0.180 0.000 0.825 103 Q CB 2.181 30.903 28.738 -0.028 0.000 1.401 103 Q HN 0.579 nan 8.270 nan 0.000 0.404 104 D N 1.022 121.363 120.400 -0.098 0.000 2.355 104 D HA 0.032 4.673 4.640 0.001 0.000 0.218 104 D C 0.061 176.381 176.300 0.034 0.000 1.004 104 D CA 1.136 55.097 54.000 -0.066 0.000 0.880 104 D CB 0.512 41.275 40.800 -0.062 0.000 0.911 104 D HN 0.617 nan 8.370 nan 0.000 0.528 105 S N -1.572 114.175 115.700 0.078 0.000 2.578 105 S HA 0.230 4.700 4.470 0.001 0.000 0.272 105 S C 0.505 175.074 174.600 -0.052 0.000 1.145 105 S CA -0.800 57.464 58.200 0.106 0.000 0.835 105 S CB 0.622 63.844 63.200 0.036 0.000 1.104 105 S HN -0.075 nan 8.310 nan 0.000 0.458 106 L N 0.754 121.832 121.223 -0.241 0.000 2.191 106 L HA -0.047 4.294 4.340 0.001 0.000 0.212 106 L C 2.038 178.792 176.870 -0.194 0.000 1.103 106 L CA 1.538 56.162 54.840 -0.360 0.000 0.769 106 L CB -0.509 41.293 42.059 -0.429 0.000 0.908 106 L HN 0.800 nan 8.230 nan 0.000 0.438 107 E N -0.389 119.733 120.200 -0.129 0.000 2.474 107 E HA 0.109 4.459 4.350 0.001 0.000 0.195 107 E C 1.046 177.599 176.600 -0.078 0.000 1.039 107 E CA -0.119 56.216 56.400 -0.108 0.000 0.881 107 E CB 0.290 29.938 29.700 -0.086 0.000 0.970 107 E HN 0.375 nan 8.360 nan 0.000 0.486 108 G N 1.439 110.203 108.800 -0.061 0.000 2.572 108 G HA2 0.041 4.002 3.960 0.001 0.000 0.261 108 G HA3 0.041 4.002 3.960 0.001 0.000 0.261 108 G C -0.559 174.321 174.900 -0.034 0.000 1.197 108 G CA -0.514 44.561 45.100 -0.041 0.000 0.870 108 G HN 0.059 nan 8.290 nan 0.000 0.548 109 E N 0.163 120.348 120.200 -0.025 0.000 2.324 109 E HA 0.413 4.763 4.350 0.001 0.000 0.271 109 E C 0.425 177.029 176.600 0.006 0.000 1.028 109 E CA -0.506 55.887 56.400 -0.011 0.000 0.890 109 E CB 0.604 30.298 29.700 -0.009 0.000 1.004 109 E HN 0.519 nan 8.360 nan 0.000 0.431 110 A N 5.106 127.950 122.820 0.039 0.000 2.302 110 A HA 0.502 4.822 4.320 0.001 0.000 0.285 110 A C -0.287 177.366 177.584 0.116 0.000 1.105 110 A CA -0.539 51.546 52.037 0.079 0.000 0.816 110 A CB 0.573 19.670 19.000 0.162 0.000 1.067 110 A HN 0.808 nan 8.150 nan 0.000 0.489 111 R N 0.497 121.063 120.500 0.109 0.000 2.771 111 R HA 0.646 4.986 4.340 0.001 0.000 0.274 111 R C -1.621 174.693 176.300 0.025 0.000 0.987 111 R CA -0.841 55.316 56.100 0.095 0.000 0.908 111 R CB 1.050 31.360 30.300 0.017 0.000 1.213 111 R HN 0.300 nan 8.270 nan 0.000 0.468 112 V N 2.932 122.782 119.914 -0.108 0.000 2.540 112 V HA -0.017 4.104 4.120 0.001 0.000 0.297 112 V C 0.347 176.310 176.094 -0.220 0.000 1.024 112 V CA 0.460 62.518 62.300 -0.403 0.000 1.105 112 V CB 0.227 31.848 31.823 -0.338 0.000 0.938 112 V HN 0.741 nan 8.190 nan 0.000 0.482 113 F N 5.512 125.207 119.950 -0.426 0.000 2.490 113 F HA 0.473 5.000 4.527 0.001 0.000 0.280 113 F C 0.291 175.896 175.800 -0.325 0.000 1.030 113 F CA 0.293 58.105 58.000 -0.314 0.000 1.367 113 F CB 0.598 39.434 39.000 -0.272 0.000 1.131 113 F HN 0.350 nan 8.300 nan 0.000 0.632 114 L N 1.349 122.318 121.223 -0.424 0.000 2.482 114 L HA 0.371 4.711 4.340 0.001 0.000 0.269 114 L C -1.825 174.873 176.870 -0.287 0.000 0.967 114 L CA -0.372 54.202 54.840 -0.443 0.000 0.851 114 L CB 1.187 42.970 42.059 -0.459 0.000 1.242 114 L HN -0.009 nan 8.230 nan 0.000 0.404 115 D N 6.213 126.465 120.400 -0.245 0.000 2.472 115 D HA 0.466 5.107 4.640 0.001 0.000 0.234 115 D C -2.042 174.196 176.300 -0.103 0.000 1.088 115 D CA -2.047 51.850 54.000 -0.171 0.000 0.882 115 D CB 2.079 42.775 40.800 -0.174 0.000 1.037 115 D HN 0.304 nan 8.370 nan 0.000 0.520 116 P HA -0.013 nan 4.420 nan 0.000 0.226 116 P C 1.034 178.325 177.300 -0.015 0.000 1.153 116 P CA 0.421 63.512 63.100 -0.014 0.000 0.777 116 P CB 0.344 32.060 31.700 0.027 0.000 0.794 117 N N 0.337 119.019 118.700 -0.029 0.000 2.289 117 N HA -0.112 4.629 4.740 0.001 0.000 0.184 117 N C 1.620 177.115 175.510 -0.025 0.000 1.016 117 N CA 1.186 54.221 53.050 -0.026 0.000 0.872 117 N CB -0.431 38.034 38.487 -0.036 0.000 0.973 117 N HN 0.344 nan 8.380 nan 0.000 0.433 118 I N -1.917 118.633 120.570 -0.034 0.000 3.564 118 I HA 0.028 4.198 4.170 0.001 0.000 0.294 118 I C 1.326 177.433 176.117 -0.017 0.000 1.289 118 I CA 0.494 61.777 61.300 -0.029 0.000 1.325 118 I CB -0.270 37.706 38.000 -0.040 0.000 1.039 118 I HN -0.068 nan 8.210 nan 0.000 0.474 119 L N 1.293 122.510 121.223 -0.009 0.000 2.509 119 L HA 0.186 4.527 4.340 0.001 0.000 0.222 119 L C 0.576 177.448 176.870 0.003 0.000 1.123 119 L CA 0.212 55.054 54.840 0.003 0.000 0.856 119 L CB -0.297 41.774 42.059 0.020 0.000 0.985 119 L HN 0.552 nan 8.230 nan 0.000 0.456 120 S N -3.672 112.028 115.700 -0.001 0.000 2.542 120 S HA 0.207 4.678 4.470 0.001 0.000 0.276 120 S C -0.234 174.364 174.600 -0.002 0.000 1.148 120 S CA -0.852 57.347 58.200 -0.001 0.000 0.886 120 S CB 1.558 64.758 63.200 0.000 0.000 1.109 120 S HN -0.102 nan 8.310 nan 0.000 0.458 121 D N 1.532 121.931 120.400 -0.001 0.000 2.123 121 D HA -0.071 4.570 4.640 0.001 0.000 0.196 121 D C 1.231 177.532 176.300 0.001 0.000 0.992 121 D CA 2.279 56.278 54.000 -0.001 0.000 0.833 121 D CB -0.072 40.729 40.800 0.001 0.000 0.954 121 D HN 0.837 nan 8.370 nan 0.000 0.455 122 D N -1.813 118.589 120.400 0.003 0.000 2.349 122 D HA 0.172 4.812 4.640 0.001 0.000 0.214 122 D C 1.308 177.613 176.300 0.008 0.000 1.063 122 D CA 0.579 54.583 54.000 0.007 0.000 0.847 122 D CB -0.180 40.625 40.800 0.008 0.000 0.933 122 D HN 0.154 nan 8.370 nan 0.000 0.513 123 G N 0.735 109.538 108.800 0.005 0.000 2.176 123 G HA2 -0.320 3.640 3.960 0.001 0.000 0.252 123 G HA3 -0.320 3.640 3.960 0.001 0.000 0.252 123 G C 0.914 175.820 174.900 0.010 0.000 1.024 123 G CA 0.874 45.978 45.100 0.008 0.000 0.755 123 G HN 0.607 nan 8.290 nan 0.000 0.507 124 T N -2.874 111.681 114.554 0.003 0.000 3.169 124 T HA 0.485 4.836 4.350 0.001 0.000 0.250 124 T C 0.637 175.336 174.700 -0.002 0.000 1.111 124 T CA 0.448 62.545 62.100 -0.005 0.000 1.010 124 T CB 0.898 69.749 68.868 -0.028 0.000 0.984 124 T HN 0.591 nan 8.240 nan 0.000 0.537 125 V N 1.889 121.809 119.914 0.011 0.000 2.370 125 V HA 0.791 4.912 4.120 0.001 0.000 0.283 125 V C 0.123 176.241 176.094 0.041 0.000 1.023 125 V CA -0.845 61.470 62.300 0.025 0.000 0.857 125 V CB 0.681 32.520 31.823 0.027 0.000 0.985 125 V HN 0.669 nan 8.190 nan 0.000 0.443 126 A N 4.612 127.464 122.820 0.054 0.000 2.454 126 A HA 0.867 5.187 4.320 0.001 0.000 0.302 126 A C -0.994 176.649 177.584 0.097 0.000 1.079 126 A CA -0.775 51.302 52.037 0.067 0.000 0.731 126 A CB 1.552 20.585 19.000 0.054 0.000 1.299 126 A HN 0.814 nan 8.150 nan 0.000 0.413 127 L N 1.007 122.302 121.223 0.120 0.000 2.410 127 L HA 0.504 4.844 4.340 0.001 0.000 0.273 127 L C 0.523 177.478 176.870 0.142 0.000 1.152 127 L CA 0.706 55.651 54.840 0.176 0.000 0.855 127 L CB 0.277 42.471 42.059 0.225 0.000 1.129 127 L HN 0.680 nan 8.230 nan 0.000 0.463 128 R N 4.438 125.025 120.500 0.145 0.000 2.607 128 R HA 0.545 4.886 4.340 0.001 0.000 0.278 128 R C -0.635 175.728 176.300 0.104 0.000 1.637 128 R CA 0.166 56.329 56.100 0.105 0.000 1.325 128 R CB 0.444 30.787 30.300 0.072 0.000 1.211 128 R HN 1.061 nan 8.270 nan 0.000 0.565 129 G N 2.864 111.742 108.800 0.130 0.000 2.721 129 G HA2 -0.206 3.754 3.960 0.001 0.000 0.686 129 G HA3 -0.206 3.754 3.960 0.001 0.000 0.686 129 G C -1.451 173.544 174.900 0.158 0.000 1.236 129 G CA -0.230 44.908 45.100 0.064 0.000 0.786 129 G HN 0.741 nan 8.290 nan 0.000 0.616 130 Y N -2.425 117.905 120.300 0.050 0.000 2.677 130 Y HA 0.892 5.443 4.550 0.001 0.000 0.334 130 Y C -0.320 175.607 175.900 0.046 0.000 1.196 130 Y CA -1.038 57.035 58.100 -0.044 0.000 1.059 130 Y CB 0.859 39.345 38.460 0.044 0.000 1.315 130 Y HN 2.295 nan 8.280 nan 0.000 0.455 131 A N 1.872 124.797 122.820 0.176 0.000 2.491 131 A HA 0.698 5.019 4.320 0.001 0.000 0.293 131 A C -2.192 175.677 177.584 0.475 0.000 1.047 131 A CA -0.601 51.662 52.037 0.376 0.000 0.735 131 A CB 0.549 19.785 19.000 0.393 0.000 1.281 131 A HN 0.605 nan 8.150 nan 0.000 0.398 132 F N 1.899 122.109 119.950 0.433 0.000 2.379 132 F HA 0.501 5.028 4.527 0.001 0.000 0.332 132 F C 1.534 177.213 175.800 -0.202 0.000 1.096 132 F CA 0.442 58.563 58.000 0.202 0.000 1.105 132 F CB 1.770 40.856 39.000 0.144 0.000 1.189 132 F HN 0.684 nan 8.300 nan 0.000 0.515 133 S N 0.786 116.143 115.700 -0.571 0.000 2.580 133 S HA 0.012 4.483 4.470 0.001 0.000 0.266 133 S C 1.148 175.639 174.600 -0.181 0.000 1.354 133 S CA -0.466 57.235 58.200 -0.831 0.000 1.008 133 S CB 0.960 63.607 63.200 -0.922 0.000 0.898 133 S HN 0.729 nan 8.310 nan 0.000 0.555 134 E N 1.337 121.464 120.200 -0.122 0.000 2.130 134 E HA -0.230 4.121 4.350 0.001 0.000 0.196 134 E C 1.235 177.776 176.600 -0.097 0.000 0.998 134 E CA 2.094 58.394 56.400 -0.167 0.000 0.806 134 E CB -0.473 28.945 29.700 -0.470 0.000 0.738 134 E HN 0.880 nan 8.360 nan 0.000 0.459 135 D N -1.451 118.913 120.400 -0.060 0.000 2.349 135 D HA 0.067 4.708 4.640 0.001 0.000 0.224 135 D C 1.330 177.624 176.300 -0.010 0.000 1.029 135 D CA 0.823 54.811 54.000 -0.021 0.000 0.879 135 D CB -0.315 40.493 40.800 0.013 0.000 0.906 135 D HN 0.319 nan 8.370 nan 0.000 0.528 136 G N 0.442 109.243 108.800 0.002 0.000 2.155 136 G HA2 -0.323 3.638 3.960 0.001 0.000 0.257 136 G HA3 -0.323 3.638 3.960 0.001 0.000 0.257 136 G C 0.879 175.837 174.900 0.096 0.000 0.983 136 G CA 0.436 45.567 45.100 0.052 0.000 0.676 136 G HN 0.387 nan 8.290 nan 0.000 0.528 137 E N -1.228 118.999 120.200 0.045 0.000 2.447 137 E HA 0.203 4.553 4.350 0.001 0.000 0.195 137 E C 0.230 176.670 176.600 -0.268 0.000 1.028 137 E CA 0.477 56.843 56.400 -0.057 0.000 0.876 137 E CB 0.306 29.985 29.700 -0.036 0.000 0.885 137 E HN 0.649 nan 8.360 nan 0.000 0.500 138 Y N -0.684 119.614 120.300 -0.003 0.000 2.536 138 Y HA 0.452 5.003 4.550 0.001 0.000 0.347 138 Y C -0.814 175.143 175.900 0.095 0.000 1.000 138 Y CA -1.288 56.828 58.100 0.026 0.000 1.051 138 Y CB 1.771 40.129 38.460 -0.170 0.000 1.259 138 Y HN -0.200 nan 8.280 nan 0.000 0.468 139 F N 1.747 121.850 119.950 0.255 0.000 2.574 139 F HA 0.834 5.362 4.527 0.001 0.000 0.313 139 F C -1.331 174.649 175.800 0.300 0.000 1.130 139 F CA -0.865 57.165 58.000 0.049 0.000 0.936 139 F CB 1.103 39.987 39.000 -0.192 0.000 1.219 139 F HN 0.520 nan 8.300 nan 0.000 0.445 140 A N 5.306 127.940 122.820 -0.311 0.000 2.337 140 A HA 0.801 5.121 4.320 0.001 0.000 0.329 140 A C -2.059 175.008 177.584 -0.862 0.000 1.146 140 A CA -0.485 51.107 52.037 -0.741 0.000 0.800 140 A CB 0.734 19.324 19.000 -0.684 0.000 1.220 140 A HN 1.016 nan 8.150 nan 0.000 0.472 141 Y N -0.545 119.250 120.300 -0.841 0.000 2.513 141 Y HA 0.725 5.275 4.550 0.001 0.000 0.340 141 Y C 0.035 175.767 175.900 -0.281 0.000 1.055 141 Y CA -1.086 56.706 58.100 -0.514 0.000 1.020 141 Y CB 0.774 38.972 38.460 -0.437 0.000 1.301 141 Y HN 0.845 nan 8.280 nan 0.000 0.453 142 G N 3.218 111.971 108.800 -0.080 0.000 2.389 142 G HA2 0.621 4.582 3.960 0.001 0.000 0.317 142 G HA3 0.621 4.582 3.960 0.001 0.000 0.317 142 G C -1.507 173.418 174.900 0.041 0.000 1.137 142 G CA -1.020 44.025 45.100 -0.090 0.000 0.870 142 G HN 0.747 nan 8.290 nan 0.000 0.496 143 L N 1.193 122.415 121.223 -0.001 0.000 2.362 143 L HA 0.499 4.839 4.340 0.001 0.000 0.275 143 L C -0.110 176.791 176.870 0.052 0.000 0.998 143 L CA -0.656 54.222 54.840 0.063 0.000 0.820 143 L CB 2.342 44.437 42.059 0.060 0.000 1.270 143 L HN 0.421 nan 8.230 nan 0.000 0.415 144 S N 1.592 117.332 115.700 0.067 0.000 2.482 144 S HA 0.791 5.262 4.470 0.001 0.000 0.303 144 S C -0.402 174.231 174.600 0.055 0.000 1.091 144 S CA -0.589 57.654 58.200 0.071 0.000 1.057 144 S CB 2.025 65.268 63.200 0.072 0.000 1.031 144 S HN 0.659 nan 8.310 nan 0.000 0.485 145 A N 1.452 124.303 122.820 0.051 0.000 2.317 145 A HA 0.743 5.064 4.320 0.001 0.000 0.327 145 A C 0.612 178.172 177.584 -0.042 0.000 1.178 145 A CA -0.589 51.452 52.037 0.007 0.000 0.817 145 A CB 0.300 19.301 19.000 0.002 0.000 1.189 145 A HN 1.188 nan 8.150 nan 0.000 0.489 146 S N 0.623 116.260 115.700 -0.104 0.000 3.521 146 S HA -0.171 4.299 4.470 0.001 0.000 0.328 146 S C 1.405 175.950 174.600 -0.092 0.000 1.165 146 S CA 1.844 59.910 58.200 -0.223 0.000 0.941 146 S CB -1.578 61.205 63.200 -0.696 0.000 0.951 146 S HN 2.813 nan 8.310 nan 0.000 0.539 147 G N -0.054 108.750 108.800 0.007 0.000 2.179 147 G HA2 -0.323 3.637 3.960 0.001 0.000 0.260 147 G HA3 -0.323 3.637 3.960 0.001 0.000 0.260 147 G C 0.176 175.144 174.900 0.114 0.000 0.977 147 G CA 0.839 45.981 45.100 0.070 0.000 0.641 147 G HN 1.537 nan 8.290 nan 0.000 0.533 148 S N -0.225 115.553 115.700 0.130 0.000 2.579 148 S HA 0.361 4.831 4.470 0.001 0.000 0.275 148 S C 1.310 175.954 174.600 0.073 0.000 1.345 148 S CA 0.494 58.790 58.200 0.160 0.000 1.031 148 S CB 0.643 64.008 63.200 0.274 0.000 0.892 148 S HN 0.190 nan 8.310 nan 0.000 0.529 149 D N 2.057 122.428 120.400 -0.048 0.000 2.312 149 D HA 0.016 4.657 4.640 0.001 0.000 0.211 149 D C -0.054 176.088 176.300 -0.264 0.000 0.964 149 D CA 0.318 54.195 54.000 -0.205 0.000 0.877 149 D CB -0.002 40.553 40.800 -0.408 0.000 0.924 149 D HN 0.600 nan 8.370 nan 0.000 0.515 150 W N 0.764 122.004 121.300 -0.101 0.000 2.193 150 W HA 0.153 4.814 4.660 0.001 0.000 0.338 150 W C 0.297 176.784 176.519 -0.054 0.000 1.310 150 W CA -0.302 56.992 57.345 -0.085 0.000 1.243 150 W CB 0.662 30.099 29.460 -0.039 0.000 1.165 150 W HN -0.374 nan 8.180 nan 0.000 0.566 151 V N 2.682 122.752 119.914 0.260 0.000 2.876 151 V HA 0.466 4.586 4.120 0.001 0.000 0.312 151 V C -0.245 175.898 176.094 0.082 0.000 1.085 151 V CA -0.928 61.444 62.300 0.120 0.000 0.945 151 V CB 2.345 34.204 31.823 0.059 0.000 1.017 151 V HN 0.414 nan 8.190 nan 0.000 0.428 152 T N 5.085 119.636 114.554 -0.006 0.000 2.786 152 T HA 0.607 4.957 4.350 0.001 0.000 0.283 152 T C -0.334 174.252 174.700 -0.189 0.000 0.992 152 T CA -0.126 61.926 62.100 -0.079 0.000 0.954 152 T CB 0.761 69.582 68.868 -0.078 0.000 0.934 152 T HN 0.374 nan 8.240 nan 0.000 0.440 153 I N 3.859 124.272 120.570 -0.261 0.000 2.342 153 I HA 0.389 4.560 4.170 0.001 0.000 0.291 153 I C 0.494 176.305 176.117 -0.509 0.000 1.010 153 I CA -0.511 60.523 61.300 -0.445 0.000 1.308 153 I CB 0.927 38.641 38.000 -0.477 0.000 1.400 153 I HN 0.348 nan 8.210 nan 0.000 0.488 154 K N 5.221 125.115 120.400 -0.843 0.000 2.306 154 K HA 0.718 5.039 4.320 0.001 0.000 0.236 154 K C -1.373 174.766 176.600 -0.768 0.000 1.013 154 K CA -0.706 55.180 56.287 -0.668 0.000 0.857 154 K CB 2.152 34.239 32.500 -0.687 0.000 1.214 154 K HN 0.208 nan 8.250 nan 0.000 0.449 155 F N 0.585 120.458 119.950 -0.129 0.000 2.588 155 F HA 0.564 5.092 4.527 0.001 0.000 0.314 155 F C -0.285 175.713 175.800 0.330 0.000 1.069 155 F CA -0.792 57.302 58.000 0.157 0.000 0.931 155 F CB 1.852 40.955 39.000 0.171 0.000 1.260 155 F HN 0.169 nan 8.300 nan 0.000 0.465 156 M N 1.480 121.451 119.600 0.619 0.000 2.470 156 M HA 0.332 4.812 4.480 0.001 0.000 0.285 156 M C -1.106 175.441 176.300 0.412 0.000 1.213 156 M CA -0.809 54.760 55.300 0.449 0.000 0.901 156 M CB 3.022 35.827 32.600 0.341 0.000 1.718 156 M HN 0.475 nan 8.290 nan 0.000 0.469 157 K N 1.400 121.927 120.400 0.211 0.000 2.227 157 K HA 0.394 4.714 4.320 0.001 0.000 0.280 157 K C 0.275 176.885 176.600 0.016 0.000 1.041 157 K CA -0.344 55.869 56.287 -0.124 0.000 0.905 157 K CB 1.326 33.745 32.500 -0.135 0.000 1.068 157 K HN 0.612 nan 8.250 nan 0.000 0.470 158 V N 2.454 122.373 119.914 0.007 0.000 2.287 158 V HA -0.214 3.907 4.120 0.001 0.000 0.248 158 V C 0.742 176.932 176.094 0.161 0.000 1.053 158 V CA 1.638 64.073 62.300 0.225 0.000 1.027 158 V CB -0.543 31.368 31.823 0.146 0.000 0.646 158 V HN 0.886 nan 8.190 nan 0.000 0.447 159 D N -0.049 120.359 120.400 0.013 0.000 2.363 159 D HA 0.353 4.994 4.640 0.001 0.000 0.263 159 D C 1.096 177.412 176.300 0.028 0.000 1.258 159 D CA 1.153 55.158 54.000 0.008 0.000 0.907 159 D CB 0.256 41.039 40.800 -0.027 0.000 1.107 159 D HN 0.436 nan 8.370 nan 0.000 0.495 160 G N 3.183 112.009 108.800 0.044 0.000 2.176 160 G HA2 -0.153 3.808 3.960 0.001 0.000 0.253 160 G HA3 -0.153 3.808 3.960 0.001 0.000 0.253 160 G C 0.784 175.704 174.900 0.033 0.000 0.979 160 G CA 0.437 45.555 45.100 0.031 0.000 0.641 160 G HN 1.715 nan 8.290 nan 0.000 0.530 161 A N -1.168 121.703 122.820 0.084 0.000 2.560 161 A HA -0.090 4.230 4.320 0.001 0.000 0.299 161 A C 0.757 178.309 177.584 -0.054 0.000 1.484 161 A CA 2.104 54.132 52.037 -0.016 0.000 0.749 161 A CB -1.167 17.737 19.000 -0.160 0.000 1.072 161 A HN 0.944 nan 8.150 nan 0.000 0.426 162 K N 1.381 121.792 120.400 0.019 0.000 2.297 162 K HA 0.295 4.616 4.320 0.001 0.000 0.286 162 K C 0.359 177.008 176.600 0.081 0.000 1.053 162 K CA -0.257 56.053 56.287 0.039 0.000 0.940 162 K CB 0.691 33.225 32.500 0.058 0.000 1.019 162 K HN 0.566 nan 8.250 nan 0.000 0.475 163 E N 3.074 123.317 120.200 0.071 0.000 2.360 163 E HA 0.144 4.494 4.350 0.001 0.000 0.269 163 E C 0.215 176.900 176.600 0.142 0.000 1.022 163 E CA -0.133 56.337 56.400 0.118 0.000 0.887 163 E CB 0.848 30.599 29.700 0.083 0.000 0.990 163 E HN 0.341 nan 8.360 nan 0.000 0.426 164 L N 4.089 125.430 121.223 0.198 0.000 2.334 164 L HA 0.313 4.654 4.340 0.001 0.000 0.270 164 L C -1.055 175.891 176.870 0.127 0.000 1.018 164 L CA -1.772 53.176 54.840 0.180 0.000 0.811 164 L CB 1.212 43.425 42.059 0.257 0.000 1.271 164 L HN 0.339 nan 8.230 nan 0.000 0.443 165 P HA -0.022 nan 4.420 nan 0.000 0.231 165 P C -0.399 176.909 177.300 0.015 0.000 1.168 165 P CA 0.227 63.349 63.100 0.037 0.000 0.779 165 P CB -0.019 31.692 31.700 0.018 0.000 0.844 166 D N 0.499 120.898 120.400 -0.001 0.000 2.487 166 D HA 0.182 4.822 4.640 0.001 0.000 0.243 166 D C -0.124 176.173 176.300 -0.005 0.000 1.154 166 D CA 0.620 54.572 54.000 -0.081 0.000 0.876 166 D CB 0.496 41.079 40.800 -0.362 0.000 1.161 166 D HN -0.102 nan 8.370 nan 0.000 0.478 167 V N 3.433 123.276 119.914 -0.120 0.000 2.668 167 V HA 0.315 4.436 4.120 0.001 0.000 0.304 167 V C -0.473 175.481 176.094 -0.234 0.000 1.071 167 V CA -0.823 61.401 62.300 -0.127 0.000 0.894 167 V CB 1.644 33.409 31.823 -0.097 0.000 1.008 167 V HN 0.384 nan 8.190 nan 0.000 0.425 168 L N 4.525 125.587 121.223 -0.269 0.000 2.325 168 L HA 0.678 5.019 4.340 0.001 0.000 0.281 168 L C -0.134 176.623 176.870 -0.188 0.000 1.004 168 L CA -0.503 54.134 54.840 -0.339 0.000 0.823 168 L CB 1.780 43.461 42.059 -0.629 0.000 1.236 168 L HN 0.541 nan 8.230 nan 0.000 0.415 169 E N 3.091 123.222 120.200 -0.115 0.000 2.243 169 E HA 0.477 4.828 4.350 0.001 0.000 0.260 169 E C 0.006 176.631 176.600 0.042 0.000 0.985 169 E CA -0.750 55.619 56.400 -0.051 0.000 0.858 169 E CB 1.290 30.941 29.700 -0.082 0.000 1.210 169 E HN 0.348 nan 8.360 nan 0.000 0.411 170 R N -1.562 118.971 120.500 0.057 0.000 3.878 170 R HA -0.116 4.224 4.340 0.001 0.000 0.330 170 R C -0.448 176.145 176.300 0.488 0.000 1.186 170 R CA 0.251 56.472 56.100 0.201 0.000 0.885 170 R CB -2.830 27.568 30.300 0.164 0.000 1.377 170 R HN 0.263 nan 8.270 nan 0.000 0.523 171 V N 1.258 121.414 119.914 0.404 0.000 2.498 171 V HA 0.476 4.597 4.120 0.001 0.000 0.279 171 V C 0.658 176.955 176.094 0.339 0.000 1.048 171 V CA 0.008 62.529 62.300 0.367 0.000 0.967 171 V CB 1.886 33.844 31.823 0.224 0.000 0.988 171 V HN 0.162 nan 8.190 nan 0.000 0.473 172 K N 3.773 124.298 120.400 0.208 0.000 2.569 172 K HA 0.404 4.725 4.320 0.001 0.000 0.259 172 K C -1.135 175.434 176.600 -0.052 0.000 0.932 172 K CA -0.785 55.389 56.287 -0.188 0.000 0.833 172 K CB 1.079 33.204 32.500 -0.625 0.000 1.340 172 K HN 0.323 nan 8.250 nan 0.000 0.429 173 F N -0.223 119.786 119.950 0.099 0.000 2.943 173 F HA -0.223 4.304 4.527 0.001 0.000 0.258 173 F C 0.125 175.981 175.800 0.095 0.000 0.995 173 F CA 0.845 58.897 58.000 0.087 0.000 0.896 173 F CB -1.936 37.128 39.000 0.107 0.000 0.821 173 F HN 0.322 nan 8.300 nan 0.000 0.828 174 S N -0.262 115.562 115.700 0.206 0.000 2.549 174 S HA 0.748 5.218 4.470 0.001 0.000 0.297 174 S C 0.313 175.006 174.600 0.155 0.000 1.115 174 S CA -0.289 58.019 58.200 0.180 0.000 1.059 174 S CB 1.049 64.366 63.200 0.196 0.000 1.046 174 S HN 0.625 nan 8.310 nan 0.000 0.506 175 C N 3.775 123.171 119.300 0.160 0.000 2.422 175 C HA 0.793 5.254 4.460 0.001 0.000 0.364 175 C C -0.152 174.951 174.990 0.187 0.000 1.251 175 C CA -0.861 58.250 59.018 0.155 0.000 2.441 175 C CB -0.503 27.331 27.740 0.156 0.000 2.393 175 C HN 0.822 nan 8.230 nan 0.000 0.606 176 M N 2.317 122.024 119.600 0.178 0.000 2.182 176 M HA 0.540 5.020 4.480 0.001 0.000 0.266 176 M C -0.696 175.751 176.300 0.246 0.000 0.989 176 M CA -0.024 55.380 55.300 0.174 0.000 1.003 176 M CB 1.907 34.554 32.600 0.078 0.000 1.812 176 M HN 1.030 nan 8.290 nan 0.000 0.472 177 A N 3.104 126.117 122.820 0.322 0.000 2.442 177 A HA 0.702 5.023 4.320 0.001 0.000 0.284 177 A C -2.044 175.858 177.584 0.530 0.000 1.058 177 A CA -0.465 51.844 52.037 0.452 0.000 0.738 177 A CB 0.774 20.046 19.000 0.454 0.000 1.242 177 A HN 0.863 nan 8.150 nan 0.000 0.421 178 W N 2.277 123.813 121.300 0.393 0.000 2.272 178 W HA 0.451 5.112 4.660 0.001 0.000 0.318 178 W C 1.102 177.892 176.519 0.451 0.000 1.255 178 W CA 0.481 58.047 57.345 0.369 0.000 1.200 178 W CB 1.226 30.867 29.460 0.302 0.000 1.170 178 W HN 0.745 nan 8.180 nan 0.000 0.549 179 T N -1.108 113.849 114.554 0.671 0.000 2.898 179 T HA 0.050 4.401 4.350 0.001 0.000 0.301 179 T C 0.792 175.840 174.700 0.581 0.000 1.049 179 T CA -0.269 62.175 62.100 0.573 0.000 1.095 179 T CB 0.659 69.777 68.868 0.418 0.000 0.976 179 T HN 0.574 nan 8.240 nan 0.000 0.539 180 H N 0.579 119.819 119.070 0.284 0.000 2.546 180 H HA -0.055 4.502 4.556 0.001 0.000 0.277 180 H C 1.424 176.856 175.328 0.175 0.000 1.004 180 H CA 0.818 56.997 56.048 0.217 0.000 1.231 180 H CB 0.236 30.104 29.762 0.176 0.000 1.382 180 H HN 0.769 nan 8.280 nan 0.000 0.580 181 D N -0.284 120.291 120.400 0.292 0.000 2.363 181 D HA -0.014 4.626 4.640 0.001 0.000 0.220 181 D C 1.735 178.146 176.300 0.185 0.000 0.994 181 D CA 0.745 54.864 54.000 0.197 0.000 0.890 181 D CB -0.324 40.569 40.800 0.156 0.000 0.906 181 D HN 0.356 nan 8.370 nan 0.000 0.530 182 G N 1.109 110.056 108.800 0.245 0.000 2.155 182 G HA2 -0.437 3.523 3.960 0.001 0.000 0.257 182 G HA3 -0.437 3.523 3.960 0.001 0.000 0.257 182 G C 0.927 175.962 174.900 0.224 0.000 0.983 182 G CA 0.721 45.954 45.100 0.223 0.000 0.676 182 G HN 0.551 nan 8.290 nan 0.000 0.528 183 K N -0.093 120.442 120.400 0.225 0.000 2.167 183 K HA 0.375 4.695 4.320 0.001 0.000 0.203 183 K C 1.423 178.036 176.600 0.021 0.000 1.052 183 K CA 1.555 57.916 56.287 0.124 0.000 0.956 183 K CB -0.054 32.534 32.500 0.148 0.000 0.735 183 K HN 0.892 nan 8.250 nan 0.000 0.451 184 G N -0.198 108.634 108.800 0.054 0.000 2.554 184 G HA2 0.394 4.355 3.960 0.001 0.000 0.306 184 G HA3 0.394 4.355 3.960 0.001 0.000 0.306 184 G C -1.935 172.666 174.900 -0.498 0.000 1.320 184 G CA -0.740 44.061 45.100 -0.498 0.000 0.800 184 G HN 0.088 nan 8.290 nan 0.000 0.481 185 M N 0.057 119.143 119.600 -0.855 0.000 2.378 185 M HA 0.652 5.133 4.480 0.001 0.000 0.289 185 M C -1.614 174.583 176.300 -0.171 0.000 1.136 185 M CA -0.692 54.303 55.300 -0.508 0.000 0.917 185 M CB 1.980 34.042 32.600 -0.896 0.000 1.669 185 M HN 0.364 nan 8.290 nan 0.000 0.461 186 F N 4.249 124.357 119.950 0.264 0.000 2.389 186 F HA 0.525 5.052 4.527 0.001 0.000 0.337 186 F C -0.182 175.820 175.800 0.336 0.000 1.112 186 F CA 0.380 58.595 58.000 0.358 0.000 1.192 186 F CB 0.652 39.851 39.000 0.332 0.000 1.185 186 F HN 0.516 nan 8.300 nan 0.000 0.552 187 Y N -0.567 119.944 120.300 0.352 0.000 2.713 187 Y HA 0.556 5.107 4.550 0.001 0.000 0.335 187 Y C -1.979 174.071 175.900 0.251 0.000 1.222 187 Y CA -2.078 56.156 58.100 0.224 0.000 1.061 187 Y CB 0.769 39.299 38.460 0.117 0.000 1.314 187 Y HN 0.533 nan 8.280 nan 0.000 0.453 188 N N 0.596 119.348 118.700 0.086 0.000 2.370 188 N HA 0.865 5.605 4.740 0.001 0.000 0.303 188 N C -1.466 174.107 175.510 0.106 0.000 1.103 188 N CA -0.578 52.472 53.050 0.000 0.000 0.848 188 N CB 2.204 40.719 38.487 0.045 0.000 1.235 188 N HN 0.970 nan 8.380 nan 0.000 0.496 189 A N 0.936 123.809 122.820 0.089 0.000 2.587 189 A HA 0.616 4.936 4.320 0.001 0.000 0.293 189 A C -1.947 175.709 177.584 0.121 0.000 1.087 189 A CA -0.514 51.655 52.037 0.220 0.000 0.692 189 A CB 0.716 19.884 19.000 0.280 0.000 1.291 189 A HN 0.605 nan 8.150 nan 0.000 0.407 190 Y N 0.632 121.130 120.300 0.331 0.000 2.387 190 Y HA 0.528 5.078 4.550 0.001 0.000 0.330 190 Y C -2.031 174.026 175.900 0.262 0.000 1.133 190 Y CA -1.777 56.514 58.100 0.319 0.000 1.152 190 Y CB 1.274 39.969 38.460 0.392 0.000 1.215 190 Y HN 0.462 nan 8.280 nan 0.000 0.466 191 P HA 0.029 nan 4.420 nan 0.000 0.272 191 P C -0.862 176.561 177.300 0.206 0.000 1.240 191 P CA -0.426 62.820 63.100 0.244 0.000 0.791 191 P CB 0.522 32.340 31.700 0.197 0.000 0.978 192 Q N 1.276 121.146 119.800 0.116 0.000 2.386 192 Q HA 0.025 4.365 4.340 0.001 0.000 0.282 192 Q C 0.178 176.223 176.000 0.075 0.000 1.050 192 Q CA 0.784 56.625 55.803 0.064 0.000 0.918 192 Q CB 0.212 28.966 28.738 0.026 0.000 1.266 192 Q HN 0.510 nan 8.270 nan 0.000 0.423 193 Q N 0.166 119.994 119.800 0.047 0.000 2.416 193 Q HA 0.457 4.798 4.340 0.001 0.000 0.281 193 Q C -1.233 174.781 176.000 0.023 0.000 1.067 193 Q CA -0.956 54.881 55.803 0.056 0.000 0.809 193 Q CB 1.581 30.377 28.738 0.097 0.000 1.418 193 Q HN 0.271 nan 8.270 nan 0.000 0.411 194 D N 0.741 121.158 120.400 0.028 0.000 2.368 194 D HA 0.452 5.093 4.640 0.001 0.000 0.240 194 D C 0.826 177.134 176.300 0.013 0.000 1.169 194 D CA 1.850 55.859 54.000 0.014 0.000 0.906 194 D CB 0.908 41.718 40.800 0.017 0.000 1.187 194 D HN 0.934 nan 8.370 nan 0.000 0.435 195 G N 0.960 109.761 108.800 0.002 0.000 2.681 195 G HA2 -0.221 3.740 3.960 0.001 0.000 0.220 195 G HA3 -0.221 3.740 3.960 0.001 0.000 0.220 195 G C -0.442 174.448 174.900 -0.018 0.000 1.353 195 G CA -0.556 44.544 45.100 0.001 0.000 0.872 195 G HN 0.516 nan 8.290 nan 0.000 0.557 196 K N -0.488 119.904 120.400 -0.013 0.000 2.126 196 K HA 0.612 4.932 4.320 0.001 0.000 0.257 196 K C -0.001 176.566 176.600 -0.055 0.000 1.007 196 K CA 0.098 56.362 56.287 -0.039 0.000 0.928 196 K CB 1.072 33.562 32.500 -0.018 0.000 1.013 196 K HN 0.368 nan 8.250 nan 0.000 0.473 197 S N 1.669 117.264 115.700 -0.176 0.000 2.472 197 S HA 0.046 4.516 4.470 0.001 0.000 0.191 197 S C -0.829 173.471 174.600 -0.500 0.000 1.244 197 S CA -0.595 57.347 58.200 -0.430 0.000 1.227 197 S CB 0.013 62.686 63.200 -0.878 0.000 1.381 197 S HN 0.747 nan 8.310 nan 0.000 0.394 198 D N -0.355 120.019 120.400 -0.043 0.000 2.520 198 D HA 0.291 4.932 4.640 0.001 0.000 0.223 198 D C 1.226 177.737 176.300 0.352 0.000 1.186 198 D CA 0.488 54.554 54.000 0.110 0.000 0.821 198 D CB 0.056 40.911 40.800 0.092 0.000 1.072 198 D HN 0.496 nan 8.370 nan 0.000 0.518 199 G N 0.376 109.407 108.800 0.385 0.000 2.218 199 G HA2 -0.308 3.652 3.960 0.001 0.000 0.216 199 G HA3 -0.308 3.652 3.960 0.001 0.000 0.216 199 G C 1.162 176.107 174.900 0.075 0.000 0.994 199 G CA 0.617 45.900 45.100 0.305 0.000 0.637 199 G HN 0.585 nan 8.290 nan 0.000 0.505 200 T N -0.616 113.909 114.554 -0.049 0.000 3.065 200 T HA 0.364 4.715 4.350 0.001 0.000 0.252 200 T C 0.976 175.654 174.700 -0.037 0.000 1.099 200 T CA 1.025 63.034 62.100 -0.152 0.000 1.063 200 T CB 0.249 68.970 68.868 -0.245 0.000 0.948 200 T HN 0.790 nan 8.240 nan 0.000 0.506 201 E N 2.397 122.620 120.200 0.038 0.000 2.345 201 E HA 0.152 4.502 4.350 0.001 0.000 0.259 201 E C 0.384 177.026 176.600 0.069 0.000 1.117 201 E CA 0.034 56.469 56.400 0.058 0.000 0.913 201 E CB 1.149 30.907 29.700 0.097 0.000 1.057 201 E HN 0.295 nan 8.360 nan 0.000 0.432 202 T N -2.274 112.323 114.554 0.072 0.000 3.040 202 T HA 0.154 4.504 4.350 0.001 0.000 0.266 202 T C 0.131 174.943 174.700 0.186 0.000 1.005 202 T CA -0.408 61.755 62.100 0.104 0.000 0.906 202 T CB -0.161 68.720 68.868 0.021 0.000 1.082 202 T HN 0.286 nan 8.240 nan 0.000 0.531 203 S N 2.917 118.703 115.700 0.144 0.000 2.593 203 S HA 0.169 4.639 4.470 0.001 0.000 0.300 203 S C 0.551 175.215 174.600 0.107 0.000 1.267 203 S CA -0.086 58.190 58.200 0.127 0.000 1.065 203 S CB 0.571 63.843 63.200 0.120 0.000 0.807 203 S HN 0.572 nan 8.310 nan 0.000 0.499 204 T N 2.991 117.594 114.554 0.082 0.000 2.930 204 T HA 0.088 4.439 4.350 0.001 0.000 0.306 204 T C -0.036 174.707 174.700 0.071 0.000 1.045 204 T CA -0.337 61.805 62.100 0.071 0.000 1.134 204 T CB -0.284 68.613 68.868 0.048 0.000 0.961 204 T HN 0.631 nan 8.240 nan 0.000 0.545 205 N N 4.413 123.150 118.700 0.062 0.000 2.457 205 N HA 0.555 5.295 4.740 0.001 0.000 0.250 205 N C -0.887 174.767 175.510 0.239 0.000 0.982 205 N CA -0.476 52.536 53.050 -0.063 0.000 0.941 205 N CB 1.000 39.235 38.487 -0.421 0.000 1.120 205 N HN 0.436 nan 8.380 nan 0.000 0.505 206 L N 1.040 122.442 121.223 0.297 0.000 2.359 206 L HA 0.482 4.822 4.340 0.001 0.000 0.256 206 L C -0.059 177.062 176.870 0.417 0.000 1.026 206 L CA -0.980 54.005 54.840 0.242 0.000 0.828 206 L CB 1.524 43.581 42.059 -0.003 0.000 1.406 206 L HN 0.662 nan 8.230 nan 0.000 0.413 207 H N -0.104 119.120 119.070 0.257 0.000 2.826 207 H HA -0.165 4.391 4.556 0.001 0.000 0.306 207 H C 0.143 175.535 175.328 0.106 0.000 1.235 207 H CA 0.516 56.669 56.048 0.175 0.000 1.150 207 H CB -0.832 29.015 29.762 0.141 0.000 1.409 207 H HN 0.596 nan 8.280 nan 0.000 0.420 208 Q N 1.177 121.015 119.800 0.063 0.000 2.337 208 Q HA 0.216 4.557 4.340 0.001 0.000 0.270 208 Q C -0.112 175.820 176.000 -0.113 0.000 1.002 208 Q CA 0.435 56.017 55.803 -0.369 0.000 0.888 208 Q CB 0.713 29.164 28.738 -0.478 0.000 1.222 208 Q HN 0.359 nan 8.270 nan 0.000 0.400 209 K N 2.613 122.917 120.400 -0.160 0.000 2.350 209 K HA 0.489 4.809 4.320 0.001 0.000 0.241 209 K C -1.301 175.122 176.600 -0.294 0.000 0.994 209 K CA -0.982 55.150 56.287 -0.259 0.000 0.839 209 K CB 1.305 33.581 32.500 -0.373 0.000 1.244 209 K HN 0.419 nan 8.250 nan 0.000 0.443 210 L N 1.953 122.951 121.223 -0.374 0.000 2.287 210 L HA 0.424 4.765 4.340 0.001 0.000 0.287 210 L C -1.669 175.001 176.870 -0.334 0.000 1.022 210 L CA -0.057 54.654 54.840 -0.214 0.000 0.814 210 L CB 0.318 42.352 42.059 -0.042 0.000 1.217 210 L HN 0.459 nan 8.230 nan 0.000 0.420 211 Y N 3.816 124.026 120.300 -0.150 0.000 2.598 211 Y HA 0.485 5.035 4.550 0.001 0.000 0.340 211 Y C -1.200 174.776 175.900 0.127 0.000 1.038 211 Y CA -0.345 57.691 58.100 -0.107 0.000 1.100 211 Y CB 1.778 39.992 38.460 -0.411 0.000 1.281 211 Y HN 0.507 nan 8.280 nan 0.000 0.488 212 Y N 1.515 121.960 120.300 0.242 0.000 2.326 212 Y HA 0.385 4.935 4.550 0.001 0.000 0.331 212 Y C -1.179 174.817 175.900 0.161 0.000 0.962 212 Y CA -1.130 56.992 58.100 0.037 0.000 1.167 212 Y CB 0.529 38.861 38.460 -0.212 0.000 1.148 212 Y HN 0.697 nan 8.280 nan 0.000 0.463 213 H N 4.840 123.701 119.070 -0.348 0.000 2.519 213 H HA 0.562 5.119 4.556 0.001 0.000 0.316 213 H C -1.375 173.528 175.328 -0.708 0.000 1.065 213 H CA -0.550 55.279 56.048 -0.365 0.000 1.264 213 H CB 0.945 30.524 29.762 -0.304 0.000 1.413 213 H HN 0.504 nan 8.280 nan 0.000 0.465 214 V N 7.206 126.531 119.914 -0.980 0.000 2.432 214 V HA 0.032 4.153 4.120 0.001 0.000 0.271 214 V C 0.258 175.755 176.094 -0.995 0.000 1.046 214 V CA -0.716 61.118 62.300 -0.777 0.000 0.945 214 V CB 0.618 32.218 31.823 -0.371 0.000 0.992 214 V HN 0.672 nan 8.190 nan 0.000 0.471 215 L N 5.353 126.150 121.223 -0.710 0.000 2.540 215 L HA 0.482 4.822 4.340 0.001 0.000 0.276 215 L C 1.187 177.829 176.870 -0.381 0.000 1.212 215 L CA 1.961 56.460 54.840 -0.569 0.000 0.893 215 L CB 0.381 42.243 42.059 -0.327 0.000 1.138 215 L HN 0.972 nan 8.230 nan 0.000 0.491 216 G N 1.578 110.203 108.800 -0.293 0.000 2.159 216 G HA2 -0.223 3.737 3.960 0.001 0.000 0.227 216 G HA3 -0.223 3.737 3.960 0.001 0.000 0.227 216 G C 0.217 175.031 174.900 -0.142 0.000 0.986 216 G CA 0.281 45.282 45.100 -0.164 0.000 0.651 216 G HN 1.046 nan 8.290 nan 0.000 0.523 217 T N -2.073 112.367 114.554 -0.190 0.000 2.910 217 T HA 0.669 5.019 4.350 0.001 0.000 0.287 217 T C -0.826 173.886 174.700 0.018 0.000 1.050 217 T CA -0.486 61.549 62.100 -0.109 0.000 1.011 217 T CB 2.598 71.367 68.868 -0.165 0.000 1.195 217 T HN -0.050 nan 8.240 nan 0.000 0.540 218 D N 0.788 121.196 120.400 0.013 0.000 2.313 218 D HA 0.163 4.804 4.640 0.001 0.000 0.247 218 D C 1.170 177.501 176.300 0.052 0.000 1.094 218 D CA -0.340 53.672 54.000 0.021 0.000 0.925 218 D CB 1.488 42.282 40.800 -0.009 0.000 1.188 218 D HN 0.788 nan 8.370 nan 0.000 0.430 219 Q N 1.027 120.819 119.800 -0.013 0.000 2.234 219 Q HA -0.188 4.152 4.340 0.001 0.000 0.206 219 Q C 1.503 177.492 176.000 -0.018 0.000 0.980 219 Q CA 1.574 57.353 55.803 -0.039 0.000 0.869 219 Q CB 0.104 28.756 28.738 -0.143 0.000 0.912 219 Q HN 0.526 nan 8.270 nan 0.000 0.436 220 S N -0.281 115.405 115.700 -0.023 0.000 2.442 220 S HA -0.159 4.311 4.470 0.001 0.000 0.236 220 S C 1.170 175.774 174.600 0.008 0.000 1.007 220 S CA 1.294 59.483 58.200 -0.018 0.000 0.965 220 S CB -0.139 63.051 63.200 -0.016 0.000 0.773 220 S HN 0.483 nan 8.310 nan 0.000 0.504 221 E N 1.037 121.250 120.200 0.022 0.000 2.474 221 E HA 0.101 4.451 4.350 0.001 0.000 0.194 221 E C -0.567 176.073 176.600 0.067 0.000 1.041 221 E CA -0.171 56.248 56.400 0.032 0.000 0.874 221 E CB -0.014 29.691 29.700 0.007 0.000 0.914 221 E HN 0.517 nan 8.360 nan 0.000 0.498 222 D N 1.114 121.572 120.400 0.096 0.000 2.506 222 D HA -0.027 4.614 4.640 0.001 0.000 0.234 222 D C 0.065 176.516 176.300 0.251 0.000 1.143 222 D CA 0.463 54.571 54.000 0.179 0.000 0.871 222 D CB 0.684 41.609 40.800 0.209 0.000 1.190 222 D HN -0.060 nan 8.370 nan 0.000 0.459 223 I N 2.164 122.915 120.570 0.302 0.000 2.365 223 I HA 0.095 4.265 4.170 0.001 0.000 0.291 223 I C 0.319 176.628 176.117 0.320 0.000 1.004 223 I CA -0.823 60.642 61.300 0.274 0.000 1.311 223 I CB 0.554 38.688 38.000 0.223 0.000 1.401 223 I HN 0.221 nan 8.210 nan 0.000 0.491 224 L N 7.105 128.448 121.223 0.200 0.000 2.315 224 L HA 0.229 4.569 4.340 0.001 0.000 0.283 224 L C 0.471 177.343 176.870 0.002 0.000 1.089 224 L CA 0.485 55.291 54.840 -0.056 0.000 0.833 224 L CB 0.758 42.771 42.059 -0.077 0.000 1.170 224 L HN 0.739 nan 8.230 nan 0.000 0.442 225 C N 3.886 123.204 119.300 0.029 0.000 2.791 225 C HA 0.745 5.205 4.460 0.001 0.000 0.288 225 C C 0.860 176.037 174.990 0.312 0.000 1.271 225 C CA 0.110 59.249 59.018 0.201 0.000 1.726 225 C CB -0.935 27.041 27.740 0.392 0.000 2.145 225 C HN 0.912 nan 8.230 nan 0.000 0.572 226 A N 1.098 123.954 122.820 0.061 0.000 2.555 226 A HA 0.665 4.985 4.320 0.001 0.000 0.297 226 A C -1.173 176.094 177.584 -0.530 0.000 1.060 226 A CA -0.393 51.585 52.037 -0.098 0.000 0.710 226 A CB 0.967 19.907 19.000 -0.101 0.000 1.282 226 A HN 0.489 nan 8.150 nan 0.000 0.399 227 E N 0.231 119.972 120.200 -0.765 0.000 2.392 227 E HA 0.727 5.077 4.350 0.001 0.000 0.279 227 E C -1.847 174.180 176.600 -0.955 0.000 0.964 227 E CA -0.867 55.026 56.400 -0.845 0.000 0.777 227 E CB 1.418 30.905 29.700 -0.355 0.000 1.249 227 E HN 0.450 nan 8.360 nan 0.000 0.449 228 F N 0.980 120.948 119.950 0.030 0.000 2.584 228 F HA 0.334 4.862 4.527 0.001 0.000 0.328 228 F C -1.914 173.855 175.800 -0.053 0.000 1.407 228 F CA -2.050 55.921 58.000 -0.048 0.000 1.145 228 F CB 1.268 40.222 39.000 -0.077 0.000 1.440 228 F HN 0.345 nan 8.300 nan 0.000 0.580 229 P HA -0.163 nan 4.420 nan 0.000 0.219 229 P C 0.522 177.889 177.300 0.111 0.000 1.146 229 P CA 1.502 64.695 63.100 0.155 0.000 0.808 229 P CB 0.481 32.205 31.700 0.040 0.000 0.779 230 D N -0.459 119.927 120.400 -0.022 0.000 2.349 230 D HA 0.012 4.653 4.640 0.001 0.000 0.215 230 D C 0.439 176.607 176.300 -0.220 0.000 1.016 230 D CA 0.798 54.743 54.000 -0.091 0.000 0.870 230 D CB 0.179 40.916 40.800 -0.105 0.000 0.917 230 D HN 0.241 nan 8.370 nan 0.000 0.524 231 E N 0.313 120.308 120.200 -0.343 0.000 3.132 231 E HA 0.168 4.519 4.350 0.001 0.000 0.241 231 E C -2.013 174.365 176.600 -0.371 0.000 1.196 231 E CA -1.567 54.483 56.400 -0.585 0.000 0.869 231 E CB 1.862 30.578 29.700 -1.640 0.000 1.387 231 E HN -0.030 nan 8.360 nan 0.000 0.393 232 P HA -0.143 nan 4.420 nan 0.000 0.220 232 P C 0.911 178.043 177.300 -0.279 0.000 1.144 232 P CA 1.241 64.016 63.100 -0.541 0.000 0.800 232 P CB 0.362 31.696 31.700 -0.611 0.000 0.772 233 K N -3.081 117.231 120.400 -0.147 0.000 2.379 233 K HA 0.005 4.325 4.320 0.001 0.000 0.194 233 K C 0.212 176.953 176.600 0.235 0.000 1.031 233 K CA -0.095 56.172 56.287 -0.033 0.000 1.037 233 K CB 0.010 32.454 32.500 -0.093 0.000 0.824 233 K HN 0.135 nan 8.250 nan 0.000 0.516 234 W N 1.743 123.007 121.300 -0.060 0.000 2.181 234 W HA 0.164 4.825 4.660 0.001 0.000 0.335 234 W C 0.184 176.684 176.519 -0.033 0.000 1.310 234 W CA -0.176 57.090 57.345 -0.132 0.000 1.226 234 W CB -0.011 29.214 29.460 -0.392 0.000 1.155 234 W HN -0.089 nan 8.180 nan 0.000 0.565 235 M N 2.995 122.648 119.600 0.089 0.000 2.165 235 M HA 0.389 4.870 4.480 0.001 0.000 0.283 235 M C 0.281 176.583 176.300 0.002 0.000 0.978 235 M CA -0.401 54.963 55.300 0.106 0.000 0.948 235 M CB 1.976 34.625 32.600 0.082 0.000 1.599 235 M HN 0.501 nan 8.290 nan 0.000 0.450 236 G N 1.679 110.555 108.800 0.127 0.000 2.384 236 G HA2 0.656 4.617 3.960 0.001 0.000 0.316 236 G HA3 0.656 4.617 3.960 0.001 0.000 0.316 236 G C -0.349 174.548 174.900 -0.006 0.000 1.160 236 G CA -0.524 44.577 45.100 0.002 0.000 0.936 236 G HN 0.817 nan 8.290 nan 0.000 0.455 237 G N 0.429 109.206 108.800 -0.040 0.000 2.356 237 G HA2 0.711 4.672 3.960 0.001 0.000 0.322 237 G HA3 0.711 4.672 3.960 0.001 0.000 0.322 237 G C -0.153 174.742 174.900 -0.008 0.000 1.125 237 G CA -0.064 45.043 45.100 0.012 0.000 0.885 237 G HN 0.982 nan 8.290 nan 0.000 0.467 238 A N 1.995 124.827 122.820 0.020 0.000 2.325 238 A HA 0.879 5.200 4.320 0.001 0.000 0.333 238 A C -0.055 177.576 177.584 0.079 0.000 1.155 238 A CA -0.693 51.332 52.037 -0.021 0.000 0.814 238 A CB 1.094 19.950 19.000 -0.241 0.000 1.206 238 A HN 0.897 nan 8.150 nan 0.000 0.482 239 E N 1.724 121.976 120.200 0.087 0.000 2.372 239 E HA 0.510 4.861 4.350 0.001 0.000 0.279 239 E C -1.797 174.893 176.600 0.151 0.000 0.946 239 E CA -0.900 55.600 56.400 0.166 0.000 0.769 239 E CB 1.085 30.889 29.700 0.173 0.000 1.230 239 E HN 0.358 nan 8.360 nan 0.000 0.442 240 L N 2.666 124.025 121.223 0.228 0.000 2.334 240 L HA 0.294 4.634 4.340 0.001 0.000 0.277 240 L C 0.725 177.654 176.870 0.098 0.000 1.075 240 L CA -0.239 54.711 54.840 0.184 0.000 0.804 240 L CB 1.305 43.519 42.059 0.257 0.000 1.174 240 L HN 0.882 nan 8.230 nan 0.000 0.438 241 S N 1.227 116.935 115.700 0.014 0.000 2.576 241 S HA 0.025 4.495 4.470 0.001 0.000 0.272 241 S C 0.778 175.469 174.600 0.152 0.000 1.352 241 S CA -0.579 57.595 58.200 -0.043 0.000 1.021 241 S CB 0.722 64.003 63.200 0.135 0.000 0.887 241 S HN 0.556 nan 8.310 nan 0.000 0.542 242 D N 1.220 121.803 120.400 0.306 0.000 2.221 242 D HA -0.101 4.540 4.640 0.001 0.000 0.204 242 D C 1.161 177.618 176.300 0.262 0.000 0.982 242 D CA 1.597 55.778 54.000 0.302 0.000 0.857 242 D CB -0.423 40.511 40.800 0.224 0.000 0.934 242 D HN 0.880 nan 8.370 nan 0.000 0.475 243 D N -1.279 119.206 120.400 0.141 0.000 2.339 243 D HA 0.135 4.776 4.640 0.001 0.000 0.217 243 D C 1.572 177.872 176.300 -0.000 0.000 1.050 243 D CA 0.632 54.697 54.000 0.109 0.000 0.856 243 D CB -0.207 40.638 40.800 0.074 0.000 0.922 243 D HN 0.154 nan 8.370 nan 0.000 0.518 244 G N 1.159 109.770 108.800 -0.316 0.000 2.189 244 G HA2 -0.460 3.500 3.960 0.001 0.000 0.267 244 G HA3 -0.460 3.500 3.960 0.001 0.000 0.267 244 G C 1.155 175.921 174.900 -0.223 0.000 0.975 244 G CA 0.544 45.197 45.100 -0.743 0.000 0.644 244 G HN 0.525 nan 8.290 nan 0.000 0.537 245 R N -0.947 119.497 120.500 -0.093 0.000 2.119 245 R HA 0.224 4.565 4.340 0.001 0.000 0.222 245 R C 0.207 176.354 176.300 -0.255 0.000 1.088 245 R CA 0.821 56.809 56.100 -0.186 0.000 0.984 245 R CB 0.025 30.158 30.300 -0.279 0.000 0.884 245 R HN 0.434 nan 8.270 nan 0.000 0.447 246 Y N -0.694 119.665 120.300 0.098 0.000 2.446 246 Y HA 0.386 4.936 4.550 0.001 0.000 0.345 246 Y C -0.503 175.473 175.900 0.127 0.000 0.984 246 Y CA -1.177 57.020 58.100 0.161 0.000 1.058 246 Y CB 2.131 40.754 38.460 0.271 0.000 1.220 246 Y HN -0.346 nan 8.280 nan 0.000 0.455 247 V N 4.902 124.996 119.914 0.301 0.000 2.407 247 V HA 0.345 4.465 4.120 0.001 0.000 0.278 247 V C -0.273 176.027 176.094 0.343 0.000 1.037 247 V CA -0.760 61.664 62.300 0.206 0.000 0.900 247 V CB 0.903 32.748 31.823 0.036 0.000 0.983 247 V HN 0.549 nan 8.190 nan 0.000 0.459 248 L N 5.817 127.181 121.223 0.235 0.000 2.296 248 L HA 0.558 4.898 4.340 0.001 0.000 0.286 248 L C -0.626 176.329 176.870 0.141 0.000 1.023 248 L CA -0.593 54.390 54.840 0.238 0.000 0.812 248 L CB 1.595 43.743 42.059 0.148 0.000 1.223 248 L HN 0.447 nan 8.230 nan 0.000 0.421 249 L N 2.821 124.084 121.223 0.067 0.000 2.280 249 L HA 0.424 4.765 4.340 0.001 0.000 0.287 249 L C -0.229 176.492 176.870 -0.247 0.000 1.023 249 L CA 0.337 55.055 54.840 -0.204 0.000 0.819 249 L CB 1.579 43.238 42.059 -0.667 0.000 1.212 249 L HN 0.486 nan 8.230 nan 0.000 0.420 250 S N 6.411 122.006 115.700 -0.176 0.000 2.420 250 S HA 0.581 5.051 4.470 0.001 0.000 0.313 250 S C -0.162 174.277 174.600 -0.268 0.000 1.079 250 S CA -0.354 57.745 58.200 -0.168 0.000 1.104 250 S CB 0.273 63.458 63.200 -0.026 0.000 0.969 250 S HN 0.462 nan 8.310 nan 0.000 0.471 251 I N 4.133 124.445 120.570 -0.430 0.000 2.336 251 I HA 0.441 4.611 4.170 0.001 0.000 0.292 251 I C 0.417 176.372 176.117 -0.270 0.000 0.991 251 I CA -0.462 60.530 61.300 -0.514 0.000 1.227 251 I CB 0.995 38.390 38.000 -1.009 0.000 1.366 251 I HN 0.329 nan 8.210 nan 0.000 0.466 252 R N 4.612 124.958 120.500 -0.257 0.000 2.803 252 R HA 0.586 4.926 4.340 0.001 0.000 0.276 252 R C -0.832 175.204 176.300 -0.441 0.000 0.978 252 R CA -0.895 55.035 56.100 -0.283 0.000 0.939 252 R CB 2.594 32.789 30.300 -0.174 0.000 1.179 252 R HN 0.554 nan 8.270 nan 0.000 0.472 253 E N 1.156 120.929 120.200 -0.711 0.000 2.343 253 E HA 0.382 4.733 4.350 0.001 0.000 0.260 253 E C -0.613 175.763 176.600 -0.372 0.000 0.908 253 E CA -0.193 55.898 56.400 -0.516 0.000 0.814 253 E CB 1.214 30.500 29.700 -0.690 0.000 1.302 253 E HN 0.837 nan 8.360 nan 0.000 0.408 254 G N 1.735 110.455 108.800 -0.133 0.000 2.582 254 G HA2 -0.239 3.722 3.960 0.001 0.000 0.222 254 G HA3 -0.239 3.722 3.960 0.001 0.000 0.222 254 G C 0.297 175.183 174.900 -0.024 0.000 1.311 254 G CA -0.277 44.798 45.100 -0.042 0.000 0.915 254 G HN 0.594 nan 8.290 nan 0.000 0.528 255 C N 0.806 120.151 119.300 0.074 0.000 3.183 255 C HA 0.378 4.839 4.460 0.001 0.000 0.285 255 C C 0.624 175.678 174.990 0.106 0.000 1.313 255 C CA -0.410 58.691 59.018 0.139 0.000 1.711 255 C CB -0.991 26.986 27.740 0.396 0.000 2.135 255 C HN 0.619 nan 8.230 nan 0.000 0.651 256 D N 3.048 123.480 120.400 0.054 0.000 2.382 256 D HA 0.119 4.759 4.640 0.001 0.000 0.240 256 D C -2.005 174.320 176.300 0.043 0.000 1.146 256 D CA -0.850 53.200 54.000 0.083 0.000 0.897 256 D CB 0.500 41.331 40.800 0.052 0.000 1.197 256 D HN 0.164 nan 8.370 nan 0.000 0.432 257 P HA 0.057 nan 4.420 nan 0.000 0.237 257 P C -0.675 176.654 177.300 0.049 0.000 1.788 257 P CA -0.147 62.997 63.100 0.073 0.000 1.061 257 P CB -0.110 31.680 31.700 0.150 0.000 1.967 258 V N 0.037 119.966 119.914 0.025 0.000 3.147 258 V HA 0.792 4.912 4.120 0.001 0.000 0.306 258 V C -1.247 174.891 176.094 0.072 0.000 1.209 258 V CA -1.034 61.291 62.300 0.042 0.000 1.023 258 V CB 2.889 34.750 31.823 0.064 0.000 1.059 258 V HN 0.510 nan 8.190 nan 0.000 0.435 259 N N 0.787 119.573 118.700 0.143 0.000 2.815 259 N HA 0.366 5.107 4.740 0.001 0.000 0.253 259 N C -1.369 174.161 175.510 0.034 0.000 1.202 259 N CA -0.886 52.236 53.050 0.120 0.000 0.925 259 N CB 2.164 40.667 38.487 0.028 0.000 1.622 259 N HN 0.829 nan 8.380 nan 0.000 0.497 260 R N 0.183 120.555 120.500 -0.214 0.000 2.615 260 R HA 0.430 4.771 4.340 0.001 0.000 0.270 260 R C -0.604 175.498 176.300 -0.330 0.000 1.081 260 R CA -0.678 55.175 56.100 -0.411 0.000 1.154 260 R CB 0.721 30.543 30.300 -0.797 0.000 1.063 260 R HN 0.464 nan 8.270 nan 0.000 0.519 261 L N 3.343 124.428 121.223 -0.230 0.000 2.446 261 L HA 0.390 4.730 4.340 0.001 0.000 0.268 261 L C -1.798 175.124 176.870 0.087 0.000 0.975 261 L CA -0.348 54.407 54.840 -0.141 0.000 0.848 261 L CB 1.183 43.119 42.059 -0.205 0.000 1.225 261 L HN 0.646 nan 8.230 nan 0.000 0.410 262 W N 4.931 126.129 121.300 -0.169 0.000 2.639 262 W HA 0.596 5.256 4.660 0.001 0.000 0.347 262 W C -0.259 176.314 176.519 0.090 0.000 1.067 262 W CA -0.969 56.295 57.345 -0.135 0.000 1.218 262 W CB 1.087 30.411 29.460 -0.226 0.000 1.393 262 W HN 0.473 nan 8.180 nan 0.000 0.557 263 Y N -0.705 119.782 120.300 0.310 0.000 2.576 263 Y HA 0.712 5.262 4.550 0.001 0.000 0.346 263 Y C -1.022 175.090 175.900 0.353 0.000 1.018 263 Y CA -2.140 56.139 58.100 0.298 0.000 1.050 263 Y CB 1.545 39.977 38.460 -0.047 0.000 1.280 263 Y HN 0.483 nan 8.280 nan 0.000 0.474 264 C N 3.397 122.999 119.300 0.502 0.000 2.432 264 C HA 0.396 4.857 4.460 0.001 0.000 0.334 264 C C -1.021 174.131 174.990 0.269 0.000 1.155 264 C CA -0.619 58.479 59.018 0.133 0.000 1.335 264 C CB -0.210 27.274 27.740 -0.426 0.000 1.964 264 C HN 0.917 nan 8.230 nan 0.000 0.444 265 D N 4.585 125.148 120.400 0.273 0.000 2.344 265 D HA 0.125 4.766 4.640 0.001 0.000 0.253 265 D C 1.165 177.414 176.300 -0.085 0.000 1.255 265 D CA 0.036 54.026 54.000 -0.016 0.000 0.894 265 D CB 0.644 41.464 40.800 0.033 0.000 1.067 265 D HN 0.715 nan 8.370 nan 0.000 0.492 266 L N 3.004 124.157 121.223 -0.117 0.000 2.187 266 L HA -0.179 4.162 4.340 0.001 0.000 0.213 266 L C 2.402 179.222 176.870 -0.083 0.000 1.100 266 L CA 0.874 55.662 54.840 -0.087 0.000 0.765 266 L CB -0.288 41.742 42.059 -0.049 0.000 0.904 266 L HN 0.565 nan 8.230 nan 0.000 0.437 267 Q N -0.048 119.693 119.800 -0.098 0.000 2.226 267 Q HA -0.213 4.127 4.340 0.001 0.000 0.204 267 Q C 1.758 177.728 176.000 -0.050 0.000 0.975 267 Q CA 1.121 56.885 55.803 -0.066 0.000 0.866 267 Q CB 0.157 28.852 28.738 -0.071 0.000 0.915 267 Q HN 0.528 nan 8.270 nan 0.000 0.440 268 Q N 0.449 120.218 119.800 -0.052 0.000 2.444 268 Q HA 0.054 4.394 4.340 0.001 0.000 0.206 268 Q C -0.197 175.769 176.000 -0.056 0.000 0.948 268 Q CA 0.286 56.066 55.803 -0.038 0.000 0.946 268 Q CB 0.381 29.110 28.738 -0.015 0.000 1.027 268 Q HN 0.299 nan 8.270 nan 0.000 0.513 269 E N 0.399 120.555 120.200 -0.073 0.000 2.360 269 E HA 0.055 4.405 4.350 0.001 0.000 0.269 269 E C 0.836 177.400 176.600 -0.059 0.000 1.022 269 E CA 0.023 56.373 56.400 -0.084 0.000 0.887 269 E CB 1.175 30.814 29.700 -0.102 0.000 0.990 269 E HN -0.017 nan 8.360 nan 0.000 0.426 270 S N 2.406 118.072 115.700 -0.056 0.000 2.383 270 S HA -0.197 4.274 4.470 0.001 0.000 0.229 270 S C 1.062 175.642 174.600 -0.033 0.000 1.030 270 S CA 1.454 59.630 58.200 -0.040 0.000 1.002 270 S CB -0.016 63.162 63.200 -0.037 0.000 0.829 270 S HN 0.477 nan 8.310 nan 0.000 0.467 271 N N -0.326 118.351 118.700 -0.037 0.000 2.635 271 N HA 0.337 5.078 4.740 0.001 0.000 0.252 271 N C -0.100 175.389 175.510 -0.035 0.000 1.589 271 N CA 0.726 53.758 53.050 -0.029 0.000 0.828 271 N CB 0.122 38.597 38.487 -0.021 0.000 1.403 271 N HN 0.335 nan 8.380 nan 0.000 0.518 272 G N 0.758 109.530 108.800 -0.047 0.000 2.698 272 G HA2 -0.252 3.708 3.960 0.001 0.000 0.233 272 G HA3 -0.252 3.708 3.960 0.001 0.000 0.233 272 G C -0.353 174.490 174.900 -0.095 0.000 1.352 272 G CA -0.265 44.798 45.100 -0.063 0.000 0.879 272 G HN 0.312 nan 8.290 nan 0.000 0.567 273 I N 2.043 122.526 120.570 -0.144 0.000 2.329 273 I HA 0.321 4.491 4.170 0.001 0.000 0.295 273 I C 1.611 177.676 176.117 -0.086 0.000 1.109 273 I CA 0.708 61.893 61.300 -0.191 0.000 1.297 273 I CB 0.742 38.448 38.000 -0.491 0.000 1.433 273 I HN 0.789 nan 8.210 nan 0.000 0.509 274 T N 0.482 115.005 114.554 -0.051 0.000 3.004 274 T HA 0.501 4.852 4.350 0.001 0.000 0.266 274 T C 0.552 175.257 174.700 0.008 0.000 0.986 274 T CA 0.125 62.219 62.100 -0.010 0.000 0.902 274 T CB 0.849 69.708 68.868 -0.015 0.000 1.118 274 T HN 0.666 nan 8.240 nan 0.000 0.522 275 G N 1.321 110.120 108.800 -0.002 0.000 2.450 275 G HA2 0.440 4.400 3.960 0.001 0.000 0.273 275 G HA3 0.440 4.400 3.960 0.001 0.000 0.273 275 G C -1.659 173.247 174.900 0.009 0.000 1.221 275 G CA -0.924 44.185 45.100 0.015 0.000 0.900 275 G HN 0.189 nan 8.290 nan 0.000 0.483 276 I N 2.398 122.978 120.570 0.017 0.000 2.662 276 I HA 0.135 4.306 4.170 0.001 0.000 0.285 276 I C 0.976 177.050 176.117 -0.071 0.000 1.161 276 I CA 0.263 61.592 61.300 0.048 0.000 1.415 276 I CB -0.302 37.745 38.000 0.079 0.000 1.385 276 I HN 0.246 nan 8.210 nan 0.000 0.552 277 L N 6.984 128.066 121.223 -0.236 0.000 2.472 277 L HA 0.132 4.472 4.340 0.001 0.000 0.260 277 L C 1.067 177.570 176.870 -0.611 0.000 1.209 277 L CA -0.467 54.020 54.840 -0.590 0.000 0.817 277 L CB 0.065 41.457 42.059 -1.111 0.000 1.106 277 L HN 0.476 nan 8.230 nan 0.000 0.479 278 K N 2.025 122.146 120.400 -0.465 0.000 2.449 278 K HA 0.073 4.394 4.320 0.001 0.000 0.237 278 K C -0.999 175.418 176.600 -0.305 0.000 1.265 278 K CA -0.067 56.046 56.287 -0.290 0.000 1.193 278 K CB -0.258 32.128 32.500 -0.190 0.000 1.515 278 K HN 0.302 nan 8.250 nan 0.000 0.259 279 W N 1.273 122.498 121.300 -0.125 0.000 2.264 279 W HA 0.039 4.700 4.660 0.001 0.000 0.331 279 W C 0.272 176.542 176.519 -0.414 0.000 1.364 279 W CA -0.760 56.467 57.345 -0.197 0.000 1.253 279 W CB 0.456 29.856 29.460 -0.101 0.000 1.215 279 W HN 0.009 nan 8.180 nan 0.000 0.561 280 V N 4.677 124.392 119.914 -0.331 0.000 2.347 280 V HA 0.155 4.275 4.120 0.001 0.000 0.280 280 V C 0.192 175.911 176.094 -0.624 0.000 1.021 280 V CA -1.423 60.499 62.300 -0.629 0.000 0.847 280 V CB 1.063 32.202 31.823 -1.140 0.000 0.990 280 V HN 0.410 nan 8.190 nan 0.000 0.444 281 K N 4.649 124.690 120.400 -0.597 0.000 2.278 281 K HA 0.131 4.451 4.320 0.001 0.000 0.237 281 K C 1.001 177.437 176.600 -0.274 0.000 1.229 281 K CA -0.268 55.645 56.287 -0.623 0.000 1.155 281 K CB 0.347 32.343 32.500 -0.839 0.000 1.590 281 K HN 0.524 nan 8.250 nan 0.000 0.290 282 L N 1.721 122.825 121.223 -0.200 0.000 1.971 282 L HA -0.148 4.192 4.340 0.001 0.000 0.215 282 L C 0.551 177.358 176.870 -0.106 0.000 1.072 282 L CA 1.899 56.659 54.840 -0.134 0.000 0.758 282 L CB 0.150 42.123 42.059 -0.143 0.000 0.889 282 L HN 0.395 nan 8.230 nan 0.000 0.433 283 I N 0.583 121.080 120.570 -0.121 0.000 2.390 283 I HA 0.201 4.372 4.170 0.001 0.000 0.283 283 I C -0.686 175.392 176.117 -0.066 0.000 1.016 283 I CA -0.261 60.934 61.300 -0.174 0.000 1.151 283 I CB 0.715 38.439 38.000 -0.461 0.000 1.293 283 I HN 0.122 nan 8.210 nan 0.000 0.458 284 D N 5.775 126.146 120.400 -0.048 0.000 3.123 284 D HA 0.251 4.892 4.640 0.001 0.000 0.305 284 D C -0.356 175.854 176.300 -0.149 0.000 1.373 284 D CA -0.074 53.920 54.000 -0.010 0.000 0.889 284 D CB 0.208 41.016 40.800 0.014 0.000 1.070 284 D HN 0.704 nan 8.370 nan 0.000 0.494 285 N N -2.072 116.462 118.700 -0.277 0.000 3.116 285 N HA 0.266 5.007 4.740 0.001 0.000 0.244 285 N C -1.176 174.088 175.510 -0.410 0.000 1.485 285 N CA -0.768 52.083 53.050 -0.332 0.000 0.884 285 N CB 0.222 38.646 38.487 -0.105 0.000 1.415 285 N HN -0.208 nan 8.380 nan 0.000 0.524 286 F N -0.155 119.747 119.950 -0.079 0.000 2.925 286 F HA 0.423 4.950 4.527 0.001 0.000 0.302 286 F C 1.027 176.807 175.800 -0.034 0.000 1.189 286 F CA -0.483 57.461 58.000 -0.095 0.000 1.346 286 F CB 0.048 38.968 39.000 -0.133 0.000 0.954 286 F HN 0.605 nan 8.300 nan 0.000 0.506 287 E N 0.048 120.326 120.200 0.131 0.000 2.371 287 E HA 0.217 4.567 4.350 0.001 0.000 0.194 287 E C 1.300 177.921 176.600 0.035 0.000 1.012 287 E CA 0.326 56.773 56.400 0.077 0.000 0.860 287 E CB 0.358 30.087 29.700 0.048 0.000 0.811 287 E HN 0.403 nan 8.360 nan 0.000 0.502 288 G N 0.606 109.459 108.800 0.088 0.000 2.660 288 G HA2 0.218 4.178 3.960 0.001 0.000 0.290 288 G HA3 0.218 4.178 3.960 0.001 0.000 0.290 288 G C -1.759 173.037 174.900 -0.173 0.000 1.432 288 G CA -0.737 44.308 45.100 -0.092 0.000 0.807 288 G HN 0.006 nan 8.290 nan 0.000 0.485 289 E N -0.530 119.458 120.200 -0.354 0.000 2.266 289 E HA 0.519 4.870 4.350 0.001 0.000 0.277 289 E C -1.471 174.733 176.600 -0.660 0.000 1.018 289 E CA -0.618 55.629 56.400 -0.256 0.000 0.840 289 E CB 1.055 30.735 29.700 -0.034 0.000 1.082 289 E HN 0.386 nan 8.360 nan 0.000 0.395 290 Y N 2.596 122.885 120.300 -0.017 0.000 2.373 290 Y HA 0.196 4.746 4.550 0.001 0.000 0.327 290 Y C -0.666 175.331 175.900 0.161 0.000 1.036 290 Y CA -1.061 56.983 58.100 -0.093 0.000 1.265 290 Y CB 1.421 39.574 38.460 -0.512 0.000 1.108 290 Y HN 0.449 nan 8.280 nan 0.000 0.471 291 D N 2.616 123.245 120.400 0.382 0.000 2.392 291 D HA 0.069 4.710 4.640 0.001 0.000 0.228 291 D C -0.848 175.758 176.300 0.510 0.000 1.074 291 D CA -0.576 53.653 54.000 0.381 0.000 0.838 291 D CB 0.566 41.492 40.800 0.210 0.000 1.067 291 D HN 0.446 nan 8.370 nan 0.000 0.511 292 Y N 3.845 124.384 120.300 0.399 0.000 2.632 292 Y HA 0.074 4.625 4.550 0.001 0.000 0.329 292 Y C 0.437 176.360 175.900 0.038 0.000 1.174 292 Y CA 0.335 58.517 58.100 0.136 0.000 1.469 292 Y CB 0.719 39.287 38.460 0.181 0.000 1.242 292 Y HN 0.228 nan 8.280 nan 0.000 0.540 293 V N 3.822 123.297 119.914 -0.732 0.000 2.721 293 V HA 0.182 4.303 4.120 0.001 0.000 0.236 293 V C 0.553 176.064 176.094 -0.971 0.000 1.116 293 V CA 1.221 63.162 62.300 -0.599 0.000 1.148 293 V CB 0.395 32.031 31.823 -0.311 0.000 0.886 293 V HN 0.844 nan 8.190 nan 0.000 0.490 294 T N 0.219 114.075 114.554 -1.164 0.000 2.686 294 T HA 0.353 4.704 4.350 0.001 0.000 0.308 294 T C -2.309 172.000 174.700 -0.651 0.000 1.667 294 T CA -0.501 61.097 62.100 -0.836 0.000 0.987 294 T CB 1.629 70.276 68.868 -0.368 0.000 1.652 294 T HN 0.539 nan 8.240 nan 0.000 0.496 295 N N 1.166 119.576 118.700 -0.484 0.000 2.396 295 N HA 0.439 5.180 4.740 0.001 0.000 0.275 295 N C -1.829 173.425 175.510 -0.425 0.000 1.218 295 N CA -0.709 51.894 53.050 -0.745 0.000 0.812 295 N CB 2.256 39.686 38.487 -1.763 0.000 1.592 295 N HN 0.474 nan 8.380 nan 0.000 0.480 296 E N 0.639 120.620 120.200 -0.365 0.000 2.402 296 E HA 0.399 4.750 4.350 0.001 0.000 0.244 296 E C 0.711 177.215 176.600 -0.160 0.000 0.945 296 E CA -0.131 56.154 56.400 -0.192 0.000 0.774 296 E CB 0.966 30.587 29.700 -0.131 0.000 1.296 296 E HN 0.991 nan 8.360 nan 0.000 0.414 297 G N 3.075 111.813 108.800 -0.103 0.000 2.561 297 G HA2 -0.407 3.553 3.960 0.001 0.000 0.289 297 G HA3 -0.407 3.553 3.960 0.001 0.000 0.289 297 G C 0.928 175.810 174.900 -0.030 0.000 1.169 297 G CA 0.680 45.772 45.100 -0.013 0.000 0.980 297 G HN 0.544 nan 8.290 nan 0.000 0.550 298 T N -1.399 113.159 114.554 0.006 0.000 3.129 298 T HA 0.444 4.795 4.350 0.001 0.000 0.251 298 T C 0.830 175.466 174.700 -0.107 0.000 1.117 298 T CA 0.970 63.052 62.100 -0.029 0.000 1.034 298 T CB 0.209 69.128 68.868 0.085 0.000 0.968 298 T HN 1.030 nan 8.240 nan 0.000 0.526 299 V N 2.746 122.586 119.914 -0.124 0.000 2.353 299 V HA 0.409 4.529 4.120 0.001 0.000 0.264 299 V C -0.636 175.305 176.094 -0.256 0.000 1.049 299 V CA -0.842 61.396 62.300 -0.102 0.000 0.896 299 V CB -0.553 31.229 31.823 -0.067 0.000 1.025 299 V HN 0.326 nan 8.190 nan 0.000 0.475 300 F N 2.493 122.207 119.950 -0.394 0.000 2.415 300 F HA 0.451 4.978 4.527 0.001 0.000 0.348 300 F C 0.932 176.495 175.800 -0.394 0.000 1.119 300 F CA -0.379 57.343 58.000 -0.463 0.000 1.069 300 F CB 1.755 40.393 39.000 -0.604 0.000 1.124 300 F HN 0.315 nan 8.300 nan 0.000 0.472 301 T N 5.057 119.380 114.554 -0.385 0.000 2.744 301 T HA 0.513 4.863 4.350 0.001 0.000 0.291 301 T C -0.821 173.638 174.700 -0.402 0.000 0.957 301 T CA -0.143 61.792 62.100 -0.274 0.000 1.002 301 T CB 0.008 68.730 68.868 -0.243 0.000 0.919 301 T HN 0.164 nan 8.240 nan 0.000 0.468 302 F N 1.803 121.769 119.950 0.028 0.000 2.551 302 F HA 0.486 5.013 4.527 0.001 0.000 0.316 302 F C 0.378 176.196 175.800 0.031 0.000 1.089 302 F CA -1.265 56.777 58.000 0.071 0.000 0.915 302 F CB 1.872 40.964 39.000 0.153 0.000 1.186 302 F HN 0.290 nan 8.300 nan 0.000 0.456 303 K N 1.583 122.124 120.400 0.234 0.000 2.234 303 K HA 0.540 4.860 4.320 0.001 0.000 0.282 303 K C -0.671 176.019 176.600 0.150 0.000 1.039 303 K CA 0.016 56.390 56.287 0.145 0.000 0.928 303 K CB 1.169 33.724 32.500 0.092 0.000 1.039 303 K HN 0.770 nan 8.250 nan 0.000 0.470 304 T N 1.747 116.358 114.554 0.094 0.000 2.864 304 T HA 0.277 4.628 4.350 0.001 0.000 0.299 304 T C -0.514 174.105 174.700 -0.135 0.000 1.166 304 T CA -0.829 61.210 62.100 -0.101 0.000 1.007 304 T CB 0.848 69.573 68.868 -0.239 0.000 1.219 304 T HN 0.802 nan 8.240 nan 0.000 0.506 305 N N 0.985 119.470 118.700 -0.359 0.000 2.200 305 N HA 0.157 4.897 4.740 0.001 0.000 0.224 305 N C 0.121 175.435 175.510 -0.326 0.000 1.179 305 N CA -0.528 52.185 53.050 -0.561 0.000 0.877 305 N CB -0.024 37.870 38.487 -0.989 0.000 1.072 305 N HN 0.324 nan 8.380 nan 0.000 0.519 306 R N 1.499 121.842 120.500 -0.262 0.000 2.446 306 R HA 0.003 4.344 4.340 0.001 0.000 0.325 306 R C -0.445 175.811 176.300 -0.073 0.000 0.997 306 R CA 0.475 56.464 56.100 -0.186 0.000 1.010 306 R CB -1.587 28.726 30.300 0.022 0.000 0.946 306 R HN 0.479 nan 8.270 nan 0.000 0.422 307 H N 1.176 120.239 119.070 -0.013 0.000 2.822 307 H HA -0.211 4.346 4.556 0.001 0.000 0.295 307 H C -0.856 174.461 175.328 -0.018 0.000 1.151 307 H CA 1.349 57.393 56.048 -0.006 0.000 1.151 307 H CB -1.232 28.542 29.762 0.019 0.000 1.343 307 H HN 0.645 nan 8.280 nan 0.000 0.382 308 S N -1.663 114.039 115.700 0.003 0.000 2.356 308 S HA 0.222 4.693 4.470 0.001 0.000 0.171 308 S C -1.800 172.707 174.600 -0.154 0.000 1.399 308 S CA -0.894 57.289 58.200 -0.028 0.000 1.225 308 S CB 2.009 65.205 63.200 -0.006 0.000 1.271 308 S HN -0.040 nan 8.310 nan 0.000 0.427 309 P HA -0.076 nan 4.420 nan 0.000 0.221 309 P C 0.351 177.610 177.300 -0.068 0.000 1.145 309 P CA 1.017 64.044 63.100 -0.121 0.000 0.795 309 P CB -0.014 31.687 31.700 0.002 0.000 0.775 310 N N -1.614 117.114 118.700 0.046 0.000 2.280 310 N HA 0.039 4.779 4.740 0.001 0.000 0.192 310 N C -0.266 175.460 175.510 0.360 0.000 1.109 310 N CA -0.041 53.148 53.050 0.231 0.000 0.855 310 N CB -0.450 38.174 38.487 0.227 0.000 0.974 310 N HN 0.127 nan 8.380 nan 0.000 0.482 311 Y N -0.208 120.124 120.300 0.053 0.000 2.515 311 Y HA -0.328 4.223 4.550 0.001 0.000 0.021 311 Y C 0.627 176.548 175.900 0.035 0.000 1.710 311 Y CA -0.067 58.044 58.100 0.018 0.000 1.413 311 Y CB -0.530 37.915 38.460 -0.026 0.000 2.059 311 Y HN 0.231 nan 8.280 nan 0.000 0.255 312 R N 0.470 121.064 120.500 0.156 0.000 2.762 312 R HA 0.911 5.251 4.340 0.001 0.000 0.271 312 R C -2.226 174.127 176.300 0.087 0.000 1.038 312 R CA -1.346 54.821 56.100 0.112 0.000 0.906 312 R CB 1.541 31.906 30.300 0.109 0.000 1.259 312 R HN 0.518 nan 8.270 nan 0.000 0.457 313 L N 2.178 123.442 121.223 0.067 0.000 2.322 313 L HA 0.641 4.982 4.340 0.001 0.000 0.281 313 L C -0.235 176.691 176.870 0.094 0.000 1.014 313 L CA -0.998 53.878 54.840 0.060 0.000 0.815 313 L CB 1.753 43.813 42.059 0.002 0.000 1.247 313 L HN 0.593 nan 8.230 nan 0.000 0.421 314 I N -0.091 120.553 120.570 0.123 0.000 2.892 314 I HA 0.535 4.705 4.170 0.001 0.000 0.306 314 I C -1.034 175.156 176.117 0.122 0.000 1.078 314 I CA -0.771 60.615 61.300 0.144 0.000 1.032 314 I CB 2.374 40.482 38.000 0.180 0.000 1.229 314 I HN 0.499 nan 8.210 nan 0.000 0.435 315 N N 4.017 122.783 118.700 0.110 0.000 2.417 315 N HA 0.609 5.349 4.740 0.001 0.000 0.274 315 N C -1.313 174.243 175.510 0.076 0.000 0.987 315 N CA -0.619 52.480 53.050 0.082 0.000 0.912 315 N CB 2.273 40.798 38.487 0.064 0.000 1.177 315 N HN 0.456 nan 8.380 nan 0.000 0.490 316 I N 1.231 121.843 120.570 0.069 0.000 2.362 316 I HA 0.163 4.334 4.170 0.001 0.000 0.289 316 I C -0.565 175.658 176.117 0.178 0.000 0.994 316 I CA -0.680 60.627 61.300 0.012 0.000 1.158 316 I CB 1.495 39.395 38.000 -0.166 0.000 1.315 316 I HN 0.398 nan 8.210 nan 0.000 0.451 317 D N 6.015 126.542 120.400 0.213 0.000 2.313 317 D HA 0.147 4.788 4.640 0.001 0.000 0.239 317 D C 0.826 177.315 176.300 0.315 0.000 1.142 317 D CA -0.245 53.870 54.000 0.192 0.000 0.847 317 D CB 0.867 41.766 40.800 0.165 0.000 1.082 317 D HN 0.234 nan 8.370 nan 0.000 0.480 318 F N 1.543 121.507 119.950 0.023 0.000 2.307 318 F HA -0.145 4.383 4.527 0.001 0.000 0.301 318 F C 2.549 178.393 175.800 0.074 0.000 1.076 318 F CA 1.220 59.196 58.000 -0.040 0.000 1.383 318 F CB -1.260 37.555 39.000 -0.308 0.000 1.055 318 F HN 0.441 nan 8.300 nan 0.000 0.526 319 T N -3.918 110.799 114.554 0.272 0.000 3.100 319 T HA 0.009 4.360 4.350 0.001 0.000 0.253 319 T C 0.397 175.198 174.700 0.169 0.000 1.118 319 T CA 0.623 62.843 62.100 0.199 0.000 1.058 319 T CB 0.004 68.967 68.868 0.158 0.000 0.953 319 T HN 0.027 nan 8.240 nan 0.000 0.515 320 D N 1.361 121.877 120.400 0.193 0.000 2.978 320 D HA 0.256 4.897 4.640 0.001 0.000 0.268 320 D C -2.041 174.403 176.300 0.238 0.000 1.252 320 D CA -1.638 52.467 54.000 0.175 0.000 0.771 320 D CB 1.277 42.169 40.800 0.153 0.000 1.361 320 D HN 0.039 nan 8.370 nan 0.000 0.558 321 P HA -0.050 nan 4.420 nan 0.000 0.233 321 P C -0.040 177.490 177.300 0.385 0.000 1.167 321 P CA 0.247 63.548 63.100 0.335 0.000 0.770 321 P CB 0.452 32.290 31.700 0.230 0.000 0.837 322 E N 0.810 121.118 120.200 0.180 0.000 2.442 322 E HA -0.077 4.273 4.350 0.001 0.000 0.262 322 E C 1.220 177.653 176.600 -0.278 0.000 1.004 322 E CA -0.016 56.385 56.400 0.001 0.000 0.928 322 E CB 0.573 30.256 29.700 -0.030 0.000 0.937 322 E HN 0.223 nan 8.360 nan 0.000 0.446 323 E N 2.034 121.820 120.200 -0.690 0.000 2.130 323 E HA -0.254 4.096 4.350 0.001 0.000 0.196 323 E C 1.716 177.803 176.600 -0.856 0.000 0.998 323 E CA 1.624 57.068 56.400 -1.593 0.000 0.806 323 E CB 0.067 29.047 29.700 -1.201 0.000 0.738 323 E HN 0.559 nan 8.360 nan 0.000 0.459 324 S N -0.159 115.302 115.700 -0.398 0.000 2.469 324 S HA -0.092 4.378 4.470 0.001 0.000 0.238 324 S C 1.505 176.057 174.600 -0.080 0.000 0.998 324 S CA 0.737 58.825 58.200 -0.186 0.000 0.957 324 S CB -0.010 63.123 63.200 -0.112 0.000 0.764 324 S HN 0.123 nan 8.310 nan 0.000 0.514 325 K N -0.216 120.153 120.400 -0.052 0.000 2.361 325 K HA 0.182 4.503 4.320 0.001 0.000 0.194 325 K C -0.123 176.645 176.600 0.280 0.000 1.032 325 K CA -0.244 56.110 56.287 0.112 0.000 1.048 325 K CB -0.191 32.395 32.500 0.144 0.000 0.842 325 K HN 0.440 nan 8.250 nan 0.000 0.526 326 W N 2.928 124.286 121.300 0.096 0.000 2.209 326 W HA 0.047 4.708 4.660 0.001 0.000 0.344 326 W C 0.708 177.290 176.519 0.105 0.000 1.285 326 W CA -0.563 56.854 57.345 0.120 0.000 1.267 326 W CB 0.089 29.634 29.460 0.142 0.000 1.167 326 W HN -0.272 nan 8.180 nan 0.000 0.574 327 K N 2.005 122.601 120.400 0.327 0.000 2.182 327 K HA 0.424 4.744 4.320 0.001 0.000 0.262 327 K C -0.793 175.924 176.600 0.195 0.000 0.957 327 K CA -1.135 55.279 56.287 0.211 0.000 0.842 327 K CB 1.894 34.484 32.500 0.149 0.000 1.099 327 K HN 0.104 nan 8.250 nan 0.000 0.438 328 V N 4.877 124.889 119.914 0.163 0.000 2.368 328 V HA 0.028 4.148 4.120 0.001 0.000 0.266 328 V C 1.397 177.555 176.094 0.107 0.000 1.045 328 V CA -0.244 62.142 62.300 0.144 0.000 0.899 328 V CB 0.735 32.636 31.823 0.131 0.000 1.006 328 V HN 0.630 nan 8.190 nan 0.000 0.470 329 L N 6.494 127.774 121.223 0.094 0.000 2.102 329 L HA 0.226 4.566 4.340 0.001 0.000 0.202 329 L C 0.744 177.656 176.870 0.070 0.000 1.076 329 L CA 1.827 56.709 54.840 0.071 0.000 0.761 329 L CB 0.484 42.573 42.059 0.049 0.000 0.921 329 L HN 0.436 nan 8.230 nan 0.000 0.444 330 V N 1.266 121.218 119.914 0.064 0.000 2.398 330 V HA 0.381 4.502 4.120 0.001 0.000 0.282 330 V C -2.292 173.856 176.094 0.090 0.000 1.014 330 V CA -1.543 60.797 62.300 0.066 0.000 0.838 330 V CB 1.016 32.837 31.823 -0.003 0.000 1.018 330 V HN 0.092 nan 8.190 nan 0.000 0.432 331 P HA 0.048 nan 4.420 nan 0.000 0.269 331 P C 0.015 177.391 177.300 0.128 0.000 1.217 331 P CA -0.049 63.111 63.100 0.100 0.000 0.783 331 P CB 0.651 32.398 31.700 0.078 0.000 0.898 332 E N 1.508 121.780 120.200 0.120 0.000 2.392 332 E HA -0.051 4.300 4.350 0.001 0.000 0.264 332 E C -0.183 176.510 176.600 0.155 0.000 1.024 332 E CA -0.180 56.311 56.400 0.151 0.000 0.903 332 E CB 0.304 30.070 29.700 0.110 0.000 0.963 332 E HN 0.459 nan 8.360 nan 0.000 0.432 333 H N 3.278 122.426 119.070 0.131 0.000 2.551 333 H HA -0.012 4.545 4.556 0.001 0.000 0.358 333 H C 0.698 176.068 175.328 0.070 0.000 1.151 333 H CA 0.297 56.391 56.048 0.077 0.000 1.374 333 H CB 1.507 31.303 29.762 0.056 0.000 1.473 333 H HN 0.831 nan 8.280 nan 0.000 0.574 334 E N 2.812 122.819 120.200 -0.322 0.000 2.204 334 E HA -0.165 4.186 4.350 0.001 0.000 0.195 334 E C 1.209 177.853 176.600 0.074 0.000 0.990 334 E CA 1.301 57.633 56.400 -0.113 0.000 0.821 334 E CB 0.348 29.931 29.700 -0.194 0.000 0.750 334 E HN 0.634 nan 8.360 nan 0.000 0.477 335 K N -0.669 119.914 120.400 0.306 0.000 2.658 335 K HA 0.044 4.365 4.320 0.001 0.000 0.202 335 K C -0.656 176.134 176.600 0.316 0.000 1.563 335 K CA -0.062 56.395 56.287 0.283 0.000 1.129 335 K CB 0.652 33.266 32.500 0.190 0.000 1.507 335 K HN -0.084 nan 8.250 nan 0.000 0.581 336 D N 1.983 122.598 120.400 0.358 0.000 2.351 336 D HA 0.094 4.734 4.640 0.001 0.000 0.251 336 D C -0.551 175.895 176.300 0.243 0.000 1.137 336 D CA -0.023 54.042 54.000 0.107 0.000 0.879 336 D CB 1.768 42.388 40.800 -0.301 0.000 1.181 336 D HN -0.119 nan 8.370 nan 0.000 0.448 337 V N 3.060 123.081 119.914 0.178 0.000 2.461 337 V HA 0.040 4.160 4.120 0.001 0.000 0.275 337 V C 0.299 176.430 176.094 0.062 0.000 1.047 337 V CA -0.767 61.629 62.300 0.159 0.000 0.955 337 V CB 1.270 33.125 31.823 0.054 0.000 0.988 337 V HN 0.335 nan 8.190 nan 0.000 0.471 338 L N 5.562 126.760 121.223 -0.041 0.000 2.363 338 L HA 0.283 4.623 4.340 0.001 0.000 0.286 338 L C 1.201 177.812 176.870 -0.433 0.000 1.106 338 L CA 0.708 55.246 54.840 -0.504 0.000 0.859 338 L CB 0.025 41.833 42.059 -0.417 0.000 1.223 338 L HN 0.711 nan 8.230 nan 0.000 0.446 339 E N 5.254 125.186 120.200 -0.448 0.000 2.046 339 E HA -0.029 4.322 4.350 0.001 0.000 0.190 339 E C -0.511 175.984 176.600 -0.175 0.000 0.982 339 E CA 1.380 57.595 56.400 -0.309 0.000 0.800 339 E CB 0.169 29.762 29.700 -0.179 0.000 0.756 339 E HN 0.748 nan 8.360 nan 0.000 0.449 340 W N -1.415 119.704 121.300 -0.301 0.000 3.146 340 W HA 0.561 5.221 4.660 0.001 0.000 0.319 340 W C -1.710 174.644 176.519 -0.276 0.000 1.258 340 W CA -0.807 56.387 57.345 -0.252 0.000 1.189 340 W CB 0.642 29.987 29.460 -0.193 0.000 1.412 340 W HN -0.390 nan 8.180 nan 0.000 0.567 341 V N 1.289 121.285 119.914 0.137 0.000 2.888 341 V HA 0.835 4.955 4.120 0.001 0.000 0.309 341 V C -0.338 175.827 176.094 0.118 0.000 1.114 341 V CA -0.696 61.598 62.300 -0.010 0.000 0.940 341 V CB 1.158 32.911 31.823 -0.117 0.000 1.021 341 V HN 0.915 nan 8.190 nan 0.000 0.426 342 A N 2.112 124.973 122.820 0.068 0.000 2.454 342 A HA 0.820 5.140 4.320 0.001 0.000 0.302 342 A C -0.851 176.782 177.584 0.082 0.000 1.079 342 A CA -0.502 51.584 52.037 0.081 0.000 0.731 342 A CB 1.829 20.860 19.000 0.052 0.000 1.299 342 A HN 1.099 nan 8.150 nan 0.000 0.413 343 C N 1.747 121.101 119.300 0.090 0.000 2.329 343 C HA 0.841 5.302 4.460 0.001 0.000 0.329 343 C C -0.372 174.720 174.990 0.169 0.000 1.275 343 C CA -0.118 58.953 59.018 0.089 0.000 1.726 343 C CB 0.056 27.787 27.740 -0.014 0.000 2.291 343 C HN 1.145 nan 8.230 nan 0.000 0.514 344 V N 6.691 126.731 119.914 0.209 0.000 3.087 344 V HA 0.669 4.790 4.120 0.001 0.000 0.306 344 V C 0.303 176.507 176.094 0.183 0.000 1.187 344 V CA -0.552 61.885 62.300 0.228 0.000 0.999 344 V CB 1.783 33.798 31.823 0.320 0.000 1.049 344 V HN 1.054 nan 8.190 nan 0.000 0.431 345 R N 3.380 123.950 120.500 0.116 0.000 3.416 345 R HA -0.216 4.124 4.340 0.001 0.000 0.263 345 R C 0.947 177.181 176.300 -0.110 0.000 1.053 345 R CA 0.900 57.006 56.100 0.009 0.000 0.705 345 R CB -1.448 28.864 30.300 0.020 0.000 1.124 345 R HN 1.381 nan 8.270 nan 0.000 0.444 346 S N -1.956 113.717 115.700 -0.045 0.000 1.694 346 S HA -0.347 4.124 4.470 0.001 0.000 0.236 346 S C 0.596 175.145 174.600 -0.084 0.000 0.821 346 S CA 2.080 60.240 58.200 -0.066 0.000 1.530 346 S CB -0.972 62.173 63.200 -0.091 0.000 1.703 346 S HN 0.910 nan 8.310 nan 0.000 0.517 347 N N 0.114 118.711 118.700 -0.172 0.000 2.282 347 N HA 0.421 5.161 4.740 0.001 0.000 0.240 347 N C -0.815 174.690 175.510 -0.008 0.000 1.182 347 N CA -0.353 52.623 53.050 -0.124 0.000 0.874 347 N CB 0.364 38.763 38.487 -0.147 0.000 1.126 347 N HN 0.289 nan 8.380 nan 0.000 0.516 348 F N 1.244 121.215 119.950 0.036 0.000 2.492 348 F HA 0.568 5.096 4.527 0.001 0.000 0.327 348 F C -0.017 175.818 175.800 0.057 0.000 1.079 348 F CA -1.441 56.593 58.000 0.056 0.000 0.967 348 F CB 1.532 40.581 39.000 0.083 0.000 1.169 348 F HN -0.091 nan 8.300 nan 0.000 0.472 349 L N 2.963 124.347 121.223 0.270 0.000 2.362 349 L HA 0.585 4.925 4.340 0.001 0.000 0.275 349 L C -0.988 175.940 176.870 0.096 0.000 0.998 349 L CA -0.986 53.931 54.840 0.128 0.000 0.820 349 L CB 2.060 44.148 42.059 0.050 0.000 1.270 349 L HN 0.179 nan 8.230 nan 0.000 0.415 350 V N 4.927 124.869 119.914 0.046 0.000 2.350 350 V HA 0.388 4.509 4.120 0.001 0.000 0.276 350 V C 0.091 176.035 176.094 -0.249 0.000 1.028 350 V CA -0.362 61.922 62.300 -0.028 0.000 0.860 350 V CB 1.509 33.326 31.823 -0.009 0.000 0.990 350 V HN 0.466 nan 8.190 nan 0.000 0.453 351 L N 4.748 125.792 121.223 -0.298 0.000 2.322 351 L HA 0.530 4.870 4.340 0.001 0.000 0.281 351 L C -0.365 176.100 176.870 -0.675 0.000 1.014 351 L CA -0.252 54.272 54.840 -0.525 0.000 0.815 351 L CB 1.728 43.517 42.059 -0.450 0.000 1.247 351 L HN 0.666 nan 8.230 nan 0.000 0.421 352 C N 4.033 122.671 119.300 -1.104 0.000 2.301 352 C HA 0.586 5.047 4.460 0.001 0.000 0.323 352 C C -0.244 174.298 174.990 -0.747 0.000 1.265 352 C CA -0.375 58.024 59.018 -1.032 0.000 1.503 352 C CB -0.246 26.355 27.740 -1.898 0.000 2.195 352 C HN 0.643 nan 8.230 nan 0.000 0.477 353 Y N 3.666 123.755 120.300 -0.352 0.000 2.496 353 Y HA 0.678 5.229 4.550 0.001 0.000 0.331 353 Y C -0.011 175.801 175.900 -0.147 0.000 1.140 353 Y CA -0.795 57.167 58.100 -0.230 0.000 1.166 353 Y CB 1.315 39.658 38.460 -0.194 0.000 1.249 353 Y HN 0.525 nan 8.280 nan 0.000 0.479 354 L N 2.404 123.676 121.223 0.081 0.000 2.316 354 L HA 0.350 4.691 4.340 0.001 0.000 0.280 354 L C -1.412 175.492 176.870 0.058 0.000 1.006 354 L CA -0.420 54.440 54.840 0.034 0.000 0.836 354 L CB 0.332 42.362 42.059 -0.048 0.000 1.221 354 L HN 0.656 nan 8.230 nan 0.000 0.418 355 H N 4.366 123.428 119.070 -0.014 0.000 2.638 355 H HA 0.350 4.907 4.556 0.001 0.000 0.303 355 H C -0.561 174.791 175.328 0.040 0.000 1.034 355 H CA -0.315 55.726 56.048 -0.013 0.000 1.225 355 H CB 0.463 30.206 29.762 -0.031 0.000 1.394 355 H HN 0.668 nan 8.280 nan 0.000 0.477 356 D N 4.595 124.838 120.400 -0.261 0.000 2.686 356 D HA -0.182 4.458 4.640 0.001 0.000 0.235 356 D C 0.283 176.568 176.300 -0.025 0.000 1.160 356 D CA 1.211 55.152 54.000 -0.099 0.000 0.645 356 D CB -1.168 39.619 40.800 -0.022 0.000 1.039 356 D HN 0.619 nan 8.370 nan 0.000 0.423 357 V N -2.564 117.287 119.914 -0.104 0.000 4.591 357 V HA -0.357 3.763 4.120 0.001 0.000 0.261 357 V C 0.596 176.834 176.094 0.241 0.000 0.425 357 V CA 1.849 64.170 62.300 0.036 0.000 0.826 357 V CB -1.873 29.962 31.823 0.020 0.000 0.812 357 V HN 0.514 nan 8.190 nan 0.000 1.340 358 K N 0.200 120.714 120.400 0.189 0.000 2.427 358 K HA 0.587 4.908 4.320 0.001 0.000 0.252 358 K C -0.249 176.448 176.600 0.161 0.000 0.931 358 K CA -0.724 55.688 56.287 0.209 0.000 0.793 358 K CB 2.108 34.769 32.500 0.268 0.000 1.211 358 K HN 0.358 nan 8.250 nan 0.000 0.426 359 N N 0.728 119.518 118.700 0.150 0.000 2.530 359 N HA 0.249 4.989 4.740 0.001 0.000 0.277 359 N C -0.736 174.843 175.510 0.116 0.000 1.168 359 N CA -0.087 53.037 53.050 0.123 0.000 0.979 359 N CB 1.049 39.618 38.487 0.137 0.000 1.141 359 N HN 0.567 nan 8.380 nan 0.000 0.459 360 T N -0.706 113.881 114.554 0.056 0.000 2.916 360 T HA 0.561 4.912 4.350 0.001 0.000 0.292 360 T C -1.109 173.571 174.700 -0.032 0.000 1.055 360 T CA -0.877 61.232 62.100 0.015 0.000 1.009 360 T CB 1.375 70.230 68.868 -0.022 0.000 1.118 360 T HN 0.164 nan 8.240 nan 0.000 0.497 361 L N 2.630 123.825 121.223 -0.047 0.000 2.436 361 L HA 0.585 4.926 4.340 0.001 0.000 0.268 361 L C -1.098 175.776 176.870 0.008 0.000 0.974 361 L CA -0.421 54.369 54.840 -0.083 0.000 0.826 361 L CB 1.716 43.675 42.059 -0.168 0.000 1.291 361 L HN 1.180 nan 8.230 nan 0.000 0.406 362 Q N 3.451 123.253 119.800 0.005 0.000 2.511 362 Q HA 0.600 4.940 4.340 0.001 0.000 0.289 362 Q C -2.027 173.979 176.000 0.010 0.000 1.021 362 Q CA -1.019 54.732 55.803 -0.086 0.000 0.785 362 Q CB 3.171 31.878 28.738 -0.051 0.000 1.472 362 Q HN 0.470 nan 8.270 nan 0.000 0.411 363 L N 1.173 122.284 121.223 -0.187 0.000 2.322 363 L HA 0.546 4.886 4.340 0.001 0.000 0.281 363 L C -1.176 175.613 176.870 -0.135 0.000 1.014 363 L CA -0.143 54.629 54.840 -0.112 0.000 0.815 363 L CB 1.543 43.395 42.059 -0.345 0.000 1.247 363 L HN 0.703 nan 8.230 nan 0.000 0.421 364 H N 1.401 120.406 119.070 -0.109 0.000 2.797 364 H HA 0.274 4.831 4.556 0.001 0.000 0.372 364 H C -1.378 173.985 175.328 0.058 0.000 1.168 364 H CA -0.937 55.086 56.048 -0.042 0.000 1.163 364 H CB 2.262 32.017 29.762 -0.012 0.000 1.778 364 H HN 0.552 nan 8.280 nan 0.000 0.551 365 D N 1.217 121.731 120.400 0.189 0.000 2.308 365 D HA -0.018 4.622 4.640 0.001 0.000 0.251 365 D C 0.891 177.288 176.300 0.161 0.000 1.127 365 D CA -0.409 53.717 54.000 0.210 0.000 0.876 365 D CB 1.104 41.984 40.800 0.133 0.000 1.176 365 D HN 0.283 nan 8.370 nan 0.000 0.446 366 L N 4.892 126.196 121.223 0.136 0.000 2.056 366 L HA 0.027 4.367 4.340 0.001 0.000 0.207 366 L C 1.966 178.859 176.870 0.037 0.000 1.078 366 L CA 2.257 57.135 54.840 0.063 0.000 0.749 366 L CB -0.866 41.206 42.059 0.022 0.000 0.901 366 L HN 0.593 nan 8.230 nan 0.000 0.433 367 A N -1.364 121.478 122.820 0.036 0.000 1.933 367 A HA -0.183 4.138 4.320 0.001 0.000 0.218 367 A C 2.248 179.854 177.584 0.037 0.000 1.175 367 A CA 2.373 54.425 52.037 0.025 0.000 0.628 367 A CB -1.007 18.004 19.000 0.018 0.000 0.814 367 A HN 0.614 nan 8.150 nan 0.000 0.444 368 T N -6.288 108.298 114.554 0.052 0.000 2.969 368 T HA 0.434 4.785 4.350 0.001 0.000 0.250 368 T C 1.428 176.173 174.700 0.075 0.000 1.021 368 T CA 1.081 63.214 62.100 0.056 0.000 1.003 368 T CB 0.406 69.303 68.868 0.048 0.000 1.040 368 T HN 1.734 nan 8.240 nan 0.000 0.492 369 G N 1.717 110.577 108.800 0.099 0.000 2.179 369 G HA2 -0.045 3.915 3.960 0.001 0.000 0.260 369 G HA3 -0.045 3.915 3.960 0.001 0.000 0.260 369 G C 0.335 175.376 174.900 0.234 0.000 0.977 369 G CA -0.020 45.169 45.100 0.147 0.000 0.641 369 G HN 1.237 nan 8.290 nan 0.000 0.533 370 A N -0.052 122.843 122.820 0.125 0.000 2.462 370 A HA 0.648 4.968 4.320 0.001 0.000 0.243 370 A C 0.610 178.114 177.584 -0.134 0.000 1.076 370 A CA 0.240 52.299 52.037 0.036 0.000 0.773 370 A CB 0.583 19.583 19.000 -0.000 0.000 1.010 370 A HN 1.653 nan 8.150 nan 0.000 0.493 371 L N 2.587 123.603 121.223 -0.345 0.000 2.455 371 L HA 0.246 4.587 4.340 0.001 0.000 0.272 371 L C 0.472 177.096 176.870 -0.410 0.000 1.174 371 L CA 0.635 55.032 54.840 -0.739 0.000 0.869 371 L CB 0.140 41.882 42.059 -0.529 0.000 1.130 371 L HN 0.736 nan 8.230 nan 0.000 0.474 372 L N 2.740 123.706 121.223 -0.429 0.000 2.624 372 L HA 0.377 4.718 4.340 0.001 0.000 0.222 372 L C 0.150 176.809 176.870 -0.352 0.000 1.046 372 L CA -0.079 54.577 54.840 -0.307 0.000 0.872 372 L CB 0.055 41.946 42.059 -0.281 0.000 1.190 372 L HN 0.580 nan 8.230 nan 0.000 0.487 373 K N 0.378 120.497 120.400 -0.469 0.000 2.542 373 K HA 0.539 4.859 4.320 0.001 0.000 0.259 373 K C -1.652 174.538 176.600 -0.684 0.000 0.932 373 K CA -0.239 55.713 56.287 -0.558 0.000 0.820 373 K CB 1.953 34.044 32.500 -0.683 0.000 1.345 373 K HN -0.073 nan 8.250 nan 0.000 0.432 374 I N 4.329 124.555 120.570 -0.573 0.000 2.354 374 I HA 0.395 4.566 4.170 0.001 0.000 0.292 374 I C -0.750 175.058 176.117 -0.516 0.000 0.989 374 I CA -0.856 60.156 61.300 -0.480 0.000 1.188 374 I CB 0.868 38.702 38.000 -0.277 0.000 1.342 374 I HN 0.469 nan 8.210 nan 0.000 0.457 375 F N 7.406 127.244 119.950 -0.187 0.000 2.371 375 F HA 0.343 4.870 4.527 0.001 0.000 0.363 375 F C -1.757 173.925 175.800 -0.197 0.000 1.122 375 F CA -2.746 55.135 58.000 -0.197 0.000 1.129 375 F CB 0.274 39.097 39.000 -0.296 0.000 1.173 375 F HN 0.236 nan 8.300 nan 0.000 0.489 376 P HA 0.195 nan 4.420 nan 0.000 0.267 376 P C -0.885 176.327 177.300 -0.146 0.000 1.205 376 P CA 0.212 63.263 63.100 -0.081 0.000 0.765 376 P CB 1.221 32.880 31.700 -0.068 0.000 0.828 377 L N 1.933 123.071 121.223 -0.141 0.000 2.409 377 L HA 0.393 4.733 4.340 0.001 0.000 0.262 377 L C 0.694 177.441 176.870 -0.206 0.000 0.992 377 L CA -1.095 53.594 54.840 -0.253 0.000 0.817 377 L CB 2.293 44.270 42.059 -0.137 0.000 1.350 377 L HN 0.258 nan 8.230 nan 0.000 0.411 378 E N 0.764 120.733 120.200 -0.384 0.000 2.405 378 E HA 0.220 4.571 4.350 0.001 0.000 0.253 378 E C -0.574 176.135 176.600 0.181 0.000 1.257 378 E CA -0.554 55.796 56.400 -0.084 0.000 0.960 378 E CB 1.145 30.821 29.700 -0.040 0.000 1.077 378 E HN 0.166 nan 8.360 nan 0.000 0.512 379 V N 1.039 121.111 119.914 0.264 0.000 2.450 379 V HA 0.395 4.516 4.120 0.001 0.000 0.281 379 V C 0.848 177.147 176.094 0.343 0.000 1.019 379 V CA 1.457 63.929 62.300 0.285 0.000 1.062 379 V CB 0.000 31.955 31.823 0.219 0.000 0.979 379 V HN 0.801 nan 8.190 nan 0.000 0.477 380 G N 4.356 113.319 108.800 0.271 0.000 2.441 380 G HA2 0.422 4.382 3.960 0.001 0.000 0.225 380 G HA3 0.422 4.382 3.960 0.001 0.000 0.225 380 G C -1.016 173.829 174.900 -0.092 0.000 1.200 380 G CA -0.170 44.859 45.100 -0.118 0.000 0.947 380 G HN 0.596 nan 8.290 nan 0.000 0.484 381 S N -1.304 114.196 115.700 -0.334 0.000 2.568 381 S HA 0.683 5.153 4.470 0.001 0.000 0.293 381 S C -0.687 173.923 174.600 0.017 0.000 1.089 381 S CA -0.504 57.638 58.200 -0.097 0.000 0.945 381 S CB 2.058 65.178 63.200 -0.133 0.000 1.077 381 S HN 0.813 nan 8.310 nan 0.000 0.485 382 V N 3.038 123.077 119.914 0.207 0.000 2.364 382 V HA 0.236 4.357 4.120 0.001 0.000 0.272 382 V C 0.781 177.034 176.094 0.266 0.000 1.036 382 V CA -0.256 62.250 62.300 0.344 0.000 0.880 382 V CB 1.031 33.126 31.823 0.453 0.000 0.991 382 V HN 0.852 nan 8.190 nan 0.000 0.460 383 V N 1.955 121.996 119.914 0.212 0.000 3.528 383 V HA 0.732 4.853 4.120 0.001 0.000 0.294 383 V C 0.589 176.766 176.094 0.138 0.000 1.404 383 V CA 0.489 62.869 62.300 0.133 0.000 1.065 383 V CB 0.227 32.096 31.823 0.077 0.000 0.904 383 V HN 0.812 nan 8.190 nan 0.000 0.435 384 G N -0.553 108.377 108.800 0.216 0.000 2.720 384 G HA2 0.604 4.564 3.960 0.001 0.000 0.295 384 G HA3 0.604 4.564 3.960 0.001 0.000 0.295 384 G C -2.265 172.828 174.900 0.321 0.000 1.437 384 G CA -0.708 44.515 45.100 0.205 0.000 0.886 384 G HN 0.479 nan 8.290 nan 0.000 0.509 385 Y N 0.887 121.241 120.300 0.090 0.000 2.565 385 Y HA 0.669 5.219 4.550 0.001 0.000 0.330 385 Y C -0.774 175.206 175.900 0.133 0.000 1.150 385 Y CA -0.620 57.566 58.100 0.143 0.000 1.055 385 Y CB 1.968 40.394 38.460 -0.058 0.000 1.337 385 Y HN 1.170 nan 8.280 nan 0.000 0.457 386 S N 3.145 118.361 115.700 -0.807 0.000 2.546 386 S HA 0.931 5.402 4.470 0.001 0.000 0.274 386 S C -0.595 173.560 174.600 -0.741 0.000 1.121 386 S CA -0.374 57.511 58.200 -0.524 0.000 0.887 386 S CB 1.677 64.909 63.200 0.052 0.000 1.094 386 S HN 2.018 nan 8.310 nan 0.000 0.474 387 G N 2.518 111.153 108.800 -0.276 0.000 2.145 387 G HA2 0.287 4.247 3.960 0.001 0.000 0.174 387 G HA3 0.287 4.247 3.960 0.001 0.000 0.174 387 G C -0.985 174.039 174.900 0.207 0.000 1.726 387 G CA -0.420 44.686 45.100 0.011 0.000 1.080 387 G HN 1.031 nan 8.290 nan 0.000 0.606 388 Q N 1.665 121.566 119.800 0.168 0.000 2.166 388 Q HA 0.557 4.897 4.340 0.001 0.000 0.226 388 Q C 1.436 177.526 176.000 0.151 0.000 0.989 388 Q CA -0.722 55.186 55.803 0.175 0.000 0.966 388 Q CB 1.730 30.558 28.738 0.151 0.000 1.173 388 Q HN 0.291 nan 8.270 nan 0.000 0.509 389 K N 0.372 120.850 120.400 0.130 0.000 2.089 389 K HA -0.231 4.089 4.320 0.001 0.000 0.210 389 K C 1.838 178.484 176.600 0.076 0.000 1.048 389 K CA 2.353 58.697 56.287 0.095 0.000 0.926 389 K CB -0.045 32.502 32.500 0.079 0.000 0.714 389 K HN 0.682 nan 8.250 nan 0.000 0.448 390 K N -0.226 120.220 120.400 0.077 0.000 2.418 390 K HA 0.010 4.330 4.320 0.001 0.000 0.195 390 K C -0.191 176.440 176.600 0.053 0.000 1.035 390 K CA 0.371 56.691 56.287 0.055 0.000 1.003 390 K CB 0.146 32.675 32.500 0.049 0.000 0.793 390 K HN -0.011 nan 8.250 nan 0.000 0.494 391 D N 2.281 122.725 120.400 0.075 0.000 2.357 391 D HA -0.012 4.628 4.640 0.001 0.000 0.242 391 D C 0.551 176.904 176.300 0.089 0.000 1.153 391 D CA 0.413 54.462 54.000 0.082 0.000 0.918 391 D CB 1.682 42.547 40.800 0.107 0.000 1.181 391 D HN 0.299 nan 8.370 nan 0.000 0.435 392 T N -2.486 112.121 114.554 0.089 0.000 3.252 392 T HA 0.251 4.601 4.350 0.001 0.000 0.286 392 T C 0.145 174.896 174.700 0.086 0.000 1.013 392 T CA -0.561 61.592 62.100 0.088 0.000 0.914 392 T CB -0.084 68.824 68.868 0.066 0.000 1.131 392 T HN 0.572 nan 8.240 nan 0.000 0.529 393 E N 0.946 121.193 120.200 0.077 0.000 2.407 393 E HA 0.630 4.980 4.350 0.001 0.000 0.279 393 E C -1.251 175.328 176.600 -0.035 0.000 1.012 393 E CA -1.424 54.953 56.400 -0.037 0.000 0.800 393 E CB 1.746 31.425 29.700 -0.036 0.000 1.276 393 E HN 0.414 nan 8.360 nan 0.000 0.452 394 I N -1.694 118.763 120.570 -0.189 0.000 2.785 394 I HA 0.730 4.900 4.170 0.001 0.000 0.302 394 I C -1.424 174.527 176.117 -0.278 0.000 1.069 394 I CA -1.208 60.031 61.300 -0.101 0.000 1.045 394 I CB 1.610 39.663 38.000 0.087 0.000 1.236 394 I HN 0.446 nan 8.210 nan 0.000 0.429 395 F N 3.300 123.218 119.950 -0.055 0.000 2.551 395 F HA 0.696 5.223 4.527 0.001 0.000 0.316 395 F C -0.865 175.019 175.800 0.139 0.000 1.089 395 F CA -0.517 57.459 58.000 -0.040 0.000 0.915 395 F CB 2.216 41.175 39.000 -0.068 0.000 1.186 395 F HN 0.534 nan 8.300 nan 0.000 0.456 396 Y N -0.150 120.336 120.300 0.310 0.000 2.513 396 Y HA 0.580 5.130 4.550 0.001 0.000 0.340 396 Y C -1.347 174.795 175.900 0.403 0.000 1.055 396 Y CA -1.351 56.965 58.100 0.361 0.000 1.020 396 Y CB 1.256 39.941 38.460 0.376 0.000 1.301 396 Y HN 0.624 nan 8.280 nan 0.000 0.453 397 Q N 3.320 123.416 119.800 0.493 0.000 2.316 397 Q HA 0.541 4.881 4.340 0.001 0.000 0.264 397 Q C -2.102 174.181 176.000 0.471 0.000 0.987 397 Q CA -0.863 55.176 55.803 0.393 0.000 0.852 397 Q CB 1.712 30.621 28.738 0.286 0.000 1.287 397 Q HN 0.780 nan 8.270 nan 0.000 0.448 398 F N 2.230 122.361 119.950 0.301 0.000 2.480 398 F HA 0.677 5.204 4.527 0.001 0.000 0.329 398 F C -0.765 175.126 175.800 0.151 0.000 1.091 398 F CA -0.181 57.983 58.000 0.273 0.000 0.972 398 F CB 2.234 41.469 39.000 0.391 0.000 1.150 398 F HN 0.499 nan 8.300 nan 0.000 0.467 399 T N 2.828 116.896 114.554 -0.810 0.000 2.864 399 T HA 0.748 5.098 4.350 0.001 0.000 0.299 399 T C -1.242 172.916 174.700 -0.904 0.000 1.166 399 T CA -0.047 61.694 62.100 -0.599 0.000 1.007 399 T CB 1.267 70.005 68.868 -0.216 0.000 1.219 399 T HN 1.032 nan 8.240 nan 0.000 0.506 400 S N 0.704 116.127 115.700 -0.461 0.000 2.752 400 S HA 0.573 5.043 4.470 0.001 0.000 0.284 400 S C 0.084 174.589 174.600 -0.158 0.000 1.189 400 S CA -0.706 57.259 58.200 -0.392 0.000 0.835 400 S CB 0.361 63.464 63.200 -0.162 0.000 1.192 400 S HN 0.448 nan 8.310 nan 0.000 0.506 401 F N 0.448 120.369 119.950 -0.049 0.000 2.234 401 F HA 0.259 4.787 4.527 0.001 0.000 0.299 401 F C 1.789 177.661 175.800 0.120 0.000 1.087 401 F CA 1.053 59.048 58.000 -0.007 0.000 1.340 401 F CB -0.424 38.525 39.000 -0.084 0.000 1.031 401 F HN 0.358 nan 8.300 nan 0.000 0.500 402 L N -2.086 119.330 121.223 0.320 0.000 2.616 402 L HA 0.206 4.546 4.340 0.001 0.000 0.229 402 L C 0.561 177.580 176.870 0.247 0.000 1.110 402 L CA 0.082 55.097 54.840 0.291 0.000 0.884 402 L CB 0.120 42.308 42.059 0.214 0.000 1.115 402 L HN -0.044 nan 8.230 nan 0.000 0.481 403 S N -1.119 114.613 115.700 0.054 0.000 2.540 403 S HA 0.431 4.901 4.470 0.001 0.000 0.275 403 S C -2.231 171.894 174.600 -0.791 0.000 1.123 403 S CA -1.185 56.801 58.200 -0.356 0.000 0.907 403 S CB 1.918 65.055 63.200 -0.105 0.000 1.081 403 S HN -0.250 nan 8.310 nan 0.000 0.476 404 P HA 0.161 nan 4.420 nan 0.000 0.216 404 P C 0.825 177.968 177.300 -0.262 0.000 1.153 404 P CA 1.923 64.522 63.100 -0.834 0.000 0.858 404 P CB -0.181 31.151 31.700 -0.612 0.000 0.789 405 G N -1.969 106.729 108.800 -0.169 0.000 2.331 405 G HA2 0.091 4.052 3.960 0.001 0.000 0.402 405 G HA3 0.091 4.052 3.960 0.001 0.000 0.402 405 G C -1.683 173.245 174.900 0.046 0.000 1.275 405 G CA -0.799 44.316 45.100 0.024 0.000 1.003 405 G HN 0.068 nan 8.290 nan 0.000 0.500 406 I N -0.030 120.602 120.570 0.103 0.000 2.686 406 I HA 0.521 4.692 4.170 0.001 0.000 0.295 406 I C -0.313 175.725 176.117 -0.131 0.000 1.114 406 I CA -0.905 60.322 61.300 -0.121 0.000 1.038 406 I CB 2.342 40.102 38.000 -0.401 0.000 1.238 406 I HN 0.444 nan 8.210 nan 0.000 0.420 407 I N 5.134 125.605 120.570 -0.166 0.000 2.354 407 I HA 0.341 4.511 4.170 0.001 0.000 0.292 407 I C -1.028 174.974 176.117 -0.192 0.000 0.989 407 I CA -0.470 60.810 61.300 -0.033 0.000 1.188 407 I CB 1.012 39.096 38.000 0.140 0.000 1.342 407 I HN 0.373 nan 8.210 nan 0.000 0.457 408 Y N 4.594 124.756 120.300 -0.230 0.000 2.496 408 Y HA 0.457 5.008 4.550 0.001 0.000 0.331 408 Y C 0.196 175.847 175.900 -0.414 0.000 1.140 408 Y CA -0.493 57.352 58.100 -0.425 0.000 1.166 408 Y CB 1.244 39.101 38.460 -1.005 0.000 1.249 408 Y HN 0.462 nan 8.280 nan 0.000 0.479 409 H N 1.250 120.154 119.070 -0.277 0.000 2.717 409 H HA 0.541 5.097 4.556 0.001 0.000 0.366 409 H C -1.734 173.385 175.328 -0.348 0.000 1.132 409 H CA -0.755 54.937 56.048 -0.595 0.000 1.180 409 H CB 2.100 31.440 29.762 -0.703 0.000 1.678 409 H HN 0.813 nan 8.280 nan 0.000 0.537 410 C N 5.422 124.109 119.300 -1.023 0.000 2.505 410 C HA 0.177 4.637 4.460 0.001 0.000 0.342 410 C C -0.702 173.884 174.990 -0.673 0.000 1.121 410 C CA -0.710 57.941 59.018 -0.612 0.000 1.306 410 C CB 0.277 27.866 27.740 -0.251 0.000 1.897 410 C HN 0.885 nan 8.230 nan 0.000 0.446 411 D N 4.369 124.486 120.400 -0.471 0.000 2.336 411 D HA 0.185 4.825 4.640 0.001 0.000 0.249 411 D C 0.876 177.150 176.300 -0.042 0.000 1.213 411 D CA -0.024 53.856 54.000 -0.200 0.000 0.870 411 D CB 0.722 41.505 40.800 -0.029 0.000 1.076 411 D HN 0.702 nan 8.370 nan 0.000 0.483 412 L N 3.043 124.282 121.223 0.028 0.000 2.599 412 L HA -0.002 4.338 4.340 0.001 0.000 0.230 412 L C 2.030 179.015 176.870 0.191 0.000 1.141 412 L CA 0.595 55.538 54.840 0.172 0.000 0.877 412 L CB -0.343 41.899 42.059 0.305 0.000 1.009 412 L HN 0.467 nan 8.230 nan 0.000 0.447 413 T N -4.550 110.067 114.554 0.104 0.000 3.081 413 T HA 0.078 4.428 4.350 0.001 0.000 0.250 413 T C 0.866 175.611 174.700 0.074 0.000 1.100 413 T CA -0.192 61.957 62.100 0.082 0.000 1.038 413 T CB 0.070 68.972 68.868 0.055 0.000 0.962 413 T HN -0.081 nan 8.240 nan 0.000 0.516 414 K N 2.054 122.498 120.400 0.073 0.000 2.234 414 K HA 0.299 4.619 4.320 0.001 0.000 0.282 414 K C 1.018 177.657 176.600 0.065 0.000 1.039 414 K CA -0.266 56.054 56.287 0.055 0.000 0.928 414 K CB 1.780 34.304 32.500 0.040 0.000 1.039 414 K HN 0.076 nan 8.250 nan 0.000 0.470 415 E N 2.364 122.594 120.200 0.050 0.000 2.086 415 E HA -0.240 4.111 4.350 0.001 0.000 0.200 415 E C 0.698 177.317 176.600 0.032 0.000 1.012 415 E CA 1.843 58.271 56.400 0.047 0.000 0.812 415 E CB 0.282 29.999 29.700 0.029 0.000 0.743 415 E HN 0.436 nan 8.360 nan 0.000 0.453 416 E N -0.261 119.949 120.200 0.016 0.000 2.481 416 E HA 0.044 4.395 4.350 0.001 0.000 0.195 416 E C 0.617 177.208 176.600 -0.015 0.000 1.047 416 E CA 0.261 56.657 56.400 -0.008 0.000 0.867 416 E CB -0.028 29.666 29.700 -0.010 0.000 0.858 416 E HN 0.369 nan 8.360 nan 0.000 0.513 417 L N 1.527 122.760 121.223 0.016 0.000 3.678 417 L HA -0.202 4.139 4.340 0.001 0.000 0.425 417 L C -0.121 176.804 176.870 0.091 0.000 1.240 417 L CA 0.437 55.302 54.840 0.042 0.000 0.876 417 L CB -1.409 40.630 42.059 -0.033 0.000 1.766 417 L HN 0.002 nan 8.230 nan 0.000 0.917 418 E N 2.144 122.380 120.200 0.061 0.000 2.259 418 E HA 0.332 4.682 4.350 0.001 0.000 0.281 418 E C -1.737 174.914 176.600 0.085 0.000 1.037 418 E CA -1.329 55.116 56.400 0.074 0.000 0.854 418 E CB 0.906 30.629 29.700 0.038 0.000 1.051 418 E HN 0.193 nan 8.360 nan 0.000 0.409 419 P HA 0.343 nan 4.420 nan 0.000 0.281 419 P C -0.617 176.742 177.300 0.097 0.000 1.264 419 P CA -0.549 62.599 63.100 0.079 0.000 0.824 419 P CB 1.329 33.102 31.700 0.122 0.000 1.092 420 R N -0.982 119.587 120.500 0.116 0.000 2.740 420 R HA 0.571 4.912 4.340 0.001 0.000 0.273 420 R C -1.263 175.135 176.300 0.164 0.000 0.998 420 R CA -1.106 55.077 56.100 0.139 0.000 0.900 420 R CB 0.656 31.016 30.300 0.100 0.000 1.223 420 R HN 0.064 nan 8.270 nan 0.000 0.466 421 V N 3.188 123.149 119.914 0.078 0.000 2.485 421 V HA 0.033 4.153 4.120 0.001 0.000 0.287 421 V C 0.301 176.374 176.094 -0.036 0.000 1.022 421 V CA 0.352 62.597 62.300 -0.090 0.000 1.067 421 V CB 0.337 32.074 31.823 -0.143 0.000 0.967 421 V HN 0.744 nan 8.190 nan 0.000 0.479 422 F N 4.734 124.560 119.950 -0.208 0.000 2.453 422 F HA 0.423 4.950 4.527 0.001 0.000 0.284 422 F C 1.052 176.698 175.800 -0.258 0.000 1.065 422 F CA 0.123 58.008 58.000 -0.191 0.000 1.411 422 F CB 0.457 39.406 39.000 -0.085 0.000 1.131 422 F HN 0.445 nan 8.300 nan 0.000 0.582 423 R N 1.065 121.455 120.500 -0.183 0.000 2.584 423 R HA 0.363 4.703 4.340 0.001 0.000 0.276 423 R C -1.932 174.247 176.300 -0.201 0.000 1.046 423 R CA -0.471 55.448 56.100 -0.301 0.000 0.906 423 R CB 1.342 31.452 30.300 -0.318 0.000 1.215 423 R HN 0.203 nan 8.270 nan 0.000 0.449 424 E N 3.711 123.800 120.200 -0.185 0.000 2.294 424 E HA 0.426 4.776 4.350 0.001 0.000 0.272 424 E C -1.508 175.045 176.600 -0.077 0.000 0.896 424 E CA -0.852 55.473 56.400 -0.124 0.000 0.802 424 E CB 1.633 31.249 29.700 -0.140 0.000 1.267 424 E HN 0.461 nan 8.360 nan 0.000 0.406 425 V N 1.296 121.193 119.914 -0.028 0.000 2.628 425 V HA 0.825 4.946 4.120 0.001 0.000 0.306 425 V C -0.282 175.768 176.094 -0.072 0.000 1.045 425 V CA -0.345 61.959 62.300 0.007 0.000 0.905 425 V CB 1.445 33.355 31.823 0.146 0.000 0.997 425 V HN 0.671 nan 8.190 nan 0.000 0.436 426 T N 0.960 115.472 114.554 -0.070 0.000 2.885 426 T HA 0.717 5.068 4.350 0.001 0.000 0.285 426 T C -0.471 174.161 174.700 -0.113 0.000 1.019 426 T CA -0.751 61.278 62.100 -0.117 0.000 1.010 426 T CB 1.627 70.454 68.868 -0.068 0.000 1.022 426 T HN 0.767 nan 8.240 nan 0.000 0.466 427 V N 3.331 123.148 119.914 -0.161 0.000 2.353 427 V HA 0.257 4.377 4.120 0.001 0.000 0.264 427 V C 0.581 176.677 176.094 0.003 0.000 1.049 427 V CA -0.722 61.522 62.300 -0.094 0.000 0.896 427 V CB 0.266 32.020 31.823 -0.115 0.000 1.025 427 V HN 0.790 nan 8.190 nan 0.000 0.475 428 K N 3.624 124.042 120.400 0.031 0.000 2.416 428 K HA 0.465 4.785 4.320 0.001 0.000 0.283 428 K C 1.171 177.809 176.600 0.063 0.000 1.037 428 K CA 0.722 57.034 56.287 0.042 0.000 0.995 428 K CB 0.814 33.340 32.500 0.044 0.000 0.938 428 K HN 0.999 nan 8.250 nan 0.000 0.475 429 G N 2.560 111.398 108.800 0.064 0.000 2.380 429 G HA2 -0.147 3.814 3.960 0.001 0.000 0.197 429 G HA3 -0.147 3.814 3.960 0.001 0.000 0.197 429 G C -0.170 174.785 174.900 0.091 0.000 1.001 429 G CA -0.675 44.475 45.100 0.083 0.000 0.668 429 G HN 0.453 nan 8.290 nan 0.000 0.483 430 I N 1.919 122.545 120.570 0.094 0.000 2.418 430 I HA 0.449 4.620 4.170 0.001 0.000 0.287 430 I C -1.363 174.833 176.117 0.132 0.000 1.008 430 I CA -0.968 60.411 61.300 0.132 0.000 1.104 430 I CB 1.588 39.669 38.000 0.135 0.000 1.264 430 I HN 0.107 nan 8.210 nan 0.000 0.438 431 D N 4.998 125.488 120.400 0.150 0.000 2.412 431 D HA 0.491 5.132 4.640 0.001 0.000 0.224 431 D C 0.990 177.370 176.300 0.135 0.000 1.093 431 D CA -0.298 53.750 54.000 0.080 0.000 0.850 431 D CB 1.788 42.583 40.800 -0.008 0.000 1.046 431 D HN 0.625 nan 8.370 nan 0.000 0.507 432 A N 2.910 125.820 122.820 0.149 0.000 1.948 432 A HA -0.203 4.117 4.320 0.001 0.000 0.220 432 A C 2.033 179.688 177.584 0.120 0.000 1.177 432 A CA 2.062 54.217 52.037 0.197 0.000 0.636 432 A CB -0.617 18.461 19.000 0.130 0.000 0.815 432 A HN 0.614 nan 8.150 nan 0.000 0.449 433 S N -0.266 115.448 115.700 0.023 0.000 2.507 433 S HA -0.110 4.360 4.470 0.001 0.000 0.235 433 S C 0.908 175.432 174.600 -0.128 0.000 0.988 433 S CA 1.168 59.351 58.200 -0.029 0.000 0.944 433 S CB -0.321 62.861 63.200 -0.028 0.000 0.762 433 S HN 0.536 nan 8.310 nan 0.000 0.526 434 D N 0.244 120.470 120.400 -0.289 0.000 2.347 434 D HA 0.167 4.808 4.640 0.001 0.000 0.213 434 D C -0.233 175.624 176.300 -0.737 0.000 0.985 434 D CA 0.632 54.286 54.000 -0.576 0.000 0.879 434 D CB 0.052 40.330 40.800 -0.869 0.000 0.919 434 D HN 0.511 nan 8.370 nan 0.000 0.526 435 Y N 0.070 120.344 120.300 -0.044 0.000 2.630 435 Y HA 0.435 4.985 4.550 0.001 0.000 0.337 435 Y C 0.376 176.219 175.900 -0.095 0.000 1.051 435 Y CA -1.255 56.797 58.100 -0.079 0.000 1.121 435 Y CB 1.175 39.596 38.460 -0.066 0.000 1.299 435 Y HN -0.289 nan 8.280 nan 0.000 0.498 436 Q N -0.817 118.966 119.800 -0.028 0.000 2.416 436 Q HA 0.766 5.106 4.340 0.001 0.000 0.281 436 Q C -1.759 174.164 176.000 -0.128 0.000 1.067 436 Q CA -1.090 54.666 55.803 -0.079 0.000 0.809 436 Q CB 2.381 31.049 28.738 -0.117 0.000 1.418 436 Q HN 0.575 nan 8.270 nan 0.000 0.411 437 T N 1.561 116.112 114.554 -0.005 0.000 2.792 437 T HA 0.575 4.926 4.350 0.001 0.000 0.280 437 T C -0.606 174.169 174.700 0.126 0.000 0.990 437 T CA -0.568 61.556 62.100 0.040 0.000 0.960 437 T CB 1.306 70.251 68.868 0.129 0.000 0.939 437 T HN 0.584 nan 8.240 nan 0.000 0.439 438 V N 1.854 121.864 119.914 0.160 0.000 2.769 438 V HA 0.745 4.865 4.120 0.001 0.000 0.312 438 V C -0.767 175.465 176.094 0.230 0.000 1.061 438 V CA -1.091 61.333 62.300 0.206 0.000 0.931 438 V CB 1.977 33.935 31.823 0.224 0.000 1.010 438 V HN 0.858 nan 8.190 nan 0.000 0.433 439 Q N 2.626 122.529 119.800 0.173 0.000 2.331 439 Q HA 0.748 5.088 4.340 0.001 0.000 0.267 439 Q C -1.186 174.724 176.000 -0.151 0.000 1.006 439 Q CA -0.747 55.031 55.803 -0.041 0.000 0.818 439 Q CB 1.918 30.614 28.738 -0.071 0.000 1.276 439 Q HN 0.970 nan 8.270 nan 0.000 0.450 440 I N -0.541 119.828 120.570 -0.335 0.000 3.108 440 I HA 0.684 4.855 4.170 0.001 0.000 0.312 440 I C -1.494 174.255 176.117 -0.613 0.000 1.095 440 I CA -0.877 60.271 61.300 -0.254 0.000 1.000 440 I CB 1.615 39.565 38.000 -0.082 0.000 1.229 440 I HN 0.417 nan 8.210 nan 0.000 0.454 441 F N 2.850 122.759 119.950 -0.068 0.000 2.499 441 F HA 0.597 5.124 4.527 0.001 0.000 0.333 441 F C -0.824 174.926 175.800 -0.084 0.000 1.138 441 F CA -0.510 57.423 58.000 -0.112 0.000 0.945 441 F CB 1.615 40.557 39.000 -0.097 0.000 1.181 441 F HN 0.527 nan 8.300 nan 0.000 0.435 442 Y N 2.329 122.598 120.300 -0.052 0.000 2.409 442 Y HA 0.817 5.368 4.550 0.001 0.000 0.339 442 Y C -3.118 172.824 175.900 0.069 0.000 1.033 442 Y CA -3.794 54.285 58.100 -0.035 0.000 1.094 442 Y CB 1.136 39.462 38.460 -0.224 0.000 1.210 442 Y HN 0.257 nan 8.280 nan 0.000 0.456 443 P HA 0.107 nan 4.420 nan 0.000 0.279 443 P C -0.362 177.038 177.300 0.167 0.000 1.239 443 P CA -0.133 63.024 63.100 0.095 0.000 0.789 443 P CB 2.063 33.828 31.700 0.108 0.000 0.933 444 S N 1.558 117.299 115.700 0.069 0.000 2.671 444 S HA 0.140 4.610 4.470 0.001 0.000 0.272 444 S C 1.546 176.192 174.600 0.077 0.000 1.174 444 S CA -0.546 57.721 58.200 0.111 0.000 1.004 444 S CB 0.374 63.591 63.200 0.028 0.000 1.077 444 S HN 0.480 nan 8.310 nan 0.000 0.553 445 K N 0.346 120.784 120.400 0.063 0.000 2.074 445 K HA -0.192 4.129 4.320 0.001 0.000 0.209 445 K C 0.949 177.560 176.600 0.018 0.000 1.048 445 K CA 2.297 58.608 56.287 0.040 0.000 0.926 445 K CB -0.500 32.018 32.500 0.030 0.000 0.713 445 K HN 0.753 nan 8.250 nan 0.000 0.444 446 D N -1.807 118.590 120.400 -0.004 0.000 2.328 446 D HA 0.056 4.696 4.640 0.001 0.000 0.226 446 D C 1.019 177.311 176.300 -0.012 0.000 1.066 446 D CA 0.781 54.770 54.000 -0.017 0.000 0.861 446 D CB 0.371 41.145 40.800 -0.043 0.000 0.912 446 D HN 0.467 nan 8.370 nan 0.000 0.521 447 G N -0.578 108.223 108.800 0.002 0.000 2.195 447 G HA2 -0.270 3.691 3.960 0.001 0.000 0.246 447 G HA3 -0.270 3.691 3.960 0.001 0.000 0.246 447 G C 0.466 175.363 174.900 -0.006 0.000 0.984 447 G CA 0.219 45.323 45.100 0.006 0.000 0.633 447 G HN 0.455 nan 8.290 nan 0.000 0.525 448 T N 3.230 117.771 114.554 -0.022 0.000 2.902 448 T HA 0.408 4.758 4.350 0.001 0.000 0.301 448 T C 0.415 175.102 174.700 -0.021 0.000 1.012 448 T CA 0.207 62.295 62.100 -0.019 0.000 1.151 448 T CB 1.016 69.854 68.868 -0.050 0.000 0.946 448 T HN 0.172 nan 8.240 nan 0.000 0.542 449 K N 3.765 124.164 120.400 -0.003 0.000 2.312 449 K HA 0.328 4.649 4.320 0.001 0.000 0.287 449 K C -0.160 176.461 176.600 0.036 0.000 1.062 449 K CA -0.437 55.837 56.287 -0.022 0.000 0.934 449 K CB 0.741 33.229 32.500 -0.020 0.000 1.027 449 K HN 0.428 nan 8.250 nan 0.000 0.478 450 I N 5.195 125.624 120.570 -0.234 0.000 2.404 450 I HA 0.320 4.490 4.170 0.001 0.000 0.293 450 I C -2.310 173.651 176.117 -0.259 0.000 0.992 450 I CA -3.166 58.012 61.300 -0.203 0.000 1.149 450 I CB 1.266 38.854 38.000 -0.686 0.000 1.315 450 I HN 0.164 nan 8.210 nan 0.000 0.446 451 P HA 0.441 nan 4.420 nan 0.000 0.277 451 P C -0.762 176.377 177.300 -0.269 0.000 1.240 451 P CA -0.553 62.295 63.100 -0.420 0.000 0.798 451 P CB 0.994 32.489 31.700 -0.342 0.000 0.979 452 M N 2.487 121.839 119.600 -0.414 0.000 2.277 452 M HA 0.469 4.949 4.480 0.001 0.000 0.282 452 M C -1.886 174.245 176.300 -0.281 0.000 1.074 452 M CA -0.564 54.621 55.300 -0.191 0.000 0.954 452 M CB 1.130 33.719 32.600 -0.018 0.000 1.672 452 M HN -0.008 nan 8.290 nan 0.000 0.471 453 F N 5.115 125.063 119.950 -0.004 0.000 2.394 453 F HA 0.641 5.168 4.527 0.001 0.000 0.340 453 F C -0.230 175.500 175.800 -0.116 0.000 1.105 453 F CA -0.349 57.638 58.000 -0.022 0.000 1.124 453 F CB 1.174 40.234 39.000 0.100 0.000 1.145 453 F HN 0.378 nan 8.300 nan 0.000 0.505 454 I N 3.546 124.163 120.570 0.078 0.000 2.499 454 I HA 0.421 4.592 4.170 0.001 0.000 0.288 454 I C -1.246 174.860 176.117 -0.018 0.000 1.048 454 I CA -0.875 60.410 61.300 -0.024 0.000 1.062 454 I CB 1.990 39.920 38.000 -0.116 0.000 1.238 454 I HN 0.115 nan 8.210 nan 0.000 0.426 455 V N 5.803 125.665 119.914 -0.087 0.000 2.448 455 V HA 0.575 4.695 4.120 0.001 0.000 0.295 455 V C -0.716 175.403 176.094 0.042 0.000 1.025 455 V CA -0.451 61.772 62.300 -0.129 0.000 0.859 455 V CB 1.411 33.055 31.823 -0.298 0.000 0.988 455 V HN 0.961 nan 8.190 nan 0.000 0.431 456 H N 1.607 120.712 119.070 0.057 0.000 2.981 456 H HA 0.580 5.136 4.556 0.001 0.000 0.327 456 H C -0.737 174.702 175.328 0.184 0.000 1.342 456 H CA -1.178 54.922 56.048 0.087 0.000 1.123 456 H CB 1.232 31.045 29.762 0.084 0.000 1.851 456 H HN 0.470 nan 8.280 nan 0.000 0.531 457 K N 1.509 122.109 120.400 0.334 0.000 2.401 457 K HA 0.133 4.454 4.320 0.001 0.000 0.278 457 K C -0.536 176.172 176.600 0.181 0.000 1.018 457 K CA -0.488 55.927 56.287 0.214 0.000 0.981 457 K CB 0.499 33.059 32.500 0.100 0.000 0.933 457 K HN 0.604 nan 8.250 nan 0.000 0.477 458 K N 1.611 122.018 120.400 0.013 0.000 2.414 458 K HA 0.028 4.349 4.320 0.001 0.000 0.272 458 K C 0.768 177.401 176.600 0.056 0.000 0.993 458 K CA 0.900 57.214 56.287 0.044 0.000 0.964 458 K CB 0.418 32.899 32.500 -0.033 0.000 0.925 458 K HN 0.944 nan 8.250 nan 0.000 0.487 459 G N 1.968 110.819 108.800 0.084 0.000 2.162 459 G HA2 -0.274 3.686 3.960 0.001 0.000 0.260 459 G HA3 -0.274 3.686 3.960 0.001 0.000 0.260 459 G C 0.284 175.194 174.900 0.017 0.000 0.976 459 G CA 0.473 45.596 45.100 0.039 0.000 0.655 459 G HN 0.723 nan 8.290 nan 0.000 0.533 460 I N -1.925 118.648 120.570 0.005 0.000 2.836 460 I HA 0.534 4.704 4.170 0.001 0.000 0.285 460 I C 0.466 176.558 176.117 -0.042 0.000 1.174 460 I CA -0.464 60.800 61.300 -0.060 0.000 1.405 460 I CB 0.534 38.366 38.000 -0.281 0.000 1.385 460 I HN -0.052 nan 8.210 nan 0.000 0.594 461 K N 5.633 126.064 120.400 0.052 0.000 2.234 461 K HA 0.400 4.721 4.320 0.001 0.000 0.282 461 K C -0.550 176.081 176.600 0.053 0.000 1.039 461 K CA -0.497 55.806 56.287 0.027 0.000 0.928 461 K CB 1.415 33.930 32.500 0.024 0.000 1.039 461 K HN 0.592 nan 8.250 nan 0.000 0.470 462 L N 4.644 125.811 121.223 -0.094 0.000 2.437 462 L HA 0.017 4.358 4.340 0.001 0.000 0.243 462 L C 0.347 177.141 176.870 -0.125 0.000 1.346 462 L CA -0.043 54.686 54.840 -0.185 0.000 1.233 462 L CB -0.695 41.141 42.059 -0.371 0.000 1.436 462 L HN 0.692 nan 8.230 nan 0.000 0.416 463 D N -0.856 119.494 120.400 -0.084 0.000 2.363 463 D HA 0.082 4.723 4.640 0.001 0.000 0.214 463 D C 1.349 177.574 176.300 -0.125 0.000 1.093 463 D CA 0.289 54.226 54.000 -0.106 0.000 0.837 463 D CB 0.592 41.330 40.800 -0.103 0.000 0.948 463 D HN 0.350 nan 8.370 nan 0.000 0.507 464 G N 0.668 109.398 108.800 -0.117 0.000 2.148 464 G HA2 -0.356 3.604 3.960 0.001 0.000 0.254 464 G HA3 -0.356 3.604 3.960 0.001 0.000 0.254 464 G C 1.061 175.877 174.900 -0.140 0.000 0.981 464 G CA 0.813 45.861 45.100 -0.086 0.000 0.670 464 G HN 0.696 nan 8.290 nan 0.000 0.528 465 S N -0.316 115.185 115.700 -0.332 0.000 2.558 465 S HA 0.196 4.666 4.470 0.001 0.000 0.217 465 S C 0.819 175.207 174.600 -0.354 0.000 0.975 465 S CA 0.132 58.122 58.200 -0.349 0.000 0.912 465 S CB 0.002 62.968 63.200 -0.390 0.000 0.776 465 S HN 0.620 nan 8.310 nan 0.000 0.526 466 H N 2.503 121.586 119.070 0.023 0.000 2.487 466 H HA 0.447 5.003 4.556 0.001 0.000 0.333 466 H C -2.892 172.491 175.328 0.092 0.000 1.114 466 H CA -2.269 53.802 56.048 0.039 0.000 1.310 466 H CB 0.306 30.093 29.762 0.042 0.000 1.462 466 H HN 0.182 nan 8.280 nan 0.000 0.516 467 P HA 0.248 nan 4.420 nan 0.000 0.275 467 P C -0.862 176.692 177.300 0.422 0.000 1.227 467 P CA -0.203 63.071 63.100 0.290 0.000 0.781 467 P CB 0.865 32.722 31.700 0.261 0.000 0.906 468 A N 2.711 125.830 122.820 0.499 0.000 2.454 468 A HA 0.741 5.062 4.320 0.001 0.000 0.302 468 A C -1.737 176.168 177.584 0.535 0.000 1.079 468 A CA -0.513 51.837 52.037 0.520 0.000 0.731 468 A CB 0.924 20.114 19.000 0.316 0.000 1.299 468 A HN 0.471 nan 8.150 nan 0.000 0.413 469 F N 2.291 122.425 119.950 0.306 0.000 2.500 469 F HA 0.580 5.107 4.527 0.001 0.000 0.349 469 F C -1.086 174.798 175.800 0.139 0.000 1.127 469 F CA -0.834 57.209 58.000 0.071 0.000 0.998 469 F CB 1.463 40.327 39.000 -0.228 0.000 1.237 469 F HN 0.482 nan 8.300 nan 0.000 0.439 470 L N 8.172 129.351 121.223 -0.074 0.000 2.287 470 L HA 0.465 4.805 4.340 0.001 0.000 0.287 470 L C -1.901 175.016 176.870 0.078 0.000 1.022 470 L CA -0.624 54.227 54.840 0.019 0.000 0.814 470 L CB 0.768 42.770 42.059 -0.096 0.000 1.217 470 L HN 0.600 nan 8.230 nan 0.000 0.420 471 Y N 4.281 124.671 120.300 0.150 0.000 2.409 471 Y HA 0.831 5.381 4.550 0.001 0.000 0.339 471 Y C 0.093 176.205 175.900 0.353 0.000 1.033 471 Y CA -0.067 58.154 58.100 0.200 0.000 1.094 471 Y CB 1.960 40.561 38.460 0.236 0.000 1.210 471 Y HN 0.748 nan 8.280 nan 0.000 0.456 472 G N 3.676 112.125 108.800 -0.585 0.000 2.677 472 G HA2 0.358 4.319 3.960 0.001 0.000 0.291 472 G HA3 0.358 4.319 3.960 0.001 0.000 0.291 472 G C -1.835 172.676 174.900 -0.648 0.000 1.435 472 G CA -0.503 44.324 45.100 -0.455 0.000 0.826 472 G HN 0.662 nan 8.290 nan 0.000 0.491 473 F N 0.430 120.129 119.950 -0.420 0.000 2.043 473 F HA 0.532 5.059 4.527 0.001 0.000 0.236 473 F C 1.454 177.124 175.800 -0.217 0.000 1.117 473 F CA 1.532 59.358 58.000 -0.290 0.000 1.263 473 F CB 0.377 39.322 39.000 -0.091 0.000 1.642 473 F HN 1.520 nan 8.300 nan 0.000 0.518 474 G N 1.422 110.219 108.800 -0.005 0.000 2.546 474 G HA2 0.375 4.335 3.960 0.001 0.000 0.285 474 G HA3 0.375 4.335 3.960 0.001 0.000 0.285 474 G C -0.056 174.696 174.900 -0.246 0.000 1.105 474 G CA 0.312 45.329 45.100 -0.138 0.000 1.189 474 G HN 1.476 nan 8.290 nan 0.000 0.534 475 G N -1.251 107.538 108.800 -0.019 0.000 2.325 475 G HA2 0.617 4.577 3.960 0.001 0.000 0.297 475 G HA3 0.617 4.577 3.960 0.001 0.000 0.297 475 G C 0.003 175.037 174.900 0.223 0.000 1.448 475 G CA 0.174 45.217 45.100 -0.094 0.000 0.838 475 G HN 1.481 nan 8.290 nan 0.000 0.579 476 F N -0.343 119.594 119.950 -0.021 0.000 3.084 476 F HA -0.247 4.281 4.527 0.001 0.000 0.286 476 F C 1.320 176.926 175.800 -0.324 0.000 0.855 476 F CA 1.314 59.230 58.000 -0.140 0.000 1.091 476 F CB -1.483 37.508 39.000 -0.014 0.000 1.177 476 F HN 1.128 nan 8.300 nan 0.000 0.542 477 N N -0.107 118.328 118.700 -0.442 0.000 2.741 477 N HA -0.241 4.500 4.740 0.001 0.000 0.251 477 N C -0.282 175.214 175.510 -0.023 0.000 1.112 477 N CA 1.162 54.035 53.050 -0.296 0.000 0.750 477 N CB -0.895 37.343 38.487 -0.415 0.000 1.119 477 N HN 0.591 nan 8.380 nan 0.000 0.561 478 I N 0.570 121.194 120.570 0.090 0.000 2.342 478 I HA 0.144 4.314 4.170 0.001 0.000 0.291 478 I C 0.321 176.490 176.117 0.087 0.000 1.010 478 I CA -0.447 60.885 61.300 0.054 0.000 1.308 478 I CB 1.323 39.301 38.000 -0.037 0.000 1.400 478 I HN 0.055 nan 8.210 nan 0.000 0.488 479 S N 6.893 122.616 115.700 0.039 0.000 2.475 479 S HA 0.436 4.906 4.470 0.001 0.000 0.281 479 S C 0.023 174.663 174.600 0.066 0.000 1.198 479 S CA -0.545 57.689 58.200 0.057 0.000 1.063 479 S CB 0.877 64.079 63.200 0.004 0.000 0.972 479 S HN 0.277 nan 8.310 nan 0.000 0.486 480 I N 4.804 125.457 120.570 0.138 0.000 2.276 480 I HA 0.179 4.350 4.170 0.001 0.000 0.290 480 I C 1.112 177.355 176.117 0.210 0.000 1.109 480 I CA -0.225 61.187 61.300 0.186 0.000 1.229 480 I CB -0.733 37.456 38.000 0.315 0.000 1.452 480 I HN 0.595 nan 8.210 nan 0.000 0.497 481 T N 4.168 118.786 114.554 0.107 0.000 2.936 481 T HA 0.594 4.945 4.350 0.001 0.000 0.282 481 T C -2.648 171.952 174.700 -0.166 0.000 1.003 481 T CA -2.196 59.938 62.100 0.058 0.000 1.005 481 T CB 1.393 70.267 68.868 0.010 0.000 1.097 481 T HN 0.147 nan 8.240 nan 0.000 0.532 482 P HA 0.244 nan 4.420 nan 0.000 0.265 482 P C -0.837 176.015 177.300 -0.747 0.000 1.193 482 P CA 0.015 62.372 63.100 -1.239 0.000 0.765 482 P CB 0.066 30.967 31.700 -1.332 0.000 0.823 483 N N 0.694 118.979 118.700 -0.692 0.000 2.396 483 N HA 0.301 5.041 4.740 0.001 0.000 0.275 483 N C -1.824 173.638 175.510 -0.080 0.000 1.218 483 N CA -1.000 51.892 53.050 -0.262 0.000 0.812 483 N CB 0.734 39.145 38.487 -0.127 0.000 1.592 483 N HN 0.163 nan 8.380 nan 0.000 0.480 484 Y N 1.067 121.308 120.300 -0.099 0.000 2.365 484 Y HA 0.516 5.066 4.550 0.001 0.000 0.340 484 Y C -0.379 175.556 175.900 0.058 0.000 1.016 484 Y CA -0.126 57.970 58.100 -0.006 0.000 1.196 484 Y CB 0.842 39.304 38.460 0.003 0.000 1.167 484 Y HN 0.674 nan 8.280 nan 0.000 0.509 485 S N 5.620 121.057 115.700 -0.440 0.000 2.774 485 S HA 0.344 4.814 4.470 0.001 0.000 0.297 485 S C 0.221 174.508 174.600 -0.522 0.000 1.143 485 S CA -0.735 57.258 58.200 -0.346 0.000 1.090 485 S CB 0.665 63.769 63.200 -0.160 0.000 1.019 485 S HN 0.622 nan 8.310 nan 0.000 0.482 486 V N 4.943 124.594 119.914 -0.438 0.000 2.407 486 V HA -0.132 3.988 4.120 0.001 0.000 0.248 486 V C 2.707 178.672 176.094 -0.215 0.000 1.055 486 V CA 2.401 64.528 62.300 -0.289 0.000 1.049 486 V CB -0.957 30.892 31.823 0.042 0.000 0.662 486 V HN 0.980 nan 8.190 nan 0.000 0.455 487 S N 0.752 116.345 115.700 -0.178 0.000 2.370 487 S HA -0.264 4.206 4.470 0.001 0.000 0.226 487 S C 2.062 176.503 174.600 -0.264 0.000 1.033 487 S CA 1.510 59.649 58.200 -0.103 0.000 1.011 487 S CB -0.505 62.722 63.200 0.045 0.000 0.852 487 S HN 0.586 nan 8.310 nan 0.000 0.457 488 R N 0.817 121.166 120.500 -0.252 0.000 2.115 488 R HA 0.222 4.562 4.340 0.001 0.000 0.226 488 R C 2.339 178.509 176.300 -0.216 0.000 1.100 488 R CA 1.200 57.133 56.100 -0.278 0.000 0.980 488 R CB -0.555 29.631 30.300 -0.189 0.000 0.875 488 R HN 0.413 nan 8.270 nan 0.000 0.445 489 L N 0.332 121.399 121.223 -0.259 0.000 2.201 489 L HA -0.115 4.226 4.340 0.001 0.000 0.212 489 L C 2.159 178.877 176.870 -0.254 0.000 1.105 489 L CA 0.961 55.618 54.840 -0.303 0.000 0.775 489 L CB -0.233 41.627 42.059 -0.333 0.000 0.913 489 L HN 0.189 nan 8.230 nan 0.000 0.440 490 I N -1.013 119.437 120.570 -0.200 0.000 2.353 490 I HA -0.296 3.874 4.170 0.001 0.000 0.248 490 I C 2.417 178.475 176.117 -0.098 0.000 1.119 490 I CA 1.111 62.340 61.300 -0.120 0.000 1.417 490 I CB -0.206 37.645 38.000 -0.248 0.000 1.078 490 I HN 0.170 nan 8.210 nan 0.000 0.421 491 F N 1.323 121.071 119.950 -0.338 0.000 2.134 491 F HA -0.186 4.342 4.527 0.001 0.000 0.299 491 F C 2.242 177.953 175.800 -0.148 0.000 1.097 491 F CA 1.535 59.372 58.000 -0.272 0.000 1.264 491 F CB -0.426 38.306 39.000 -0.447 0.000 1.001 491 F HN -0.229 nan 8.300 nan 0.000 0.479 492 V N 0.855 120.628 119.914 -0.234 0.000 2.244 492 V HA -0.275 3.845 4.120 0.001 0.000 0.244 492 V C 2.549 178.475 176.094 -0.281 0.000 1.042 492 V CA 2.316 64.438 62.300 -0.296 0.000 1.006 492 V CB -0.783 30.869 31.823 -0.284 0.000 0.641 492 V HN 0.283 nan 8.190 nan 0.000 0.446 493 R N -0.257 120.061 120.500 -0.304 0.000 2.062 493 R HA -0.101 4.239 4.340 0.001 0.000 0.229 493 R C 2.160 178.103 176.300 -0.594 0.000 1.128 493 R CA 1.808 57.689 56.100 -0.365 0.000 0.960 493 R CB -0.629 29.418 30.300 -0.422 0.000 0.855 493 R HN 0.632 nan 8.270 nan 0.000 0.432 494 H N -1.239 117.570 119.070 -0.436 0.000 2.553 494 H HA 0.243 4.800 4.556 0.001 0.000 0.265 494 H C 0.815 175.767 175.328 -0.626 0.000 0.964 494 H CA 0.810 56.389 56.048 -0.782 0.000 1.156 494 H CB 0.497 29.400 29.762 -1.433 0.000 1.411 494 H HN 0.254 nan 8.280 nan 0.000 0.558 495 M N -1.102 118.317 119.600 -0.301 0.000 2.340 495 M HA 0.225 4.705 4.480 0.001 0.000 0.345 495 M C 0.917 177.042 176.300 -0.291 0.000 1.008 495 M CA 0.106 55.288 55.300 -0.196 0.000 0.987 495 M CB 1.679 34.262 32.600 -0.029 0.000 1.598 495 M HN 0.212 nan 8.290 nan 0.000 0.569 496 G N 1.375 109.993 108.800 -0.304 0.000 2.225 496 G HA2 -0.208 3.753 3.960 0.001 0.000 0.267 496 G HA3 -0.208 3.753 3.960 0.001 0.000 0.267 496 G C 0.262 175.000 174.900 -0.270 0.000 1.024 496 G CA 0.096 45.069 45.100 -0.212 0.000 0.784 496 G HN 0.606 nan 8.290 nan 0.000 0.507 497 G N -1.802 106.631 108.800 -0.612 0.000 2.528 497 G HA2 0.654 4.615 3.960 0.001 0.000 0.289 497 G HA3 0.654 4.615 3.960 0.001 0.000 0.289 497 G C -0.328 174.480 174.900 -0.152 0.000 1.192 497 G CA -0.102 44.589 45.100 -0.681 0.000 0.921 497 G HN 0.896 nan 8.290 nan 0.000 0.512 498 V N 0.738 120.747 119.914 0.157 0.000 2.495 498 V HA 0.410 4.531 4.120 0.001 0.000 0.298 498 V C -0.388 175.931 176.094 0.374 0.000 1.031 498 V CA -0.681 61.762 62.300 0.237 0.000 0.871 498 V CB 1.402 33.368 31.823 0.239 0.000 0.988 498 V HN 0.664 nan 8.190 nan 0.000 0.432 499 L N 4.887 126.261 121.223 0.251 0.000 2.322 499 L HA 0.954 5.295 4.340 0.001 0.000 0.279 499 L C -0.027 176.913 176.870 0.117 0.000 1.036 499 L CA 0.037 55.020 54.840 0.238 0.000 0.807 499 L CB 1.400 43.514 42.059 0.091 0.000 1.226 499 L HN 0.793 nan 8.230 nan 0.000 0.433 500 A N 4.245 127.167 122.820 0.170 0.000 2.486 500 A HA 0.792 5.112 4.320 0.001 0.000 0.300 500 A C -1.758 175.957 177.584 0.218 0.000 1.048 500 A CA -0.534 51.567 52.037 0.106 0.000 0.696 500 A CB 1.827 20.853 19.000 0.044 0.000 1.278 500 A HN 0.525 nan 8.150 nan 0.000 0.405 501 V N 1.496 121.560 119.914 0.250 0.000 2.482 501 V HA 0.674 4.795 4.120 0.001 0.000 0.295 501 V C 0.265 176.562 176.094 0.339 0.000 1.026 501 V CA -0.262 62.281 62.300 0.405 0.000 0.856 501 V CB 1.470 33.614 31.823 0.535 0.000 1.001 501 V HN 1.382 nan 8.190 nan 0.000 0.424 502 A N 3.519 126.559 122.820 0.366 0.000 2.276 502 A HA 0.589 4.909 4.320 0.001 0.000 0.316 502 A C 0.140 177.933 177.584 0.349 0.000 1.229 502 A CA -0.533 51.712 52.037 0.348 0.000 0.851 502 A CB 0.023 19.265 19.000 0.403 0.000 1.165 502 A HN 0.887 nan 8.150 nan 0.000 0.513 503 N N 2.487 121.356 118.700 0.281 0.000 3.303 503 N HA 0.243 4.984 4.740 0.001 0.000 0.304 503 N C 0.358 176.147 175.510 0.465 0.000 1.302 503 N CA -0.210 53.026 53.050 0.311 0.000 1.213 503 N CB -0.085 38.503 38.487 0.168 0.000 1.481 503 N HN 0.794 nan 8.380 nan 0.000 0.546 504 I N -2.392 118.389 120.570 0.351 0.000 3.112 504 I HA 0.128 4.299 4.170 0.001 0.000 0.284 504 I C 0.587 176.722 176.117 0.031 0.000 1.227 504 I CA -0.682 60.740 61.300 0.203 0.000 1.369 504 I CB 0.727 38.797 38.000 0.115 0.000 1.376 504 I HN 0.113 nan 8.210 nan 0.000 0.608 505 R N 2.002 122.235 120.500 -0.445 0.000 2.784 505 R HA 0.285 4.626 4.340 0.001 0.000 0.266 505 R C 1.138 177.172 176.300 -0.444 0.000 1.044 505 R CA 1.036 56.595 56.100 -0.902 0.000 1.151 505 R CB 0.145 29.848 30.300 -0.995 0.000 1.037 505 R HN 1.082 nan 8.270 nan 0.000 0.478 506 G N 0.001 108.591 108.800 -0.350 0.000 2.308 506 G HA2 -0.228 3.733 3.960 0.001 0.000 0.221 506 G HA3 -0.228 3.733 3.960 0.001 0.000 0.221 506 G C 0.512 175.475 174.900 0.104 0.000 1.032 506 G CA -0.246 44.772 45.100 -0.137 0.000 0.623 506 G HN 0.891 nan 8.290 nan 0.000 0.506 507 G N -0.389 108.523 108.800 0.186 0.000 2.553 507 G HA2 0.557 4.517 3.960 0.001 0.000 0.278 507 G HA3 0.557 4.517 3.960 0.001 0.000 0.278 507 G C 1.030 176.160 174.900 0.383 0.000 1.349 507 G CA 0.261 45.551 45.100 0.317 0.000 1.037 507 G HN 1.340 nan 8.290 nan 0.000 0.508 508 G N -1.520 107.429 108.800 0.248 0.000 3.575 508 G HA2 0.285 4.245 3.960 0.001 0.000 0.273 508 G HA3 0.285 4.245 3.960 0.001 0.000 0.273 508 G C 0.919 175.849 174.900 0.050 0.000 1.053 508 G CA 0.123 45.332 45.100 0.181 0.000 0.803 508 G HN 0.517 nan 8.290 nan 0.000 0.528 509 E N 0.109 120.266 120.200 -0.071 0.000 2.160 509 E HA -0.125 4.226 4.350 0.001 0.000 0.195 509 E C 0.227 176.286 176.600 -0.901 0.000 0.991 509 E CA 1.097 57.180 56.400 -0.528 0.000 0.810 509 E CB -0.144 29.148 29.700 -0.679 0.000 0.742 509 E HN 0.582 nan 8.360 nan 0.000 0.466 510 Y N -0.426 119.619 120.300 -0.424 0.000 2.669 510 Y HA 0.434 4.984 4.550 0.001 0.000 0.302 510 Y C 0.800 176.742 175.900 0.070 0.000 1.000 510 Y CA -0.080 57.866 58.100 -0.257 0.000 1.222 510 Y CB 0.741 38.885 38.460 -0.526 0.000 1.209 510 Y HN 0.106 nan 8.280 nan 0.000 0.571 511 G N 0.589 109.511 108.800 0.204 0.000 2.693 511 G HA2 -0.365 3.596 3.960 0.001 0.000 0.226 511 G HA3 -0.365 3.596 3.960 0.001 0.000 0.226 511 G C 0.698 175.787 174.900 0.314 0.000 1.354 511 G CA 0.233 45.503 45.100 0.284 0.000 0.873 511 G HN 0.314 nan 8.290 nan 0.000 0.562 512 E N -0.420 119.923 120.200 0.238 0.000 2.204 512 E HA -0.086 4.265 4.350 0.001 0.000 0.195 512 E C 2.765 179.476 176.600 0.185 0.000 0.990 512 E CA 2.799 59.326 56.400 0.211 0.000 0.821 512 E CB -0.493 29.254 29.700 0.078 0.000 0.750 512 E HN 0.970 nan 8.360 nan 0.000 0.477 513 T N -2.536 112.127 114.554 0.182 0.000 2.867 513 T HA -0.155 4.195 4.350 0.001 0.000 0.268 513 T C 1.825 176.655 174.700 0.216 0.000 1.057 513 T CA 0.901 63.090 62.100 0.148 0.000 1.136 513 T CB -0.795 68.159 68.868 0.143 0.000 0.874 513 T HN 0.406 nan 8.240 nan 0.000 0.466 514 W N 1.633 122.990 121.300 0.095 0.000 2.381 514 W HA -0.132 4.528 4.660 0.001 0.000 0.301 514 W C 2.339 178.906 176.519 0.079 0.000 1.205 514 W CA 1.331 58.737 57.345 0.103 0.000 1.285 514 W CB -0.431 29.137 29.460 0.180 0.000 1.133 514 W HN 0.504 nan 8.180 nan 0.000 0.521 515 H N 0.696 119.861 119.070 0.159 0.000 2.293 515 H HA -0.174 4.383 4.556 0.001 0.000 0.300 515 H C 2.082 177.329 175.328 -0.134 0.000 1.082 515 H CA 1.904 57.949 56.048 -0.005 0.000 1.308 515 H CB -0.102 29.682 29.762 0.037 0.000 1.375 515 H HN 0.043 nan 8.280 nan 0.000 0.495 516 K N -0.123 120.119 120.400 -0.262 0.000 2.280 516 K HA -0.063 4.257 4.320 0.001 0.000 0.202 516 K C 2.124 178.533 176.600 -0.319 0.000 1.047 516 K CA 0.706 56.775 56.287 -0.363 0.000 0.942 516 K CB -0.022 32.343 32.500 -0.225 0.000 0.739 516 K HN 0.369 nan 8.250 nan 0.000 0.457 517 G N 0.343 108.975 108.800 -0.280 0.000 2.776 517 G HA2 -0.075 3.885 3.960 0.001 0.000 0.209 517 G HA3 -0.075 3.885 3.960 0.001 0.000 0.209 517 G C 0.764 175.413 174.900 -0.419 0.000 1.145 517 G CA 0.530 45.426 45.100 -0.339 0.000 0.791 517 G HN 0.366 nan 8.290 nan 0.000 0.530 518 G N 0.203 108.747 108.800 -0.427 0.000 4.683 518 G HA2 0.504 4.465 3.960 0.001 0.000 0.273 518 G HA3 0.504 4.465 3.960 0.001 0.000 0.273 518 G C -0.076 174.545 174.900 -0.465 0.000 1.065 518 G CA -0.252 44.572 45.100 -0.461 0.000 0.837 518 G HN 0.500 nan 8.290 nan 0.000 0.526 519 I N -3.620 116.668 120.570 -0.469 0.000 3.174 519 I HA 0.724 4.894 4.170 0.001 0.000 0.313 519 I C 0.827 176.657 176.117 -0.478 0.000 1.155 519 I CA -1.301 59.722 61.300 -0.462 0.000 0.977 519 I CB 1.438 39.123 38.000 -0.524 0.000 1.248 519 I HN 0.077 nan 8.210 nan 0.000 0.453 520 L N 0.622 121.592 121.223 -0.421 0.000 5.891 520 L HA -0.395 3.945 4.340 0.001 0.000 0.053 520 L C 1.942 178.023 176.870 -1.315 0.000 2.528 520 L CA 1.407 55.834 54.840 -0.688 0.000 1.612 520 L CB -1.798 39.904 42.059 -0.596 0.000 2.817 520 L HN 0.973 nan 8.230 nan 0.000 0.990 521 A N -0.374 121.306 122.820 -1.899 0.000 2.070 521 A HA -0.088 4.233 4.320 0.001 0.000 0.220 521 A C 1.398 178.503 177.584 -0.799 0.000 1.159 521 A CA 2.051 53.035 52.037 -1.755 0.000 0.656 521 A CB -0.592 17.780 19.000 -1.047 0.000 0.800 521 A HN 0.683 nan 8.150 nan 0.000 0.453 522 N N -0.718 117.610 118.700 -0.620 0.000 2.268 522 N HA 0.018 4.759 4.740 0.001 0.000 0.204 522 N C 1.131 176.364 175.510 -0.461 0.000 1.124 522 N CA 0.419 53.205 53.050 -0.442 0.000 0.838 522 N CB 0.393 38.648 38.487 -0.387 0.000 0.994 522 N HN 0.401 nan 8.380 nan 0.000 0.489 523 K N 1.612 121.714 120.400 -0.496 0.000 2.152 523 K HA -0.170 4.151 4.320 0.001 0.000 0.206 523 K C 1.888 178.003 176.600 -0.809 0.000 1.048 523 K CA 1.178 57.092 56.287 -0.622 0.000 0.933 523 K CB -0.049 32.114 32.500 -0.561 0.000 0.721 523 K HN -0.028 nan 8.250 nan 0.000 0.447 524 Q N 0.634 120.149 119.800 -0.474 0.000 2.297 524 Q HA -0.105 4.236 4.340 0.001 0.000 0.208 524 Q C 1.282 177.094 176.000 -0.313 0.000 0.981 524 Q CA 1.610 57.262 55.803 -0.253 0.000 0.876 524 Q CB -0.344 28.383 28.738 -0.018 0.000 0.921 524 Q HN 0.373 nan 8.270 nan 0.000 0.446 525 N N -0.781 117.700 118.700 -0.365 0.000 2.149 525 N HA -0.149 4.591 4.740 0.001 0.000 0.188 525 N C 1.541 176.840 175.510 -0.351 0.000 1.019 525 N CA 1.438 54.304 53.050 -0.307 0.000 0.857 525 N CB -0.688 37.595 38.487 -0.339 0.000 0.997 525 N HN 0.355 nan 8.380 nan 0.000 0.426 526 C N 0.329 119.284 119.300 -0.575 0.000 2.413 526 C HA -0.087 4.373 4.460 0.001 0.000 0.277 526 C C 2.438 177.213 174.990 -0.359 0.000 1.228 526 C CA 0.271 58.947 59.018 -0.571 0.000 1.731 526 C CB -1.525 25.682 27.740 -0.889 0.000 2.042 526 C HN 0.297 nan 8.230 nan 0.000 0.468 527 F N 1.599 121.465 119.950 -0.140 0.000 2.134 527 F HA -0.084 4.444 4.527 0.001 0.000 0.299 527 F C 2.171 178.003 175.800 0.053 0.000 1.097 527 F CA 1.269 59.243 58.000 -0.044 0.000 1.264 527 F CB -1.333 37.610 39.000 -0.095 0.000 1.001 527 F HN 0.223 nan 8.300 nan 0.000 0.479 528 D N 0.341 120.820 120.400 0.133 0.000 2.097 528 D HA -0.149 4.492 4.640 0.001 0.000 0.195 528 D C 1.839 178.224 176.300 0.141 0.000 0.989 528 D CA 1.461 55.529 54.000 0.113 0.000 0.827 528 D CB -0.515 40.308 40.800 0.038 0.000 0.966 528 D HN 0.182 nan 8.370 nan 0.000 0.456 529 D N -0.186 120.278 120.400 0.107 0.000 2.104 529 D HA -0.156 4.485 4.640 0.001 0.000 0.194 529 D C 1.844 178.353 176.300 0.349 0.000 0.994 529 D CA 0.527 54.649 54.000 0.202 0.000 0.830 529 D CB -0.472 40.383 40.800 0.092 0.000 0.959 529 D HN 0.149 nan 8.370 nan 0.000 0.452 530 F N 1.391 121.412 119.950 0.119 0.000 2.146 530 F HA -0.121 4.406 4.527 0.001 0.000 0.298 530 F C 2.428 178.311 175.800 0.140 0.000 1.096 530 F CA 1.280 59.351 58.000 0.117 0.000 1.275 530 F CB -0.277 38.764 39.000 0.069 0.000 1.008 530 F HN -0.073 nan 8.300 nan 0.000 0.480 531 Q N -1.170 118.775 119.800 0.241 0.000 2.124 531 Q HA -0.233 4.107 4.340 0.001 0.000 0.202 531 Q C 2.408 178.422 176.000 0.023 0.000 0.977 531 Q CA 1.946 57.843 55.803 0.155 0.000 0.850 531 Q CB -0.600 28.249 28.738 0.184 0.000 0.901 531 Q HN 0.419 nan 8.270 nan 0.000 0.429 532 C N 0.031 119.373 119.300 0.071 0.000 2.432 532 C HA -0.045 4.416 4.460 0.001 0.000 0.280 532 C C 2.774 177.616 174.990 -0.247 0.000 1.353 532 C CA 0.518 59.564 59.018 0.046 0.000 1.766 532 C CB -1.140 26.752 27.740 0.253 0.000 1.924 532 C HN 0.608 nan 8.230 nan 0.000 0.509 533 A N 0.718 123.276 122.820 -0.436 0.000 1.898 533 A HA 0.081 4.402 4.320 0.001 0.000 0.216 533 A C 2.384 179.722 177.584 -0.410 0.000 1.181 533 A CA 1.964 53.498 52.037 -0.839 0.000 0.620 533 A CB -0.880 17.800 19.000 -0.532 0.000 0.819 533 A HN 0.540 nan 8.150 nan 0.000 0.442 534 A N -0.120 122.523 122.820 -0.295 0.000 1.877 534 A HA -0.193 4.127 4.320 0.001 0.000 0.216 534 A C 1.919 179.431 177.584 -0.120 0.000 1.186 534 A CA 1.662 53.600 52.037 -0.165 0.000 0.620 534 A CB -0.595 18.355 19.000 -0.082 0.000 0.822 534 A HN 0.627 nan 8.150 nan 0.000 0.443 535 E N -1.763 118.367 120.200 -0.117 0.000 2.153 535 E HA -0.224 4.126 4.350 0.001 0.000 0.194 535 E C 1.831 178.411 176.600 -0.033 0.000 0.988 535 E CA 1.469 57.825 56.400 -0.074 0.000 0.811 535 E CB -0.291 29.383 29.700 -0.044 0.000 0.746 535 E HN 0.825 nan 8.360 nan 0.000 0.466 536 Y N 1.360 121.556 120.300 -0.173 0.000 2.163 536 Y HA -0.166 4.385 4.550 0.001 0.000 0.288 536 Y C 1.973 177.857 175.900 -0.025 0.000 1.136 536 Y CA 1.271 59.302 58.100 -0.115 0.000 1.147 536 Y CB -0.157 38.154 38.460 -0.248 0.000 0.987 536 Y HN -0.074 nan 8.280 nan 0.000 0.509 537 L N -0.348 120.946 121.223 0.119 0.000 2.083 537 L HA -0.237 4.104 4.340 0.001 0.000 0.209 537 L C 2.312 179.244 176.870 0.103 0.000 1.083 537 L CA 1.448 56.380 54.840 0.153 0.000 0.752 537 L CB -0.514 41.599 42.059 0.089 0.000 0.899 537 L HN 0.310 nan 8.230 nan 0.000 0.433 538 I N -0.746 119.829 120.570 0.007 0.000 2.233 538 I HA -0.218 3.953 4.170 0.001 0.000 0.243 538 I C 2.709 178.789 176.117 -0.061 0.000 1.093 538 I CA 0.872 62.159 61.300 -0.021 0.000 1.380 538 I CB -0.319 37.650 38.000 -0.051 0.000 1.067 538 I HN 0.156 nan 8.210 nan 0.000 0.413 539 K N 1.034 121.375 120.400 -0.099 0.000 2.097 539 K HA -0.167 4.153 4.320 0.001 0.000 0.206 539 K C 1.618 178.118 176.600 -0.167 0.000 1.049 539 K CA 1.482 57.695 56.287 -0.123 0.000 0.933 539 K CB -0.025 32.402 32.500 -0.123 0.000 0.717 539 K HN 0.240 nan 8.250 nan 0.000 0.442 540 E N -0.632 119.422 120.200 -0.243 0.000 2.502 540 E HA 0.021 4.371 4.350 0.001 0.000 0.194 540 E C 0.898 177.354 176.600 -0.241 0.000 1.062 540 E CA 0.676 56.920 56.400 -0.260 0.000 0.867 540 E CB 0.135 29.609 29.700 -0.377 0.000 0.888 540 E HN 0.537 nan 8.360 nan 0.000 0.510 541 G N 0.845 109.555 108.800 -0.150 0.000 2.143 541 G HA2 -0.340 3.620 3.960 0.001 0.000 0.249 541 G HA3 -0.340 3.620 3.960 0.001 0.000 0.249 541 G C 0.666 175.484 174.900 -0.136 0.000 0.981 541 G CA 0.417 45.426 45.100 -0.152 0.000 0.665 541 G HN 0.329 nan 8.290 nan 0.000 0.528 542 Y N 0.022 120.322 120.300 0.001 0.000 2.395 542 Y HA 0.374 4.925 4.550 0.001 0.000 0.293 542 Y C 2.011 177.993 175.900 0.136 0.000 1.123 542 Y CA 1.920 60.062 58.100 0.069 0.000 1.227 542 Y CB 0.400 38.889 38.460 0.048 0.000 1.012 542 Y HN 0.417 nan 8.280 nan 0.000 0.552 543 T N -2.297 112.383 114.554 0.211 0.000 2.653 543 T HA 0.578 4.929 4.350 0.001 0.000 0.306 543 T C -1.330 173.407 174.700 0.061 0.000 1.426 543 T CA -0.677 61.511 62.100 0.147 0.000 1.008 543 T CB 1.004 69.985 68.868 0.190 0.000 1.692 543 T HN -0.144 nan 8.240 nan 0.000 0.483 544 S N 0.888 116.615 115.700 0.046 0.000 2.595 544 S HA 0.526 4.996 4.470 0.001 0.000 0.281 544 S C -2.163 172.444 174.600 0.012 0.000 1.117 544 S CA -0.998 57.207 58.200 0.007 0.000 0.873 544 S CB 1.988 65.183 63.200 -0.008 0.000 1.108 544 S HN 0.539 nan 8.310 nan 0.000 0.477 545 P HA -0.216 nan 4.420 nan 0.000 0.216 545 P C 1.234 178.542 177.300 0.012 0.000 1.157 545 P CA 1.516 64.588 63.100 -0.046 0.000 0.880 545 P CB -0.019 31.626 31.700 -0.091 0.000 0.791 546 K N -0.175 120.235 120.400 0.017 0.000 2.360 546 K HA -0.075 4.245 4.320 0.001 0.000 0.201 546 K C 1.478 178.123 176.600 0.074 0.000 1.046 546 K CA 1.165 57.477 56.287 0.042 0.000 0.945 546 K CB -0.285 32.231 32.500 0.028 0.000 0.750 546 K HN 0.132 nan 8.250 nan 0.000 0.464 547 R N 0.459 121.011 120.500 0.087 0.000 2.437 547 R HA 0.216 4.556 4.340 0.001 0.000 0.257 547 R C -0.360 176.053 176.300 0.188 0.000 0.927 547 R CA -0.450 55.730 56.100 0.133 0.000 1.078 547 R CB 0.272 30.643 30.300 0.117 0.000 1.161 547 R HN 0.065 nan 8.270 nan 0.000 0.529 548 L N 1.202 122.524 121.223 0.165 0.000 2.275 548 L HA 0.337 4.678 4.340 0.001 0.000 0.288 548 L C -0.706 176.287 176.870 0.205 0.000 1.046 548 L CA 0.383 55.340 54.840 0.195 0.000 0.805 548 L CB 1.772 43.930 42.059 0.165 0.000 1.193 548 L HN -0.133 nan 8.230 nan 0.000 0.426 549 T N 6.669 121.324 114.554 0.168 0.000 2.829 549 T HA 0.626 4.976 4.350 0.001 0.000 0.280 549 T C -0.279 174.349 174.700 -0.120 0.000 0.999 549 T CA -0.280 61.856 62.100 0.061 0.000 0.983 549 T CB 0.948 69.861 68.868 0.076 0.000 0.968 549 T HN 0.590 nan 8.240 nan 0.000 0.446 550 I N 1.199 121.661 120.570 -0.181 0.000 2.562 550 I HA 0.716 4.886 4.170 0.001 0.000 0.301 550 I C -0.446 175.483 176.117 -0.313 0.000 1.003 550 I CA -0.790 60.361 61.300 -0.247 0.000 1.127 550 I CB 1.970 39.831 38.000 -0.233 0.000 1.304 550 I HN 0.490 nan 8.210 nan 0.000 0.446 551 N N 2.927 121.429 118.700 -0.330 0.000 2.331 551 N HA 0.731 5.471 4.740 0.001 0.000 0.280 551 N C -1.328 174.054 175.510 -0.213 0.000 1.155 551 N CA -0.384 52.511 53.050 -0.259 0.000 0.822 551 N CB 2.804 41.068 38.487 -0.372 0.000 1.619 551 N HN 1.100 nan 8.380 nan 0.000 0.476 552 G N -0.008 108.688 108.800 -0.174 0.000 2.673 552 G HA2 0.608 4.568 3.960 0.001 0.000 0.292 552 G HA3 0.608 4.568 3.960 0.001 0.000 0.292 552 G C -1.506 173.350 174.900 -0.072 0.000 1.450 552 G CA -0.590 44.349 45.100 -0.268 0.000 0.837 552 G HN 0.590 nan 8.290 nan 0.000 0.505 553 G N -0.815 107.997 108.800 0.019 0.000 2.542 553 G HA2 0.687 4.648 3.960 0.001 0.000 0.311 553 G HA3 0.687 4.648 3.960 0.001 0.000 0.311 553 G C 0.268 175.203 174.900 0.058 0.000 1.298 553 G CA 0.955 46.074 45.100 0.032 0.000 0.973 553 G HN 1.920 nan 8.290 nan 0.000 0.487 554 S N 0.987 116.682 115.700 -0.008 0.000 4.140 554 S HA -0.378 4.093 4.470 0.001 0.000 0.618 554 S C 1.998 176.505 174.600 -0.155 0.000 1.896 554 S CA 2.013 60.221 58.200 0.014 0.000 4.240 554 S CB -1.465 61.853 63.200 0.197 0.000 0.208 554 S HN 1.404 nan 8.310 nan 0.000 0.487 555 N N 1.310 119.854 118.700 -0.259 0.000 2.364 555 N HA 0.034 4.774 4.740 0.001 0.000 0.183 555 N C 1.566 176.767 175.510 -0.516 0.000 1.022 555 N CA 2.319 55.109 53.050 -0.434 0.000 0.883 555 N CB -0.894 37.213 38.487 -0.633 0.000 0.965 555 N HN 0.616 nan 8.380 nan 0.000 0.438 556 G N -1.041 107.493 108.800 -0.443 0.000 2.448 556 G HA2 -0.056 3.904 3.960 0.001 0.000 0.218 556 G HA3 -0.056 3.904 3.960 0.001 0.000 0.218 556 G C 1.407 176.136 174.900 -0.285 0.000 1.135 556 G CA 0.498 45.386 45.100 -0.354 0.000 0.784 556 G HN 0.419 nan 8.290 nan 0.000 0.543 557 G N 1.046 109.727 108.800 -0.198 0.000 2.394 557 G HA2 -0.091 3.869 3.960 0.001 0.000 0.215 557 G HA3 -0.091 3.869 3.960 0.001 0.000 0.215 557 G C 1.711 176.485 174.900 -0.209 0.000 1.165 557 G CA 0.984 45.983 45.100 -0.169 0.000 0.784 557 G HN 0.415 nan 8.290 nan 0.000 0.535 558 L N 0.427 121.511 121.223 -0.232 0.000 2.012 558 L HA 0.026 4.366 4.340 0.001 0.000 0.210 558 L C 2.510 179.268 176.870 -0.186 0.000 1.073 558 L CA 1.816 56.519 54.840 -0.229 0.000 0.748 558 L CB -0.718 41.218 42.059 -0.205 0.000 0.891 558 L HN 0.185 nan 8.230 nan 0.000 0.431 559 L N -0.309 120.809 121.223 -0.175 0.000 1.971 559 L HA -0.185 4.155 4.340 0.001 0.000 0.215 559 L C 2.580 179.314 176.870 -0.227 0.000 1.072 559 L CA 2.569 57.321 54.840 -0.145 0.000 0.758 559 L CB -0.929 40.875 42.059 -0.425 0.000 0.889 559 L HN 0.356 nan 8.230 nan 0.000 0.433 560 V N -2.468 117.273 119.914 -0.289 0.000 2.548 560 V HA -0.038 4.083 4.120 0.001 0.000 0.249 560 V C 2.455 178.439 176.094 -0.182 0.000 1.055 560 V CA 1.344 63.498 62.300 -0.242 0.000 1.065 560 V CB -1.727 29.955 31.823 -0.236 0.000 0.681 560 V HN 0.483 nan 8.190 nan 0.000 0.462 561 A N 0.759 123.486 122.820 -0.155 0.000 1.898 561 A HA -0.114 4.206 4.320 0.001 0.000 0.216 561 A C 2.341 179.860 177.584 -0.109 0.000 1.181 561 A CA 2.433 54.431 52.037 -0.065 0.000 0.620 561 A CB -1.239 17.615 19.000 -0.242 0.000 0.819 561 A HN 0.542 nan 8.150 nan 0.000 0.442 562 T N -0.848 113.541 114.554 -0.274 0.000 2.777 562 T HA -0.163 4.187 4.350 0.001 0.000 0.266 562 T C 1.873 176.418 174.700 -0.259 0.000 1.040 562 T CA 1.557 63.419 62.100 -0.397 0.000 1.141 562 T CB -0.604 67.663 68.868 -1.003 0.000 0.868 562 T HN 0.563 nan 8.240 nan 0.000 0.444 563 C N 1.618 120.812 119.300 -0.177 0.000 2.422 563 C HA 0.115 4.575 4.460 0.001 0.000 0.279 563 C C 3.166 178.200 174.990 0.073 0.000 1.305 563 C CA 0.248 59.270 59.018 0.007 0.000 1.757 563 C CB -1.411 26.347 27.740 0.030 0.000 1.962 563 C HN 0.649 nan 8.230 nan 0.000 0.499 564 A N 1.277 124.068 122.820 -0.049 0.000 1.898 564 A HA -0.162 4.158 4.320 0.001 0.000 0.216 564 A C 1.952 179.416 177.584 -0.200 0.000 1.181 564 A CA 1.809 53.818 52.037 -0.047 0.000 0.620 564 A CB -0.512 18.486 19.000 -0.003 0.000 0.819 564 A HN 0.630 nan 8.150 nan 0.000 0.442 565 N N -0.158 118.503 118.700 -0.065 0.000 2.142 565 N HA -0.126 4.614 4.740 0.001 0.000 0.186 565 N C 1.933 177.420 175.510 -0.038 0.000 1.023 565 N CA 1.558 54.600 53.050 -0.015 0.000 0.852 565 N CB -0.415 38.143 38.487 0.119 0.000 0.998 565 N HN 0.664 nan 8.380 nan 0.000 0.424 566 Q N -0.296 119.493 119.800 -0.019 0.000 2.137 566 Q HA 0.100 4.440 4.340 0.001 0.000 0.198 566 Q C 0.114 176.124 176.000 0.017 0.000 0.960 566 Q CA 0.840 56.648 55.803 0.009 0.000 0.847 566 Q CB 0.409 29.155 28.738 0.012 0.000 0.915 566 Q HN 0.060 nan 8.270 nan 0.000 0.448 567 R N 0.320 120.850 120.500 0.050 0.000 2.674 567 R HA 0.182 4.522 4.340 0.001 0.000 0.270 567 R C -2.199 174.084 176.300 -0.029 0.000 1.492 567 R CA -1.521 54.579 56.100 0.001 0.000 1.624 567 R CB 0.694 30.988 30.300 -0.011 0.000 1.307 567 R HN 0.133 nan 8.270 nan 0.000 0.683 568 P HA -0.168 nan 4.420 nan 0.000 0.222 568 P C 0.599 177.842 177.300 -0.096 0.000 1.147 568 P CA 1.171 64.183 63.100 -0.145 0.000 0.790 568 P CB 0.287 31.771 31.700 -0.360 0.000 0.780 569 D N -0.631 119.691 120.400 -0.130 0.000 2.348 569 D HA -0.099 4.541 4.640 0.001 0.000 0.216 569 D C 1.707 177.862 176.300 -0.242 0.000 0.970 569 D CA 0.353 54.272 54.000 -0.135 0.000 0.889 569 D CB -0.562 40.174 40.800 -0.107 0.000 0.912 569 D HN 0.138 nan 8.370 nan 0.000 0.524 570 L N -0.737 120.197 121.223 -0.482 0.000 2.477 570 L HA 0.263 4.603 4.340 0.001 0.000 0.220 570 L C -0.385 175.933 176.870 -0.918 0.000 1.106 570 L CA 0.418 54.770 54.840 -0.813 0.000 0.851 570 L CB -0.024 41.297 42.059 -1.230 0.000 0.994 570 L HN -0.175 nan 8.230 nan 0.000 0.462 571 F N -2.439 117.492 119.950 -0.031 0.000 2.563 571 F HA 0.583 5.110 4.527 0.001 0.000 0.316 571 F C 1.246 177.051 175.800 0.008 0.000 1.076 571 F CA -0.678 57.314 58.000 -0.013 0.000 0.921 571 F CB 1.191 40.183 39.000 -0.013 0.000 1.209 571 F HN -0.283 nan 8.300 nan 0.000 0.462 572 G N -0.490 108.438 108.800 0.213 0.000 2.608 572 G HA2 0.151 4.112 3.960 0.001 0.000 0.210 572 G HA3 0.151 4.112 3.960 0.001 0.000 0.210 572 G C -0.440 174.550 174.900 0.151 0.000 1.139 572 G CA 0.342 45.528 45.100 0.144 0.000 0.812 572 G HN 0.646 nan 8.290 nan 0.000 0.529 573 C N -0.039 119.367 119.300 0.175 0.000 2.880 573 C HA 0.722 5.183 4.460 0.001 0.000 0.320 573 C C -1.355 173.714 174.990 0.132 0.000 1.176 573 C CA -0.624 58.495 59.018 0.169 0.000 1.390 573 C CB 1.189 29.017 27.740 0.147 0.000 1.846 573 C HN 0.092 nan 8.230 nan 0.000 0.478 574 V N 6.314 126.319 119.914 0.152 0.000 2.525 574 V HA 0.522 4.643 4.120 0.001 0.000 0.299 574 V C -0.535 175.587 176.094 0.046 0.000 1.034 574 V CA -0.245 62.072 62.300 0.028 0.000 0.863 574 V CB 1.691 33.511 31.823 -0.006 0.000 0.999 574 V HN 0.739 nan 8.190 nan 0.000 0.423 575 I N 4.238 124.788 120.570 -0.034 0.000 2.390 575 I HA 0.675 4.845 4.170 0.001 0.000 0.283 575 I C 0.266 176.340 176.117 -0.072 0.000 1.016 575 I CA -0.502 60.761 61.300 -0.061 0.000 1.151 575 I CB 1.725 39.689 38.000 -0.059 0.000 1.293 575 I HN 0.677 nan 8.210 nan 0.000 0.458 576 A N 6.725 129.512 122.820 -0.056 0.000 2.256 576 A HA 0.578 4.898 4.320 0.001 0.000 0.317 576 A C -0.413 177.150 177.584 -0.036 0.000 1.318 576 A CA -0.474 51.534 52.037 -0.049 0.000 0.894 576 A CB 0.515 19.508 19.000 -0.012 0.000 1.165 576 A HN 0.713 nan 8.150 nan 0.000 0.525 577 Q N 1.376 121.155 119.800 -0.036 0.000 2.257 577 Q HA 0.433 4.774 4.340 0.001 0.000 0.255 577 Q C 0.521 176.500 176.000 -0.035 0.000 0.920 577 Q CA -0.405 55.381 55.803 -0.027 0.000 0.927 577 Q CB 2.087 30.814 28.738 -0.018 0.000 1.229 577 Q HN 1.473 nan 8.270 nan 0.000 0.433 578 V N -0.086 119.822 119.914 -0.010 0.000 5.404 578 V HA -0.242 3.879 4.120 0.001 0.000 0.249 578 V C 0.252 176.367 176.094 0.037 0.000 0.682 578 V CA 0.891 63.212 62.300 0.036 0.000 0.608 578 V CB -2.295 29.522 31.823 -0.009 0.000 0.311 578 V HN 0.827 nan 8.190 nan 0.000 0.680 579 G N 0.138 108.927 108.800 -0.017 0.000 2.448 579 G HA2 0.569 4.530 3.960 0.001 0.000 0.285 579 G HA3 0.569 4.530 3.960 0.001 0.000 0.285 579 G C -0.297 174.489 174.900 -0.191 0.000 1.176 579 G CA -0.305 44.733 45.100 -0.104 0.000 0.852 579 G HN 1.174 nan 8.290 nan 0.000 0.530 580 V N 3.548 123.271 119.914 -0.318 0.000 2.389 580 V HA 0.110 4.230 4.120 0.001 0.000 0.264 580 V C 0.606 176.491 176.094 -0.349 0.000 1.049 580 V CA -0.252 61.733 62.300 -0.525 0.000 0.932 580 V CB 1.140 32.676 31.823 -0.478 0.000 1.011 580 V HN 0.707 nan 8.190 nan 0.000 0.475 581 M N 1.322 120.818 119.600 -0.174 0.000 2.638 581 M HA 0.265 4.745 4.480 0.001 0.000 0.256 581 M C 0.623 176.932 176.300 0.016 0.000 1.282 581 M CA 0.401 55.596 55.300 -0.175 0.000 1.155 581 M CB -0.195 32.237 32.600 -0.279 0.000 1.345 581 M HN 0.570 nan 8.290 nan 0.000 0.523 582 D N 1.692 122.331 120.400 0.397 0.000 2.456 582 D HA 0.208 4.849 4.640 0.001 0.000 0.219 582 D C 0.735 177.313 176.300 0.463 0.000 1.126 582 D CA -0.010 54.201 54.000 0.351 0.000 0.890 582 D CB 0.838 41.800 40.800 0.270 0.000 1.025 582 D HN -0.042 nan 8.370 nan 0.000 0.511 583 M N 3.045 122.829 119.600 0.306 0.000 2.619 583 M HA 0.021 4.502 4.480 0.001 0.000 0.251 583 M C 1.530 178.088 176.300 0.431 0.000 1.106 583 M CA 0.453 55.958 55.300 0.341 0.000 1.086 583 M CB -0.188 32.383 32.600 -0.048 0.000 1.465 583 M HN 0.462 nan 8.290 nan 0.000 0.506 584 L N -0.748 120.641 121.223 0.277 0.000 2.375 584 L HA -0.053 4.287 4.340 0.001 0.000 0.215 584 L C 1.606 178.648 176.870 0.287 0.000 1.108 584 L CA 0.723 55.664 54.840 0.168 0.000 0.830 584 L CB -0.120 41.848 42.059 -0.152 0.000 0.959 584 L HN 0.261 nan 8.230 nan 0.000 0.457 585 K N -0.531 120.025 120.400 0.261 0.000 2.438 585 K HA 0.105 4.425 4.320 0.001 0.000 0.206 585 K C 1.558 178.095 176.600 -0.105 0.000 1.081 585 K CA -0.066 56.230 56.287 0.014 0.000 1.053 585 K CB 0.425 32.996 32.500 0.119 0.000 0.908 585 K HN 0.094 nan 8.250 nan 0.000 0.556 586 F N 2.083 122.231 119.950 0.329 0.000 2.192 586 F HA -0.248 4.280 4.527 0.001 0.000 0.301 586 F C 2.125 178.014 175.800 0.147 0.000 1.079 586 F CA 1.407 59.687 58.000 0.466 0.000 1.303 586 F CB -0.939 38.426 39.000 0.608 0.000 1.024 586 F HN 0.135 nan 8.300 nan 0.000 0.494 587 H N 0.565 119.112 119.070 -0.871 0.000 2.546 587 H HA 0.081 4.637 4.556 0.001 0.000 0.277 587 H C 1.158 176.267 175.328 -0.365 0.000 1.004 587 H CA 1.115 56.816 56.048 -0.579 0.000 1.231 587 H CB -0.660 28.712 29.762 -0.651 0.000 1.382 587 H HN 0.428 nan 8.280 nan 0.000 0.580 588 K N 0.204 119.979 120.400 -1.042 0.000 2.365 588 K HA 0.043 4.363 4.320 0.001 0.000 0.197 588 K C -0.391 175.745 176.600 -0.774 0.000 1.042 588 K CA 0.341 56.042 56.287 -0.978 0.000 0.987 588 K CB 0.237 31.943 32.500 -1.323 0.000 0.779 588 K HN 0.225 nan 8.250 nan 0.000 0.484 589 Y N 0.683 120.910 120.300 -0.123 0.000 2.446 589 Y HA 0.064 4.614 4.550 0.001 0.000 0.338 589 Y C 1.514 177.365 175.900 -0.081 0.000 1.055 589 Y CA -1.044 57.020 58.100 -0.060 0.000 1.101 589 Y CB 1.042 39.496 38.460 -0.011 0.000 1.221 589 Y HN 0.169 nan 8.280 nan 0.000 0.460 590 T N -0.365 114.257 114.554 0.114 0.000 8.188 590 T HA -0.408 3.943 4.350 0.001 0.000 0.253 590 T C 0.883 175.523 174.700 -0.100 0.000 1.618 590 T CA 1.971 64.082 62.100 0.018 0.000 1.500 590 T CB -1.134 67.756 68.868 0.037 0.000 1.763 590 T HN 0.620 nan 8.240 nan 0.000 0.450 591 I N 2.522 122.961 120.570 -0.218 0.000 3.904 591 I HA 0.501 4.672 4.170 0.001 0.000 0.333 591 I C 2.171 177.679 176.117 -1.014 0.000 1.361 591 I CA 0.480 61.454 61.300 -0.543 0.000 1.116 591 I CB -0.577 37.179 38.000 -0.407 0.000 1.028 591 I HN 0.744 nan 8.210 nan 0.000 0.398 592 G N 0.343 108.561 108.800 -0.971 0.000 2.462 592 G HA2 -0.342 3.618 3.960 0.001 0.000 0.220 592 G HA3 -0.342 3.618 3.960 0.001 0.000 0.220 592 G C 1.418 175.897 174.900 -0.702 0.000 1.121 592 G CA 1.302 45.551 45.100 -1.417 0.000 0.758 592 G HN 0.704 nan 8.290 nan 0.000 0.559 593 H N -0.293 118.576 119.070 -0.334 0.000 2.489 593 H HA 0.291 4.848 4.556 0.001 0.000 0.295 593 H C 2.325 177.612 175.328 -0.068 0.000 1.082 593 H CA 1.080 57.059 56.048 -0.114 0.000 1.295 593 H CB -0.542 29.171 29.762 -0.082 0.000 1.380 593 H HN 0.272 nan 8.280 nan 0.000 0.548 594 A N 0.666 123.228 122.820 -0.430 0.000 2.119 594 A HA -0.048 4.272 4.320 0.001 0.000 0.217 594 A C 1.166 178.843 177.584 0.156 0.000 1.153 594 A CA 0.785 52.739 52.037 -0.137 0.000 0.692 594 A CB -0.727 18.096 19.000 -0.296 0.000 0.799 594 A HN 0.590 nan 8.150 nan 0.000 0.458 595 W N 0.747 122.192 121.300 0.242 0.000 3.180 595 W HA 0.055 4.715 4.660 0.001 0.000 0.254 595 W C 2.009 178.666 176.519 0.231 0.000 1.318 595 W CA 0.900 58.403 57.345 0.263 0.000 1.608 595 W CB -1.719 27.881 29.460 0.234 0.000 1.124 595 W HN 0.529 nan 8.180 nan 0.000 0.694 596 T N -2.232 112.650 114.554 0.547 0.000 2.977 596 T HA -0.192 4.158 4.350 0.001 0.000 0.271 596 T C 1.711 176.557 174.700 0.243 0.000 1.105 596 T CA 1.930 64.323 62.100 0.487 0.000 1.116 596 T CB -0.727 68.367 68.868 0.377 0.000 0.878 596 T HN 0.152 nan 8.240 nan 0.000 0.509 597 T N -1.066 113.573 114.554 0.143 0.000 2.995 597 T HA -0.016 4.334 4.350 0.001 0.000 0.269 597 T C 1.395 176.030 174.700 -0.110 0.000 1.091 597 T CA 1.219 63.338 62.100 0.032 0.000 1.128 597 T CB -0.314 68.571 68.868 0.029 0.000 0.891 597 T HN 0.322 nan 8.240 nan 0.000 0.492 598 D N -0.313 119.925 120.400 -0.270 0.000 2.323 598 D HA 0.168 4.808 4.640 0.001 0.000 0.218 598 D C 1.138 177.228 176.300 -0.350 0.000 0.973 598 D CA 0.491 54.141 54.000 -0.583 0.000 0.890 598 D CB 0.115 40.054 40.800 -1.434 0.000 1.011 598 D HN 0.433 nan 8.370 nan 0.000 0.499 599 Y N -0.145 120.149 120.300 -0.009 0.000 2.524 599 Y HA 0.430 4.981 4.550 0.001 0.000 0.270 599 Y C 1.489 177.550 175.900 0.270 0.000 1.094 599 Y CA 0.367 58.533 58.100 0.110 0.000 1.276 599 Y CB 0.095 38.593 38.460 0.063 0.000 1.130 599 Y HN -0.047 nan 8.280 nan 0.000 0.536 600 G N -0.419 108.625 108.800 0.407 0.000 2.631 600 G HA2 -0.127 3.834 3.960 0.001 0.000 0.504 600 G HA3 -0.127 3.834 3.960 0.001 0.000 0.504 600 G C -1.229 173.983 174.900 0.519 0.000 1.306 600 G CA -1.005 44.244 45.100 0.248 0.000 0.897 600 G HN 0.432 nan 8.290 nan 0.000 0.520 601 C N 0.053 119.664 119.300 0.518 0.000 2.609 601 C HA 0.756 5.216 4.460 0.001 0.000 0.313 601 C C 1.995 177.056 174.990 0.118 0.000 1.175 601 C CA 0.691 59.811 59.018 0.169 0.000 1.434 601 C CB 0.920 28.625 27.740 -0.059 0.000 2.005 601 C HN 2.039 nan 8.230 nan 0.000 0.471 602 S N 1.879 117.621 115.700 0.070 0.000 2.500 602 S HA -0.137 4.333 4.470 0.001 0.000 0.239 602 S C 0.890 175.678 174.600 0.313 0.000 0.989 602 S CA 1.639 60.004 58.200 0.275 0.000 0.951 602 S CB -0.283 63.152 63.200 0.393 0.000 0.759 602 S HN 0.868 nan 8.310 nan 0.000 0.523 603 D N 1.864 122.308 120.400 0.073 0.000 2.264 603 D HA 0.025 4.666 4.640 0.001 0.000 0.208 603 D C 0.906 177.276 176.300 0.118 0.000 0.966 603 D CA 0.813 54.858 54.000 0.075 0.000 0.864 603 D CB -0.227 40.536 40.800 -0.062 0.000 0.933 603 D HN 0.515 nan 8.370 nan 0.000 0.499 604 S N 0.168 115.826 115.700 -0.071 0.000 2.499 604 S HA 0.126 4.597 4.470 0.001 0.000 0.279 604 S C 1.035 175.340 174.600 -0.491 0.000 1.219 604 S CA -0.717 57.284 58.200 -0.331 0.000 1.062 604 S CB 1.835 64.582 63.200 -0.755 0.000 0.978 604 S HN -0.039 nan 8.310 nan 0.000 0.489 605 K N 3.182 123.134 120.400 -0.746 0.000 2.057 605 K HA -0.179 4.142 4.320 0.001 0.000 0.207 605 K C 2.075 178.412 176.600 -0.438 0.000 1.049 605 K CA 1.632 57.378 56.287 -0.903 0.000 0.931 605 K CB -0.270 31.879 32.500 -0.584 0.000 0.714 605 K HN 0.865 nan 8.250 nan 0.000 0.440 606 Q N -0.094 119.452 119.800 -0.424 0.000 2.061 606 Q HA -0.216 4.125 4.340 0.001 0.000 0.204 606 Q C 1.805 177.292 176.000 -0.856 0.000 0.984 606 Q CA 1.814 57.342 55.803 -0.458 0.000 0.846 606 Q CB -0.117 28.422 28.738 -0.332 0.000 0.902 606 Q HN 0.623 nan 8.270 nan 0.000 0.421 607 H N -1.239 117.246 119.070 -0.975 0.000 2.357 607 H HA -0.130 4.426 4.556 0.001 0.000 0.301 607 H C 1.953 177.007 175.328 -0.457 0.000 1.082 607 H CA 0.843 56.264 56.048 -1.044 0.000 1.342 607 H CB -0.153 29.331 29.762 -0.462 0.000 1.389 607 H HN 0.312 nan 8.280 nan 0.000 0.511 608 F N 2.599 122.413 119.950 -0.227 0.000 2.120 608 F HA -0.220 4.308 4.527 0.001 0.000 0.300 608 F C 2.167 177.902 175.800 -0.108 0.000 1.095 608 F CA 1.280 59.218 58.000 -0.103 0.000 1.249 608 F CB -0.021 38.984 39.000 0.008 0.000 0.995 608 F HN 0.016 nan 8.300 nan 0.000 0.480 609 E N -0.189 119.891 120.200 -0.200 0.000 2.204 609 E HA -0.211 4.139 4.350 0.001 0.000 0.195 609 E C 2.125 178.685 176.600 -0.067 0.000 0.990 609 E CA 1.237 57.534 56.400 -0.172 0.000 0.821 609 E CB -0.661 29.009 29.700 -0.050 0.000 0.750 609 E HN 0.572 nan 8.360 nan 0.000 0.477 610 W N 0.752 122.011 121.300 -0.069 0.000 2.444 610 W HA 0.062 4.723 4.660 0.001 0.000 0.308 610 W C 2.294 178.743 176.519 -0.116 0.000 1.183 610 W CA 0.094 57.438 57.345 -0.001 0.000 1.340 610 W CB -1.318 28.192 29.460 0.083 0.000 1.138 610 W HN 0.038 nan 8.180 nan 0.000 0.510 611 L N -0.028 121.179 121.223 -0.026 0.000 2.012 611 L HA -0.232 4.108 4.340 0.001 0.000 0.210 611 L C 2.405 178.903 176.870 -0.621 0.000 1.073 611 L CA 1.127 55.694 54.840 -0.456 0.000 0.748 611 L CB -1.104 40.810 42.059 -0.242 0.000 0.891 611 L HN -0.151 nan 8.230 nan 0.000 0.431 612 I N -0.056 120.126 120.570 -0.647 0.000 2.454 612 I HA -0.257 3.913 4.170 0.001 0.000 0.254 612 I C 2.292 178.242 176.117 -0.277 0.000 1.156 612 I CA 1.557 62.508 61.300 -0.581 0.000 1.433 612 I CB -0.322 37.155 38.000 -0.872 0.000 1.082 612 I HN 0.122 nan 8.210 nan 0.000 0.432 613 K N -0.780 119.508 120.400 -0.188 0.000 2.217 613 K HA -0.127 4.194 4.320 0.001 0.000 0.202 613 K C 1.319 177.956 176.600 0.061 0.000 1.051 613 K CA 1.647 57.925 56.287 -0.015 0.000 0.952 613 K CB -0.080 32.471 32.500 0.085 0.000 0.736 613 K HN 0.628 nan 8.250 nan 0.000 0.453 614 Y N -2.607 117.673 120.300 -0.032 0.000 2.448 614 Y HA 0.320 4.871 4.550 0.001 0.000 0.257 614 Y C 0.454 176.263 175.900 -0.151 0.000 1.089 614 Y CA -0.817 57.213 58.100 -0.117 0.000 1.245 614 Y CB -0.064 38.337 38.460 -0.098 0.000 1.282 614 Y HN -0.259 nan 8.280 nan 0.000 0.529 615 S N 4.005 119.495 115.700 -0.349 0.000 2.737 615 S HA 0.022 4.492 4.470 0.001 0.000 0.315 615 S C -1.423 173.130 174.600 -0.078 0.000 1.236 615 S CA -0.664 57.426 58.200 -0.182 0.000 1.093 615 S CB 0.509 63.710 63.200 0.001 0.000 0.832 615 S HN 0.240 nan 8.310 nan 0.000 0.507 616 P HA -0.134 nan 4.420 nan 0.000 0.216 616 P C 1.529 178.742 177.300 -0.145 0.000 1.153 616 P CA 0.567 63.489 63.100 -0.297 0.000 0.858 616 P CB 0.052 31.272 31.700 -0.801 0.000 0.789 617 L N -1.320 119.764 121.223 -0.233 0.000 2.265 617 L HA -0.145 4.196 4.340 0.001 0.000 0.215 617 L C 1.247 177.902 176.870 -0.359 0.000 1.117 617 L CA 2.026 56.751 54.840 -0.192 0.000 0.782 617 L CB -1.147 40.688 42.059 -0.374 0.000 0.914 617 L HN 0.102 nan 8.230 nan 0.000 0.441 618 H N -1.906 117.197 119.070 0.055 0.000 2.594 618 H HA 0.334 4.891 4.556 0.001 0.000 0.279 618 H C 0.515 175.881 175.328 0.063 0.000 1.042 618 H CA 0.091 56.167 56.048 0.048 0.000 1.177 618 H CB 0.077 29.833 29.762 -0.010 0.000 1.524 618 H HN 0.269 nan 8.280 nan 0.000 0.537 619 N N 0.582 119.364 118.700 0.137 0.000 2.305 619 N HA 0.087 4.827 4.740 0.001 0.000 0.248 619 N C -0.783 174.838 175.510 0.185 0.000 1.290 619 N CA 0.120 53.253 53.050 0.139 0.000 0.873 619 N CB 1.916 40.460 38.487 0.095 0.000 1.261 619 N HN -0.011 nan 8.380 nan 0.000 0.504 620 V N 1.689 121.716 119.914 0.189 0.000 2.470 620 V HA 0.186 4.306 4.120 0.001 0.000 0.276 620 V C 0.373 176.540 176.094 0.121 0.000 1.040 620 V CA 0.249 62.656 62.300 0.179 0.000 1.008 620 V CB 0.739 32.604 31.823 0.070 0.000 0.990 620 V HN 0.108 nan 8.190 nan 0.000 0.477 621 K N 4.923 125.425 120.400 0.170 0.000 2.543 621 K HA 0.479 4.799 4.320 0.001 0.000 0.255 621 K C -1.053 175.642 176.600 0.158 0.000 0.934 621 K CA -0.867 55.496 56.287 0.125 0.000 0.810 621 K CB 1.723 34.305 32.500 0.137 0.000 1.315 621 K HN 0.530 nan 8.250 nan 0.000 0.433 622 L N 4.938 126.201 121.223 0.065 0.000 2.540 622 L HA 0.119 4.460 4.340 0.001 0.000 0.276 622 L C -1.966 174.987 176.870 0.138 0.000 1.212 622 L CA -1.457 53.429 54.840 0.078 0.000 0.893 622 L CB 0.169 42.241 42.059 0.020 0.000 1.138 622 L HN 0.505 nan 8.230 nan 0.000 0.491 623 P HA 0.025 nan 4.420 nan 0.000 0.268 623 P C 0.169 177.517 177.300 0.079 0.000 1.205 623 P CA -0.103 63.075 63.100 0.130 0.000 0.771 623 P CB 0.643 32.418 31.700 0.125 0.000 0.858 624 E N 1.687 121.922 120.200 0.059 0.000 2.072 624 E HA -0.072 4.278 4.350 0.001 0.000 0.191 624 E C 0.644 177.264 176.600 0.033 0.000 0.985 624 E CA 0.595 57.020 56.400 0.042 0.000 0.801 624 E CB -0.129 29.592 29.700 0.035 0.000 0.750 624 E HN 0.537 nan 8.360 nan 0.000 0.452 625 A N 1.711 124.549 122.820 0.030 0.000 2.477 625 A HA -0.028 4.292 4.320 0.001 0.000 0.246 625 A C 0.247 177.846 177.584 0.025 0.000 1.078 625 A CA -0.237 51.813 52.037 0.022 0.000 0.770 625 A CB 0.316 19.326 19.000 0.016 0.000 1.011 625 A HN -0.008 nan 8.150 nan 0.000 0.494 626 D N 0.925 121.336 120.400 0.019 0.000 2.218 626 D HA -0.128 4.512 4.640 0.001 0.000 0.204 626 D C 1.158 177.470 176.300 0.019 0.000 0.976 626 D CA 1.781 55.792 54.000 0.018 0.000 0.853 626 D CB 0.018 40.826 40.800 0.013 0.000 0.939 626 D HN 0.772 nan 8.370 nan 0.000 0.481 627 D N -0.150 120.260 120.400 0.016 0.000 2.340 627 D HA -0.048 4.593 4.640 0.001 0.000 0.220 627 D C 0.452 176.764 176.300 0.019 0.000 1.039 627 D CA -0.020 53.989 54.000 0.014 0.000 0.866 627 D CB 0.028 40.833 40.800 0.007 0.000 0.913 627 D HN 0.211 nan 8.370 nan 0.000 0.523 628 I N 1.332 121.918 120.570 0.027 0.000 2.378 628 I HA 0.241 4.411 4.170 0.001 0.000 0.291 628 I C 0.057 176.216 176.117 0.069 0.000 0.992 628 I CA -0.841 60.480 61.300 0.035 0.000 1.154 628 I CB 1.683 39.697 38.000 0.024 0.000 1.315 628 I HN -0.029 nan 8.210 nan 0.000 0.448 629 Q N 4.580 124.432 119.800 0.086 0.000 2.633 629 Q HA 0.500 4.840 4.340 0.001 0.000 0.292 629 Q C -1.491 174.636 176.000 0.211 0.000 1.089 629 Q CA -0.938 54.953 55.803 0.147 0.000 0.811 629 Q CB 1.600 30.404 28.738 0.111 0.000 1.472 629 Q HN 0.359 nan 8.270 nan 0.000 0.464 630 Y N 1.438 121.763 120.300 0.041 0.000 2.326 630 Y HA 0.270 4.820 4.550 0.001 0.000 0.333 630 Y C -1.930 174.017 175.900 0.077 0.000 1.240 630 Y CA -1.811 56.325 58.100 0.059 0.000 1.365 630 Y CB 0.445 38.928 38.460 0.038 0.000 1.289 630 Y HN 0.528 nan 8.280 nan 0.000 0.548 631 P HA 0.042 nan 4.420 nan 0.000 0.273 631 P C -0.704 176.716 177.300 0.201 0.000 1.250 631 P CA -0.313 62.889 63.100 0.169 0.000 0.793 631 P CB 0.644 32.453 31.700 0.182 0.000 1.011 632 S N 0.694 116.500 115.700 0.176 0.000 2.549 632 S HA 0.252 4.723 4.470 0.001 0.000 0.283 632 S C 0.423 175.236 174.600 0.354 0.000 1.320 632 S CA 0.140 58.471 58.200 0.218 0.000 1.058 632 S CB -0.488 62.739 63.200 0.045 0.000 0.882 632 S HN 0.325 nan 8.310 nan 0.000 0.498 633 M N 3.180 123.013 119.600 0.387 0.000 2.393 633 M HA 0.504 4.984 4.480 0.001 0.000 0.299 633 M C -1.423 174.878 176.300 0.002 0.000 1.103 633 M CA -0.734 54.703 55.300 0.229 0.000 0.910 633 M CB 1.964 34.633 32.600 0.114 0.000 1.659 633 M HN 0.435 nan 8.290 nan 0.000 0.445 634 L N 4.540 125.604 121.223 -0.264 0.000 2.404 634 L HA 0.645 4.986 4.340 0.001 0.000 0.272 634 L C -1.853 174.862 176.870 -0.259 0.000 0.980 634 L CA -0.251 54.243 54.840 -0.578 0.000 0.836 634 L CB 1.473 42.769 42.059 -1.271 0.000 1.238 634 L HN 0.671 nan 8.230 nan 0.000 0.408 635 L N 5.997 127.122 121.223 -0.164 0.000 2.295 635 L HA 0.553 4.894 4.340 0.001 0.000 0.285 635 L C -0.808 176.032 176.870 -0.051 0.000 1.035 635 L CA -0.644 54.163 54.840 -0.055 0.000 0.806 635 L CB 1.554 43.625 42.059 0.020 0.000 1.214 635 L HN 0.522 nan 8.230 nan 0.000 0.426 636 L N 2.819 124.029 121.223 -0.023 0.000 2.349 636 L HA 0.657 4.998 4.340 0.001 0.000 0.278 636 L C -0.117 176.771 176.870 0.031 0.000 0.996 636 L CA -0.074 54.773 54.840 0.012 0.000 0.825 636 L CB 2.061 44.119 42.059 -0.001 0.000 1.243 636 L HN 0.622 nan 8.230 nan 0.000 0.412 637 T N 1.728 116.308 114.554 0.044 0.000 2.681 637 T HA 0.897 5.248 4.350 0.001 0.000 0.296 637 T C -1.766 172.966 174.700 0.053 0.000 1.157 637 T CA -0.223 61.910 62.100 0.055 0.000 1.025 637 T CB 2.106 71.012 68.868 0.064 0.000 1.441 637 T HN 0.704 nan 8.240 nan 0.000 0.504 638 A N 0.783 123.647 122.820 0.073 0.000 2.572 638 A HA 0.610 4.931 4.320 0.001 0.000 0.295 638 A C 0.227 177.867 177.584 0.093 0.000 1.072 638 A CA -0.114 51.972 52.037 0.081 0.000 0.691 638 A CB 1.364 20.431 19.000 0.112 0.000 1.291 638 A HN 0.871 nan 8.150 nan 0.000 0.404 639 D N -0.334 120.125 120.400 0.097 0.000 2.350 639 D HA -0.095 4.546 4.640 0.001 0.000 0.216 639 D C 0.526 176.809 176.300 -0.027 0.000 0.968 639 D CA 1.651 55.676 54.000 0.041 0.000 0.894 639 D CB -0.262 40.548 40.800 0.016 0.000 0.909 639 D HN 0.624 nan 8.370 nan 0.000 0.520 640 H N -0.731 118.380 119.070 0.069 0.000 2.528 640 H HA 0.208 4.765 4.556 0.001 0.000 0.282 640 H C -0.504 174.885 175.328 0.102 0.000 1.097 640 H CA -0.544 55.556 56.048 0.086 0.000 1.121 640 H CB 0.182 29.995 29.762 0.086 0.000 1.590 640 H HN -0.020 nan 8.280 nan 0.000 0.553 641 D N 1.667 122.178 120.400 0.185 0.000 2.455 641 D HA -0.049 4.592 4.640 0.001 0.000 0.234 641 D C 0.300 176.691 176.300 0.151 0.000 1.224 641 D CA -0.069 54.047 54.000 0.193 0.000 0.999 641 D CB 0.198 41.130 40.800 0.221 0.000 1.072 641 D HN 0.422 nan 8.370 nan 0.000 0.514 642 D N 1.968 122.446 120.400 0.130 0.000 2.340 642 D HA -0.061 4.579 4.640 0.001 0.000 0.220 642 D C 1.556 177.909 176.300 0.088 0.000 1.039 642 D CA -0.066 53.989 54.000 0.093 0.000 0.866 642 D CB 0.214 41.051 40.800 0.062 0.000 0.913 642 D HN 0.195 nan 8.370 nan 0.000 0.523 643 R N 0.551 121.090 120.500 0.064 0.000 2.052 643 R HA 0.152 4.492 4.340 0.001 0.000 0.224 643 R C 0.057 176.458 176.300 0.169 0.000 1.149 643 R CA 0.867 56.972 56.100 0.008 0.000 0.962 643 R CB -0.148 29.897 30.300 -0.426 0.000 0.856 643 R HN 0.028 nan 8.270 nan 0.000 0.433 644 V N 3.447 123.421 119.914 0.099 0.000 2.284 644 V HA 0.254 4.375 4.120 0.001 0.000 0.274 644 V C -0.511 175.761 176.094 0.297 0.000 1.023 644 V CA -1.030 61.442 62.300 0.287 0.000 0.808 644 V CB 1.064 32.973 31.823 0.143 0.000 1.035 644 V HN 0.255 nan 8.190 nan 0.000 0.445 645 V N 4.645 124.751 119.914 0.319 0.000 2.644 645 V HA 0.103 4.223 4.120 0.001 0.000 0.305 645 V C -0.548 175.633 176.094 0.146 0.000 1.053 645 V CA -0.545 61.846 62.300 0.151 0.000 1.186 645 V CB 0.129 31.936 31.823 -0.027 0.000 0.895 645 V HN 0.645 nan 8.190 nan 0.000 0.490 646 P HA -0.187 nan 4.420 nan 0.000 0.221 646 P C 1.530 178.825 177.300 -0.009 0.000 1.145 646 P CA 1.561 64.693 63.100 0.052 0.000 0.795 646 P CB -0.037 31.681 31.700 0.029 0.000 0.775 647 L N -2.774 118.373 121.223 -0.128 0.000 2.189 647 L HA -0.162 4.178 4.340 0.001 0.000 0.214 647 L C 2.502 179.261 176.870 -0.186 0.000 1.097 647 L CA 1.877 56.574 54.840 -0.238 0.000 0.764 647 L CB -2.331 39.487 42.059 -0.401 0.000 0.900 647 L HN -0.037 nan 8.230 nan 0.000 0.436 648 H N 0.407 119.446 119.070 -0.052 0.000 2.290 648 H HA -0.087 4.469 4.556 0.001 0.000 0.298 648 H C 2.402 177.742 175.328 0.020 0.000 1.087 648 H CA 1.977 58.026 56.048 0.001 0.000 1.291 648 H CB -0.180 29.606 29.762 0.041 0.000 1.369 648 H HN 0.490 nan 8.280 nan 0.000 0.492 649 S N 0.566 116.368 115.700 0.169 0.000 2.406 649 S HA -0.033 4.438 4.470 0.001 0.000 0.228 649 S C 2.508 177.172 174.600 0.107 0.000 1.020 649 S CA 0.367 58.662 58.200 0.158 0.000 0.965 649 S CB -0.109 63.162 63.200 0.119 0.000 0.798 649 S HN 0.226 nan 8.310 nan 0.000 0.488 650 L N 1.247 122.483 121.223 0.021 0.000 2.017 650 L HA -0.124 4.216 4.340 0.001 0.000 0.208 650 L C 2.416 179.153 176.870 -0.223 0.000 1.073 650 L CA 1.295 56.102 54.840 -0.055 0.000 0.745 650 L CB -0.574 41.342 42.059 -0.240 0.000 0.894 650 L HN 0.245 nan 8.230 nan 0.000 0.432 651 K N -0.589 119.678 120.400 -0.222 0.000 2.097 651 K HA -0.169 4.152 4.320 0.001 0.000 0.205 651 K C 2.127 178.696 176.600 -0.052 0.000 1.050 651 K CA 1.240 57.401 56.287 -0.210 0.000 0.938 651 K CB -0.248 32.172 32.500 -0.134 0.000 0.718 651 K HN 0.086 nan 8.250 nan 0.000 0.442 652 F N 1.873 121.748 119.950 -0.125 0.000 2.113 652 F HA -0.146 4.382 4.527 0.001 0.000 0.297 652 F C 2.054 177.791 175.800 -0.104 0.000 1.103 652 F CA 0.712 58.658 58.000 -0.090 0.000 1.248 652 F CB -0.336 38.636 39.000 -0.047 0.000 0.999 652 F HN -0.149 nan 8.300 nan 0.000 0.475 653 I N 0.517 121.003 120.570 -0.140 0.000 2.394 653 I HA -0.137 4.033 4.170 0.001 0.000 0.251 653 I C 2.389 178.344 176.117 -0.271 0.000 1.136 653 I CA 1.503 62.649 61.300 -0.257 0.000 1.425 653 I CB -0.964 36.965 38.000 -0.118 0.000 1.079 653 I HN 0.146 nan 8.210 nan 0.000 0.425 654 A N -0.918 121.747 122.820 -0.259 0.000 1.902 654 A HA -0.201 4.119 4.320 0.001 0.000 0.217 654 A C 2.339 179.636 177.584 -0.479 0.000 1.181 654 A CA 2.399 54.135 52.037 -0.502 0.000 0.623 654 A CB -1.289 16.992 19.000 -1.200 0.000 0.818 654 A HN 0.447 nan 8.150 nan 0.000 0.443 655 T N 0.383 114.755 114.554 -0.303 0.000 2.777 655 T HA -0.041 4.309 4.350 0.001 0.000 0.266 655 T C 1.826 176.448 174.700 -0.130 0.000 1.040 655 T CA 1.358 63.452 62.100 -0.010 0.000 1.141 655 T CB -0.350 68.562 68.868 0.073 0.000 0.868 655 T HN 0.348 nan 8.240 nan 0.000 0.444 656 L N 0.720 121.731 121.223 -0.352 0.000 2.017 656 L HA -0.152 4.189 4.340 0.001 0.000 0.208 656 L C 2.923 179.566 176.870 -0.378 0.000 1.073 656 L CA 1.465 56.040 54.840 -0.442 0.000 0.745 656 L CB -0.554 41.150 42.059 -0.592 0.000 0.894 656 L HN 0.291 nan 8.230 nan 0.000 0.432 657 Q N -1.468 118.087 119.800 -0.407 0.000 2.124 657 Q HA -0.245 4.096 4.340 0.001 0.000 0.202 657 Q C 2.003 177.869 176.000 -0.223 0.000 0.977 657 Q CA 1.792 57.283 55.803 -0.519 0.000 0.850 657 Q CB -0.174 28.143 28.738 -0.702 0.000 0.901 657 Q HN 0.472 nan 8.270 nan 0.000 0.429 658 Y N 0.705 120.895 120.300 -0.183 0.000 2.176 658 Y HA -0.162 4.388 4.550 0.001 0.000 0.291 658 Y C 1.911 177.777 175.900 -0.057 0.000 1.122 658 Y CA 1.079 59.151 58.100 -0.047 0.000 1.128 658 Y CB 0.047 38.557 38.460 0.083 0.000 1.005 658 Y HN -0.015 nan 8.280 nan 0.000 0.509 659 I N -0.811 119.730 120.570 -0.048 0.000 2.233 659 I HA -0.184 3.986 4.170 0.001 0.000 0.243 659 I C 2.108 178.090 176.117 -0.225 0.000 1.093 659 I CA 1.243 62.456 61.300 -0.147 0.000 1.380 659 I CB -1.176 36.801 38.000 -0.038 0.000 1.067 659 I HN 0.190 nan 8.210 nan 0.000 0.413 660 V N 0.353 120.099 119.914 -0.279 0.000 2.788 660 V HA 0.150 4.270 4.120 0.001 0.000 0.241 660 V C 2.547 178.527 176.094 -0.190 0.000 1.083 660 V CA 1.216 63.333 62.300 -0.305 0.000 1.103 660 V CB -0.749 30.720 31.823 -0.591 0.000 0.800 660 V HN 0.400 nan 8.190 nan 0.000 0.476 661 G N 0.391 109.074 108.800 -0.195 0.000 2.450 661 G HA2 -0.231 3.730 3.960 0.001 0.000 0.220 661 G HA3 -0.231 3.730 3.960 0.001 0.000 0.220 661 G C 1.692 176.623 174.900 0.051 0.000 1.130 661 G CA 0.584 45.658 45.100 -0.043 0.000 0.760 661 G HN 0.419 nan 8.290 nan 0.000 0.557 662 R N 0.748 121.215 120.500 -0.055 0.000 2.189 662 R HA 0.048 4.388 4.340 0.001 0.000 0.218 662 R C 1.455 177.722 176.300 -0.056 0.000 1.074 662 R CA 0.576 56.644 56.100 -0.055 0.000 0.991 662 R CB -0.123 30.073 30.300 -0.174 0.000 0.883 662 R HN 0.442 nan 8.270 nan 0.000 0.457 663 S N 0.592 116.252 115.700 -0.067 0.000 2.549 663 S HA 0.080 4.551 4.470 0.001 0.000 0.283 663 S C 0.923 175.510 174.600 -0.021 0.000 1.320 663 S CA -0.535 57.636 58.200 -0.048 0.000 1.058 663 S CB 1.457 64.628 63.200 -0.048 0.000 0.882 663 S HN 0.182 nan 8.310 nan 0.000 0.498 664 R N 2.166 122.655 120.500 -0.019 0.000 2.120 664 R HA -0.110 4.230 4.340 0.001 0.000 0.234 664 R C 2.096 178.393 176.300 -0.005 0.000 1.123 664 R CA 1.721 57.813 56.100 -0.013 0.000 0.975 664 R CB -0.377 29.916 30.300 -0.013 0.000 0.866 664 R HN 0.911 nan 8.270 nan 0.000 0.446 665 K N 0.590 120.991 120.400 0.001 0.000 2.432 665 K HA -0.080 4.241 4.320 0.001 0.000 0.196 665 K C 0.718 177.331 176.600 0.023 0.000 1.038 665 K CA 0.482 56.776 56.287 0.012 0.000 0.986 665 K CB 0.146 32.658 32.500 0.019 0.000 0.782 665 K HN -0.121 nan 8.250 nan 0.000 0.485 666 Q N 1.870 121.683 119.800 0.021 0.000 2.344 666 Q HA 0.126 4.466 4.340 0.001 0.000 0.253 666 Q C -0.389 175.631 176.000 0.032 0.000 1.050 666 Q CA 0.031 55.857 55.803 0.039 0.000 0.912 666 Q CB 0.716 29.473 28.738 0.032 0.000 1.258 666 Q HN 0.214 nan 8.270 nan 0.000 0.443 667 N N 2.762 121.483 118.700 0.035 0.000 2.197 667 N HA 0.080 4.821 4.740 0.001 0.000 0.201 667 N C -0.739 174.795 175.510 0.039 0.000 1.148 667 N CA -0.011 53.048 53.050 0.016 0.000 0.883 667 N CB 0.531 39.024 38.487 0.009 0.000 1.012 667 N HN 0.426 nan 8.380 nan 0.000 0.507 668 N N 2.625 121.369 118.700 0.073 0.000 2.514 668 N HA 0.217 4.957 4.740 0.001 0.000 0.277 668 N C -2.386 173.200 175.510 0.127 0.000 1.126 668 N CA -1.090 52.017 53.050 0.095 0.000 0.978 668 N CB 0.973 39.528 38.487 0.113 0.000 1.106 668 N HN 0.133 nan 8.380 nan 0.000 0.461 669 P HA 0.175 nan 4.420 nan 0.000 0.275 669 P C -0.773 176.668 177.300 0.235 0.000 1.228 669 P CA -0.117 63.097 63.100 0.191 0.000 0.786 669 P CB 0.951 32.606 31.700 -0.076 0.000 0.927 670 L N 3.284 124.656 121.223 0.248 0.000 2.401 670 L HA 0.462 4.802 4.340 0.001 0.000 0.263 670 L C 0.001 176.862 176.870 -0.016 0.000 1.004 670 L CA -0.308 54.558 54.840 0.044 0.000 0.881 670 L CB 0.798 42.779 42.059 -0.131 0.000 1.219 670 L HN 0.227 nan 8.230 nan 0.000 0.441 671 L N 3.365 124.545 121.223 -0.072 0.000 2.301 671 L HA 0.683 5.024 4.340 0.001 0.000 0.264 671 L C -0.767 175.995 176.870 -0.178 0.000 1.016 671 L CA -0.783 53.971 54.840 -0.144 0.000 0.821 671 L CB 3.119 45.057 42.059 -0.203 0.000 1.346 671 L HN 0.437 nan 8.230 nan 0.000 0.429 672 I N 0.009 120.490 120.570 -0.148 0.000 2.686 672 I HA 0.408 4.578 4.170 0.001 0.000 0.295 672 I C -1.436 174.649 176.117 -0.054 0.000 1.114 672 I CA -0.347 60.892 61.300 -0.101 0.000 1.038 672 I CB 2.258 40.214 38.000 -0.074 0.000 1.238 672 I HN 0.637 nan 8.210 nan 0.000 0.420 673 H N 6.880 125.886 119.070 -0.106 0.000 2.609 673 H HA 0.506 5.062 4.556 0.001 0.000 0.344 673 H C -1.916 173.391 175.328 -0.035 0.000 1.040 673 H CA -0.538 55.465 56.048 -0.076 0.000 1.216 673 H CB 2.066 31.782 29.762 -0.077 0.000 1.529 673 H HN 0.357 nan 8.280 nan 0.000 0.519 674 V N 5.785 125.361 119.914 -0.564 0.000 2.313 674 V HA 0.057 4.177 4.120 0.001 0.000 0.278 674 V C 0.287 176.131 176.094 -0.417 0.000 1.017 674 V CA -0.730 61.379 62.300 -0.319 0.000 0.823 674 V CB 1.121 32.854 31.823 -0.150 0.000 1.010 674 V HN 0.737 nan 8.190 nan 0.000 0.443 675 D N 3.392 123.685 120.400 -0.178 0.000 2.358 675 D HA 0.458 5.099 4.640 0.001 0.000 0.244 675 D C 0.416 176.736 176.300 0.032 0.000 1.163 675 D CA 0.130 54.123 54.000 -0.011 0.000 0.945 675 D CB 1.543 42.425 40.800 0.138 0.000 1.152 675 D HN 0.665 nan 8.370 nan 0.000 0.451 676 T N -1.361 113.233 114.554 0.066 0.000 2.945 676 T HA 0.403 4.753 4.350 0.001 0.000 0.286 676 T C 0.010 174.763 174.700 0.088 0.000 1.025 676 T CA -0.926 61.232 62.100 0.097 0.000 1.039 676 T CB 1.143 70.057 68.868 0.076 0.000 1.068 676 T HN 0.490 nan 8.240 nan 0.000 0.497 677 K N -0.401 120.050 120.400 0.085 0.000 3.035 677 K HA -0.096 4.224 4.320 0.001 0.000 0.262 677 K C -0.025 176.539 176.600 -0.060 0.000 1.024 677 K CA 0.641 56.866 56.287 -0.104 0.000 0.748 677 K CB -2.050 30.407 32.500 -0.071 0.000 1.247 677 K HN 1.022 nan 8.250 nan 0.000 0.482 678 A N -0.806 122.040 122.820 0.043 0.000 2.566 678 A HA 0.851 5.172 4.320 0.001 0.000 0.292 678 A C 0.261 177.931 177.584 0.143 0.000 1.112 678 A CA -0.084 51.996 52.037 0.071 0.000 0.707 678 A CB 2.010 21.057 19.000 0.078 0.000 1.302 678 A HN 0.242 nan 8.150 nan 0.000 0.409 679 G N -1.195 107.687 108.800 0.137 0.000 3.291 679 G HA2 0.402 4.362 3.960 0.001 0.000 0.173 679 G HA3 0.402 4.362 3.960 0.001 0.000 0.173 679 G C 0.540 175.552 174.900 0.187 0.000 1.099 679 G CA 0.458 45.668 45.100 0.184 0.000 0.794 679 G HN 0.855 nan 8.290 nan 0.000 0.651 680 H N -0.534 118.591 119.070 0.091 0.000 2.421 680 H HA 0.131 4.687 4.556 0.001 0.000 0.298 680 H C 1.927 177.291 175.328 0.061 0.000 1.087 680 H CA 2.776 58.870 56.048 0.076 0.000 1.330 680 H CB 0.253 30.063 29.762 0.080 0.000 1.388 680 H HN 0.792 nan 8.280 nan 0.000 0.526 681 G N -2.050 106.795 108.800 0.074 0.000 3.505 681 G HA2 -0.059 3.902 3.960 0.001 0.000 0.210 681 G HA3 -0.059 3.902 3.960 0.001 0.000 0.210 681 G C 0.264 175.190 174.900 0.044 0.000 1.047 681 G CA -0.101 45.006 45.100 0.011 0.000 0.884 681 G HN 0.589 nan 8.290 nan 0.000 0.434 682 A N 0.721 123.585 122.820 0.074 0.000 2.511 682 A HA 0.562 4.883 4.320 0.001 0.000 0.242 682 A C 1.916 179.536 177.584 0.060 0.000 1.069 682 A CA 1.808 53.884 52.037 0.064 0.000 0.763 682 A CB -0.291 18.757 19.000 0.079 0.000 1.001 682 A HN 2.415 nan 8.150 nan 0.000 0.498 683 G N 1.177 110.005 108.800 0.047 0.000 2.184 683 G HA2 -0.286 3.675 3.960 0.001 0.000 0.264 683 G HA3 -0.286 3.675 3.960 0.001 0.000 0.264 683 G C 0.393 175.319 174.900 0.044 0.000 0.975 683 G CA 0.745 45.872 45.100 0.045 0.000 0.642 683 G HN 1.070 nan 8.290 nan 0.000 0.536 684 K N 1.929 122.356 120.400 0.046 0.000 2.451 684 K HA 0.306 4.627 4.320 0.001 0.000 0.280 684 K C -1.514 175.115 176.600 0.048 0.000 1.020 684 K CA -0.992 55.322 56.287 0.045 0.000 1.008 684 K CB 0.664 33.190 32.500 0.044 0.000 0.917 684 K HN 0.173 nan 8.250 nan 0.000 0.478 685 P HA -0.018 nan 4.420 nan 0.000 0.272 685 P C 0.153 177.492 177.300 0.065 0.000 1.223 685 P CA -0.180 62.947 63.100 0.045 0.000 0.784 685 P CB 0.828 32.547 31.700 0.033 0.000 0.923 686 T N 1.886 116.489 114.554 0.081 0.000 2.685 686 T HA -0.233 4.117 4.350 0.001 0.000 0.268 686 T C 1.884 176.652 174.700 0.114 0.000 1.034 686 T CA 2.382 64.566 62.100 0.141 0.000 1.149 686 T CB -0.749 68.196 68.868 0.129 0.000 0.860 686 T HN 0.560 nan 8.240 nan 0.000 0.449 687 A N 1.550 124.414 122.820 0.073 0.000 1.908 687 A HA -0.171 4.150 4.320 0.001 0.000 0.218 687 A C 2.287 179.903 177.584 0.053 0.000 1.181 687 A CA 1.741 53.814 52.037 0.059 0.000 0.627 687 A CB -0.442 18.583 19.000 0.041 0.000 0.818 687 A HN 0.480 nan 8.150 nan 0.000 0.445 688 K N -0.620 119.810 120.400 0.050 0.000 2.103 688 K HA -0.002 4.318 4.320 0.001 0.000 0.204 688 K C 1.871 178.494 176.600 0.038 0.000 1.052 688 K CA 1.130 57.444 56.287 0.044 0.000 0.945 688 K CB -0.266 32.262 32.500 0.047 0.000 0.722 688 K HN 0.309 nan 8.250 nan 0.000 0.443 689 V N 1.926 121.865 119.914 0.041 0.000 2.343 689 V HA -0.259 3.862 4.120 0.001 0.000 0.247 689 V C 2.156 178.247 176.094 -0.006 0.000 1.051 689 V CA 1.659 63.968 62.300 0.014 0.000 1.036 689 V CB -0.366 31.465 31.823 0.015 0.000 0.654 689 V HN 0.277 nan 8.190 nan 0.000 0.451 690 I N -0.391 120.188 120.570 0.016 0.000 2.226 690 I HA -0.174 3.997 4.170 0.001 0.000 0.245 690 I C 2.635 178.787 176.117 0.059 0.000 1.100 690 I CA 1.235 62.556 61.300 0.035 0.000 1.374 690 I CB -0.411 37.629 38.000 0.068 0.000 1.057 690 I HN 0.315 nan 8.210 nan 0.000 0.413 691 E N 0.591 120.813 120.200 0.038 0.000 2.110 691 E HA -0.268 4.082 4.350 0.001 0.000 0.193 691 E C 1.936 178.530 176.600 -0.010 0.000 0.988 691 E CA 1.170 57.580 56.400 0.016 0.000 0.804 691 E CB -0.258 29.445 29.700 0.005 0.000 0.745 691 E HN 0.566 nan 8.360 nan 0.000 0.458 692 E N 0.830 121.027 120.200 -0.005 0.000 2.051 692 E HA -0.153 4.197 4.350 0.001 0.000 0.192 692 E C 2.204 178.787 176.600 -0.028 0.000 0.991 692 E CA 1.839 58.224 56.400 -0.025 0.000 0.799 692 E CB 0.112 29.809 29.700 -0.004 0.000 0.748 692 E HN 0.154 nan 8.360 nan 0.000 0.449 693 V N -1.102 118.827 119.914 0.025 0.000 2.515 693 V HA -0.147 3.974 4.120 0.001 0.000 0.250 693 V C 2.176 178.257 176.094 -0.023 0.000 1.058 693 V CA 1.804 64.152 62.300 0.081 0.000 1.064 693 V CB -0.433 31.529 31.823 0.231 0.000 0.675 693 V HN 0.107 nan 8.190 nan 0.000 0.461 694 S N 0.711 116.421 115.700 0.016 0.000 2.368 694 S HA -0.169 4.302 4.470 0.001 0.000 0.224 694 S C 1.709 176.251 174.600 -0.097 0.000 1.029 694 S CA 1.663 59.841 58.200 -0.036 0.000 0.988 694 S CB -0.514 62.752 63.200 0.110 0.000 0.838 694 S HN 0.680 nan 8.310 nan 0.000 0.462 695 D N 1.494 121.845 120.400 -0.082 0.000 2.097 695 D HA -0.047 4.593 4.640 0.001 0.000 0.195 695 D C 1.933 178.191 176.300 -0.071 0.000 0.989 695 D CA 1.056 55.007 54.000 -0.083 0.000 0.827 695 D CB -0.324 40.385 40.800 -0.151 0.000 0.966 695 D HN 0.350 nan 8.370 nan 0.000 0.456 696 M N -0.471 119.032 119.600 -0.160 0.000 2.065 696 M HA -0.164 4.316 4.480 0.001 0.000 0.259 696 M C 2.075 178.174 176.300 -0.334 0.000 1.071 696 M CA 1.451 56.588 55.300 -0.272 0.000 1.109 696 M CB -0.400 31.924 32.600 -0.460 0.000 1.313 696 M HN -0.037 nan 8.290 nan 0.000 0.408 697 F N -0.058 119.767 119.950 -0.209 0.000 2.407 697 F HA 0.001 4.529 4.527 0.001 0.000 0.299 697 F C 2.527 178.311 175.800 -0.028 0.000 1.097 697 F CA 0.967 58.855 58.000 -0.187 0.000 1.422 697 F CB -0.861 37.820 39.000 -0.530 0.000 1.067 697 F HN 0.112 nan 8.300 nan 0.000 0.539 698 A N -0.350 122.511 122.820 0.067 0.000 1.929 698 A HA -0.166 4.154 4.320 0.001 0.000 0.216 698 A C 2.051 179.734 177.584 0.165 0.000 1.176 698 A CA 1.041 53.141 52.037 0.105 0.000 0.628 698 A CB -1.191 17.842 19.000 0.054 0.000 0.816 698 A HN 0.355 nan 8.150 nan 0.000 0.444 699 F N 0.795 120.775 119.950 0.049 0.000 2.102 699 F HA -0.145 4.383 4.527 0.001 0.000 0.298 699 F C 1.964 177.858 175.800 0.157 0.000 1.105 699 F CA 1.624 59.709 58.000 0.142 0.000 1.239 699 F CB -0.284 38.773 39.000 0.096 0.000 0.991 699 F HN 0.176 nan 8.300 nan 0.000 0.474 700 I N 0.134 120.804 120.570 0.167 0.000 2.163 700 I HA -0.348 3.822 4.170 0.001 0.000 0.243 700 I C 2.688 178.887 176.117 0.136 0.000 1.085 700 I CA 1.335 62.714 61.300 0.131 0.000 1.347 700 I CB -0.998 37.141 38.000 0.232 0.000 1.044 700 I HN 0.233 nan 8.210 nan 0.000 0.408 701 A N 0.662 123.598 122.820 0.193 0.000 1.877 701 A HA -0.261 4.060 4.320 0.001 0.000 0.216 701 A C 2.442 180.074 177.584 0.081 0.000 1.186 701 A CA 1.989 54.136 52.037 0.184 0.000 0.620 701 A CB -0.661 18.476 19.000 0.229 0.000 0.822 701 A HN 0.370 nan 8.150 nan 0.000 0.443 702 R N -0.869 119.638 120.500 0.011 0.000 2.075 702 R HA -0.123 4.218 4.340 0.001 0.000 0.232 702 R C 2.129 178.407 176.300 -0.037 0.000 1.126 702 R CA 1.868 57.930 56.100 -0.064 0.000 0.963 702 R CB -0.616 29.546 30.300 -0.229 0.000 0.858 702 R HN 0.556 nan 8.270 nan 0.000 0.435 703 C N 0.345 119.595 119.300 -0.084 0.000 2.440 703 C HA 0.026 4.487 4.460 0.001 0.000 0.278 703 C C 2.157 177.144 174.990 -0.005 0.000 1.295 703 C CA 0.404 59.377 59.018 -0.075 0.000 1.738 703 C CB -0.600 26.964 27.740 -0.293 0.000 1.987 703 C HN 0.494 nan 8.230 nan 0.000 0.492 704 L N 0.632 121.870 121.223 0.025 0.000 2.607 704 L HA 0.165 4.505 4.340 0.001 0.000 0.228 704 L C 0.560 177.471 176.870 0.070 0.000 1.123 704 L CA 0.143 55.023 54.840 0.066 0.000 0.890 704 L CB -0.637 41.491 42.059 0.115 0.000 1.103 704 L HN 0.324 nan 8.230 nan 0.000 0.468 705 N N 1.700 120.434 118.700 0.057 0.000 2.727 705 N HA -0.203 4.538 4.740 0.001 0.000 0.251 705 N C -0.612 174.944 175.510 0.077 0.000 1.040 705 N CA 0.511 53.594 53.050 0.055 0.000 0.712 705 N CB -1.163 37.349 38.487 0.042 0.000 0.912 705 N HN 0.334 nan 8.380 nan 0.000 0.545 706 I N 0.518 121.154 120.570 0.110 0.000 2.336 706 I HA 0.215 4.385 4.170 0.001 0.000 0.292 706 I C 0.406 176.616 176.117 0.155 0.000 0.991 706 I CA -0.784 60.596 61.300 0.134 0.000 1.227 706 I CB 1.002 39.112 38.000 0.184 0.000 1.366 706 I HN 0.034 nan 8.210 nan 0.000 0.466 707 D N 5.492 125.974 120.400 0.136 0.000 2.304 707 D HA 0.066 4.706 4.640 0.001 0.000 0.247 707 D C -0.519 175.924 176.300 0.237 0.000 1.089 707 D CA -0.226 53.876 54.000 0.170 0.000 0.910 707 D CB 1.386 42.260 40.800 0.122 0.000 1.199 707 D HN 0.425 nan 8.370 nan 0.000 0.426 708 W N 2.872 124.217 121.300 0.075 0.000 2.190 708 W HA 0.275 4.935 4.660 0.001 0.000 0.330 708 W C -0.894 175.677 176.519 0.086 0.000 1.299 708 W CA -0.369 57.031 57.345 0.092 0.000 1.215 708 W CB 0.462 29.969 29.460 0.078 0.000 1.147 708 W HN 0.251 nan 8.180 nan 0.000 0.563 709 I N 8.785 129.101 120.570 -0.424 0.000 2.371 709 I HA 0.161 4.332 4.170 0.001 0.000 0.282 709 I C -1.843 174.021 176.117 -0.422 0.000 1.031 709 I CA -2.136 58.982 61.300 -0.303 0.000 1.180 709 I CB 1.079 38.927 38.000 -0.254 0.000 1.336 709 I HN 0.086 nan 8.210 nan 0.000 0.467 710 P HA 0.000 nan 4.420 nan 0.000 0.216 710 P CA 0.000 63.156 63.100 0.093 0.000 0.800 710 P CB 0.000 31.803 31.700 0.171 0.000 0.726