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 1wp9_1_E DATA FIRST_RESID 1 DATA SEQUENCE MVLRRDLIQP RIYQEVIYAK CKETNCLIVL PTGLGKTLIA MMIAEYRLTK DATA SEQUENCE YGGKVLMLAP TKPLVLQHAE SFRRLFNLPP EKIVALTGEK SPEERSKAWA DATA SEQUENCE RAKVIVATPQ TIENDLLAGR ISLEDVSLIV FDEAHRAVGN YAYVFIAREY DATA SEQUENCE KRQAKNPLVI GLTASPGSTP EKIMEVINNL GIEHIEYRSE NSPDVRPYVK DATA SEQUENCE GIRFEWVRVD LPEIYKEVRK LLREMLRDAL KPLAETGLLE SSSPDIPKKE DATA SEQUENCE VLRAGQIINE EMAKGNHDLR GLLLYHAMAL KLHHAIELLE TQGLSALRAY DATA SEQUENCE IKKLYEEAKA GSTKASKEIF SDKRMKKAIS LLVQAKEIGL DHPKMDKLKE DATA SEQUENCE IIREQLQRKQ NSKIIVFTNY RETAKKIVNE LVKDGIKAKR FVXXXXXXXX DATA SEQUENCE XXXXQREQKL ILDEFARGEF NVLVATSVGE EGLDVPEVDL VVFYEPVPSA DATA SEQUENCE IRSIQRRGRT GRHMPGRVII LMAKGTRDEA YYWSSRQ 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 0.000 176.280 176.300 -0.033 0.000 1.140 1 M CA 0.000 55.277 55.300 -0.038 0.000 0.988 1 M CB 0.000 32.560 32.600 -0.067 0.000 1.302 2 V N 0.759 120.664 119.914 -0.016 0.000 2.407 2 V HA 0.048 4.168 4.120 -0.000 0.000 0.245 2 V C 0.634 176.678 176.094 -0.083 0.000 1.041 2 V CA 1.185 63.506 62.300 0.035 0.000 1.040 2 V CB -0.131 31.769 31.823 0.129 0.000 0.671 2 V HN 0.722 nan 8.190 nan 0.000 0.455 3 L N 0.696 121.766 121.223 -0.256 0.000 2.313 3 L HA 0.509 4.849 4.340 -0.000 0.000 0.283 3 L C 0.399 177.056 176.870 -0.355 0.000 1.013 3 L CA -0.426 54.057 54.840 -0.595 0.000 0.816 3 L CB 1.262 42.889 42.059 -0.721 0.000 1.236 3 L HN -0.039 nan 8.230 nan 0.000 0.419 4 R N 4.670 124.973 120.500 -0.329 0.000 4.510 4 R HA 0.081 4.421 4.340 -0.000 0.000 0.170 4 R C 1.108 177.284 176.300 -0.207 0.000 1.906 4 R CA 0.183 56.158 56.100 -0.209 0.000 1.492 4 R CB -0.816 29.388 30.300 -0.159 0.000 1.383 4 R HN 0.713 nan 8.270 nan 0.000 0.823 5 R N 0.814 121.187 120.500 -0.212 0.000 2.154 5 R HA -0.182 4.158 4.340 -0.000 0.000 0.248 5 R C 1.438 177.647 176.300 -0.152 0.000 1.155 5 R CA 1.892 57.874 56.100 -0.196 0.000 0.979 5 R CB -0.036 30.151 30.300 -0.189 0.000 0.869 5 R HN 0.535 nan 8.270 nan 0.000 0.452 6 D N 0.728 121.053 120.400 -0.125 0.000 2.182 6 D HA -0.198 4.442 4.640 -0.000 0.000 0.201 6 D C 1.731 177.976 176.300 -0.092 0.000 0.986 6 D CA 1.176 55.118 54.000 -0.096 0.000 0.847 6 D CB -0.278 40.475 40.800 -0.078 0.000 0.942 6 D HN 0.317 nan 8.370 nan 0.000 0.467 7 L N -0.211 120.950 121.223 -0.104 0.000 2.307 7 L HA 0.132 4.472 4.340 -0.000 0.000 0.211 7 L C 2.638 179.446 176.870 -0.103 0.000 1.099 7 L CA 0.301 55.085 54.840 -0.093 0.000 0.816 7 L CB -0.149 41.855 42.059 -0.091 0.000 0.952 7 L HN -0.076 nan 8.230 nan 0.000 0.455 8 I N -0.649 119.842 120.570 -0.131 0.000 2.876 8 I HA -0.116 4.054 4.170 -0.000 0.000 0.264 8 I C 0.501 176.535 176.117 -0.139 0.000 1.204 8 I CA 0.249 61.464 61.300 -0.142 0.000 1.485 8 I CB -0.095 37.797 38.000 -0.179 0.000 1.103 8 I HN 0.306 nan 8.210 nan 0.000 0.446 9 Q N 1.125 120.848 119.800 -0.129 0.000 2.443 9 Q HA -0.149 4.191 4.340 -0.000 0.000 0.337 9 Q C -2.024 173.878 176.000 -0.163 0.000 1.401 9 Q CA -0.391 55.340 55.803 -0.119 0.000 0.943 9 Q CB -1.525 27.162 28.738 -0.086 0.000 1.177 9 Q HN 0.372 nan 8.270 nan 0.000 0.394 10 P HA -0.026 nan 4.420 nan 0.000 0.262 10 P C -0.037 177.081 177.300 -0.304 0.000 1.182 10 P CA 0.632 63.574 63.100 -0.265 0.000 0.761 10 P CB 0.560 32.108 31.700 -0.255 0.000 0.795 11 R N 2.084 122.274 120.500 -0.517 0.000 2.577 11 R HA 0.302 4.642 4.340 -0.000 0.000 0.269 11 R C 2.007 178.008 176.300 -0.498 0.000 1.084 11 R CA -0.555 55.123 56.100 -0.703 0.000 1.163 11 R CB 0.046 29.379 30.300 -1.612 0.000 1.100 11 R HN 0.378 nan 8.270 nan 0.000 0.547 12 I N 0.741 121.204 120.570 -0.179 0.000 2.091 12 I HA -0.397 3.773 4.170 -0.000 0.000 0.239 12 I C 2.113 178.204 176.117 -0.043 0.000 1.061 12 I CA 1.841 63.139 61.300 -0.003 0.000 1.317 12 I CB -0.438 37.679 38.000 0.195 0.000 1.031 12 I HN 0.738 nan 8.210 nan 0.000 0.401 13 Y N 1.123 121.433 120.300 0.017 0.000 2.256 13 Y HA -0.233 4.317 4.550 -0.000 0.000 0.288 13 Y C 2.363 178.250 175.900 -0.021 0.000 1.155 13 Y CA 1.076 59.180 58.100 0.007 0.000 1.203 13 Y CB -1.312 37.153 38.460 0.007 0.000 0.980 13 Y HN 0.191 nan 8.280 nan 0.000 0.530 14 Q N 0.155 119.610 119.800 -0.575 0.000 2.119 14 Q HA -0.181 4.159 4.340 -0.000 0.000 0.201 14 Q C 2.158 178.101 176.000 -0.095 0.000 0.972 14 Q CA 1.675 57.293 55.803 -0.308 0.000 0.847 14 Q CB -0.093 28.337 28.738 -0.514 0.000 0.903 14 Q HN 0.612 nan 8.270 nan 0.000 0.433 15 E N -0.044 120.087 120.200 -0.114 0.000 2.028 15 E HA -0.142 4.208 4.350 -0.000 0.000 0.191 15 E C 1.888 178.565 176.600 0.129 0.000 0.988 15 E CA 1.036 57.436 56.400 -0.001 0.000 0.799 15 E CB -0.087 29.589 29.700 -0.038 0.000 0.755 15 E HN 0.066 nan 8.360 nan 0.000 0.447 16 V N 0.971 120.937 119.914 0.087 0.000 2.252 16 V HA -0.323 3.797 4.120 -0.000 0.000 0.249 16 V C 2.388 178.543 176.094 0.102 0.000 1.056 16 V CA 2.139 64.497 62.300 0.097 0.000 1.022 16 V CB -0.512 31.372 31.823 0.101 0.000 0.641 16 V HN 0.351 nan 8.190 nan 0.000 0.445 17 I N -0.882 119.762 120.570 0.124 0.000 2.127 17 I HA -0.337 3.833 4.170 -0.000 0.000 0.241 17 I C 2.478 178.651 176.117 0.092 0.000 1.075 17 I CA 2.523 63.893 61.300 0.116 0.000 1.334 17 I CB -0.612 37.470 38.000 0.138 0.000 1.040 17 I HN 0.490 nan 8.210 nan 0.000 0.405 18 Y N 2.052 122.352 120.300 -0.000 0.000 2.102 18 Y HA -0.387 4.163 4.550 -0.000 0.000 0.280 18 Y C 2.460 178.325 175.900 -0.057 0.000 1.178 18 Y CA 1.678 59.763 58.100 -0.024 0.000 1.146 18 Y CB -0.660 37.776 38.460 -0.041 0.000 0.968 18 Y HN 0.135 nan 8.280 nan 0.000 0.504 19 A N 0.684 123.355 122.820 -0.248 0.000 1.883 19 A HA -0.230 4.090 4.320 -0.000 0.000 0.217 19 A C 2.224 179.632 177.584 -0.293 0.000 1.186 19 A CA 2.308 54.123 52.037 -0.370 0.000 0.624 19 A CB -0.630 18.331 19.000 -0.065 0.000 0.822 19 A HN 0.619 nan 8.150 nan 0.000 0.444 20 K N -0.965 119.357 120.400 -0.129 0.000 2.062 20 K HA -0.057 4.263 4.320 -0.000 0.000 0.205 20 K C 1.606 178.173 176.600 -0.055 0.000 1.051 20 K CA 1.331 57.577 56.287 -0.068 0.000 0.941 20 K CB -0.293 32.228 32.500 0.036 0.000 0.719 20 K HN 0.546 nan 8.250 nan 0.000 0.440 21 C N 1.514 120.789 119.300 -0.041 0.000 2.573 21 C HA 0.127 4.587 4.460 -0.000 0.000 0.273 21 C C 2.076 177.019 174.990 -0.078 0.000 1.346 21 C CA -0.388 58.630 59.018 0.000 0.000 1.702 21 C CB -1.014 26.752 27.740 0.044 0.000 1.751 21 C HN 0.411 nan 8.230 nan 0.000 0.583 22 K N 1.613 121.867 120.400 -0.243 0.000 2.152 22 K HA -0.164 4.156 4.320 -0.000 0.000 0.206 22 K C 1.342 177.878 176.600 -0.106 0.000 1.048 22 K CA 1.510 57.574 56.287 -0.371 0.000 0.933 22 K CB 0.089 32.100 32.500 -0.815 0.000 0.721 22 K HN 0.352 nan 8.250 nan 0.000 0.447 23 E N -0.163 120.011 120.200 -0.043 0.000 3.029 23 E HA 0.154 4.504 4.350 -0.000 0.000 0.196 23 E C -1.573 175.055 176.600 0.045 0.000 0.973 23 E CA -0.172 56.267 56.400 0.064 0.000 1.242 23 E CB 1.265 31.016 29.700 0.084 0.000 1.056 23 E HN 0.013 nan 8.360 nan 0.000 0.469 24 T N -0.481 114.099 114.554 0.043 0.000 2.916 24 T HA 0.350 4.700 4.350 -0.000 0.000 0.305 24 T C -0.591 174.156 174.700 0.078 0.000 1.119 24 T CA -0.834 61.299 62.100 0.055 0.000 1.008 24 T CB 1.315 70.216 68.868 0.056 0.000 1.129 24 T HN 0.028 nan 8.240 nan 0.000 0.480 25 N N 1.220 119.968 118.700 0.080 0.000 2.438 25 N HA 0.327 5.067 4.740 -0.000 0.000 0.267 25 N C -0.683 174.881 175.510 0.090 0.000 1.222 25 N CA -0.008 53.095 53.050 0.088 0.000 0.930 25 N CB 0.252 38.788 38.487 0.081 0.000 1.083 25 N HN 0.435 nan 8.380 nan 0.000 0.476 26 C N 2.273 121.623 119.300 0.083 0.000 2.971 26 C HA 0.543 5.003 4.460 -0.000 0.000 0.310 26 C C -0.484 174.530 174.990 0.040 0.000 1.285 26 C CA -0.743 58.311 59.018 0.061 0.000 1.593 26 C CB 1.422 29.206 27.740 0.073 0.000 2.076 26 C HN 0.540 nan 8.230 nan 0.000 0.472 27 L N 1.993 123.219 121.223 0.004 0.000 2.325 27 L HA 0.636 4.976 4.340 -0.000 0.000 0.281 27 L C -0.679 176.195 176.870 0.007 0.000 1.004 27 L CA -0.033 54.816 54.840 0.015 0.000 0.823 27 L CB 1.014 43.077 42.059 0.006 0.000 1.236 27 L HN 0.523 nan 8.230 nan 0.000 0.415 28 I N 5.093 125.685 120.570 0.036 0.000 2.330 28 I HA 0.363 4.533 4.170 -0.000 0.000 0.289 28 I C -0.728 175.411 176.117 0.037 0.000 1.001 28 I CA -0.692 60.628 61.300 0.033 0.000 1.193 28 I CB 1.548 39.578 38.000 0.049 0.000 1.345 28 I HN 0.157 nan 8.210 nan 0.000 0.461 29 V N 8.210 128.140 119.914 0.027 0.000 2.313 29 V HA 0.493 4.613 4.120 -0.000 0.000 0.278 29 V C -0.104 175.914 176.094 -0.126 0.000 1.017 29 V CA -0.342 61.966 62.300 0.014 0.000 0.823 29 V CB 1.057 32.969 31.823 0.148 0.000 1.010 29 V HN 0.490 nan 8.190 nan 0.000 0.443 30 L N 6.007 127.165 121.223 -0.109 0.000 2.409 30 L HA 0.589 4.929 4.340 -0.000 0.000 0.262 30 L C -2.764 174.033 176.870 -0.122 0.000 0.992 30 L CA -2.078 52.657 54.840 -0.175 0.000 0.817 30 L CB 2.966 44.948 42.059 -0.128 0.000 1.350 30 L HN 0.332 nan 8.230 nan 0.000 0.411 31 P HA 0.068 nan 4.420 nan 0.000 0.268 31 P C -0.458 176.815 177.300 -0.045 0.000 1.205 31 P CA -0.104 62.945 63.100 -0.086 0.000 0.771 31 P CB 0.427 32.071 31.700 -0.094 0.000 0.858 32 T N 2.502 117.049 114.554 -0.012 0.000 2.923 32 T HA 0.260 4.610 4.350 -0.000 0.000 0.304 32 T C 1.442 176.153 174.700 0.019 0.000 1.044 32 T CA 1.608 63.718 62.100 0.016 0.000 1.141 32 T CB -0.407 68.478 68.868 0.029 0.000 1.023 32 T HN 0.844 nan 8.240 nan 0.000 0.533 33 G N 2.072 110.892 108.800 0.033 0.000 2.179 33 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.220 33 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.220 33 G C 0.641 175.568 174.900 0.046 0.000 0.990 33 G CA -0.063 45.059 45.100 0.038 0.000 0.646 33 G HN 0.666 nan 8.290 nan 0.000 0.517 34 L N 0.548 121.796 121.223 0.042 0.000 2.607 34 L HA 0.466 4.806 4.340 -0.000 0.000 0.228 34 L C 1.999 178.975 176.870 0.177 0.000 1.123 34 L CA 0.866 55.765 54.840 0.098 0.000 0.890 34 L CB 0.177 42.203 42.059 -0.056 0.000 1.103 34 L HN 0.994 nan 8.230 nan 0.000 0.468 35 G N -0.122 108.732 108.800 0.090 0.000 2.144 35 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.218 35 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.218 35 G C 0.932 175.864 174.900 0.052 0.000 0.988 35 G CA 0.351 45.485 45.100 0.056 0.000 0.659 35 G HN 0.283 nan 8.290 nan 0.000 0.522 36 K N -0.350 120.090 120.400 0.067 0.000 2.071 36 K HA -0.204 4.116 4.320 -0.000 0.000 0.217 36 K C 2.591 179.213 176.600 0.037 0.000 1.054 36 K CA 2.346 58.668 56.287 0.060 0.000 0.937 36 K CB -0.398 32.138 32.500 0.061 0.000 0.719 36 K HN 0.401 nan 8.250 nan 0.000 0.454 37 T N 1.685 116.254 114.554 0.025 0.000 2.788 37 T HA -0.108 4.242 4.350 -0.000 0.000 0.268 37 T C 1.800 176.470 174.700 -0.050 0.000 1.044 37 T CA 1.042 63.131 62.100 -0.019 0.000 1.139 37 T CB -0.138 68.724 68.868 -0.010 0.000 0.867 37 T HN 0.128 nan 8.240 nan 0.000 0.454 38 L N 0.311 121.504 121.223 -0.050 0.000 2.017 38 L HA -0.055 4.285 4.340 -0.000 0.000 0.208 38 L C 2.465 179.298 176.870 -0.062 0.000 1.073 38 L CA 1.347 56.131 54.840 -0.092 0.000 0.745 38 L CB -0.594 41.404 42.059 -0.102 0.000 0.894 38 L HN 0.275 nan 8.230 nan 0.000 0.432 39 I N -0.066 120.495 120.570 -0.014 0.000 2.264 39 I HA -0.307 3.863 4.170 -0.000 0.000 0.248 39 I C 2.834 179.006 176.117 0.093 0.000 1.111 39 I CA 1.139 62.464 61.300 0.041 0.000 1.382 39 I CB -0.570 37.477 38.000 0.078 0.000 1.060 39 I HN 0.228 nan 8.210 nan 0.000 0.418 40 A N 1.007 123.871 122.820 0.073 0.000 1.883 40 A HA -0.239 4.081 4.320 -0.000 0.000 0.217 40 A C 2.368 180.048 177.584 0.160 0.000 1.186 40 A CA 1.826 53.929 52.037 0.111 0.000 0.624 40 A CB -0.642 18.409 19.000 0.084 0.000 0.822 40 A HN 0.353 nan 8.150 nan 0.000 0.444 41 M N -1.407 118.246 119.600 0.088 0.000 2.213 41 M HA -0.147 4.333 4.480 -0.000 0.000 0.263 41 M C 2.357 178.783 176.300 0.209 0.000 1.062 41 M CA 1.590 56.991 55.300 0.168 0.000 1.105 41 M CB -0.455 32.102 32.600 -0.071 0.000 1.385 41 M HN 0.431 nan 8.290 nan 0.000 0.417 42 M N -0.079 119.565 119.600 0.073 0.000 2.132 42 M HA -0.171 4.309 4.480 -0.000 0.000 0.263 42 M C 2.068 178.546 176.300 0.297 0.000 1.065 42 M CA 1.604 56.899 55.300 -0.009 0.000 1.122 42 M CB -0.333 32.136 32.600 -0.218 0.000 1.365 42 M HN 0.231 nan 8.290 nan 0.000 0.411 43 I N -0.125 120.699 120.570 0.423 0.000 2.252 43 I HA -0.226 3.944 4.170 -0.000 0.000 0.245 43 I C 2.668 179.026 176.117 0.402 0.000 1.102 43 I CA 1.036 62.606 61.300 0.450 0.000 1.385 43 I CB -0.547 37.612 38.000 0.264 0.000 1.064 43 I HN 0.247 nan 8.210 nan 0.000 0.414 44 A N 0.310 123.336 122.820 0.344 0.000 1.940 44 A HA -0.288 4.032 4.320 -0.000 0.000 0.219 44 A C 2.325 180.117 177.584 0.347 0.000 1.176 44 A CA 2.063 54.288 52.037 0.313 0.000 0.631 44 A CB -0.643 18.567 19.000 0.350 0.000 0.814 44 A HN 0.525 nan 8.150 nan 0.000 0.446 45 E N -1.602 118.857 120.200 0.432 0.000 2.072 45 E HA -0.232 4.118 4.350 -0.000 0.000 0.191 45 E C 1.858 178.641 176.600 0.304 0.000 0.985 45 E CA 1.375 58.001 56.400 0.378 0.000 0.801 45 E CB -0.326 29.527 29.700 0.255 0.000 0.750 45 E HN 0.736 nan 8.360 nan 0.000 0.452 46 Y N 1.424 121.874 120.300 0.251 0.000 2.224 46 Y HA -0.194 4.356 4.550 -0.000 0.000 0.289 46 Y C 2.156 178.153 175.900 0.161 0.000 1.146 46 Y CA 1.648 59.878 58.100 0.217 0.000 1.182 46 Y CB 0.081 38.718 38.460 0.295 0.000 0.983 46 Y HN -0.037 nan 8.280 nan 0.000 0.524 47 R N 0.313 120.963 120.500 0.250 0.000 2.057 47 R HA -0.073 4.267 4.340 -0.000 0.000 0.229 47 R C 2.393 178.750 176.300 0.096 0.000 1.136 47 R CA 1.427 57.653 56.100 0.209 0.000 0.952 47 R CB -1.241 29.233 30.300 0.291 0.000 0.848 47 R HN 0.423 nan 8.270 nan 0.000 0.430 48 L N 1.238 122.517 121.223 0.094 0.000 2.187 48 L HA -0.163 4.177 4.340 -0.000 0.000 0.213 48 L C 2.449 179.317 176.870 -0.003 0.000 1.100 48 L CA 1.878 56.745 54.840 0.045 0.000 0.765 48 L CB -0.699 41.392 42.059 0.054 0.000 0.904 48 L HN 0.387 nan 8.230 nan 0.000 0.437 49 T N -3.922 110.607 114.554 -0.041 0.000 3.035 49 T HA -0.116 4.234 4.350 -0.000 0.000 0.259 49 T C 1.830 176.410 174.700 -0.200 0.000 1.078 49 T CA 0.458 62.505 62.100 -0.087 0.000 1.132 49 T CB 0.152 68.987 68.868 -0.056 0.000 0.900 49 T HN 0.201 nan 8.240 nan 0.000 0.480 50 K N -0.641 119.531 120.400 -0.380 0.000 2.168 50 K HA 0.162 4.482 4.320 -0.000 0.000 0.201 50 K C 0.280 176.533 176.600 -0.578 0.000 1.049 50 K CA 0.255 56.180 56.287 -0.603 0.000 0.974 50 K CB 0.198 32.047 32.500 -1.085 0.000 0.792 50 K HN 0.442 nan 8.250 nan 0.000 0.463 51 Y N -0.164 120.055 120.300 -0.134 0.000 2.956 51 Y HA 0.329 4.879 4.550 -0.000 0.000 0.381 51 Y C 1.644 177.513 175.900 -0.051 0.000 1.244 51 Y CA -0.721 57.335 58.100 -0.072 0.000 1.291 51 Y CB -0.632 37.800 38.460 -0.046 0.000 1.454 51 Y HN 0.030 nan 8.280 nan 0.000 0.797 52 G N -0.558 108.356 108.800 0.191 0.000 2.313 52 G HA2 0.301 4.261 3.960 -0.000 0.000 0.283 52 G HA3 0.301 4.261 3.960 -0.000 0.000 0.283 52 G C 0.085 175.006 174.900 0.034 0.000 1.476 52 G CA 0.080 45.227 45.100 0.078 0.000 1.054 52 G HN 0.869 nan 8.290 nan 0.000 0.550 53 G N -1.035 107.764 108.800 -0.002 0.000 4.632 53 G HA2 0.480 4.440 3.960 -0.000 0.000 0.244 53 G HA3 0.480 4.440 3.960 -0.000 0.000 0.244 53 G C -0.584 174.254 174.900 -0.104 0.000 1.070 53 G CA -0.218 44.856 45.100 -0.044 0.000 0.791 53 G HN 0.533 nan 8.290 nan 0.000 0.544 54 K N 0.504 120.839 120.400 -0.109 0.000 2.616 54 K HA 0.551 4.871 4.320 -0.000 0.000 0.255 54 K C -1.348 175.140 176.600 -0.186 0.000 0.995 54 K CA -0.356 55.805 56.287 -0.210 0.000 0.860 54 K CB 2.145 34.505 32.500 -0.232 0.000 1.264 54 K HN 0.026 nan 8.250 nan 0.000 0.451 55 V N 4.808 124.566 119.914 -0.261 0.000 2.540 55 V HA 0.584 4.704 4.120 -0.000 0.000 0.302 55 V C -1.130 174.763 176.094 -0.334 0.000 1.035 55 V CA -0.930 61.226 62.300 -0.239 0.000 0.873 55 V CB 1.480 33.176 31.823 -0.211 0.000 0.992 55 V HN 0.675 nan 8.190 nan 0.000 0.428 56 L N 5.743 126.789 121.223 -0.294 0.000 2.349 56 L HA 0.739 5.079 4.340 -0.000 0.000 0.278 56 L C -0.660 176.021 176.870 -0.316 0.000 0.996 56 L CA -0.348 54.315 54.840 -0.295 0.000 0.825 56 L CB 1.532 43.474 42.059 -0.195 0.000 1.243 56 L HN 0.800 nan 8.230 nan 0.000 0.412 57 M N 5.967 125.391 119.600 -0.294 0.000 2.167 57 M HA 0.549 5.028 4.480 -0.000 0.000 0.333 57 M C -1.752 174.449 176.300 -0.165 0.000 1.030 57 M CA -0.439 54.715 55.300 -0.244 0.000 0.963 57 M CB 1.031 33.520 32.600 -0.185 0.000 1.589 57 M HN 0.618 nan 8.290 nan 0.000 0.431 58 L N 4.363 125.466 121.223 -0.199 0.000 2.334 58 L HA 0.954 5.294 4.340 -0.000 0.000 0.275 58 L C -0.356 176.620 176.870 0.176 0.000 1.036 58 L CA -0.756 54.078 54.840 -0.009 0.000 0.807 58 L CB 1.702 43.733 42.059 -0.047 0.000 1.231 58 L HN 0.828 nan 8.230 nan 0.000 0.438 59 A N 2.638 125.633 122.820 0.291 0.000 2.520 59 A HA 0.675 4.995 4.320 -0.000 0.000 0.298 59 A C -2.425 175.337 177.584 0.297 0.000 1.051 59 A CA -1.240 50.999 52.037 0.338 0.000 0.690 59 A CB 1.671 20.879 19.000 0.346 0.000 1.281 59 A HN 0.492 nan 8.150 nan 0.000 0.402 60 P HA -0.131 nan 4.420 nan 0.000 0.214 60 P C 0.988 178.374 177.300 0.143 0.000 1.169 60 P CA 2.420 65.634 63.100 0.190 0.000 0.908 60 P CB -0.044 31.731 31.700 0.125 0.000 0.791 61 T N -4.132 110.495 114.554 0.121 0.000 2.912 61 T HA 0.309 4.659 4.350 -0.000 0.000 0.280 61 T C 1.013 175.760 174.700 0.079 0.000 0.989 61 T CA -0.822 61.330 62.100 0.087 0.000 0.995 61 T CB 1.646 70.556 68.868 0.069 0.000 1.077 61 T HN -0.097 nan 8.240 nan 0.000 0.531 62 K N 0.610 121.046 120.400 0.059 0.000 2.031 62 K HA 0.052 4.372 4.320 -0.000 0.000 0.205 62 K C -0.668 175.956 176.600 0.040 0.000 1.049 62 K CA 0.588 56.905 56.287 0.050 0.000 0.939 62 K CB -0.995 31.530 32.500 0.041 0.000 0.717 62 K HN 0.489 nan 8.250 nan 0.000 0.438 63 P HA -0.190 nan 4.420 nan 0.000 0.215 63 P C 1.576 178.868 177.300 -0.013 0.000 1.153 63 P CA 1.274 64.384 63.100 0.016 0.000 0.853 63 P CB -0.045 31.667 31.700 0.019 0.000 0.788 64 L N -0.801 120.413 121.223 -0.015 0.000 2.046 64 L HA -0.137 4.203 4.340 -0.000 0.000 0.208 64 L C 2.759 179.580 176.870 -0.082 0.000 1.077 64 L CA 1.274 56.055 54.840 -0.099 0.000 0.747 64 L CB -0.884 41.182 42.059 0.011 0.000 0.896 64 L HN -0.151 nan 8.230 nan 0.000 0.432 65 V N 0.225 120.173 119.914 0.058 0.000 2.255 65 V HA -0.322 3.798 4.120 -0.000 0.000 0.247 65 V C 2.401 178.543 176.094 0.081 0.000 1.051 65 V CA 1.840 64.208 62.300 0.113 0.000 1.018 65 V CB -0.426 31.455 31.823 0.097 0.000 0.641 65 V HN 0.343 nan 8.190 nan 0.000 0.445 66 L N -0.330 120.920 121.223 0.045 0.000 2.042 66 L HA -0.288 4.052 4.340 -0.000 0.000 0.210 66 L C 2.664 179.559 176.870 0.041 0.000 1.076 66 L CA 2.178 57.044 54.840 0.043 0.000 0.749 66 L CB -0.751 41.327 42.059 0.031 0.000 0.893 66 L HN 0.454 nan 8.230 nan 0.000 0.432 67 Q N -0.440 119.350 119.800 -0.017 0.000 2.002 67 Q HA -0.255 4.085 4.340 -0.000 0.000 0.204 67 Q C 2.349 178.367 176.000 0.029 0.000 0.988 67 Q CA 1.855 57.630 55.803 -0.047 0.000 0.843 67 Q CB -0.084 28.553 28.738 -0.168 0.000 0.908 67 Q HN 0.538 nan 8.270 nan 0.000 0.420 68 H N -0.165 118.990 119.070 0.142 0.000 2.352 68 H HA -0.093 4.463 4.556 -0.000 0.000 0.299 68 H C 2.043 177.561 175.328 0.317 0.000 1.097 68 H CA 1.409 57.593 56.048 0.227 0.000 1.311 68 H CB -0.576 29.332 29.762 0.244 0.000 1.377 68 H HN 0.487 nan 8.280 nan 0.000 0.504 69 A N 1.039 124.040 122.820 0.302 0.000 1.892 69 A HA -0.252 4.068 4.320 -0.000 0.000 0.218 69 A C 2.413 180.132 177.584 0.224 0.000 1.188 69 A CA 2.020 54.179 52.037 0.203 0.000 0.631 69 A CB -0.569 18.488 19.000 0.095 0.000 0.822 69 A HN 0.552 nan 8.150 nan 0.000 0.447 70 E N -0.233 120.069 120.200 0.170 0.000 2.077 70 E HA -0.149 4.201 4.350 -0.000 0.000 0.193 70 E C 2.167 178.863 176.600 0.160 0.000 0.989 70 E CA 1.336 57.818 56.400 0.136 0.000 0.800 70 E CB -0.104 29.650 29.700 0.089 0.000 0.746 70 E HN 0.569 nan 8.360 nan 0.000 0.452 71 S N 0.039 115.845 115.700 0.178 0.000 2.370 71 S HA -0.148 4.322 4.470 -0.000 0.000 0.226 71 S C 1.561 176.242 174.600 0.135 0.000 1.033 71 S CA 1.157 59.430 58.200 0.121 0.000 1.011 71 S CB -0.406 62.853 63.200 0.098 0.000 0.852 71 S HN 0.281 nan 8.310 nan 0.000 0.457 72 F N 1.932 121.981 119.950 0.166 0.000 2.102 72 F HA -0.067 4.460 4.527 -0.000 0.000 0.298 72 F C 2.572 178.517 175.800 0.241 0.000 1.105 72 F CA 1.178 59.328 58.000 0.250 0.000 1.239 72 F CB -0.254 38.794 39.000 0.079 0.000 0.991 72 F HN 0.046 nan 8.300 nan 0.000 0.474 73 R N -0.082 120.613 120.500 0.324 0.000 2.105 73 R HA -0.147 4.193 4.340 -0.000 0.000 0.239 73 R C 2.222 178.618 176.300 0.159 0.000 1.135 73 R CA 1.349 57.573 56.100 0.207 0.000 0.967 73 R CB -0.455 29.926 30.300 0.136 0.000 0.861 73 R HN 0.333 nan 8.270 nan 0.000 0.442 74 R N 0.307 120.882 120.500 0.126 0.000 2.075 74 R HA 0.029 4.369 4.340 -0.000 0.000 0.226 74 R C 2.137 178.453 176.300 0.027 0.000 1.114 74 R CA 0.924 57.062 56.100 0.063 0.000 0.972 74 R CB -0.049 30.274 30.300 0.038 0.000 0.869 74 R HN 0.185 nan 8.270 nan 0.000 0.437 75 L N -0.591 120.641 121.223 0.016 0.000 2.529 75 L HA 0.177 4.517 4.340 -0.000 0.000 0.223 75 L C -0.016 176.718 176.870 -0.227 0.000 1.113 75 L CA -0.099 54.666 54.840 -0.125 0.000 0.861 75 L CB 0.234 42.162 42.059 -0.218 0.000 1.012 75 L HN -0.023 nan 8.230 nan 0.000 0.461 76 F N 0.274 120.228 119.950 0.006 0.000 2.420 76 F HA 0.201 4.728 4.527 -0.000 0.000 0.342 76 F C 0.853 176.669 175.800 0.027 0.000 1.113 76 F CA -0.723 57.298 58.000 0.034 0.000 1.059 76 F CB 0.797 39.861 39.000 0.108 0.000 1.128 76 F HN -0.166 nan 8.300 nan 0.000 0.475 77 N N 5.219 124.005 118.700 0.144 0.000 3.331 77 N HA 0.294 5.034 4.740 -0.000 0.000 0.303 77 N C -1.571 174.012 175.510 0.123 0.000 1.326 77 N CA 0.209 53.314 53.050 0.092 0.000 1.207 77 N CB -0.340 38.164 38.487 0.029 0.000 1.477 77 N HN 0.514 nan 8.380 nan 0.000 0.541 78 L N 0.620 121.930 121.223 0.145 0.000 2.388 78 L HA 0.594 4.934 4.340 -0.000 0.000 0.264 78 L C -2.111 174.797 176.870 0.063 0.000 0.998 78 L CA -2.437 52.462 54.840 0.098 0.000 0.817 78 L CB 1.984 44.103 42.059 0.100 0.000 1.338 78 L HN 0.110 nan 8.230 nan 0.000 0.414 79 P HA -0.043 nan 4.420 nan 0.000 0.259 79 P C -1.867 175.445 177.300 0.021 0.000 1.163 79 P CA -0.613 62.500 63.100 0.021 0.000 0.760 79 P CB 0.091 31.795 31.700 0.007 0.000 0.762 80 P HA -0.240 nan 4.420 nan 0.000 0.218 80 P C 1.008 178.315 177.300 0.011 0.000 1.146 80 P CA 1.560 64.677 63.100 0.028 0.000 0.813 80 P CB 0.076 31.793 31.700 0.029 0.000 0.778 81 E N 0.997 121.198 120.200 0.001 0.000 2.481 81 E HA -0.096 4.254 4.350 -0.000 0.000 0.195 81 E C 1.294 177.876 176.600 -0.030 0.000 1.047 81 E CA 0.637 57.032 56.400 -0.009 0.000 0.867 81 E CB -0.428 29.269 29.700 -0.005 0.000 0.858 81 E HN 0.273 nan 8.360 nan 0.000 0.513 82 K N 0.585 120.962 120.400 -0.038 0.000 2.404 82 K HA 0.201 4.521 4.320 -0.000 0.000 0.194 82 K C 0.106 176.638 176.600 -0.114 0.000 1.023 82 K CA -0.021 56.221 56.287 -0.075 0.000 1.094 82 K CB 0.612 33.073 32.500 -0.066 0.000 0.841 82 K HN 0.101 nan 8.250 nan 0.000 0.523 83 I N 2.351 122.870 120.570 -0.086 0.000 2.388 83 I HA 0.189 4.359 4.170 -0.000 0.000 0.281 83 I C -0.340 175.722 176.117 -0.090 0.000 1.046 83 I CA -0.609 60.622 61.300 -0.115 0.000 1.187 83 I CB 1.050 39.028 38.000 -0.037 0.000 1.351 83 I HN -0.298 nan 8.210 nan 0.000 0.472 84 V N 4.693 124.532 119.914 -0.126 0.000 2.630 84 V HA 0.743 4.863 4.120 -0.000 0.000 0.305 84 V C 0.429 176.485 176.094 -0.064 0.000 1.046 84 V CA -0.766 61.490 62.300 -0.074 0.000 0.934 84 V CB 1.983 33.769 31.823 -0.060 0.000 1.003 84 V HN 0.777 nan 8.190 nan 0.000 0.451 85 A N 5.113 127.923 122.820 -0.016 0.000 2.273 85 A HA 0.785 5.105 4.320 -0.000 0.000 0.315 85 A C -0.704 176.896 177.584 0.027 0.000 1.256 85 A CA -0.433 51.607 52.037 0.005 0.000 0.851 85 A CB 0.334 19.348 19.000 0.022 0.000 1.172 85 A HN 0.810 nan 8.150 nan 0.000 0.508 86 L N 3.513 124.761 121.223 0.042 0.000 2.321 86 L HA 0.261 4.601 4.340 -0.000 0.000 0.272 86 L C 1.491 178.391 176.870 0.051 0.000 1.050 86 L CA -0.254 54.620 54.840 0.057 0.000 0.893 86 L CB 1.053 43.167 42.059 0.092 0.000 1.272 86 L HN 0.873 nan 8.230 nan 0.000 0.435 87 T N 0.203 114.782 114.554 0.042 0.000 3.088 87 T HA 0.075 4.425 4.350 -0.000 0.000 0.259 87 T C 1.312 176.031 174.700 0.032 0.000 1.122 87 T CA 0.869 62.993 62.100 0.040 0.000 1.095 87 T CB 0.007 68.897 68.868 0.036 0.000 0.930 87 T HN 0.882 nan 8.240 nan 0.000 0.508 88 G N 1.003 109.820 108.800 0.029 0.000 2.140 88 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.211 88 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.211 88 G C 0.273 175.183 174.900 0.016 0.000 1.013 88 G CA 0.318 45.430 45.100 0.020 0.000 0.705 88 G HN 0.592 nan 8.290 nan 0.000 0.508 89 E N -0.587 119.625 120.200 0.020 0.000 2.511 89 E HA 0.129 4.479 4.350 -0.000 0.000 0.209 89 E C 1.192 177.802 176.600 0.016 0.000 0.986 89 E CA -0.113 56.297 56.400 0.017 0.000 0.974 89 E CB 0.620 30.331 29.700 0.019 0.000 1.030 89 E HN 0.507 nan 8.360 nan 0.000 0.490 90 K N 1.534 121.946 120.400 0.019 0.000 2.102 90 K HA 0.208 4.528 4.320 -0.000 0.000 0.244 90 K C 0.281 176.890 176.600 0.016 0.000 1.021 90 K CA -0.305 55.993 56.287 0.019 0.000 0.913 90 K CB 0.952 33.467 32.500 0.026 0.000 1.062 90 K HN -0.045 nan 8.250 nan 0.000 0.485 91 S N 0.861 116.569 115.700 0.015 0.000 2.549 91 S HA 0.058 4.528 4.470 -0.000 0.000 0.286 91 S C -1.992 172.614 174.600 0.011 0.000 1.314 91 S CA -1.068 57.139 58.200 0.011 0.000 1.062 91 S CB 0.791 63.997 63.200 0.011 0.000 0.865 91 S HN 0.329 nan 8.310 nan 0.000 0.498 92 P HA -0.191 nan 4.420 nan 0.000 0.218 92 P C 1.272 178.574 177.300 0.003 0.000 1.147 92 P CA 1.499 64.599 63.100 -0.000 0.000 0.827 92 P CB 0.132 31.829 31.700 -0.006 0.000 0.778 93 E N -0.186 120.019 120.200 0.009 0.000 2.042 93 E HA -0.154 4.195 4.350 -0.000 0.000 0.189 93 E C 1.827 178.441 176.600 0.025 0.000 0.974 93 E CA 0.715 57.123 56.400 0.014 0.000 0.806 93 E CB -0.234 29.473 29.700 0.012 0.000 0.769 93 E HN 0.206 nan 8.360 nan 0.000 0.451 94 E N 0.464 120.679 120.200 0.025 0.000 2.130 94 E HA -0.218 4.132 4.350 -0.000 0.000 0.196 94 E C 2.296 178.925 176.600 0.049 0.000 0.998 94 E CA 0.948 57.368 56.400 0.033 0.000 0.806 94 E CB -0.054 29.662 29.700 0.027 0.000 0.738 94 E HN 0.193 nan 8.360 nan 0.000 0.459 95 R N 0.268 120.797 120.500 0.047 0.000 2.083 95 R HA -0.110 4.230 4.340 -0.000 0.000 0.237 95 R C 2.521 178.888 176.300 0.111 0.000 1.137 95 R CA 1.481 57.624 56.100 0.071 0.000 0.951 95 R CB -0.270 30.056 30.300 0.044 0.000 0.851 95 R HN 0.046 nan 8.270 nan 0.000 0.434 96 S N 0.653 116.397 115.700 0.073 0.000 2.402 96 S HA -0.112 4.357 4.470 -0.000 0.000 0.229 96 S C 1.755 176.434 174.600 0.132 0.000 1.021 96 S CA 1.039 59.294 58.200 0.090 0.000 0.974 96 S CB -0.003 63.215 63.200 0.031 0.000 0.800 96 S HN 0.292 nan 8.310 nan 0.000 0.484 97 K N 1.472 121.926 120.400 0.089 0.000 2.062 97 K HA 0.040 4.360 4.320 -0.000 0.000 0.205 97 K C 2.176 178.821 176.600 0.076 0.000 1.051 97 K CA 1.040 57.370 56.287 0.071 0.000 0.941 97 K CB -0.297 32.230 32.500 0.045 0.000 0.719 97 K HN 0.274 nan 8.250 nan 0.000 0.440 98 A N 1.333 124.204 122.820 0.085 0.000 1.855 98 A HA -0.186 4.134 4.320 -0.000 0.000 0.215 98 A C 2.017 179.642 177.584 0.069 0.000 1.191 98 A CA 1.254 53.327 52.037 0.061 0.000 0.613 98 A CB -1.289 17.748 19.000 0.061 0.000 0.829 98 A HN 0.732 nan 8.150 nan 0.000 0.442 99 W N 1.191 122.473 121.300 -0.030 0.000 2.331 99 W HA -0.250 4.410 4.660 -0.000 0.000 0.291 99 W C 2.127 178.627 176.519 -0.031 0.000 1.214 99 W CA 2.268 59.591 57.345 -0.036 0.000 1.228 99 W CB -0.430 29.013 29.460 -0.029 0.000 1.135 99 W HN 0.435 nan 8.180 nan 0.000 0.537 100 A N 1.842 124.764 122.820 0.170 0.000 1.845 100 A HA -0.254 4.066 4.320 -0.000 0.000 0.215 100 A C 2.149 179.714 177.584 -0.031 0.000 1.195 100 A CA 2.477 54.572 52.037 0.096 0.000 0.616 100 A CB -1.074 17.986 19.000 0.101 0.000 0.832 100 A HN 0.393 nan 8.150 nan 0.000 0.443 101 R N 0.107 120.585 120.500 -0.037 0.000 2.240 101 R HA 0.283 4.623 4.340 -0.000 0.000 0.203 101 R C 0.797 177.027 176.300 -0.116 0.000 1.011 101 R CA 0.871 56.934 56.100 -0.062 0.000 1.007 101 R CB -1.004 29.276 30.300 -0.033 0.000 0.911 101 R HN 0.350 nan 8.270 nan 0.000 0.468 102 A N 1.944 124.660 122.820 -0.173 0.000 2.498 102 A HA 0.078 4.398 4.320 -0.000 0.000 0.239 102 A C 0.661 178.070 177.584 -0.292 0.000 1.068 102 A CA 0.032 51.927 52.037 -0.237 0.000 0.766 102 A CB 0.395 19.217 19.000 -0.297 0.000 1.003 102 A HN 0.407 nan 8.150 nan 0.000 0.497 103 K N 0.646 120.895 120.400 -0.252 0.000 2.360 103 K HA 0.390 4.710 4.320 -0.000 0.000 0.196 103 K C -0.785 175.629 176.600 -0.311 0.000 1.049 103 K CA 0.379 56.522 56.287 -0.241 0.000 1.049 103 K CB 0.520 32.924 32.500 -0.160 0.000 0.881 103 K HN 0.504 nan 8.250 nan 0.000 0.542 104 V N 1.880 121.574 119.914 -0.366 0.000 2.777 104 V HA 0.352 4.472 4.120 -0.000 0.000 0.306 104 V C -1.532 174.284 176.094 -0.462 0.000 1.112 104 V CA -1.074 60.941 62.300 -0.475 0.000 0.917 104 V CB 1.878 33.346 31.823 -0.592 0.000 1.018 104 V HN 0.114 nan 8.190 nan 0.000 0.426 105 I N 5.404 125.687 120.570 -0.478 0.000 2.534 105 I HA 0.786 4.956 4.170 -0.000 0.000 0.288 105 I C -1.313 174.625 176.117 -0.299 0.000 1.077 105 I CA -0.305 60.785 61.300 -0.349 0.000 1.051 105 I CB 2.143 39.944 38.000 -0.331 0.000 1.234 105 I HN 0.297 nan 8.210 nan 0.000 0.425 106 V N 7.358 127.142 119.914 -0.217 0.000 2.417 106 V HA 0.998 5.118 4.120 -0.000 0.000 0.291 106 V C 0.241 176.327 176.094 -0.014 0.000 1.024 106 V CA 0.195 62.418 62.300 -0.128 0.000 0.861 106 V CB 0.681 32.455 31.823 -0.082 0.000 0.985 106 V HN 1.124 nan 8.190 nan 0.000 0.436 107 A N 3.280 126.115 122.820 0.025 0.000 2.588 107 A HA 0.898 5.218 4.320 -0.000 0.000 0.290 107 A C -0.167 177.473 177.584 0.092 0.000 1.136 107 A CA -0.274 51.801 52.037 0.063 0.000 0.681 107 A CB 1.715 20.761 19.000 0.075 0.000 1.282 107 A HN 0.841 nan 8.150 nan 0.000 0.421 108 T N -0.488 114.119 114.554 0.089 0.000 2.910 108 T HA 0.521 4.871 4.350 -0.000 0.000 0.293 108 T C -1.505 173.253 174.700 0.097 0.000 1.015 108 T CA -1.001 61.161 62.100 0.104 0.000 1.094 108 T CB 1.261 70.170 68.868 0.068 0.000 0.968 108 T HN 0.399 nan 8.240 nan 0.000 0.521 109 P HA -0.161 nan 4.420 nan 0.000 0.218 109 P C 1.355 178.657 177.300 0.002 0.000 1.149 109 P CA 1.055 64.224 63.100 0.115 0.000 0.817 109 P CB 0.172 31.945 31.700 0.121 0.000 0.785 110 Q N 0.174 119.936 119.800 -0.064 0.000 1.967 110 Q HA -0.191 4.149 4.340 -0.000 0.000 0.210 110 Q C 2.326 178.314 176.000 -0.020 0.000 1.005 110 Q CA 2.291 58.053 55.803 -0.068 0.000 0.862 110 Q CB -2.304 26.399 28.738 -0.057 0.000 0.939 110 Q HN 0.246 nan 8.270 nan 0.000 0.417 111 T N 0.787 115.339 114.554 -0.003 0.000 2.665 111 T HA -0.176 4.174 4.350 -0.000 0.000 0.268 111 T C 1.964 176.662 174.700 -0.003 0.000 1.035 111 T CA 1.341 63.441 62.100 -0.000 0.000 1.151 111 T CB -0.232 68.643 68.868 0.012 0.000 0.862 111 T HN 0.139 nan 8.240 nan 0.000 0.438 112 I N 1.352 121.929 120.570 0.011 0.000 2.423 112 I HA -0.073 4.097 4.170 -0.000 0.000 0.254 112 I C 2.377 178.500 176.117 0.010 0.000 1.151 112 I CA 1.509 62.800 61.300 -0.015 0.000 1.421 112 I CB -0.580 37.427 38.000 0.012 0.000 1.079 112 I HN 0.515 nan 8.210 nan 0.000 0.431 113 E N 0.118 120.364 120.200 0.076 0.000 2.028 113 E HA -0.236 4.114 4.350 -0.000 0.000 0.191 113 E C 1.972 178.634 176.600 0.103 0.000 0.988 113 E CA 1.315 57.830 56.400 0.192 0.000 0.799 113 E CB -0.015 29.783 29.700 0.164 0.000 0.755 113 E HN 0.436 nan 8.360 nan 0.000 0.447 114 N N 1.334 120.043 118.700 0.015 0.000 2.011 114 N HA -0.192 4.548 4.740 -0.000 0.000 0.199 114 N C 1.338 176.832 175.510 -0.026 0.000 1.047 114 N CA 1.959 54.997 53.050 -0.020 0.000 0.863 114 N CB -0.624 37.845 38.487 -0.030 0.000 1.056 114 N HN 0.207 nan 8.380 nan 0.000 0.427 115 D N -0.603 119.767 120.400 -0.051 0.000 2.311 115 D HA -0.084 4.556 4.640 -0.000 0.000 0.212 115 D C 1.623 177.856 176.300 -0.113 0.000 0.972 115 D CA 0.274 54.217 54.000 -0.096 0.000 0.887 115 D CB -0.081 40.631 40.800 -0.147 0.000 0.915 115 D HN 0.110 nan 8.370 nan 0.000 0.497 116 L N -0.205 120.986 121.223 -0.053 0.000 2.162 116 L HA 0.071 4.411 4.340 -0.000 0.000 0.205 116 L C 1.761 178.670 176.870 0.065 0.000 1.086 116 L CA 1.163 55.993 54.840 -0.017 0.000 0.778 116 L CB -0.236 41.864 42.059 0.068 0.000 0.928 116 L HN 0.077 nan 8.230 nan 0.000 0.446 117 L N -0.994 120.281 121.223 0.087 0.000 2.007 117 L HA -0.104 4.236 4.340 -0.000 0.000 0.205 117 L C 2.549 179.420 176.870 0.002 0.000 1.073 117 L CA 1.150 56.018 54.840 0.047 0.000 0.744 117 L CB -0.961 41.076 42.059 -0.037 0.000 0.898 117 L HN 0.242 nan 8.230 nan 0.000 0.435 118 A N -0.074 122.734 122.820 -0.021 0.000 2.139 118 A HA -0.083 4.237 4.320 -0.000 0.000 0.221 118 A C 1.821 179.386 177.584 -0.031 0.000 1.159 118 A CA 1.331 53.350 52.037 -0.029 0.000 0.662 118 A CB -1.011 17.967 19.000 -0.037 0.000 0.796 118 A HN 0.690 nan 8.150 nan 0.000 0.463 119 G N -1.537 107.241 108.800 -0.036 0.000 2.143 119 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.248 119 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.248 119 G C 0.854 175.714 174.900 -0.068 0.000 0.991 119 G CA 0.659 45.733 45.100 -0.043 0.000 0.689 119 G HN 0.626 nan 8.290 nan 0.000 0.522 120 R N -0.266 120.177 120.500 -0.094 0.000 2.153 120 R HA 0.292 4.632 4.340 -0.000 0.000 0.218 120 R C 1.520 177.707 176.300 -0.189 0.000 1.072 120 R CA 1.456 57.490 56.100 -0.110 0.000 0.990 120 R CB 0.024 30.263 30.300 -0.102 0.000 0.889 120 R HN 0.782 nan 8.270 nan 0.000 0.452 121 I N -3.878 116.511 120.570 -0.302 0.000 2.865 121 I HA 0.489 4.659 4.170 -0.000 0.000 0.302 121 I C -0.990 174.898 176.117 -0.381 0.000 1.140 121 I CA -1.066 59.902 61.300 -0.553 0.000 1.021 121 I CB 2.527 39.784 38.000 -1.239 0.000 1.233 121 I HN -0.296 nan 8.210 nan 0.000 0.427 122 S N 4.948 120.501 115.700 -0.244 0.000 2.594 122 S HA 0.541 5.011 4.470 -0.000 0.000 0.296 122 S C -0.309 174.369 174.600 0.129 0.000 1.124 122 S CA -0.881 57.289 58.200 -0.049 0.000 1.011 122 S CB 1.357 64.568 63.200 0.018 0.000 1.016 122 S HN 0.766 nan 8.310 nan 0.000 0.485 123 L N 3.001 124.301 121.223 0.128 0.000 2.796 123 L HA 0.565 4.905 4.340 -0.000 0.000 0.235 123 L C 0.423 177.427 176.870 0.223 0.000 1.344 123 L CA -0.381 54.640 54.840 0.301 0.000 1.245 123 L CB -0.751 41.493 42.059 0.309 0.000 1.556 123 L HN 0.598 nan 8.230 nan 0.000 0.423 124 E N -1.580 118.714 120.200 0.157 0.000 2.389 124 E HA 0.008 4.358 4.350 -0.000 0.000 0.199 124 E C 0.481 177.120 176.600 0.065 0.000 0.978 124 E CA 0.035 56.473 56.400 0.064 0.000 0.912 124 E CB 0.210 29.932 29.700 0.037 0.000 0.907 124 E HN 0.352 nan 8.360 nan 0.000 0.494 125 D N 0.721 121.188 120.400 0.111 0.000 2.349 125 D HA 0.061 4.701 4.640 -0.000 0.000 0.214 125 D C -0.360 175.980 176.300 0.068 0.000 1.063 125 D CA 0.078 54.120 54.000 0.070 0.000 0.847 125 D CB 0.738 41.571 40.800 0.055 0.000 0.933 125 D HN -0.015 nan 8.370 nan 0.000 0.513 126 V N 2.345 122.346 119.914 0.146 0.000 2.370 126 V HA -0.009 4.111 4.120 -0.000 0.000 0.257 126 V C 1.448 177.661 176.094 0.198 0.000 1.064 126 V CA 0.104 62.495 62.300 0.152 0.000 0.975 126 V CB 0.580 32.558 31.823 0.258 0.000 1.067 126 V HN 0.120 nan 8.190 nan 0.000 0.485 127 S N 4.433 120.185 115.700 0.088 0.000 2.607 127 S HA 0.231 4.701 4.470 -0.000 0.000 0.224 127 S C 0.061 174.723 174.600 0.104 0.000 0.969 127 S CA -0.023 58.220 58.200 0.072 0.000 0.927 127 S CB -0.188 63.064 63.200 0.086 0.000 0.772 127 S HN 0.597 nan 8.310 nan 0.000 0.533 128 L N -0.249 121.022 121.223 0.080 0.000 2.735 128 L HA 0.539 4.878 4.340 -0.000 0.000 0.258 128 L C -2.087 174.667 176.870 -0.194 0.000 0.920 128 L CA -0.461 54.381 54.840 0.004 0.000 0.958 128 L CB 1.341 43.426 42.059 0.042 0.000 1.499 128 L HN 0.127 nan 8.230 nan 0.000 0.441 129 I N 5.111 125.472 120.570 -0.347 0.000 2.465 129 I HA 0.589 4.759 4.170 -0.000 0.000 0.291 129 I C -0.934 174.939 176.117 -0.407 0.000 1.014 129 I CA -1.043 59.930 61.300 -0.545 0.000 1.093 129 I CB 2.171 39.616 38.000 -0.926 0.000 1.267 129 I HN 0.329 nan 8.210 nan 0.000 0.431 130 V N 6.721 126.382 119.914 -0.422 0.000 2.378 130 V HA 0.361 4.481 4.120 -0.000 0.000 0.288 130 V C -0.653 175.206 176.094 -0.391 0.000 1.016 130 V CA -0.495 61.655 62.300 -0.250 0.000 0.840 130 V CB 1.366 33.127 31.823 -0.104 0.000 0.994 130 V HN 0.370 nan 8.190 nan 0.000 0.431 131 F N 2.867 122.685 119.950 -0.219 0.000 2.350 131 F HA 0.386 4.913 4.527 -0.000 0.000 0.365 131 F C 0.594 176.308 175.800 -0.144 0.000 1.122 131 F CA -0.473 57.310 58.000 -0.361 0.000 1.139 131 F CB 0.769 39.427 39.000 -0.571 0.000 1.220 131 F HN 0.426 nan 8.300 nan 0.000 0.499 132 D N 2.780 123.245 120.400 0.109 0.000 2.345 132 D HA 0.092 4.732 4.640 -0.000 0.000 0.247 132 D C 0.263 176.725 176.300 0.269 0.000 1.108 132 D CA 0.320 54.424 54.000 0.173 0.000 0.894 132 D CB 0.529 41.440 40.800 0.184 0.000 1.203 132 D HN 0.661 nan 8.370 nan 0.000 0.430 133 E N 1.158 121.504 120.200 0.243 0.000 2.389 133 E HA -0.286 4.064 4.350 -0.000 0.000 0.243 133 E C 0.693 177.286 176.600 -0.012 0.000 1.154 133 E CA 0.392 56.912 56.400 0.200 0.000 0.723 133 E CB -1.294 28.492 29.700 0.143 0.000 1.261 133 E HN 0.523 nan 8.360 nan 0.000 0.390 134 A N 0.326 123.231 122.820 0.142 0.000 2.032 134 A HA -0.266 4.054 4.320 -0.000 0.000 0.221 134 A C 1.655 179.239 177.584 0.001 0.000 1.165 134 A CA 2.063 54.144 52.037 0.073 0.000 0.645 134 A CB -0.926 18.106 19.000 0.054 0.000 0.807 134 A HN 0.734 nan 8.150 nan 0.000 0.453 135 H N -0.231 118.880 119.070 0.069 0.000 2.518 135 H HA -0.069 4.487 4.556 -0.000 0.000 0.289 135 H C 1.574 176.901 175.328 -0.003 0.000 1.051 135 H CA 1.125 57.189 56.048 0.026 0.000 1.280 135 H CB -0.311 29.462 29.762 0.019 0.000 1.380 135 H HN 0.652 nan 8.280 nan 0.000 0.566 136 R N 1.101 121.288 120.500 -0.522 0.000 2.449 136 R HA 0.394 4.734 4.340 -0.000 0.000 0.262 136 R C 0.239 176.374 176.300 -0.275 0.000 1.006 136 R CA 0.387 56.203 56.100 -0.473 0.000 1.104 136 R CB 0.168 29.976 30.300 -0.820 0.000 1.206 136 R HN 0.295 nan 8.270 nan 0.000 0.538 137 A N 1.618 124.442 122.820 0.007 0.000 3.202 137 A HA 0.369 4.689 4.320 -0.000 0.000 0.258 137 A C 0.302 177.925 177.584 0.065 0.000 1.572 137 A CA -0.503 51.623 52.037 0.148 0.000 1.241 137 A CB -0.287 18.740 19.000 0.045 0.000 1.127 137 A HN 0.301 nan 8.150 nan 0.000 0.648 138 V N -3.784 116.160 119.914 0.050 0.000 3.126 138 V HA 0.960 5.080 4.120 -0.000 0.000 0.314 138 V C 1.018 177.154 176.094 0.071 0.000 1.138 138 V CA -0.177 62.150 62.300 0.045 0.000 1.034 138 V CB 0.692 32.527 31.823 0.020 0.000 1.075 138 V HN 1.668 nan 8.190 nan 0.000 0.442 139 G N 1.519 110.354 108.800 0.058 0.000 2.665 139 G HA2 -0.448 3.512 3.960 -0.000 0.000 0.326 139 G HA3 -0.448 3.512 3.960 -0.000 0.000 0.326 139 G C 0.890 175.839 174.900 0.082 0.000 1.231 139 G CA 1.472 46.608 45.100 0.061 0.000 0.992 139 G HN 1.174 nan 8.290 nan 0.000 0.549 140 N N -1.747 117.007 118.700 0.089 0.000 2.368 140 N HA 0.048 4.788 4.740 -0.000 0.000 0.176 140 N C 0.824 176.402 175.510 0.112 0.000 1.021 140 N CA -0.037 53.062 53.050 0.083 0.000 0.888 140 N CB 0.098 38.618 38.487 0.055 0.000 0.995 140 N HN 0.445 nan 8.380 nan 0.000 0.437 141 Y N 1.509 121.809 120.300 -0.001 0.000 3.119 141 Y HA -0.231 4.319 4.550 -0.000 0.000 0.348 141 Y C 1.372 177.302 175.900 0.050 0.000 1.267 141 Y CA 0.215 58.299 58.100 -0.026 0.000 1.578 141 Y CB 0.422 38.825 38.460 -0.095 0.000 1.198 141 Y HN 0.120 nan 8.280 nan 0.000 0.615 142 A N 5.828 128.375 122.820 -0.455 0.000 2.032 142 A HA -0.257 4.063 4.320 -0.000 0.000 0.221 142 A C 2.036 179.736 177.584 0.193 0.000 1.165 142 A CA 1.878 53.839 52.037 -0.127 0.000 0.645 142 A CB -1.165 17.690 19.000 -0.242 0.000 0.807 142 A HN 0.997 nan 8.150 nan 0.000 0.453 143 Y N -1.392 118.974 120.300 0.111 0.000 2.081 143 Y HA -0.262 4.288 4.550 -0.000 0.000 0.280 143 Y C 2.739 178.724 175.900 0.142 0.000 1.163 143 Y CA 0.957 59.226 58.100 0.282 0.000 1.135 143 Y CB -0.398 38.262 38.460 0.333 0.000 0.970 143 Y HN 0.251 nan 8.280 nan 0.000 0.498 144 V N 0.357 120.448 119.914 0.295 0.000 2.282 144 V HA -0.340 3.780 4.120 -0.000 0.000 0.249 144 V C 2.096 178.300 176.094 0.184 0.000 1.057 144 V CA 2.163 64.562 62.300 0.165 0.000 1.032 144 V CB -0.713 31.201 31.823 0.152 0.000 0.645 144 V HN 0.458 nan 8.190 nan 0.000 0.447 145 F N 0.914 120.923 119.950 0.099 0.000 2.075 145 F HA -0.150 4.377 4.527 -0.000 0.000 0.297 145 F C 2.038 177.905 175.800 0.112 0.000 1.113 145 F CA 2.246 60.293 58.000 0.078 0.000 1.218 145 F CB -0.621 38.407 39.000 0.046 0.000 0.984 145 F HN 0.205 nan 8.300 nan 0.000 0.472 146 I N 0.754 121.213 120.570 -0.184 0.000 2.194 146 I HA -0.357 3.813 4.170 -0.000 0.000 0.246 146 I C 2.740 178.831 176.117 -0.043 0.000 1.093 146 I CA 1.375 62.538 61.300 -0.229 0.000 1.355 146 I CB -1.199 36.862 38.000 0.101 0.000 1.046 146 I HN 0.293 nan 8.210 nan 0.000 0.413 147 A N 0.758 123.649 122.820 0.117 0.000 1.908 147 A HA -0.269 4.051 4.320 -0.000 0.000 0.218 147 A C 2.481 180.114 177.584 0.082 0.000 1.181 147 A CA 1.980 54.106 52.037 0.148 0.000 0.627 147 A CB -0.695 18.286 19.000 -0.031 0.000 0.818 147 A HN 0.377 nan 8.150 nan 0.000 0.445 148 R N -0.661 119.834 120.500 -0.009 0.000 2.070 148 R HA -0.149 4.191 4.340 -0.000 0.000 0.233 148 R C 2.098 178.362 176.300 -0.060 0.000 1.137 148 R CA 1.593 57.683 56.100 -0.016 0.000 0.945 148 R CB -0.267 30.041 30.300 0.014 0.000 0.845 148 R HN 0.481 nan 8.270 nan 0.000 0.430 149 E N 0.096 120.171 120.200 -0.209 0.000 2.033 149 E HA -0.261 4.089 4.350 -0.000 0.000 0.199 149 E C 1.762 178.335 176.600 -0.045 0.000 1.011 149 E CA 1.486 57.772 56.400 -0.190 0.000 0.815 149 E CB -0.823 28.634 29.700 -0.405 0.000 0.755 149 E HN 0.397 nan 8.360 nan 0.000 0.451 150 Y N 1.904 122.134 120.300 -0.117 0.000 2.053 150 Y HA -0.305 4.245 4.550 -0.000 0.000 0.277 150 Y C 2.484 178.366 175.900 -0.030 0.000 1.159 150 Y CA 2.482 60.554 58.100 -0.047 0.000 1.125 150 Y CB -0.362 38.097 38.460 -0.003 0.000 0.969 150 Y HN -0.018 nan 8.280 nan 0.000 0.492 151 K N 0.139 120.537 120.400 -0.002 0.000 2.228 151 K HA -0.272 4.048 4.320 -0.000 0.000 0.205 151 K C 2.043 178.568 176.600 -0.125 0.000 1.045 151 K CA 2.082 58.321 56.287 -0.081 0.000 0.931 151 K CB -0.155 32.351 32.500 0.010 0.000 0.727 151 K HN 0.607 nan 8.250 nan 0.000 0.458 152 R N -0.539 119.899 120.500 -0.103 0.000 2.250 152 R HA 0.014 4.354 4.340 -0.000 0.000 0.194 152 R C 1.453 177.694 176.300 -0.098 0.000 0.927 152 R CA 0.392 56.441 56.100 -0.084 0.000 1.052 152 R CB -0.027 30.248 30.300 -0.043 0.000 1.055 152 R HN 0.227 nan 8.270 nan 0.000 0.537 153 Q N 0.728 120.460 119.800 -0.114 0.000 2.188 153 Q HA 0.440 4.779 4.340 -0.000 0.000 0.212 153 Q C -0.660 175.263 176.000 -0.127 0.000 0.846 153 Q CA -0.341 55.407 55.803 -0.091 0.000 0.989 153 Q CB 1.282 29.993 28.738 -0.045 0.000 1.114 153 Q HN 0.258 nan 8.270 nan 0.000 0.488 154 A N 1.074 123.741 122.820 -0.254 0.000 2.304 154 A HA 0.378 4.698 4.320 -0.000 0.000 0.323 154 A C 0.329 177.780 177.584 -0.222 0.000 1.195 154 A CA -0.727 51.126 52.037 -0.306 0.000 0.826 154 A CB 1.073 19.598 19.000 -0.793 0.000 1.184 154 A HN 0.286 nan 8.150 nan 0.000 0.496 155 K N 1.393 121.714 120.400 -0.131 0.000 1.991 155 K HA -0.151 4.168 4.320 -0.000 0.000 0.212 155 K C -0.319 176.198 176.600 -0.138 0.000 1.049 155 K CA 1.944 58.172 56.287 -0.098 0.000 0.932 155 K CB -0.169 32.303 32.500 -0.047 0.000 0.717 155 K HN 0.793 nan 8.250 nan 0.000 0.441 156 N N 1.530 120.125 118.700 -0.175 0.000 2.696 156 N HA 0.195 4.935 4.740 -0.000 0.000 0.246 156 N C -2.784 172.576 175.510 -0.250 0.000 1.057 156 N CA -1.294 51.589 53.050 -0.277 0.000 0.867 156 N CB 1.517 39.701 38.487 -0.505 0.000 1.141 156 N HN 0.063 nan 8.380 nan 0.000 0.517 157 P HA 0.285 nan 4.420 nan 0.000 0.282 157 P C -0.921 176.404 177.300 0.042 0.000 1.249 157 P CA -0.470 62.531 63.100 -0.165 0.000 0.806 157 P CB 1.796 33.250 31.700 -0.410 0.000 0.984 158 L N 2.650 124.036 121.223 0.271 0.000 2.562 158 L HA 0.375 4.715 4.340 -0.000 0.000 0.266 158 L C -1.436 175.569 176.870 0.225 0.000 0.949 158 L CA -0.922 54.029 54.840 0.185 0.000 0.879 158 L CB 2.348 44.478 42.059 0.119 0.000 1.278 158 L HN 0.074 nan 8.230 nan 0.000 0.404 159 V N 5.792 125.822 119.914 0.193 0.000 2.409 159 V HA 0.522 4.642 4.120 -0.000 0.000 0.291 159 V C -0.251 175.926 176.094 0.138 0.000 1.020 159 V CA -0.468 61.940 62.300 0.179 0.000 0.848 159 V CB 1.988 33.948 31.823 0.228 0.000 0.990 159 V HN 0.423 nan 8.190 nan 0.000 0.430 160 I N 4.394 125.042 120.570 0.129 0.000 2.418 160 I HA 0.544 4.714 4.170 -0.000 0.000 0.287 160 I C 0.544 176.748 176.117 0.145 0.000 1.008 160 I CA -0.105 61.261 61.300 0.109 0.000 1.104 160 I CB 1.723 39.772 38.000 0.081 0.000 1.264 160 I HN 0.685 nan 8.210 nan 0.000 0.438 161 G N 7.079 115.949 108.800 0.118 0.000 2.416 161 G HA2 0.711 4.671 3.960 -0.000 0.000 0.324 161 G HA3 0.711 4.671 3.960 -0.000 0.000 0.324 161 G C -0.857 174.102 174.900 0.098 0.000 1.194 161 G CA -0.454 44.717 45.100 0.118 0.000 0.922 161 G HN 0.445 nan 8.290 nan 0.000 0.467 162 L N 1.448 122.739 121.223 0.113 0.000 2.329 162 L HA 0.830 5.170 4.340 -0.000 0.000 0.279 162 L C 0.254 177.216 176.870 0.154 0.000 1.014 162 L CA -0.675 54.230 54.840 0.109 0.000 0.814 162 L CB 2.372 44.486 42.059 0.091 0.000 1.257 162 L HN 0.596 nan 8.230 nan 0.000 0.424 163 T N 0.379 115.015 114.554 0.136 0.000 2.907 163 T HA 0.427 4.777 4.350 -0.000 0.000 0.344 163 T C -0.004 174.736 174.700 0.067 0.000 1.675 163 T CA 0.240 62.443 62.100 0.171 0.000 1.076 163 T CB 1.549 70.575 68.868 0.264 0.000 1.483 163 T HN 0.616 nan 8.240 nan 0.000 0.487 164 A N 1.791 124.614 122.820 0.004 0.000 2.251 164 A HA 0.635 4.955 4.320 -0.000 0.000 0.209 164 A C 0.809 178.367 177.584 -0.043 0.000 1.187 164 A CA 0.837 52.853 52.037 -0.035 0.000 0.823 164 A CB -0.236 18.734 19.000 -0.051 0.000 0.846 164 A HN 1.349 nan 8.150 nan 0.000 0.486 165 S N -1.083 114.584 115.700 -0.056 0.000 2.605 165 S HA 0.296 4.766 4.470 -0.000 0.000 0.324 165 S C -2.776 171.818 174.600 -0.009 0.000 0.978 165 S CA -0.241 57.946 58.200 -0.023 0.000 0.864 165 S CB 1.223 64.388 63.200 -0.058 0.000 1.095 165 S HN -0.005 nan 8.310 nan 0.000 0.460 166 P HA 0.273 nan 4.420 nan 0.000 0.230 166 P C 0.798 178.145 177.300 0.079 0.000 1.158 166 P CA 1.190 64.343 63.100 0.088 0.000 0.769 166 P CB -0.143 31.593 31.700 0.059 0.000 0.807 167 G N -0.786 108.036 108.800 0.038 0.000 2.356 167 G HA2 0.176 4.136 3.960 -0.000 0.000 0.300 167 G HA3 0.176 4.136 3.960 -0.000 0.000 0.300 167 G C 0.041 174.945 174.900 0.006 0.000 1.331 167 G CA 0.169 45.286 45.100 0.029 0.000 0.905 167 G HN -0.032 nan 8.290 nan 0.000 0.587 168 S N -1.862 113.841 115.700 0.004 0.000 2.578 168 S HA 0.429 4.899 4.470 -0.000 0.000 0.228 168 S C 0.668 175.265 174.600 -0.005 0.000 1.022 168 S CA 0.795 58.992 58.200 -0.004 0.000 0.967 168 S CB 0.905 64.102 63.200 -0.005 0.000 0.914 168 S HN 0.769 nan 8.310 nan 0.000 0.515 169 T N 3.745 118.299 114.554 -0.000 0.000 2.855 169 T HA 0.455 4.805 4.350 -0.000 0.000 0.281 169 T C -2.189 172.509 174.700 -0.003 0.000 1.007 169 T CA -1.543 60.556 62.100 -0.002 0.000 1.009 169 T CB 1.847 70.717 68.868 0.003 0.000 0.983 169 T HN -0.171 nan 8.240 nan 0.000 0.455 170 P HA -0.110 nan 4.420 nan 0.000 0.215 170 P C 1.157 178.456 177.300 -0.002 0.000 1.157 170 P CA 1.107 64.203 63.100 -0.008 0.000 0.874 170 P CB 0.295 31.989 31.700 -0.009 0.000 0.790 171 E N -0.410 119.791 120.200 0.000 0.000 2.070 171 E HA -0.223 4.127 4.350 -0.000 0.000 0.197 171 E C 1.973 178.578 176.600 0.007 0.000 1.004 171 E CA 1.428 57.831 56.400 0.004 0.000 0.805 171 E CB -0.620 29.083 29.700 0.005 0.000 0.744 171 E HN 0.071 nan 8.360 nan 0.000 0.451 172 K N 0.438 120.843 120.400 0.009 0.000 2.026 172 K HA -0.060 4.260 4.320 -0.000 0.000 0.208 172 K C 1.878 178.488 176.600 0.017 0.000 1.048 172 K CA 1.119 57.415 56.287 0.015 0.000 0.929 172 K CB -0.313 32.198 32.500 0.018 0.000 0.713 172 K HN 0.114 nan 8.250 nan 0.000 0.439 173 I N 0.009 120.586 120.570 0.012 0.000 2.179 173 I HA -0.311 3.859 4.170 -0.000 0.000 0.242 173 I C 2.188 178.309 176.117 0.007 0.000 1.088 173 I CA 0.987 62.294 61.300 0.011 0.000 1.357 173 I CB -0.293 37.707 38.000 0.001 0.000 1.051 173 I HN 0.206 nan 8.210 nan 0.000 0.409 174 M N 0.237 119.839 119.600 0.004 0.000 2.108 174 M HA -0.259 4.221 4.480 -0.000 0.000 0.261 174 M C 2.260 178.563 176.300 0.005 0.000 1.066 174 M CA 1.750 57.053 55.300 0.003 0.000 1.107 174 M CB -1.185 31.417 32.600 0.003 0.000 1.356 174 M HN 0.299 nan 8.290 nan 0.000 0.406 175 E N -0.148 120.057 120.200 0.008 0.000 2.058 175 E HA -0.183 4.167 4.350 -0.000 0.000 0.194 175 E C 2.000 178.603 176.600 0.004 0.000 0.997 175 E CA 1.857 58.263 56.400 0.010 0.000 0.801 175 E CB 0.014 29.723 29.700 0.015 0.000 0.746 175 E HN 0.323 nan 8.360 nan 0.000 0.450 176 V N 0.234 120.149 119.914 0.003 0.000 2.379 176 V HA -0.165 3.955 4.120 -0.000 0.000 0.245 176 V C 2.126 178.203 176.094 -0.027 0.000 1.044 176 V CA 1.383 63.675 62.300 -0.013 0.000 1.036 176 V CB -0.382 31.441 31.823 0.000 0.000 0.664 176 V HN 0.321 nan 8.190 nan 0.000 0.453 177 I N 1.189 121.752 120.570 -0.012 0.000 2.163 177 I HA -0.227 3.943 4.170 -0.000 0.000 0.243 177 I C 2.501 178.612 176.117 -0.011 0.000 1.085 177 I CA 2.154 63.447 61.300 -0.010 0.000 1.347 177 I CB -0.659 37.341 38.000 -0.001 0.000 1.044 177 I HN 0.418 nan 8.210 nan 0.000 0.408 178 N N 0.841 119.537 118.700 -0.006 0.000 2.216 178 N HA -0.121 4.619 4.740 -0.000 0.000 0.183 178 N C 1.504 177.009 175.510 -0.008 0.000 1.017 178 N CA 1.177 54.226 53.050 -0.002 0.000 0.861 178 N CB -0.563 37.926 38.487 0.005 0.000 0.986 178 N HN 0.472 nan 8.380 nan 0.000 0.428 179 N N 0.391 119.080 118.700 -0.018 0.000 2.223 179 N HA -0.007 4.733 4.740 -0.000 0.000 0.185 179 N C 1.015 176.483 175.510 -0.070 0.000 1.016 179 N CA 0.545 53.578 53.050 -0.028 0.000 0.863 179 N CB 0.096 38.569 38.487 -0.025 0.000 0.983 179 N HN 0.153 nan 8.380 nan 0.000 0.429 180 L N -0.488 120.675 121.223 -0.100 0.000 2.640 180 L HA 0.275 4.615 4.340 -0.000 0.000 0.230 180 L C 0.790 177.640 176.870 -0.034 0.000 1.123 180 L CA -0.284 54.473 54.840 -0.138 0.000 0.900 180 L CB 0.279 42.197 42.059 -0.235 0.000 1.146 180 L HN 0.087 nan 8.230 nan 0.000 0.484 181 G N 1.669 110.463 108.800 -0.010 0.000 2.314 181 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.292 181 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.292 181 G C 0.111 175.025 174.900 0.025 0.000 1.059 181 G CA -0.289 44.821 45.100 0.015 0.000 0.982 181 G HN 0.158 nan 8.290 nan 0.000 0.505 182 I N 0.177 120.756 120.570 0.014 0.000 2.452 182 I HA 0.191 4.361 4.170 -0.000 0.000 0.287 182 I C 1.234 177.377 176.117 0.044 0.000 1.079 182 I CA -0.044 61.273 61.300 0.028 0.000 1.387 182 I CB 1.345 39.352 38.000 0.011 0.000 1.404 182 I HN 0.324 nan 8.210 nan 0.000 0.522 183 E N 5.394 125.635 120.200 0.068 0.000 2.364 183 E HA 0.049 4.399 4.350 -0.000 0.000 0.196 183 E C 0.042 176.735 176.600 0.154 0.000 0.990 183 E CA 0.836 57.286 56.400 0.084 0.000 0.886 183 E CB 0.419 30.162 29.700 0.071 0.000 0.866 183 E HN 0.628 nan 8.360 nan 0.000 0.493 184 H N -1.157 117.924 119.070 0.019 0.000 3.079 184 H HA 0.377 4.933 4.556 -0.000 0.000 0.356 184 H C -1.321 174.026 175.328 0.031 0.000 1.221 184 H CA -0.719 55.342 56.048 0.021 0.000 1.185 184 H CB 0.911 30.684 29.762 0.018 0.000 1.882 184 H HN -0.068 nan 8.280 nan 0.000 0.543 185 I N 2.885 123.098 120.570 -0.596 0.000 2.509 185 I HA 0.127 4.297 4.170 -0.000 0.000 0.293 185 I C -0.703 175.070 176.117 -0.573 0.000 1.020 185 I CA -0.617 60.435 61.300 -0.414 0.000 1.088 185 I CB 2.225 40.132 38.000 -0.156 0.000 1.267 185 I HN 0.506 nan 8.210 nan 0.000 0.430 186 E N 5.434 125.471 120.200 -0.272 0.000 2.155 186 E HA 0.328 4.678 4.350 -0.000 0.000 0.264 186 E C -1.764 174.864 176.600 0.047 0.000 0.886 186 E CA -0.405 55.937 56.400 -0.096 0.000 0.752 186 E CB 1.091 30.779 29.700 -0.020 0.000 1.133 186 E HN 0.372 nan 8.360 nan 0.000 0.414 187 Y N 3.603 123.867 120.300 -0.060 0.000 2.509 187 Y HA 0.773 5.323 4.550 -0.000 0.000 0.341 187 Y C -0.943 174.937 175.900 -0.033 0.000 1.038 187 Y CA -0.908 57.167 58.100 -0.043 0.000 1.089 187 Y CB 1.366 39.800 38.460 -0.042 0.000 1.241 187 Y HN 0.488 nan 8.280 nan 0.000 0.468 188 R N 1.725 121.836 120.500 -0.648 0.000 2.629 188 R HA 0.521 4.861 4.340 -0.000 0.000 0.266 188 R C -1.579 174.329 176.300 -0.653 0.000 1.051 188 R CA -0.494 55.334 56.100 -0.454 0.000 0.895 188 R CB 1.820 31.933 30.300 -0.311 0.000 1.246 188 R HN 0.802 nan 8.270 nan 0.000 0.459 189 S N 0.107 115.590 115.700 -0.363 0.000 2.638 189 S HA 0.309 4.779 4.470 -0.000 0.000 0.302 189 S C 0.606 175.100 174.600 -0.177 0.000 1.096 189 S CA -0.596 57.446 58.200 -0.263 0.000 0.953 189 S CB 1.804 64.948 63.200 -0.093 0.000 1.107 189 S HN 0.725 nan 8.310 nan 0.000 0.503 190 E N 0.696 120.820 120.200 -0.127 0.000 2.273 190 E HA -0.196 4.154 4.350 -0.000 0.000 0.198 190 E C 0.749 177.319 176.600 -0.050 0.000 1.002 190 E CA 1.432 57.781 56.400 -0.085 0.000 0.828 190 E CB -0.231 29.444 29.700 -0.042 0.000 0.747 190 E HN 0.724 nan 8.360 nan 0.000 0.491 191 N N -0.540 118.137 118.700 -0.039 0.000 2.236 191 N HA 0.069 4.809 4.740 -0.000 0.000 0.196 191 N C -0.870 174.636 175.510 -0.006 0.000 1.114 191 N CA -0.092 52.951 53.050 -0.011 0.000 0.859 191 N CB 0.829 39.319 38.487 0.005 0.000 0.982 191 N HN -0.113 nan 8.380 nan 0.000 0.493 192 S N 2.302 117.987 115.700 -0.025 0.000 2.546 192 S HA 0.007 4.477 4.470 -0.000 0.000 0.290 192 S C -1.298 173.313 174.600 0.018 0.000 1.290 192 S CA -0.814 57.385 58.200 -0.002 0.000 1.069 192 S CB 0.820 64.002 63.200 -0.028 0.000 0.846 192 S HN 0.269 nan 8.310 nan 0.000 0.495 193 P HA -0.190 nan 4.420 nan 0.000 0.220 193 P C 0.745 178.083 177.300 0.063 0.000 1.144 193 P CA 1.072 64.193 63.100 0.036 0.000 0.800 193 P CB 0.225 31.946 31.700 0.035 0.000 0.772 194 D N -0.500 119.953 120.400 0.088 0.000 2.224 194 D HA -0.066 4.574 4.640 -0.000 0.000 0.205 194 D C 1.756 178.230 176.300 0.291 0.000 0.965 194 D CA 0.724 54.824 54.000 0.167 0.000 0.852 194 D CB -0.018 40.870 40.800 0.146 0.000 0.947 194 D HN 0.012 nan 8.370 nan 0.000 0.494 195 V N -0.118 119.889 119.914 0.156 0.000 3.212 195 V HA 0.103 4.223 4.120 -0.000 0.000 0.244 195 V C 2.313 178.523 176.094 0.192 0.000 1.151 195 V CA 0.046 62.457 62.300 0.184 0.000 1.119 195 V CB -0.067 31.631 31.823 -0.207 0.000 0.838 195 V HN 0.031 nan 8.190 nan 0.000 0.470 196 R N 0.984 121.525 120.500 0.067 0.000 2.159 196 R HA -0.240 4.100 4.340 -0.000 0.000 0.252 196 R C -0.184 176.105 176.300 -0.020 0.000 1.144 196 R CA 2.394 58.507 56.100 0.021 0.000 0.961 196 R CB -2.084 28.217 30.300 0.002 0.000 0.877 196 R HN 0.442 nan 8.270 nan 0.000 0.444 197 P HA -0.155 nan 4.420 nan 0.000 0.220 197 P C 0.302 177.363 177.300 -0.399 0.000 1.144 197 P CA 1.369 64.269 63.100 -0.334 0.000 0.800 197 P CB -0.016 31.345 31.700 -0.564 0.000 0.772 198 Y N -2.426 117.916 120.300 0.069 0.000 2.467 198 Y HA 0.178 4.728 4.550 -0.000 0.000 0.250 198 Y C 0.632 176.562 175.900 0.052 0.000 1.155 198 Y CA -0.373 57.773 58.100 0.076 0.000 1.249 198 Y CB 0.076 38.633 38.460 0.162 0.000 1.146 198 Y HN -0.305 nan 8.280 nan 0.000 0.524 199 V N 1.214 121.206 119.914 0.129 0.000 2.384 199 V HA 0.275 4.395 4.120 -0.000 0.000 0.287 199 V C -0.135 175.981 176.094 0.038 0.000 1.020 199 V CA -1.691 60.656 62.300 0.079 0.000 0.850 199 V CB 1.234 33.090 31.823 0.053 0.000 0.987 199 V HN 0.064 nan 8.190 nan 0.000 0.436 200 K N 2.859 123.277 120.400 0.030 0.000 2.270 200 K HA 0.472 4.792 4.320 -0.000 0.000 0.276 200 K C 0.791 177.388 176.600 -0.006 0.000 1.023 200 K CA -0.050 56.241 56.287 0.006 0.000 0.955 200 K CB 0.991 33.492 32.500 0.000 0.000 0.975 200 K HN 0.928 nan 8.250 nan 0.000 0.471 201 G N 2.038 110.829 108.800 -0.015 0.000 2.483 201 G HA2 0.122 4.082 3.960 -0.000 0.000 0.248 201 G HA3 0.122 4.082 3.960 -0.000 0.000 0.248 201 G C 0.657 175.517 174.900 -0.067 0.000 1.248 201 G CA -0.520 44.566 45.100 -0.022 0.000 0.838 201 G HN 0.466 nan 8.290 nan 0.000 0.566 202 I N 0.681 121.183 120.570 -0.113 0.000 2.947 202 I HA 0.187 4.356 4.170 -0.000 0.000 0.263 202 I C 1.404 177.319 176.117 -0.336 0.000 1.130 202 I CA 0.291 61.421 61.300 -0.284 0.000 1.448 202 I CB -0.802 36.894 38.000 -0.507 0.000 1.222 202 I HN 0.732 nan 8.210 nan 0.000 0.453 203 R N 1.565 121.930 120.500 -0.226 0.000 2.532 203 R HA -0.203 4.137 4.340 -0.000 0.000 0.317 203 R C -1.644 174.550 176.300 -0.178 0.000 1.026 203 R CA 0.026 56.066 56.100 -0.099 0.000 0.846 203 R CB -1.517 28.756 30.300 -0.045 0.000 2.375 203 R HN 0.059 nan 8.270 nan 0.000 0.497 204 F N 3.037 122.999 119.950 0.020 0.000 2.411 204 F HA 0.248 4.775 4.527 -0.000 0.000 0.350 204 F C 0.967 176.714 175.800 -0.089 0.000 1.114 204 F CA -0.339 57.567 58.000 -0.157 0.000 1.135 204 F CB 1.367 40.071 39.000 -0.493 0.000 1.120 204 F HN 0.245 nan 8.300 nan 0.000 0.495 205 E N 4.021 124.255 120.200 0.058 0.000 2.044 205 E HA 0.045 4.395 4.350 -0.000 0.000 0.282 205 E C -0.938 175.680 176.600 0.030 0.000 1.031 205 E CA -0.379 56.071 56.400 0.084 0.000 0.824 205 E CB 0.675 30.408 29.700 0.054 0.000 1.076 205 E HN 0.493 nan 8.360 nan 0.000 0.395 206 W N 4.588 125.897 121.300 0.015 0.000 2.388 206 W HA 0.188 4.848 4.660 -0.000 0.000 0.308 206 W C -0.107 176.360 176.519 -0.087 0.000 1.263 206 W CA -0.473 56.830 57.345 -0.069 0.000 1.286 206 W CB 1.097 30.422 29.460 -0.226 0.000 1.294 206 W HN 0.234 nan 8.180 nan 0.000 0.493 207 V N 3.778 123.758 119.914 0.111 0.000 2.448 207 V HA 0.551 4.671 4.120 -0.000 0.000 0.295 207 V C -0.193 175.924 176.094 0.039 0.000 1.025 207 V CA -1.281 61.052 62.300 0.056 0.000 0.859 207 V CB 1.858 33.699 31.823 0.031 0.000 0.988 207 V HN 0.532 nan 8.190 nan 0.000 0.431 208 R N 4.200 124.709 120.500 0.015 0.000 2.202 208 R HA 0.542 4.882 4.340 -0.000 0.000 0.334 208 R C -1.143 175.154 176.300 -0.005 0.000 1.036 208 R CA -0.375 55.726 56.100 0.002 0.000 0.878 208 R CB 1.433 31.725 30.300 -0.012 0.000 1.067 208 R HN 0.778 nan 8.270 nan 0.000 0.457 209 V N 5.183 125.088 119.914 -0.015 0.000 2.455 209 V HA 0.046 4.166 4.120 -0.000 0.000 0.273 209 V C 0.009 176.084 176.094 -0.032 0.000 1.045 209 V CA -0.225 62.056 62.300 -0.031 0.000 0.976 209 V CB 1.183 32.973 31.823 -0.055 0.000 0.993 209 V HN 0.751 nan 8.190 nan 0.000 0.475 210 D N 3.978 124.361 120.400 -0.028 0.000 2.341 210 D HA 0.418 5.058 4.640 -0.000 0.000 0.245 210 D C -0.231 176.041 176.300 -0.046 0.000 1.106 210 D CA -0.204 53.784 54.000 -0.020 0.000 0.905 210 D CB 0.932 41.727 40.800 -0.008 0.000 1.202 210 D HN 0.394 nan 8.370 nan 0.000 0.426 211 L N 3.889 125.099 121.223 -0.023 0.000 2.265 211 L HA 0.349 4.689 4.340 -0.000 0.000 0.288 211 L C -1.930 174.949 176.870 0.015 0.000 1.058 211 L CA -1.900 52.922 54.840 -0.030 0.000 0.809 211 L CB 0.661 42.776 42.059 0.093 0.000 1.179 211 L HN 0.208 nan 8.230 nan 0.000 0.429 212 P HA 0.029 nan 4.420 nan 0.000 0.268 212 P C 0.263 177.603 177.300 0.068 0.000 1.205 212 P CA -0.272 62.844 63.100 0.027 0.000 0.771 212 P CB 1.091 32.800 31.700 0.014 0.000 0.858 213 E N 2.127 122.354 120.200 0.046 0.000 2.196 213 E HA -0.235 4.115 4.350 -0.000 0.000 0.222 213 E C 1.881 178.508 176.600 0.046 0.000 1.072 213 E CA 1.603 58.027 56.400 0.041 0.000 0.902 213 E CB -0.753 28.962 29.700 0.025 0.000 0.780 213 E HN 0.551 nan 8.360 nan 0.000 0.467 214 I N -0.334 120.266 120.570 0.050 0.000 2.127 214 I HA -0.329 3.841 4.170 -0.000 0.000 0.241 214 I C 2.477 178.621 176.117 0.046 0.000 1.075 214 I CA 1.641 62.965 61.300 0.039 0.000 1.334 214 I CB -0.465 37.560 38.000 0.042 0.000 1.040 214 I HN 0.107 nan 8.210 nan 0.000 0.405 215 Y N 1.715 121.990 120.300 -0.042 0.000 2.081 215 Y HA -0.365 4.185 4.550 -0.000 0.000 0.280 215 Y C 2.707 178.571 175.900 -0.061 0.000 1.163 215 Y CA 2.130 60.191 58.100 -0.066 0.000 1.135 215 Y CB -0.251 38.153 38.460 -0.092 0.000 0.970 215 Y HN -0.020 nan 8.280 nan 0.000 0.498 216 K N -0.236 120.250 120.400 0.144 0.000 2.020 216 K HA -0.307 4.013 4.320 -0.000 0.000 0.212 216 K C 2.150 178.734 176.600 -0.027 0.000 1.050 216 K CA 2.022 58.348 56.287 0.066 0.000 0.929 216 K CB -0.269 32.273 32.500 0.071 0.000 0.714 216 K HN 0.249 nan 8.250 nan 0.000 0.443 217 E N 0.256 120.441 120.200 -0.025 0.000 2.051 217 E HA -0.136 4.214 4.350 -0.000 0.000 0.192 217 E C 1.808 178.361 176.600 -0.079 0.000 0.991 217 E CA 1.367 57.742 56.400 -0.041 0.000 0.799 217 E CB -0.258 29.427 29.700 -0.023 0.000 0.748 217 E HN 0.127 nan 8.360 nan 0.000 0.449 218 V N 0.915 120.761 119.914 -0.113 0.000 2.324 218 V HA -0.289 3.831 4.120 -0.000 0.000 0.250 218 V C 2.639 178.627 176.094 -0.176 0.000 1.060 218 V CA 2.295 64.507 62.300 -0.146 0.000 1.042 218 V CB -0.581 31.130 31.823 -0.187 0.000 0.650 218 V HN 0.273 nan 8.190 nan 0.000 0.450 219 R N 0.277 120.635 120.500 -0.238 0.000 2.070 219 R HA -0.217 4.123 4.340 -0.000 0.000 0.233 219 R C 2.473 178.699 176.300 -0.122 0.000 1.137 219 R CA 2.159 58.127 56.100 -0.220 0.000 0.945 219 R CB -0.340 29.805 30.300 -0.258 0.000 0.845 219 R HN 0.498 nan 8.270 nan 0.000 0.430 220 K N 0.509 120.857 120.400 -0.087 0.000 2.020 220 K HA -0.198 4.122 4.320 -0.000 0.000 0.212 220 K C 2.136 178.704 176.600 -0.052 0.000 1.050 220 K CA 1.923 58.179 56.287 -0.053 0.000 0.929 220 K CB -0.235 32.243 32.500 -0.035 0.000 0.714 220 K HN 0.215 nan 8.250 nan 0.000 0.443 221 L N 0.888 122.075 121.223 -0.060 0.000 1.989 221 L HA -0.248 4.092 4.340 -0.000 0.000 0.211 221 L C 2.561 179.396 176.870 -0.058 0.000 1.071 221 L CA 1.307 56.115 54.840 -0.055 0.000 0.749 221 L CB -0.508 41.515 42.059 -0.061 0.000 0.890 221 L HN 0.271 nan 8.230 nan 0.000 0.431 222 L N -0.675 120.501 121.223 -0.077 0.000 2.012 222 L HA -0.247 4.093 4.340 -0.000 0.000 0.210 222 L C 2.927 179.765 176.870 -0.053 0.000 1.073 222 L CA 1.440 56.236 54.840 -0.073 0.000 0.748 222 L CB -0.509 41.491 42.059 -0.098 0.000 0.891 222 L HN 0.238 nan 8.230 nan 0.000 0.431 223 R N -0.400 120.067 120.500 -0.056 0.000 2.080 223 R HA -0.165 4.175 4.340 -0.000 0.000 0.236 223 R C 2.189 178.478 176.300 -0.017 0.000 1.137 223 R CA 1.251 57.330 56.100 -0.036 0.000 0.943 223 R CB -0.442 29.837 30.300 -0.035 0.000 0.846 223 R HN 0.291 nan 8.270 nan 0.000 0.431 224 E N 0.687 120.875 120.200 -0.020 0.000 2.171 224 E HA -0.193 4.157 4.350 -0.000 0.000 0.197 224 E C 1.956 178.555 176.600 -0.003 0.000 0.997 224 E CA 1.433 57.826 56.400 -0.010 0.000 0.810 224 E CB -0.154 29.538 29.700 -0.014 0.000 0.738 224 E HN 0.411 nan 8.360 nan 0.000 0.467 225 M N -0.173 119.422 119.600 -0.008 0.000 2.156 225 M HA -0.061 4.419 4.480 -0.000 0.000 0.264 225 M C 2.389 178.701 176.300 0.020 0.000 1.067 225 M CA 0.795 56.096 55.300 0.002 0.000 1.131 225 M CB -0.125 32.465 32.600 -0.017 0.000 1.368 225 M HN 0.080 nan 8.290 nan 0.000 0.416 226 L N 0.051 121.284 121.223 0.016 0.000 2.046 226 L HA -0.261 4.079 4.340 -0.000 0.000 0.208 226 L C 2.675 179.567 176.870 0.036 0.000 1.077 226 L CA 1.535 56.396 54.840 0.035 0.000 0.747 226 L CB -0.407 41.673 42.059 0.036 0.000 0.896 226 L HN 0.325 nan 8.230 nan 0.000 0.432 227 R N -0.008 120.505 120.500 0.023 0.000 2.082 227 R HA -0.220 4.120 4.340 -0.000 0.000 0.234 227 R C 1.885 178.195 176.300 0.016 0.000 1.136 227 R CA 2.251 58.361 56.100 0.017 0.000 0.935 227 R CB -0.285 30.020 30.300 0.009 0.000 0.842 227 R HN 0.415 nan 8.270 nan 0.000 0.430 228 D N 0.113 120.527 120.400 0.022 0.000 2.149 228 D HA -0.157 4.483 4.640 -0.000 0.000 0.198 228 D C 1.673 178.004 176.300 0.052 0.000 0.990 228 D CA 1.481 55.497 54.000 0.027 0.000 0.839 228 D CB -0.215 40.611 40.800 0.043 0.000 0.948 228 D HN 0.429 nan 8.370 nan 0.000 0.460 229 A N 0.300 123.176 122.820 0.093 0.000 2.015 229 A HA -0.078 4.242 4.320 -0.000 0.000 0.219 229 A C 2.313 179.958 177.584 0.102 0.000 1.163 229 A CA 0.788 52.928 52.037 0.172 0.000 0.646 229 A CB -0.450 18.631 19.000 0.136 0.000 0.806 229 A HN 0.210 nan 8.150 nan 0.000 0.448 230 L N -1.442 119.804 121.223 0.038 0.000 2.354 230 L HA -0.010 4.330 4.340 -0.000 0.000 0.212 230 L C 2.284 179.135 176.870 -0.033 0.000 1.091 230 L CA 0.536 55.383 54.840 0.011 0.000 0.828 230 L CB -0.266 41.803 42.059 0.017 0.000 0.973 230 L HN 0.262 nan 8.230 nan 0.000 0.461 231 K N 0.629 120.998 120.400 -0.051 0.000 2.052 231 K HA -0.212 4.108 4.320 -0.000 0.000 0.215 231 K C -0.513 176.015 176.600 -0.120 0.000 1.053 231 K CA 2.145 58.387 56.287 -0.075 0.000 0.934 231 K CB -1.274 31.180 32.500 -0.075 0.000 0.717 231 K HN 0.290 nan 8.250 nan 0.000 0.450 232 P HA -0.169 nan 4.420 nan 0.000 0.217 232 P C 1.412 178.625 177.300 -0.146 0.000 1.150 232 P CA 1.452 64.386 63.100 -0.277 0.000 0.832 232 P CB -0.050 31.252 31.700 -0.664 0.000 0.787 233 L N -0.579 120.590 121.223 -0.091 0.000 2.046 233 L HA -0.137 4.203 4.340 -0.000 0.000 0.208 233 L C 2.854 179.717 176.870 -0.013 0.000 1.077 233 L CA 1.632 56.466 54.840 -0.010 0.000 0.747 233 L CB -1.221 40.864 42.059 0.043 0.000 0.896 233 L HN -0.043 nan 8.230 nan 0.000 0.432 234 A N 0.176 122.982 122.820 -0.024 0.000 1.855 234 A HA -0.205 4.115 4.320 -0.000 0.000 0.215 234 A C 2.085 179.655 177.584 -0.023 0.000 1.191 234 A CA 1.474 53.501 52.037 -0.017 0.000 0.613 234 A CB -0.533 18.457 19.000 -0.017 0.000 0.829 234 A HN 0.435 nan 8.150 nan 0.000 0.442 235 E N -0.670 119.507 120.200 -0.038 0.000 2.393 235 E HA -0.130 4.220 4.350 -0.000 0.000 0.201 235 E C 1.420 178.004 176.600 -0.027 0.000 1.025 235 E CA 1.376 57.755 56.400 -0.036 0.000 0.856 235 E CB -0.248 29.422 29.700 -0.050 0.000 0.771 235 E HN 0.610 nan 8.360 nan 0.000 0.526 236 T N -1.257 113.283 114.554 -0.025 0.000 3.037 236 T HA 0.157 4.507 4.350 -0.000 0.000 0.252 236 T C 1.210 175.906 174.700 -0.008 0.000 1.073 236 T CA 0.608 62.700 62.100 -0.014 0.000 1.091 236 T CB 0.722 69.585 68.868 -0.010 0.000 0.935 236 T HN 0.380 nan 8.240 nan 0.000 0.488 237 G N 1.318 110.114 108.800 -0.006 0.000 2.131 237 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.201 237 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.201 237 G C 0.672 175.573 174.900 0.003 0.000 1.000 237 G CA -0.009 45.090 45.100 -0.003 0.000 0.680 237 G HN 0.505 nan 8.290 nan 0.000 0.514 238 L N -0.165 121.063 121.223 0.008 0.000 2.509 238 L HA 0.447 4.787 4.340 -0.000 0.000 0.222 238 L C 1.316 178.200 176.870 0.022 0.000 1.123 238 L CA 0.871 55.722 54.840 0.018 0.000 0.856 238 L CB -0.111 41.967 42.059 0.032 0.000 0.985 238 L HN 0.570 nan 8.230 nan 0.000 0.456 239 L N -6.103 115.129 121.223 0.016 0.000 2.653 239 L HA 0.345 4.685 4.340 -0.000 0.000 0.257 239 L C 0.132 177.007 176.870 0.009 0.000 0.969 239 L CA -0.856 53.994 54.840 0.015 0.000 0.869 239 L CB 1.456 43.528 42.059 0.022 0.000 1.439 239 L HN -0.153 nan 8.230 nan 0.000 0.414 240 E N 1.323 121.529 120.200 0.009 0.000 2.065 240 E HA -0.135 4.215 4.350 -0.000 0.000 0.201 240 E C 0.549 177.152 176.600 0.004 0.000 1.016 240 E CA 2.237 58.641 56.400 0.006 0.000 0.818 240 E CB -0.051 29.653 29.700 0.007 0.000 0.749 240 E HN 0.788 nan 8.360 nan 0.000 0.453 241 S N -1.219 114.485 115.700 0.007 0.000 2.651 241 S HA 0.281 4.751 4.470 -0.000 0.000 0.279 241 S C 0.202 174.806 174.600 0.006 0.000 1.148 241 S CA -0.365 57.838 58.200 0.004 0.000 0.837 241 S CB 1.739 64.942 63.200 0.006 0.000 1.138 241 S HN 0.062 nan 8.310 nan 0.000 0.478 242 S N -0.122 115.580 115.700 0.003 0.000 2.614 242 S HA 0.248 4.718 4.470 -0.000 0.000 0.230 242 S C 0.550 175.157 174.600 0.012 0.000 0.952 242 S CA -0.028 58.174 58.200 0.004 0.000 0.949 242 S CB -0.487 62.709 63.200 -0.007 0.000 0.786 242 S HN 0.877 nan 8.310 nan 0.000 0.478 243 S N 3.753 119.463 115.700 0.016 0.000 2.510 243 S HA 0.232 4.702 4.470 -0.000 0.000 0.279 243 S C -1.144 173.477 174.600 0.034 0.000 1.284 243 S CA -1.339 56.873 58.200 0.021 0.000 1.059 243 S CB 0.719 63.931 63.200 0.020 0.000 0.901 243 S HN 0.301 nan 8.310 nan 0.000 0.491 244 P HA -0.067 nan 4.420 nan 0.000 0.234 244 P C 0.227 177.561 177.300 0.057 0.000 1.162 244 P CA 0.781 63.908 63.100 0.045 0.000 0.759 244 P CB 0.133 31.845 31.700 0.019 0.000 0.813 245 D N 0.163 120.594 120.400 0.051 0.000 2.346 245 D HA 0.059 4.699 4.640 -0.000 0.000 0.206 245 D C 1.404 177.749 176.300 0.075 0.000 1.001 245 D CA -0.029 54.006 54.000 0.059 0.000 0.871 245 D CB 0.154 40.981 40.800 0.046 0.000 0.943 245 D HN 0.338 nan 8.370 nan 0.000 0.518 246 I N 0.027 120.639 120.570 0.070 0.000 3.045 246 I HA 0.106 4.276 4.170 -0.000 0.000 0.288 246 I C -2.324 173.844 176.117 0.085 0.000 1.238 246 I CA -1.299 60.039 61.300 0.063 0.000 1.396 246 I CB -0.438 37.587 38.000 0.042 0.000 1.355 246 I HN -0.331 nan 8.210 nan 0.000 0.601 247 P HA 0.087 nan 4.420 nan 0.000 0.271 247 P C 0.159 177.465 177.300 0.011 0.000 1.216 247 P CA -0.378 62.763 63.100 0.068 0.000 0.776 247 P CB 0.815 32.545 31.700 0.051 0.000 0.881 248 K N 3.528 123.921 120.400 -0.013 0.000 2.074 248 K HA -0.250 4.070 4.320 -0.000 0.000 0.209 248 K C 1.792 178.316 176.600 -0.127 0.000 1.048 248 K CA 1.697 57.831 56.287 -0.255 0.000 0.926 248 K CB -0.121 32.263 32.500 -0.193 0.000 0.713 248 K HN 0.277 nan 8.250 nan 0.000 0.444 249 K N 0.948 121.328 120.400 -0.033 0.000 2.113 249 K HA -0.246 4.074 4.320 -0.000 0.000 0.208 249 K C 1.947 178.545 176.600 -0.002 0.000 1.047 249 K CA 2.030 58.314 56.287 -0.005 0.000 0.928 249 K CB -0.070 32.441 32.500 0.018 0.000 0.716 249 K HN 0.290 nan 8.250 nan 0.000 0.446 250 E N 0.286 120.483 120.200 -0.004 0.000 2.204 250 E HA -0.132 4.218 4.350 -0.000 0.000 0.194 250 E C 1.808 178.414 176.600 0.010 0.000 0.989 250 E CA 1.089 57.494 56.400 0.007 0.000 0.824 250 E CB 0.168 29.875 29.700 0.011 0.000 0.756 250 E HN 0.347 nan 8.360 nan 0.000 0.477 251 V N -1.214 118.686 119.914 -0.023 0.000 2.446 251 V HA -0.120 4.000 4.120 -0.000 0.000 0.244 251 V C 2.180 178.330 176.094 0.094 0.000 1.039 251 V CA 0.528 62.820 62.300 -0.013 0.000 1.045 251 V CB -0.472 31.268 31.823 -0.138 0.000 0.681 251 V HN 0.162 nan 8.190 nan 0.000 0.459 252 L N 0.156 121.415 121.223 0.061 0.000 2.079 252 L HA -0.081 4.259 4.340 -0.000 0.000 0.210 252 L C 2.877 179.818 176.870 0.119 0.000 1.081 252 L CA 1.850 56.773 54.840 0.138 0.000 0.752 252 L CB -1.664 40.429 42.059 0.057 0.000 0.896 252 L HN 0.401 nan 8.230 nan 0.000 0.433 253 R N 0.108 120.649 120.500 0.069 0.000 2.070 253 R HA -0.090 4.250 4.340 -0.000 0.000 0.233 253 R C 2.177 178.505 176.300 0.046 0.000 1.137 253 R CA 1.542 57.668 56.100 0.042 0.000 0.945 253 R CB -0.467 29.850 30.300 0.029 0.000 0.845 253 R HN 0.330 nan 8.270 nan 0.000 0.430 254 A N -0.069 122.800 122.820 0.083 0.000 1.986 254 A HA -0.134 4.186 4.320 -0.000 0.000 0.220 254 A C 2.314 179.926 177.584 0.046 0.000 1.171 254 A CA 2.045 54.137 52.037 0.092 0.000 0.640 254 A CB -1.006 18.081 19.000 0.146 0.000 0.811 254 A HN 0.513 nan 8.150 nan 0.000 0.451 255 G N -0.069 108.734 108.800 0.005 0.000 2.464 255 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.214 255 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.214 255 G C 1.575 176.319 174.900 -0.259 0.000 1.218 255 G CA 0.976 45.754 45.100 -0.537 0.000 0.794 255 G HN 0.767 nan 8.290 nan 0.000 0.542 256 Q N 0.044 119.770 119.800 -0.123 0.000 2.297 256 Q HA -0.011 4.329 4.340 -0.000 0.000 0.208 256 Q C 2.353 178.317 176.000 -0.060 0.000 0.981 256 Q CA 1.061 56.819 55.803 -0.075 0.000 0.876 256 Q CB -0.407 28.312 28.738 -0.032 0.000 0.921 256 Q HN 0.534 nan 8.270 nan 0.000 0.446 257 I N 0.743 121.282 120.570 -0.051 0.000 2.315 257 I HA -0.225 3.945 4.170 -0.000 0.000 0.248 257 I C 2.252 178.338 176.117 -0.051 0.000 1.117 257 I CA 0.952 62.230 61.300 -0.037 0.000 1.404 257 I CB -0.127 37.861 38.000 -0.019 0.000 1.071 257 I HN 0.238 nan 8.210 nan 0.000 0.419 258 I N 0.708 121.237 120.570 -0.068 0.000 2.315 258 I HA -0.271 3.899 4.170 -0.000 0.000 0.248 258 I C 1.956 178.028 176.117 -0.075 0.000 1.117 258 I CA 1.562 62.822 61.300 -0.067 0.000 1.404 258 I CB -0.546 37.410 38.000 -0.073 0.000 1.071 258 I HN 0.328 nan 8.210 nan 0.000 0.419 259 N N 0.713 119.364 118.700 -0.081 0.000 2.142 259 N HA -0.169 4.571 4.740 -0.000 0.000 0.186 259 N C 1.529 177.003 175.510 -0.060 0.000 1.023 259 N CA 0.964 53.975 53.050 -0.065 0.000 0.852 259 N CB -0.048 38.402 38.487 -0.061 0.000 0.998 259 N HN 0.394 nan 8.380 nan 0.000 0.424 260 E N 0.644 120.811 120.200 -0.055 0.000 2.338 260 E HA -0.115 4.235 4.350 -0.000 0.000 0.197 260 E C 1.196 177.757 176.600 -0.066 0.000 1.007 260 E CA 0.600 56.970 56.400 -0.049 0.000 0.849 260 E CB 0.131 29.809 29.700 -0.036 0.000 0.774 260 E HN 0.316 nan 8.360 nan 0.000 0.506 261 E N 0.049 120.199 120.200 -0.083 0.000 2.250 261 E HA 0.020 4.370 4.350 -0.000 0.000 0.192 261 E C 1.844 178.325 176.600 -0.199 0.000 0.986 261 E CA 0.591 56.926 56.400 -0.109 0.000 0.849 261 E CB 0.134 29.781 29.700 -0.089 0.000 0.797 261 E HN 0.370 nan 8.360 nan 0.000 0.482 262 M N -0.419 119.045 119.600 -0.226 0.000 2.388 262 M HA 0.099 4.579 4.480 -0.000 0.000 0.265 262 M C 2.147 178.290 176.300 -0.262 0.000 1.088 262 M CA 0.803 55.841 55.300 -0.438 0.000 1.134 262 M CB -0.005 32.472 32.600 -0.205 0.000 1.384 262 M HN -0.029 nan 8.290 nan 0.000 0.447 263 A N 0.823 123.574 122.820 -0.115 0.000 2.066 263 A HA -0.077 4.243 4.320 -0.000 0.000 0.218 263 A C 2.039 179.594 177.584 -0.048 0.000 1.157 263 A CA 1.229 53.238 52.037 -0.047 0.000 0.670 263 A CB -0.326 18.655 19.000 -0.031 0.000 0.804 263 A HN 0.416 nan 8.150 nan 0.000 0.453 264 K N -1.677 118.673 120.400 -0.083 0.000 2.361 264 K HA 0.232 4.552 4.320 -0.000 0.000 0.196 264 K C 0.806 177.370 176.600 -0.061 0.000 1.039 264 K CA 0.521 56.773 56.287 -0.059 0.000 1.001 264 K CB 0.168 32.632 32.500 -0.060 0.000 0.795 264 K HN 0.614 nan 8.250 nan 0.000 0.495 265 G N 1.638 110.360 108.800 -0.131 0.000 2.226 265 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.176 265 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.176 265 G C -0.034 174.792 174.900 -0.124 0.000 1.042 265 G CA 0.091 45.146 45.100 -0.075 0.000 0.732 265 G HN 0.327 nan 8.290 nan 0.000 0.494 266 N N -0.657 117.842 118.700 -0.336 0.000 2.272 266 N HA 0.062 4.802 4.740 -0.000 0.000 0.195 266 N C 1.302 176.745 175.510 -0.112 0.000 1.048 266 N CA 0.399 53.341 53.050 -0.180 0.000 0.912 266 N CB 0.030 38.426 38.487 -0.153 0.000 1.096 266 N HN 0.432 nan 8.380 nan 0.000 0.471 267 H N -0.776 118.296 119.070 0.003 0.000 3.237 267 H HA -0.132 4.424 4.556 -0.000 0.000 0.231 267 H C -0.121 175.213 175.328 0.010 0.000 1.148 267 H CA 1.083 57.135 56.048 0.005 0.000 1.155 267 H CB -1.671 28.093 29.762 0.004 0.000 1.210 267 H HN 0.468 nan 8.280 nan 0.000 0.317 268 D N 0.965 121.405 120.400 0.066 0.000 2.110 268 D HA 0.049 4.689 4.640 -0.000 0.000 0.202 268 D C 1.857 178.186 176.300 0.048 0.000 0.975 268 D CA 0.749 54.781 54.000 0.053 0.000 0.839 268 D CB 0.006 40.823 40.800 0.028 0.000 0.996 268 D HN 0.328 nan 8.370 nan 0.000 0.464 269 L N 1.332 122.572 121.223 0.028 0.000 2.933 269 L HA 0.183 4.523 4.340 -0.000 0.000 0.258 269 L C 1.892 178.790 176.870 0.047 0.000 1.253 269 L CA -0.019 54.840 54.840 0.032 0.000 1.096 269 L CB -0.287 41.778 42.059 0.009 0.000 1.432 269 L HN 0.031 nan 8.230 nan 0.000 0.418 270 R N 0.756 121.296 120.500 0.067 0.000 2.066 270 R HA -0.042 4.298 4.340 -0.000 0.000 0.224 270 R C 2.193 178.542 176.300 0.080 0.000 1.122 270 R CA 1.124 57.272 56.100 0.079 0.000 0.974 270 R CB -0.181 30.181 30.300 0.103 0.000 0.871 270 R HN 0.420 nan 8.270 nan 0.000 0.435 271 G N 1.206 110.061 108.800 0.091 0.000 2.470 271 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.220 271 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.220 271 G C 1.404 176.414 174.900 0.183 0.000 1.121 271 G CA 0.336 45.503 45.100 0.112 0.000 0.766 271 G HN 0.232 nan 8.290 nan 0.000 0.553 272 L N -0.342 120.999 121.223 0.196 0.000 2.376 272 L HA 0.074 4.414 4.340 -0.000 0.000 0.219 272 L C 2.491 179.512 176.870 0.252 0.000 1.133 272 L CA -0.162 54.851 54.840 0.288 0.000 0.816 272 L CB -0.276 41.880 42.059 0.162 0.000 0.933 272 L HN 0.134 nan 8.230 nan 0.000 0.449 273 L N -0.056 121.252 121.223 0.142 0.000 2.191 273 L HA -0.193 4.147 4.340 -0.000 0.000 0.212 273 L C 2.247 179.186 176.870 0.115 0.000 1.103 273 L CA 1.399 56.301 54.840 0.104 0.000 0.769 273 L CB -0.534 41.552 42.059 0.045 0.000 0.908 273 L HN 0.207 nan 8.230 nan 0.000 0.438 274 L N -1.688 119.565 121.223 0.050 0.000 2.005 274 L HA -0.210 4.130 4.340 -0.000 0.000 0.207 274 L C 2.240 179.052 176.870 -0.097 0.000 1.072 274 L CA 1.825 56.615 54.840 -0.082 0.000 0.744 274 L CB -0.815 41.090 42.059 -0.258 0.000 0.895 274 L HN 0.254 nan 8.230 nan 0.000 0.433 275 Y N -1.007 119.340 120.300 0.078 0.000 2.181 275 Y HA -0.264 4.286 4.550 -0.000 0.000 0.288 275 Y C 2.857 178.800 175.900 0.072 0.000 1.146 275 Y CA 1.913 60.052 58.100 0.065 0.000 1.164 275 Y CB -0.789 37.704 38.460 0.056 0.000 0.982 275 Y HN 0.412 nan 8.280 nan 0.000 0.515 276 H N 0.301 119.476 119.070 0.176 0.000 2.387 276 H HA -0.169 4.387 4.556 -0.000 0.000 0.299 276 H C 2.121 177.493 175.328 0.074 0.000 1.099 276 H CA 1.502 57.614 56.048 0.105 0.000 1.315 276 H CB -0.091 29.718 29.762 0.077 0.000 1.380 276 H HN 0.367 nan 8.280 nan 0.000 0.513 277 A N 0.810 123.737 122.820 0.178 0.000 1.969 277 A HA -0.088 4.232 4.320 -0.000 0.000 0.218 277 A C 2.739 180.349 177.584 0.042 0.000 1.169 277 A CA 1.284 53.389 52.037 0.113 0.000 0.635 277 A CB -0.552 18.514 19.000 0.109 0.000 0.810 277 A HN 0.445 nan 8.150 nan 0.000 0.445 278 M N -0.628 118.993 119.600 0.035 0.000 2.200 278 M HA -0.072 4.408 4.480 -0.000 0.000 0.265 278 M C 2.533 178.857 176.300 0.041 0.000 1.066 278 M CA 1.171 56.492 55.300 0.035 0.000 1.127 278 M CB -0.388 32.228 32.600 0.027 0.000 1.379 278 M HN 0.474 nan 8.290 nan 0.000 0.420 279 A N 0.719 123.548 122.820 0.015 0.000 1.851 279 A HA -0.173 4.147 4.320 -0.000 0.000 0.216 279 A C 2.004 179.588 177.584 0.001 0.000 1.195 279 A CA 1.503 53.538 52.037 -0.002 0.000 0.622 279 A CB -0.933 18.023 19.000 -0.074 0.000 0.831 279 A HN 0.338 nan 8.150 nan 0.000 0.444 280 L N -0.066 121.100 121.223 -0.096 0.000 2.021 280 L HA -0.232 4.108 4.340 -0.000 0.000 0.215 280 L C 2.458 179.395 176.870 0.110 0.000 1.074 280 L CA 2.256 57.074 54.840 -0.037 0.000 0.760 280 L CB -0.621 41.394 42.059 -0.073 0.000 0.889 280 L HN 0.398 nan 8.230 nan 0.000 0.433 281 K N -1.119 119.358 120.400 0.129 0.000 2.025 281 K HA -0.114 4.206 4.320 -0.000 0.000 0.207 281 K C 2.105 178.861 176.600 0.260 0.000 1.049 281 K CA 1.093 57.527 56.287 0.245 0.000 0.933 281 K CB -0.271 32.354 32.500 0.208 0.000 0.714 281 K HN 0.238 nan 8.250 nan 0.000 0.438 282 L N 0.387 121.702 121.223 0.154 0.000 2.083 282 L HA -0.217 4.123 4.340 -0.000 0.000 0.209 282 L C 2.753 179.678 176.870 0.092 0.000 1.083 282 L CA 1.142 56.044 54.840 0.104 0.000 0.752 282 L CB -0.548 41.545 42.059 0.057 0.000 0.899 282 L HN 0.388 nan 8.230 nan 0.000 0.433 283 H N -0.729 118.358 119.070 0.028 0.000 2.353 283 H HA -0.250 4.306 4.556 -0.000 0.000 0.300 283 H C 2.244 177.563 175.328 -0.014 0.000 1.090 283 H CA 2.262 58.311 56.048 0.002 0.000 1.327 283 H CB 0.063 29.825 29.762 -0.001 0.000 1.383 283 H HN 0.418 nan 8.280 nan 0.000 0.508 284 H N 0.394 119.494 119.070 0.050 0.000 2.421 284 H HA -0.018 4.538 4.556 -0.000 0.000 0.298 284 H C 2.193 177.373 175.328 -0.245 0.000 1.087 284 H CA 1.808 57.785 56.048 -0.118 0.000 1.330 284 H CB -0.153 29.479 29.762 -0.218 0.000 1.388 284 H HN 0.422 nan 8.280 nan 0.000 0.526 285 A N 1.096 123.853 122.820 -0.105 0.000 1.877 285 A HA -0.112 4.208 4.320 -0.000 0.000 0.216 285 A C 2.330 179.807 177.584 -0.177 0.000 1.186 285 A CA 1.532 53.530 52.037 -0.066 0.000 0.620 285 A CB -0.549 18.529 19.000 0.130 0.000 0.822 285 A HN 0.463 nan 8.150 nan 0.000 0.443 286 I N -0.053 120.403 120.570 -0.190 0.000 2.163 286 I HA -0.265 3.905 4.170 -0.000 0.000 0.243 286 I C 2.451 178.412 176.117 -0.259 0.000 1.085 286 I CA 2.040 63.205 61.300 -0.224 0.000 1.347 286 I CB -1.518 36.328 38.000 -0.257 0.000 1.044 286 I HN 0.579 nan 8.210 nan 0.000 0.408 287 E N 1.357 121.349 120.200 -0.346 0.000 2.070 287 E HA -0.227 4.123 4.350 -0.000 0.000 0.197 287 E C 2.451 178.865 176.600 -0.309 0.000 1.004 287 E CA 1.361 57.560 56.400 -0.336 0.000 0.805 287 E CB -0.061 29.417 29.700 -0.369 0.000 0.744 287 E HN 0.436 nan 8.360 nan 0.000 0.451 288 L N 0.306 121.297 121.223 -0.387 0.000 2.046 288 L HA -0.184 4.156 4.340 -0.000 0.000 0.208 288 L C 2.673 179.478 176.870 -0.110 0.000 1.077 288 L CA 0.558 55.237 54.840 -0.270 0.000 0.747 288 L CB -0.483 41.404 42.059 -0.288 0.000 0.896 288 L HN 0.295 nan 8.230 nan 0.000 0.432 289 L N 0.063 121.210 121.223 -0.126 0.000 2.012 289 L HA -0.236 4.104 4.340 -0.000 0.000 0.210 289 L C 2.352 179.240 176.870 0.029 0.000 1.073 289 L CA 1.900 56.680 54.840 -0.101 0.000 0.748 289 L CB -0.461 41.450 42.059 -0.247 0.000 0.891 289 L HN 0.226 nan 8.230 nan 0.000 0.431 290 E N -1.578 118.632 120.200 0.016 0.000 2.051 290 E HA -0.143 4.207 4.350 -0.000 0.000 0.189 290 E C 2.037 178.798 176.600 0.268 0.000 0.979 290 E CA 1.447 57.943 56.400 0.160 0.000 0.803 290 E CB -0.183 29.550 29.700 0.055 0.000 0.761 290 E HN 0.455 nan 8.360 nan 0.000 0.451 291 T N 0.396 114.988 114.554 0.064 0.000 2.777 291 T HA -0.120 4.230 4.350 -0.000 0.000 0.266 291 T C 1.640 176.406 174.700 0.110 0.000 1.040 291 T CA 1.345 63.434 62.100 -0.018 0.000 1.141 291 T CB 0.044 68.697 68.868 -0.358 0.000 0.868 291 T HN 0.099 nan 8.240 nan 0.000 0.444 292 Q N -1.362 118.524 119.800 0.143 0.000 2.532 292 Q HA 0.458 4.798 4.340 -0.000 0.000 0.247 292 Q C 0.764 176.973 176.000 0.349 0.000 0.872 292 Q CA 0.204 56.113 55.803 0.176 0.000 0.963 292 Q CB 1.484 30.255 28.738 0.055 0.000 1.159 292 Q HN 0.481 nan 8.270 nan 0.000 0.598 293 G N -0.614 108.381 108.800 0.324 0.000 2.353 293 G HA2 -0.113 3.847 3.960 -0.000 0.000 0.424 293 G HA3 -0.113 3.847 3.960 -0.000 0.000 0.424 293 G C -0.206 174.788 174.900 0.158 0.000 1.320 293 G CA -0.681 44.608 45.100 0.315 0.000 0.995 293 G HN 0.060 nan 8.290 nan 0.000 0.580 294 L N 0.310 121.624 121.223 0.152 0.000 2.043 294 L HA -0.140 4.200 4.340 -0.000 0.000 0.212 294 L C 3.122 180.031 176.870 0.065 0.000 1.075 294 L CA 2.236 57.120 54.840 0.073 0.000 0.752 294 L CB -0.592 41.517 42.059 0.084 0.000 0.891 294 L HN 0.577 nan 8.230 nan 0.000 0.432 295 S N -0.313 115.436 115.700 0.081 0.000 2.382 295 S HA -0.178 4.292 4.470 -0.000 0.000 0.228 295 S C 2.160 176.803 174.600 0.072 0.000 1.027 295 S CA 1.239 59.480 58.200 0.069 0.000 0.991 295 S CB -0.289 62.950 63.200 0.066 0.000 0.823 295 S HN 0.522 nan 8.310 nan 0.000 0.469 296 A N 0.992 123.857 122.820 0.074 0.000 1.969 296 A HA 0.020 4.339 4.320 -0.000 0.000 0.218 296 A C 2.068 179.707 177.584 0.091 0.000 1.169 296 A CA 1.064 53.144 52.037 0.071 0.000 0.635 296 A CB -0.532 18.495 19.000 0.044 0.000 0.810 296 A HN 0.421 nan 8.150 nan 0.000 0.445 297 L N -0.043 121.222 121.223 0.070 0.000 2.005 297 L HA -0.080 4.260 4.340 -0.000 0.000 0.207 297 L C 2.391 179.333 176.870 0.120 0.000 1.072 297 L CA 2.379 57.271 54.840 0.086 0.000 0.744 297 L CB -0.750 41.318 42.059 0.014 0.000 0.895 297 L HN 0.461 nan 8.230 nan 0.000 0.433 298 R N -0.411 120.136 120.500 0.078 0.000 2.112 298 R HA -0.254 4.086 4.340 -0.000 0.000 0.242 298 R C 2.169 178.526 176.300 0.095 0.000 1.137 298 R CA 1.978 58.119 56.100 0.069 0.000 0.944 298 R CB -0.627 29.704 30.300 0.052 0.000 0.857 298 R HN 0.545 nan 8.270 nan 0.000 0.435 299 A N -0.066 122.820 122.820 0.110 0.000 1.892 299 A HA -0.254 4.066 4.320 -0.000 0.000 0.218 299 A C 2.091 179.779 177.584 0.174 0.000 1.188 299 A CA 1.661 53.773 52.037 0.125 0.000 0.631 299 A CB -1.028 18.044 19.000 0.121 0.000 0.822 299 A HN 0.660 nan 8.150 nan 0.000 0.447 300 Y N 0.311 120.663 120.300 0.087 0.000 2.163 300 Y HA -0.139 4.411 4.550 -0.000 0.000 0.288 300 Y C 2.057 178.038 175.900 0.134 0.000 1.136 300 Y CA 1.421 59.591 58.100 0.116 0.000 1.147 300 Y CB -0.338 38.205 38.460 0.138 0.000 0.987 300 Y HN 0.269 nan 8.280 nan 0.000 0.509 301 I N 0.450 121.046 120.570 0.043 0.000 2.264 301 I HA -0.358 3.812 4.170 -0.000 0.000 0.248 301 I C 2.610 178.816 176.117 0.148 0.000 1.111 301 I CA 1.842 63.148 61.300 0.012 0.000 1.382 301 I CB -0.445 37.578 38.000 0.039 0.000 1.060 301 I HN 0.240 nan 8.210 nan 0.000 0.418 302 K N 1.701 122.169 120.400 0.114 0.000 1.973 302 K HA -0.258 4.062 4.320 -0.000 0.000 0.212 302 K C 2.242 178.914 176.600 0.120 0.000 1.047 302 K CA 1.676 58.047 56.287 0.141 0.000 0.937 302 K CB -0.218 32.342 32.500 0.099 0.000 0.721 302 K HN 0.064 nan 8.250 nan 0.000 0.440 303 K N 0.485 120.915 120.400 0.051 0.000 2.286 303 K HA -0.163 4.157 4.320 -0.000 0.000 0.203 303 K C 2.057 178.636 176.600 -0.035 0.000 1.045 303 K CA 0.984 57.280 56.287 0.015 0.000 0.935 303 K CB -0.030 32.495 32.500 0.041 0.000 0.737 303 K HN 0.153 nan 8.250 nan 0.000 0.460 304 L N 0.152 121.328 121.223 -0.078 0.000 2.240 304 L HA -0.082 4.258 4.340 -0.000 0.000 0.211 304 L C 1.847 178.831 176.870 0.191 0.000 1.106 304 L CA 1.164 55.984 54.840 -0.032 0.000 0.793 304 L CB -0.409 41.538 42.059 -0.187 0.000 0.927 304 L HN 0.194 nan 8.230 nan 0.000 0.446 305 Y N 0.088 120.378 120.300 -0.016 0.000 2.395 305 Y HA -0.082 4.468 4.550 -0.000 0.000 0.293 305 Y C 2.200 177.918 175.900 -0.304 0.000 1.123 305 Y CA 1.127 58.957 58.100 -0.450 0.000 1.227 305 Y CB 0.118 38.341 38.460 -0.395 0.000 1.012 305 Y HN 0.260 nan 8.280 nan 0.000 0.552 306 E N 0.320 120.400 120.200 -0.200 0.000 2.152 306 E HA -0.162 4.188 4.350 -0.000 0.000 0.192 306 E C 1.831 178.306 176.600 -0.209 0.000 0.983 306 E CA 1.200 57.457 56.400 -0.238 0.000 0.818 306 E CB -0.255 29.382 29.700 -0.105 0.000 0.758 306 E HN 0.663 nan 8.360 nan 0.000 0.467 307 E N 0.918 121.038 120.200 -0.134 0.000 2.150 307 E HA -0.077 4.273 4.350 -0.000 0.000 0.193 307 E C 1.973 178.504 176.600 -0.115 0.000 0.985 307 E CA 0.868 57.215 56.400 -0.088 0.000 0.814 307 E CB -0.015 29.668 29.700 -0.029 0.000 0.752 307 E HN 0.206 nan 8.360 nan 0.000 0.466 308 A N 1.455 124.164 122.820 -0.185 0.000 1.872 308 A HA -0.148 4.172 4.320 -0.000 0.000 0.214 308 A C 1.945 179.370 177.584 -0.265 0.000 1.187 308 A CA 1.175 53.092 52.037 -0.201 0.000 0.614 308 A CB -0.153 18.665 19.000 -0.302 0.000 0.826 308 A HN -0.005 nan 8.150 nan 0.000 0.442 309 K N -0.143 120.004 120.400 -0.421 0.000 2.148 309 K HA 0.013 4.333 4.320 -0.000 0.000 0.204 309 K C 2.038 178.509 176.600 -0.216 0.000 1.050 309 K CA 0.946 57.013 56.287 -0.366 0.000 0.942 309 K CB -0.262 31.939 32.500 -0.498 0.000 0.724 309 K HN 0.427 nan 8.250 nan 0.000 0.446 310 A N 0.446 123.157 122.820 -0.182 0.000 2.125 310 A HA -0.017 4.303 4.320 -0.000 0.000 0.219 310 A C 1.651 179.180 177.584 -0.092 0.000 1.156 310 A CA 1.330 53.297 52.037 -0.117 0.000 0.671 310 A CB -0.809 18.135 19.000 -0.093 0.000 0.794 310 A HN 0.457 nan 8.150 nan 0.000 0.459 311 G N -1.520 107.220 108.800 -0.100 0.000 2.166 311 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.260 311 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.260 311 G C 1.069 175.941 174.900 -0.048 0.000 0.986 311 G CA 1.070 46.128 45.100 -0.070 0.000 0.683 311 G HN 0.586 nan 8.290 nan 0.000 0.527 312 S N -0.575 115.097 115.700 -0.047 0.000 2.327 312 S HA 0.101 4.571 4.470 -0.000 0.000 0.213 312 S C 1.319 175.907 174.600 -0.020 0.000 1.032 312 S CA 1.284 59.466 58.200 -0.031 0.000 0.960 312 S CB -0.010 63.172 63.200 -0.029 0.000 0.900 312 S HN 0.555 nan 8.310 nan 0.000 0.469 313 T N 3.494 118.039 114.554 -0.016 0.000 2.752 313 T HA 0.146 4.496 4.350 -0.000 0.000 0.295 313 T C 1.001 175.703 174.700 0.003 0.000 0.923 313 T CA -0.174 61.926 62.100 0.000 0.000 1.112 313 T CB 0.878 69.754 68.868 0.014 0.000 0.884 313 T HN 0.018 nan 8.240 nan 0.000 0.525 314 K N 3.032 123.430 120.400 -0.002 0.000 2.103 314 K HA 0.007 4.327 4.320 -0.000 0.000 0.204 314 K C 2.272 178.870 176.600 -0.004 0.000 1.052 314 K CA 1.092 57.374 56.287 -0.009 0.000 0.945 314 K CB -0.508 31.977 32.500 -0.025 0.000 0.722 314 K HN 0.653 nan 8.250 nan 0.000 0.443 315 A N 0.729 123.549 122.820 -0.001 0.000 1.851 315 A HA -0.161 4.159 4.320 -0.000 0.000 0.216 315 A C 2.356 179.967 177.584 0.046 0.000 1.195 315 A CA 2.419 54.458 52.037 0.004 0.000 0.622 315 A CB -0.883 18.128 19.000 0.018 0.000 0.831 315 A HN 0.358 nan 8.150 nan 0.000 0.444 316 S N -0.085 115.663 115.700 0.080 0.000 2.383 316 S HA -0.166 4.304 4.470 -0.000 0.000 0.229 316 S C 2.042 176.816 174.600 0.291 0.000 1.030 316 S CA 1.465 59.772 58.200 0.178 0.000 1.002 316 S CB -0.237 63.058 63.200 0.158 0.000 0.829 316 S HN 0.475 nan 8.310 nan 0.000 0.467 317 K N 1.192 121.688 120.400 0.159 0.000 1.991 317 K HA -0.100 4.220 4.320 -0.000 0.000 0.212 317 K C 2.199 178.898 176.600 0.165 0.000 1.049 317 K CA 1.412 57.788 56.287 0.147 0.000 0.932 317 K CB -0.714 31.818 32.500 0.053 0.000 0.717 317 K HN 0.237 nan 8.250 nan 0.000 0.441 318 E N 0.938 121.187 120.200 0.082 0.000 2.114 318 E HA -0.146 4.204 4.350 -0.000 0.000 0.199 318 E C 1.980 178.610 176.600 0.049 0.000 1.008 318 E CA 1.121 57.548 56.400 0.045 0.000 0.810 318 E CB -0.253 29.438 29.700 -0.016 0.000 0.739 318 E HN 0.278 nan 8.360 nan 0.000 0.456 319 I N -0.612 119.980 120.570 0.037 0.000 2.286 319 I HA -0.248 3.922 4.170 -0.000 0.000 0.248 319 I C 1.554 177.578 176.117 -0.156 0.000 1.115 319 I CA 0.894 62.148 61.300 -0.076 0.000 1.392 319 I CB -0.188 37.720 38.000 -0.154 0.000 1.065 319 I HN 0.108 nan 8.210 nan 0.000 0.418 320 F N 0.649 120.614 119.950 0.024 0.000 2.367 320 F HA -0.108 4.419 4.527 -0.000 0.000 0.298 320 F C 2.694 178.507 175.800 0.022 0.000 1.094 320 F CA 1.035 59.053 58.000 0.030 0.000 1.409 320 F CB -0.374 38.675 39.000 0.082 0.000 1.064 320 F HN 0.055 nan 8.300 nan 0.000 0.528 321 S N -1.726 114.081 115.700 0.178 0.000 2.561 321 S HA -0.084 4.386 4.470 -0.000 0.000 0.225 321 S C 0.586 175.221 174.600 0.058 0.000 0.977 321 S CA -0.022 58.242 58.200 0.108 0.000 0.926 321 S CB -0.447 62.803 63.200 0.084 0.000 0.769 321 S HN 0.189 nan 8.310 nan 0.000 0.533 322 D N 2.802 123.221 120.400 0.032 0.000 2.348 322 D HA 0.099 4.739 4.640 -0.000 0.000 0.253 322 D C 1.199 177.498 176.300 -0.001 0.000 1.161 322 D CA -0.182 53.822 54.000 0.006 0.000 0.876 322 D CB 1.184 41.972 40.800 -0.020 0.000 1.160 322 D HN 0.449 nan 8.370 nan 0.000 0.459 323 K N 3.578 123.981 120.400 0.004 0.000 2.152 323 K HA -0.196 4.124 4.320 -0.000 0.000 0.206 323 K C 1.668 178.259 176.600 -0.014 0.000 1.048 323 K CA 0.789 57.076 56.287 0.001 0.000 0.933 323 K CB 0.127 32.629 32.500 0.003 0.000 0.721 323 K HN 0.196 nan 8.250 nan 0.000 0.447 324 R N 0.334 120.821 120.500 -0.023 0.000 2.073 324 R HA -0.067 4.273 4.340 -0.000 0.000 0.234 324 R C 2.423 178.688 176.300 -0.057 0.000 1.134 324 R CA 1.917 57.996 56.100 -0.036 0.000 0.952 324 R CB -0.361 29.918 30.300 -0.035 0.000 0.850 324 R HN 0.240 nan 8.270 nan 0.000 0.433 325 M N 1.010 120.561 119.600 -0.082 0.000 2.149 325 M HA -0.166 4.314 4.480 -0.000 0.000 0.261 325 M C 1.312 177.556 176.300 -0.094 0.000 1.064 325 M CA 1.749 56.968 55.300 -0.136 0.000 1.102 325 M CB -0.034 32.421 32.600 -0.241 0.000 1.369 325 M HN -0.136 nan 8.290 nan 0.000 0.408 326 K N 0.441 120.812 120.400 -0.047 0.000 1.978 326 K HA -0.211 4.109 4.320 -0.000 0.000 0.214 326 K C 2.114 178.697 176.600 -0.028 0.000 1.049 326 K CA 1.961 58.236 56.287 -0.019 0.000 0.939 326 K CB -1.023 31.478 32.500 0.001 0.000 0.721 326 K HN 0.500 nan 8.250 nan 0.000 0.441 327 K N 0.757 121.141 120.400 -0.027 0.000 2.160 327 K HA -0.134 4.186 4.320 -0.000 0.000 0.206 327 K C 2.014 178.593 176.600 -0.036 0.000 1.047 327 K CA 1.324 57.595 56.287 -0.027 0.000 0.930 327 K CB -0.096 32.389 32.500 -0.024 0.000 0.720 327 K HN 0.159 nan 8.250 nan 0.000 0.450 328 A N 1.289 124.079 122.820 -0.050 0.000 1.877 328 A HA -0.123 4.197 4.320 -0.000 0.000 0.216 328 A C 2.059 179.612 177.584 -0.052 0.000 1.186 328 A CA 1.532 53.533 52.037 -0.061 0.000 0.620 328 A CB -0.558 18.393 19.000 -0.083 0.000 0.822 328 A HN 0.353 nan 8.150 nan 0.000 0.443 329 I N 0.830 121.369 120.570 -0.051 0.000 2.335 329 I HA -0.259 3.911 4.170 -0.000 0.000 0.251 329 I C 2.844 178.943 176.117 -0.029 0.000 1.129 329 I CA 1.599 62.876 61.300 -0.039 0.000 1.402 329 I CB -0.288 37.691 38.000 -0.035 0.000 1.069 329 I HN 0.553 nan 8.210 nan 0.000 0.424 330 S N 1.217 116.901 115.700 -0.026 0.000 2.371 330 S HA -0.064 4.406 4.470 -0.000 0.000 0.224 330 S C 1.988 176.579 174.600 -0.015 0.000 1.029 330 S CA 0.625 58.814 58.200 -0.019 0.000 0.978 330 S CB -0.673 62.517 63.200 -0.016 0.000 0.833 330 S HN 0.405 nan 8.310 nan 0.000 0.466 331 L N 0.274 121.486 121.223 -0.019 0.000 2.093 331 L HA 0.041 4.381 4.340 -0.000 0.000 0.208 331 L C 2.566 179.429 176.870 -0.011 0.000 1.085 331 L CA 0.624 55.455 54.840 -0.015 0.000 0.755 331 L CB -0.568 41.477 42.059 -0.023 0.000 0.904 331 L HN 0.297 nan 8.230 nan 0.000 0.435 332 L N -0.795 120.418 121.223 -0.017 0.000 2.187 332 L HA -0.166 4.174 4.340 -0.000 0.000 0.213 332 L C 2.243 179.113 176.870 0.001 0.000 1.100 332 L CA 1.383 56.217 54.840 -0.010 0.000 0.765 332 L CB -0.322 41.728 42.059 -0.016 0.000 0.904 332 L HN 0.027 nan 8.230 nan 0.000 0.437 333 V N -1.364 118.549 119.914 -0.003 0.000 2.500 333 V HA -0.208 3.912 4.120 -0.000 0.000 0.243 333 V C 2.365 178.462 176.094 0.006 0.000 1.039 333 V CA 1.461 63.762 62.300 0.001 0.000 1.053 333 V CB 0.147 31.968 31.823 -0.005 0.000 0.695 333 V HN 0.616 nan 8.190 nan 0.000 0.463 334 Q N -0.420 119.382 119.800 0.004 0.000 2.234 334 Q HA -0.178 4.162 4.340 -0.000 0.000 0.206 334 Q C 2.056 178.064 176.000 0.013 0.000 0.980 334 Q CA 1.764 57.571 55.803 0.007 0.000 0.869 334 Q CB -0.163 28.577 28.738 0.004 0.000 0.912 334 Q HN 0.759 nan 8.270 nan 0.000 0.436 335 A N 0.908 123.738 122.820 0.017 0.000 1.855 335 A HA -0.156 4.163 4.320 -0.000 0.000 0.213 335 A C 1.960 179.561 177.584 0.029 0.000 1.195 335 A CA 1.375 53.429 52.037 0.028 0.000 0.610 335 A CB -0.455 18.565 19.000 0.034 0.000 0.837 335 A HN 0.297 nan 8.150 nan 0.000 0.444 336 K N -0.115 120.300 120.400 0.025 0.000 2.152 336 K HA -0.224 4.096 4.320 -0.000 0.000 0.206 336 K C 1.964 178.576 176.600 0.021 0.000 1.048 336 K CA 1.684 57.986 56.287 0.025 0.000 0.933 336 K CB -0.142 32.371 32.500 0.022 0.000 0.721 336 K HN 0.636 nan 8.250 nan 0.000 0.447 337 E N 0.664 120.874 120.200 0.017 0.000 2.118 337 E HA -0.191 4.159 4.350 -0.000 0.000 0.195 337 E C 1.638 178.247 176.600 0.015 0.000 0.992 337 E CA 1.610 58.019 56.400 0.014 0.000 0.804 337 E CB -0.094 29.613 29.700 0.011 0.000 0.741 337 E HN 0.612 nan 8.360 nan 0.000 0.458 338 I N -4.290 116.291 120.570 0.019 0.000 3.976 338 I HA 0.428 4.598 4.170 -0.000 0.000 0.337 338 I C 0.932 177.062 176.117 0.023 0.000 1.359 338 I CA 0.289 61.601 61.300 0.019 0.000 1.098 338 I CB 0.635 38.646 38.000 0.019 0.000 1.027 338 I HN 0.108 nan 8.210 nan 0.000 0.394 339 G N 2.790 111.605 108.800 0.026 0.000 2.246 339 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.273 339 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.273 339 G C -0.340 174.583 174.900 0.038 0.000 1.055 339 G CA 0.413 45.531 45.100 0.030 0.000 0.851 339 G HN 0.474 nan 8.290 nan 0.000 0.500 340 L N 0.150 121.400 121.223 0.045 0.000 2.259 340 L HA 0.717 5.057 4.340 -0.000 0.000 0.288 340 L C 0.633 177.552 176.870 0.081 0.000 1.051 340 L CA -0.093 54.781 54.840 0.057 0.000 0.824 340 L CB 1.289 43.382 42.059 0.055 0.000 1.206 340 L HN 0.138 nan 8.230 nan 0.000 0.429 341 D N 2.399 122.856 120.400 0.095 0.000 2.725 341 D HA 0.070 4.710 4.640 -0.000 0.000 0.269 341 D C -0.400 176.017 176.300 0.195 0.000 1.018 341 D CA 0.762 54.842 54.000 0.133 0.000 0.956 341 D CB 0.377 41.250 40.800 0.120 0.000 1.141 341 D HN 0.708 nan 8.370 nan 0.000 0.478 342 H N -1.381 117.720 119.070 0.052 0.000 3.083 342 H HA 0.268 4.824 4.556 -0.000 0.000 0.339 342 H C -2.148 173.110 175.328 -0.117 0.000 1.020 342 H CA -1.349 54.682 56.048 -0.029 0.000 1.360 342 H CB 2.435 32.245 29.762 0.080 0.000 1.811 342 H HN -0.227 nan 8.280 nan 0.000 0.493 343 P HA -0.209 nan 4.420 nan 0.000 0.217 343 P C 0.935 178.267 177.300 0.053 0.000 1.151 343 P CA 1.511 64.555 63.100 -0.092 0.000 0.849 343 P CB 0.299 31.815 31.700 -0.307 0.000 0.787 344 K N -1.485 119.040 120.400 0.208 0.000 2.057 344 K HA -0.079 4.241 4.320 -0.000 0.000 0.207 344 K C 2.092 178.744 176.600 0.086 0.000 1.049 344 K CA 1.197 57.442 56.287 -0.070 0.000 0.931 344 K CB -0.437 31.674 32.500 -0.648 0.000 0.714 344 K HN 0.066 nan 8.250 nan 0.000 0.440 345 M N 1.487 121.204 119.600 0.195 0.000 2.149 345 M HA -0.178 4.302 4.480 -0.000 0.000 0.261 345 M C 1.313 177.674 176.300 0.102 0.000 1.064 345 M CA 1.676 57.085 55.300 0.182 0.000 1.102 345 M CB -0.735 31.945 32.600 0.134 0.000 1.369 345 M HN 0.113 nan 8.290 nan 0.000 0.408 346 D N -0.412 120.035 120.400 0.078 0.000 2.097 346 D HA -0.149 4.491 4.640 -0.000 0.000 0.197 346 D C 1.975 178.296 176.300 0.035 0.000 0.984 346 D CA 1.118 55.145 54.000 0.044 0.000 0.826 346 D CB -0.213 40.604 40.800 0.028 0.000 0.973 346 D HN 0.166 nan 8.370 nan 0.000 0.460 347 K N 0.872 121.290 120.400 0.030 0.000 2.057 347 K HA -0.096 4.224 4.320 -0.000 0.000 0.207 347 K C 1.994 178.614 176.600 0.034 0.000 1.049 347 K CA 0.413 56.712 56.287 0.019 0.000 0.931 347 K CB -0.636 31.864 32.500 -0.000 0.000 0.714 347 K HN 0.011 nan 8.250 nan 0.000 0.440 348 L N 1.321 122.583 121.223 0.064 0.000 1.989 348 L HA -0.194 4.146 4.340 -0.000 0.000 0.211 348 L C 1.757 178.653 176.870 0.042 0.000 1.071 348 L CA 1.973 56.860 54.840 0.079 0.000 0.749 348 L CB -0.565 41.587 42.059 0.155 0.000 0.890 348 L HN 0.128 nan 8.230 nan 0.000 0.431 349 K N -0.593 119.829 120.400 0.037 0.000 2.032 349 K HA -0.271 4.049 4.320 -0.000 0.000 0.209 349 K C 2.079 178.689 176.600 0.016 0.000 1.048 349 K CA 1.920 58.219 56.287 0.019 0.000 0.927 349 K CB -0.311 32.200 32.500 0.018 0.000 0.712 349 K HN 0.538 nan 8.250 nan 0.000 0.441 350 E N 1.367 121.578 120.200 0.018 0.000 2.070 350 E HA -0.240 4.110 4.350 -0.000 0.000 0.197 350 E C 2.080 178.687 176.600 0.013 0.000 1.004 350 E CA 1.801 58.210 56.400 0.014 0.000 0.805 350 E CB -0.194 29.514 29.700 0.014 0.000 0.744 350 E HN 0.470 nan 8.360 nan 0.000 0.451 351 I N -1.414 119.165 120.570 0.015 0.000 2.286 351 I HA -0.151 4.019 4.170 -0.000 0.000 0.245 351 I C 2.331 178.455 176.117 0.011 0.000 1.104 351 I CA 1.061 62.369 61.300 0.013 0.000 1.397 351 I CB -0.328 37.682 38.000 0.016 0.000 1.072 351 I HN 0.079 nan 8.210 nan 0.000 0.417 352 I N 0.729 121.305 120.570 0.010 0.000 2.361 352 I HA -0.237 3.933 4.170 -0.000 0.000 0.251 352 I C 2.786 178.907 176.117 0.006 0.000 1.133 352 I CA 1.103 62.406 61.300 0.006 0.000 1.413 352 I CB -0.347 37.654 38.000 0.000 0.000 1.073 352 I HN 0.257 nan 8.210 nan 0.000 0.424 353 R N 1.475 121.979 120.500 0.007 0.000 2.082 353 R HA -0.227 4.113 4.340 -0.000 0.000 0.228 353 R C 2.133 178.437 176.300 0.006 0.000 1.140 353 R CA 2.009 58.113 56.100 0.007 0.000 0.920 353 R CB -0.725 29.579 30.300 0.007 0.000 0.828 353 R HN 0.431 nan 8.270 nan 0.000 0.430 354 E N 0.222 120.426 120.200 0.007 0.000 2.333 354 E HA -0.240 4.110 4.350 -0.000 0.000 0.200 354 E C 1.663 178.265 176.600 0.005 0.000 1.010 354 E CA 1.349 57.752 56.400 0.006 0.000 0.841 354 E CB -0.189 29.515 29.700 0.006 0.000 0.757 354 E HN 0.230 nan 8.360 nan 0.000 0.508 355 Q N 0.457 120.260 119.800 0.005 0.000 1.984 355 Q HA 0.066 4.406 4.340 -0.000 0.000 0.196 355 Q C 2.321 178.323 176.000 0.003 0.000 0.975 355 Q CA 1.390 57.195 55.803 0.004 0.000 0.827 355 Q CB -0.366 28.375 28.738 0.005 0.000 0.894 355 Q HN 0.470 nan 8.270 nan 0.000 0.438 356 L N 1.160 122.387 121.223 0.006 0.000 2.349 356 L HA -0.193 4.147 4.340 -0.000 0.000 0.220 356 L C 2.598 179.470 176.870 0.003 0.000 1.130 356 L CA 0.946 55.790 54.840 0.006 0.000 0.791 356 L CB -0.313 41.752 42.059 0.010 0.000 0.918 356 L HN 0.315 nan 8.230 nan 0.000 0.444 357 Q N 0.610 120.412 119.800 0.003 0.000 2.096 357 Q HA -0.129 4.211 4.340 -0.000 0.000 0.197 357 Q C 2.164 178.164 176.000 -0.000 0.000 0.964 357 Q CA 1.156 56.960 55.803 0.002 0.000 0.838 357 Q CB 0.166 28.905 28.738 0.003 0.000 0.906 357 Q HN 0.495 nan 8.270 nan 0.000 0.444 358 R N 0.350 120.850 120.500 -0.001 0.000 2.276 358 R HA 0.055 4.395 4.340 -0.000 0.000 0.203 358 R C 0.613 176.909 176.300 -0.006 0.000 1.017 358 R CA 0.553 56.651 56.100 -0.003 0.000 1.010 358 R CB 0.197 30.495 30.300 -0.003 0.000 0.900 358 R HN -0.069 nan 8.270 nan 0.000 0.469 359 K N 1.065 121.462 120.400 -0.006 0.000 2.713 359 K HA -0.001 4.319 4.320 -0.000 0.000 0.304 359 K C 0.251 176.847 176.600 -0.008 0.000 1.240 359 K CA -0.135 56.147 56.287 -0.010 0.000 1.080 359 K CB 0.795 33.287 32.500 -0.015 0.000 1.387 359 K HN -0.005 nan 8.250 nan 0.000 0.527 360 Q N 1.215 121.011 119.800 -0.006 0.000 2.500 360 Q HA -0.125 4.215 4.340 -0.000 0.000 0.213 360 Q C 0.568 176.565 176.000 -0.005 0.000 0.974 360 Q CA 1.382 57.184 55.803 -0.002 0.000 0.918 360 Q CB -0.113 28.625 28.738 -0.000 0.000 0.980 360 Q HN 0.468 nan 8.270 nan 0.000 0.505 361 N N 0.512 119.203 118.700 -0.015 0.000 2.467 361 N HA 0.027 4.767 4.740 -0.000 0.000 0.184 361 N C -0.530 174.959 175.510 -0.036 0.000 1.106 361 N CA 0.023 53.056 53.050 -0.029 0.000 0.892 361 N CB 0.270 38.735 38.487 -0.037 0.000 0.969 361 N HN 0.103 nan 8.380 nan 0.000 0.454 362 S N 0.814 116.502 115.700 -0.020 0.000 2.558 362 S HA 0.011 4.481 4.470 -0.000 0.000 0.291 362 S C -0.143 174.461 174.600 0.006 0.000 1.306 362 S CA 0.401 58.592 58.200 -0.015 0.000 1.056 362 S CB 0.309 63.509 63.200 0.001 0.000 0.836 362 S HN 0.209 nan 8.310 nan 0.000 0.504 363 K N 2.400 122.794 120.400 -0.010 0.000 2.394 363 K HA 0.541 4.861 4.320 -0.000 0.000 0.260 363 K C -0.616 176.072 176.600 0.147 0.000 0.967 363 K CA -0.517 55.802 56.287 0.052 0.000 0.855 363 K CB 1.013 33.330 32.500 -0.306 0.000 1.101 363 K HN 0.532 nan 8.250 nan 0.000 0.433 364 I N 0.185 120.907 120.570 0.254 0.000 2.689 364 I HA 0.575 4.745 4.170 -0.000 0.000 0.299 364 I C -1.178 174.953 176.117 0.024 0.000 1.059 364 I CA -0.766 60.598 61.300 0.107 0.000 1.055 364 I CB 1.448 39.461 38.000 0.022 0.000 1.243 364 I HN 0.519 nan 8.210 nan 0.000 0.425 365 I N 5.809 126.315 120.570 -0.106 0.000 2.474 365 I HA 0.553 4.723 4.170 -0.000 0.000 0.294 365 I C -0.945 174.903 176.117 -0.448 0.000 1.005 365 I CA -1.153 59.934 61.300 -0.355 0.000 1.113 365 I CB 2.098 39.810 38.000 -0.480 0.000 1.289 365 I HN 0.361 nan 8.210 nan 0.000 0.436 366 V N 6.479 126.102 119.914 -0.485 0.000 2.409 366 V HA 0.425 4.545 4.120 -0.000 0.000 0.291 366 V C -0.492 175.330 176.094 -0.453 0.000 1.020 366 V CA -0.466 61.614 62.300 -0.368 0.000 0.848 366 V CB 1.498 33.196 31.823 -0.208 0.000 0.990 366 V HN 0.414 nan 8.190 nan 0.000 0.430 367 F N 2.535 122.312 119.950 -0.288 0.000 2.432 367 F HA 0.737 5.264 4.527 -0.000 0.000 0.329 367 F C 0.527 176.295 175.800 -0.054 0.000 1.076 367 F CA -0.257 57.602 58.000 -0.235 0.000 1.018 367 F CB 2.277 40.999 39.000 -0.464 0.000 1.201 367 F HN 0.462 nan 8.300 nan 0.000 0.489 368 T N 0.851 115.532 114.554 0.213 0.000 2.942 368 T HA 0.229 4.579 4.350 -0.000 0.000 0.327 368 T C -0.057 174.629 174.700 -0.022 0.000 1.360 368 T CA -0.682 61.495 62.100 0.128 0.000 1.055 368 T CB 1.196 70.116 68.868 0.087 0.000 1.261 368 T HN 0.602 nan 8.240 nan 0.000 0.485 369 N N 0.780 119.312 118.700 -0.280 0.000 2.409 369 N HA 0.142 4.882 4.740 -0.000 0.000 0.179 369 N C -0.605 174.508 175.510 -0.662 0.000 1.032 369 N CA 0.845 53.535 53.050 -0.599 0.000 0.898 369 N CB 0.059 37.937 38.487 -1.015 0.000 0.971 369 N HN 0.537 nan 8.380 nan 0.000 0.441 370 Y N -0.637 119.699 120.300 0.059 0.000 2.377 370 Y HA 0.439 4.989 4.550 -0.000 0.000 0.339 370 Y C 1.035 176.947 175.900 0.020 0.000 1.011 370 Y CA -1.136 56.987 58.100 0.039 0.000 1.093 370 Y CB 1.208 39.690 38.460 0.037 0.000 1.201 370 Y HN -0.294 nan 8.280 nan 0.000 0.455 371 R N 0.554 121.142 120.500 0.146 0.000 2.081 371 R HA -0.147 4.193 4.340 -0.000 0.000 0.235 371 R C 1.364 177.701 176.300 0.061 0.000 1.131 371 R CA 1.460 57.605 56.100 0.076 0.000 0.960 371 R CB 0.055 30.389 30.300 0.057 0.000 0.856 371 R HN 0.741 nan 8.270 nan 0.000 0.436 372 E N 0.208 120.460 120.200 0.087 0.000 2.058 372 E HA -0.140 4.210 4.350 -0.000 0.000 0.194 372 E C 2.057 178.669 176.600 0.021 0.000 0.997 372 E CA 1.659 58.086 56.400 0.045 0.000 0.801 372 E CB -0.415 29.309 29.700 0.040 0.000 0.746 372 E HN 0.291 nan 8.360 nan 0.000 0.450 373 T N 1.326 115.917 114.554 0.061 0.000 2.788 373 T HA -0.110 4.240 4.350 -0.000 0.000 0.268 373 T C 1.902 176.533 174.700 -0.115 0.000 1.044 373 T CA 1.398 63.491 62.100 -0.013 0.000 1.139 373 T CB -0.213 68.726 68.868 0.120 0.000 0.867 373 T HN 0.281 nan 8.240 nan 0.000 0.454 374 A N 1.763 124.551 122.820 -0.054 0.000 1.858 374 A HA -0.141 4.179 4.320 -0.000 0.000 0.216 374 A C 2.237 179.756 177.584 -0.108 0.000 1.190 374 A CA 1.991 53.973 52.037 -0.092 0.000 0.617 374 A CB -0.604 18.373 19.000 -0.039 0.000 0.827 374 A HN 0.461 nan 8.150 nan 0.000 0.443 375 K N -0.181 120.177 120.400 -0.070 0.000 2.009 375 K HA -0.239 4.081 4.320 -0.000 0.000 0.210 375 K C 2.231 178.781 176.600 -0.084 0.000 1.049 375 K CA 2.065 58.310 56.287 -0.070 0.000 0.929 375 K CB -0.226 32.249 32.500 -0.041 0.000 0.714 375 K HN 0.444 nan 8.250 nan 0.000 0.440 376 K N 0.675 121.026 120.400 -0.082 0.000 2.103 376 K HA -0.152 4.168 4.320 -0.000 0.000 0.207 376 K C 1.996 178.520 176.600 -0.126 0.000 1.048 376 K CA 1.571 57.807 56.287 -0.085 0.000 0.930 376 K CB -0.100 32.359 32.500 -0.068 0.000 0.716 376 K HN 0.202 nan 8.250 nan 0.000 0.444 377 I N 0.491 120.945 120.570 -0.194 0.000 2.202 377 I HA -0.262 3.908 4.170 -0.000 0.000 0.242 377 I C 2.155 178.175 176.117 -0.161 0.000 1.091 377 I CA 0.856 62.017 61.300 -0.231 0.000 1.368 377 I CB -0.188 37.607 38.000 -0.342 0.000 1.058 377 I HN -0.000 nan 8.210 nan 0.000 0.410 378 V N 1.362 121.186 119.914 -0.151 0.000 2.233 378 V HA -0.316 3.804 4.120 -0.000 0.000 0.247 378 V C 2.207 178.235 176.094 -0.110 0.000 1.050 378 V CA 2.140 64.355 62.300 -0.141 0.000 1.010 378 V CB -1.009 30.726 31.823 -0.147 0.000 0.637 378 V HN 0.454 nan 8.190 nan 0.000 0.444 379 N N 0.166 118.811 118.700 -0.092 0.000 2.043 379 N HA -0.222 4.518 4.740 -0.000 0.000 0.193 379 N C 1.944 177.420 175.510 -0.057 0.000 1.037 379 N CA 1.785 54.794 53.050 -0.068 0.000 0.851 379 N CB -0.486 37.969 38.487 -0.053 0.000 1.027 379 N HN 0.528 nan 8.380 nan 0.000 0.422 380 E N 0.845 121.010 120.200 -0.059 0.000 2.160 380 E HA -0.047 4.303 4.350 -0.000 0.000 0.195 380 E C 2.011 178.586 176.600 -0.042 0.000 0.991 380 E CA 0.665 57.039 56.400 -0.043 0.000 0.810 380 E CB -0.194 29.480 29.700 -0.045 0.000 0.742 380 E HN 0.354 nan 8.360 nan 0.000 0.466 381 L N -1.221 119.967 121.223 -0.059 0.000 2.127 381 L HA -0.035 4.305 4.340 -0.000 0.000 0.203 381 L C 2.357 179.202 176.870 -0.043 0.000 1.080 381 L CA 0.575 55.384 54.840 -0.051 0.000 0.768 381 L CB -0.286 41.731 42.059 -0.070 0.000 0.924 381 L HN 0.084 nan 8.230 nan 0.000 0.444 382 V N 0.400 120.282 119.914 -0.053 0.000 2.515 382 V HA -0.264 3.856 4.120 -0.000 0.000 0.250 382 V C 2.561 178.637 176.094 -0.030 0.000 1.058 382 V CA 1.780 64.053 62.300 -0.045 0.000 1.064 382 V CB -0.257 31.530 31.823 -0.060 0.000 0.675 382 V HN 0.438 nan 8.190 nan 0.000 0.461 383 K N -0.284 120.099 120.400 -0.029 0.000 2.147 383 K HA -0.137 4.183 4.320 -0.000 0.000 0.205 383 K C 1.228 177.821 176.600 -0.012 0.000 1.049 383 K CA 1.381 57.657 56.287 -0.019 0.000 0.936 383 K CB -0.154 32.336 32.500 -0.017 0.000 0.722 383 K HN 0.601 nan 8.250 nan 0.000 0.446 384 D N -1.099 119.293 120.400 -0.013 0.000 2.478 384 D HA 0.067 4.707 4.640 -0.000 0.000 0.274 384 D C 0.009 176.305 176.300 -0.007 0.000 1.234 384 D CA 0.027 54.023 54.000 -0.007 0.000 1.069 384 D CB 1.094 41.890 40.800 -0.007 0.000 1.113 384 D HN 0.224 nan 8.370 nan 0.000 0.571 385 G N 0.595 109.394 108.800 -0.003 0.000 3.574 385 G HA2 0.365 4.325 3.960 -0.000 0.000 0.262 385 G HA3 0.365 4.325 3.960 -0.000 0.000 0.262 385 G C 0.232 175.134 174.900 0.002 0.000 1.231 385 G CA -0.088 45.012 45.100 -0.000 0.000 1.608 385 G HN 0.309 nan 8.290 nan 0.000 0.628 386 I N -0.367 120.202 120.570 -0.002 0.000 2.509 386 I HA 0.280 4.450 4.170 -0.000 0.000 0.293 386 I C -0.166 175.952 176.117 0.003 0.000 1.020 386 I CA -0.950 60.352 61.300 0.003 0.000 1.088 386 I CB 2.500 40.498 38.000 -0.004 0.000 1.267 386 I HN -0.103 nan 8.210 nan 0.000 0.430 387 K N 5.435 125.853 120.400 0.030 0.000 2.171 387 K HA 0.561 4.881 4.320 -0.000 0.000 0.274 387 K C -0.439 176.189 176.600 0.047 0.000 1.110 387 K CA -0.183 56.135 56.287 0.052 0.000 0.952 387 K CB 0.682 33.252 32.500 0.115 0.000 1.309 387 K HN 0.669 nan 8.250 nan 0.000 0.414 388 A N 3.360 126.142 122.820 -0.063 0.000 2.355 388 A HA 0.601 4.921 4.320 -0.000 0.000 0.324 388 A C -0.819 176.542 177.584 -0.372 0.000 1.117 388 A CA -0.723 51.217 52.037 -0.161 0.000 0.785 388 A CB 1.160 20.077 19.000 -0.139 0.000 1.254 388 A HN 0.596 nan 8.150 nan 0.000 0.453 389 K N 0.617 120.643 120.400 -0.622 0.000 2.513 389 K HA 0.447 4.767 4.320 -0.000 0.000 0.251 389 K C -0.640 175.659 176.600 -0.501 0.000 0.939 389 K CA -0.707 55.119 56.287 -0.769 0.000 0.793 389 K CB 1.631 33.150 32.500 -1.637 0.000 1.241 389 K HN 0.776 nan 8.250 nan 0.000 0.431 390 R N 3.153 123.467 120.500 -0.310 0.000 2.491 390 R HA 0.225 4.565 4.340 -0.000 0.000 0.283 390 R C -1.501 174.739 176.300 -0.099 0.000 1.072 390 R CA 0.197 56.191 56.100 -0.177 0.000 1.048 390 R CB 0.289 30.504 30.300 -0.142 0.000 0.983 390 R HN 0.521 nan 8.270 nan 0.000 0.450 391 F N 6.019 125.872 119.950 -0.161 0.000 2.460 391 F HA 0.414 4.941 4.527 -0.000 0.000 0.341 391 F C -0.511 175.260 175.800 -0.049 0.000 1.130 391 F CA -0.952 56.992 58.000 -0.094 0.000 0.962 391 F CB 1.177 40.128 39.000 -0.080 0.000 1.171 391 F HN 0.422 nan 8.300 nan 0.000 0.436 406 R N 0.507 120.994 120.500 -0.023 0.000 2.164 406 R HA 0.075 4.415 4.340 -0.000 0.000 0.198 406 R C 1.220 177.517 176.300 -0.004 0.000 1.028 406 R CA 0.673 56.770 56.100 -0.005 0.000 1.083 406 R CB 0.405 30.703 30.300 -0.005 0.000 1.026 406 R HN 0.543 nan 8.270 nan 0.000 0.514 407 E N 1.896 122.080 120.200 -0.027 0.000 2.442 407 E HA -0.043 4.307 4.350 -0.000 0.000 0.195 407 E C 1.635 178.217 176.600 -0.031 0.000 1.030 407 E CA 0.399 56.786 56.400 -0.022 0.000 0.869 407 E CB -0.140 29.540 29.700 -0.035 0.000 0.857 407 E HN 0.348 nan 8.360 nan 0.000 0.505 408 Q N 1.284 121.034 119.800 -0.084 0.000 2.045 408 Q HA -0.178 4.162 4.340 -0.000 0.000 0.206 408 Q C 2.215 178.305 176.000 0.149 0.000 0.991 408 Q CA 2.071 57.794 55.803 -0.133 0.000 0.851 408 Q CB -0.250 28.389 28.738 -0.165 0.000 0.911 408 Q HN 0.256 nan 8.270 nan 0.000 0.418 409 K N 0.893 121.371 120.400 0.131 0.000 2.103 409 K HA -0.168 4.151 4.320 -0.000 0.000 0.207 409 K C 2.075 178.758 176.600 0.138 0.000 1.048 409 K CA 0.855 57.233 56.287 0.151 0.000 0.930 409 K CB -0.172 32.386 32.500 0.098 0.000 0.716 409 K HN 0.195 nan 8.250 nan 0.000 0.444 410 L N 1.157 122.442 121.223 0.103 0.000 1.976 410 L HA -0.176 4.164 4.340 -0.000 0.000 0.209 410 L C 2.467 179.425 176.870 0.147 0.000 1.071 410 L CA 1.492 56.390 54.840 0.096 0.000 0.746 410 L CB -0.287 41.810 42.059 0.063 0.000 0.890 410 L HN 0.360 nan 8.230 nan 0.000 0.432 411 I N -0.793 119.886 120.570 0.181 0.000 2.286 411 I HA -0.311 3.859 4.170 -0.000 0.000 0.248 411 I C 2.337 178.694 176.117 0.401 0.000 1.115 411 I CA 1.208 62.687 61.300 0.297 0.000 1.392 411 I CB 0.117 38.266 38.000 0.250 0.000 1.065 411 I HN 0.300 nan 8.210 nan 0.000 0.418 412 L N 1.239 122.690 121.223 0.379 0.000 2.046 412 L HA -0.236 4.104 4.340 -0.000 0.000 0.208 412 L C 2.096 179.080 176.870 0.189 0.000 1.077 412 L CA 1.919 56.960 54.840 0.334 0.000 0.747 412 L CB -0.995 41.249 42.059 0.308 0.000 0.896 412 L HN 0.288 nan 8.230 nan 0.000 0.432 413 D N -0.634 119.847 120.400 0.136 0.000 2.144 413 D HA -0.186 4.454 4.640 -0.000 0.000 0.199 413 D C 1.950 178.262 176.300 0.019 0.000 0.984 413 D CA 1.203 55.236 54.000 0.055 0.000 0.834 413 D CB 0.138 40.970 40.800 0.053 0.000 0.955 413 D HN 0.534 nan 8.370 nan 0.000 0.465 414 E N 0.170 120.410 120.200 0.066 0.000 2.077 414 E HA -0.143 4.207 4.350 -0.000 0.000 0.193 414 E C 2.034 178.514 176.600 -0.200 0.000 0.989 414 E CA 0.375 56.780 56.400 0.009 0.000 0.800 414 E CB -0.278 29.529 29.700 0.179 0.000 0.746 414 E HN 0.330 nan 8.360 nan 0.000 0.452 415 F N 1.465 121.102 119.950 -0.523 0.000 2.095 415 F HA -0.276 4.251 4.527 -0.000 0.000 0.298 415 F C 2.357 177.903 175.800 -0.423 0.000 1.104 415 F CA 0.986 58.507 58.000 -0.799 0.000 1.232 415 F CB 0.020 38.730 39.000 -0.484 0.000 0.987 415 F HN 0.015 nan 8.300 nan 0.000 0.475 416 A N 0.645 123.281 122.820 -0.306 0.000 1.883 416 A HA -0.243 4.077 4.320 -0.000 0.000 0.217 416 A C 2.055 179.477 177.584 -0.270 0.000 1.186 416 A CA 1.902 53.726 52.037 -0.354 0.000 0.624 416 A CB -0.782 18.093 19.000 -0.207 0.000 0.822 416 A HN 0.430 nan 8.150 nan 0.000 0.444 417 R N -1.836 118.557 120.500 -0.179 0.000 2.115 417 R HA 0.092 4.432 4.340 -0.000 0.000 0.230 417 R C 1.368 177.585 176.300 -0.139 0.000 1.111 417 R CA 1.134 57.156 56.100 -0.130 0.000 0.976 417 R CB -0.129 30.125 30.300 -0.077 0.000 0.870 417 R HN 0.820 nan 8.270 nan 0.000 0.445 418 G N -1.006 107.688 108.800 -0.177 0.000 2.164 418 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.154 418 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.154 418 G C 0.407 175.245 174.900 -0.103 0.000 1.014 418 G CA 0.142 45.156 45.100 -0.144 0.000 0.683 418 G HN 0.242 nan 8.290 nan 0.000 0.500 419 E N 0.195 120.319 120.200 -0.126 0.000 2.019 419 E HA 0.045 4.395 4.350 -0.000 0.000 0.208 419 E C 1.212 177.850 176.600 0.064 0.000 1.030 419 E CA 2.257 58.646 56.400 -0.018 0.000 0.856 419 E CB -0.177 29.548 29.700 0.041 0.000 0.781 419 E HN 0.837 nan 8.360 nan 0.000 0.471 420 F N -1.785 118.215 119.950 0.083 0.000 2.509 420 F HA 0.517 5.044 4.527 -0.000 0.000 0.334 420 F C 1.017 176.883 175.800 0.109 0.000 1.060 420 F CA -1.012 57.020 58.000 0.053 0.000 0.997 420 F CB 0.629 39.627 39.000 -0.004 0.000 1.271 420 F HN -0.219 nan 8.300 nan 0.000 0.488 421 N N -0.088 118.770 118.700 0.263 0.000 2.409 421 N HA 0.090 4.830 4.740 -0.000 0.000 0.174 421 N C -0.479 175.161 175.510 0.217 0.000 1.037 421 N CA 0.658 53.823 53.050 0.192 0.000 0.898 421 N CB 0.927 39.480 38.487 0.109 0.000 1.010 421 N HN 0.302 nan 8.380 nan 0.000 0.445 422 V N 2.243 122.273 119.914 0.194 0.000 2.487 422 V HA 0.332 4.452 4.120 -0.000 0.000 0.298 422 V C -0.625 175.395 176.094 -0.123 0.000 1.028 422 V CA -0.877 61.421 62.300 -0.002 0.000 0.860 422 V CB 2.292 34.088 31.823 -0.046 0.000 0.991 422 V HN -0.001 nan 8.190 nan 0.000 0.427 423 L N 6.669 127.629 121.223 -0.439 0.000 2.287 423 L HA 0.664 5.004 4.340 -0.000 0.000 0.287 423 L C -0.516 176.123 176.870 -0.386 0.000 1.022 423 L CA 0.114 54.664 54.840 -0.484 0.000 0.814 423 L CB 1.563 43.067 42.059 -0.926 0.000 1.217 423 L HN 0.458 nan 8.230 nan 0.000 0.420 424 V N 5.591 125.334 119.914 -0.285 0.000 2.347 424 V HA 0.906 5.026 4.120 -0.000 0.000 0.280 424 V C 0.198 176.198 176.094 -0.158 0.000 1.021 424 V CA -0.007 62.147 62.300 -0.244 0.000 0.847 424 V CB 0.687 32.387 31.823 -0.205 0.000 0.990 424 V HN 0.977 nan 8.190 nan 0.000 0.444 425 A N 3.503 126.224 122.820 -0.166 0.000 2.569 425 A HA 0.896 5.216 4.320 -0.000 0.000 0.290 425 A C -0.293 177.364 177.584 0.122 0.000 1.136 425 A CA -0.397 51.650 52.037 0.016 0.000 0.710 425 A CB 2.134 21.175 19.000 0.068 0.000 1.303 425 A HN 0.633 nan 8.150 nan 0.000 0.413 426 T N -1.032 113.627 114.554 0.176 0.000 2.880 426 T HA 0.408 4.758 4.350 -0.000 0.000 0.279 426 T C 1.565 176.397 174.700 0.220 0.000 0.990 426 T CA 0.523 62.720 62.100 0.162 0.000 0.938 426 T CB 0.643 69.562 68.868 0.085 0.000 1.206 426 T HN 0.729 nan 8.240 nan 0.000 0.573 427 S N 0.319 116.083 115.700 0.107 0.000 2.399 427 S HA -0.165 4.305 4.470 -0.000 0.000 0.235 427 S C 2.039 176.706 174.600 0.112 0.000 1.063 427 S CA 1.596 59.826 58.200 0.050 0.000 1.070 427 S CB -0.894 62.306 63.200 0.000 0.000 0.904 427 S HN 0.596 nan 8.310 nan 0.000 0.456 428 V N 1.769 121.773 119.914 0.149 0.000 2.688 428 V HA -0.046 4.074 4.120 -0.000 0.000 0.256 428 V C 1.693 177.967 176.094 0.299 0.000 1.084 428 V CA 1.786 64.201 62.300 0.192 0.000 1.103 428 V CB -0.821 31.108 31.823 0.177 0.000 0.688 428 V HN 0.542 nan 8.190 nan 0.000 0.480 429 G N 0.191 109.188 108.800 0.329 0.000 3.440 429 G HA2 0.072 4.032 3.960 -0.000 0.000 0.263 429 G HA3 0.072 4.032 3.960 -0.000 0.000 0.263 429 G C 0.869 175.841 174.900 0.119 0.000 1.236 429 G CA 0.457 45.645 45.100 0.146 0.000 0.927 429 G HN 0.778 nan 8.290 nan 0.000 0.530 430 E N -0.353 119.974 120.200 0.212 0.000 2.418 430 E HA -0.059 4.291 4.350 -0.000 0.000 0.197 430 E C 1.664 178.335 176.600 0.118 0.000 1.026 430 E CA 0.679 57.210 56.400 0.218 0.000 0.862 430 E CB -0.015 29.730 29.700 0.076 0.000 0.799 430 E HN 0.472 nan 8.360 nan 0.000 0.518 431 E N 0.362 120.585 120.200 0.038 0.000 2.482 431 E HA -0.022 4.328 4.350 -0.000 0.000 0.196 431 E C 1.618 178.195 176.600 -0.038 0.000 1.047 431 E CA 0.560 56.971 56.400 0.020 0.000 0.869 431 E CB -0.175 29.555 29.700 0.051 0.000 0.836 431 E HN 0.509 nan 8.360 nan 0.000 0.520 432 G N 0.509 109.236 108.800 -0.121 0.000 2.650 432 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.214 432 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.214 432 G C 1.366 176.273 174.900 0.011 0.000 1.136 432 G CA -0.049 44.987 45.100 -0.106 0.000 0.789 432 G HN 0.184 nan 8.290 nan 0.000 0.536 433 L N 0.088 121.347 121.223 0.061 0.000 2.376 433 L HA 0.074 4.414 4.340 -0.000 0.000 0.219 433 L C 1.579 178.494 176.870 0.074 0.000 1.133 433 L CA 0.433 55.327 54.840 0.090 0.000 0.816 433 L CB 0.048 42.197 42.059 0.150 0.000 0.933 433 L HN 0.030 nan 8.230 nan 0.000 0.449 434 D N -0.404 120.035 120.400 0.065 0.000 2.340 434 D HA 0.052 4.692 4.640 -0.000 0.000 0.220 434 D C 0.346 176.667 176.300 0.035 0.000 1.039 434 D CA 0.306 54.372 54.000 0.110 0.000 0.866 434 D CB 0.426 41.283 40.800 0.095 0.000 0.913 434 D HN 0.003 nan 8.370 nan 0.000 0.523 435 V N 2.480 122.329 119.914 -0.108 0.000 2.498 435 V HA 0.159 4.279 4.120 -0.000 0.000 0.279 435 V C -1.933 173.846 176.094 -0.526 0.000 1.048 435 V CA -1.491 60.646 62.300 -0.272 0.000 0.967 435 V CB 1.326 32.961 31.823 -0.313 0.000 0.988 435 V HN -0.077 nan 8.190 nan 0.000 0.473 436 P HA 0.020 nan 4.420 nan 0.000 0.268 436 P C 0.314 177.316 177.300 -0.497 0.000 1.208 436 P CA -0.042 62.532 63.100 -0.878 0.000 0.777 436 P CB 0.218 31.610 31.700 -0.513 0.000 0.875 437 E N 0.091 120.079 120.200 -0.353 0.000 2.149 437 E HA -0.217 4.133 4.350 -0.000 0.000 0.191 437 E C -0.645 175.821 176.600 -0.224 0.000 1.384 437 E CA -0.222 56.052 56.400 -0.209 0.000 0.698 437 E CB -0.628 28.971 29.700 -0.168 0.000 1.086 437 E HN 0.204 nan 8.360 nan 0.000 0.338 438 V N 1.802 121.592 119.914 -0.207 0.000 2.372 438 V HA 0.079 4.199 4.120 -0.000 0.000 0.261 438 V C 1.130 177.176 176.094 -0.080 0.000 1.055 438 V CA 0.202 62.401 62.300 -0.169 0.000 0.930 438 V CB 1.311 33.057 31.823 -0.128 0.000 1.031 438 V HN 0.392 nan 8.190 nan 0.000 0.479 439 D N 4.754 125.114 120.400 -0.067 0.000 2.123 439 D HA -0.054 4.586 4.640 -0.000 0.000 0.196 439 D C 0.476 176.765 176.300 -0.017 0.000 0.992 439 D CA 2.033 56.011 54.000 -0.037 0.000 0.833 439 D CB 0.441 41.222 40.800 -0.031 0.000 0.954 439 D HN 0.584 nan 8.370 nan 0.000 0.455 440 L N -0.891 120.328 121.223 -0.007 0.000 2.591 440 L HA 0.326 4.666 4.340 -0.000 0.000 0.257 440 L C -1.492 175.369 176.870 -0.015 0.000 0.935 440 L CA -0.769 54.069 54.840 -0.003 0.000 0.873 440 L CB 2.300 44.358 42.059 -0.001 0.000 1.397 440 L HN -0.174 nan 8.230 nan 0.000 0.414 441 V N 2.654 122.560 119.914 -0.013 0.000 2.680 441 V HA 0.911 5.031 4.120 -0.000 0.000 0.309 441 V C -1.524 174.539 176.094 -0.051 0.000 1.052 441 V CA -0.424 61.827 62.300 -0.083 0.000 0.908 441 V CB 1.830 33.609 31.823 -0.073 0.000 1.001 441 V HN 0.950 nan 8.190 nan 0.000 0.431 442 V N 6.041 125.883 119.914 -0.120 0.000 2.577 442 V HA 0.635 4.755 4.120 -0.000 0.000 0.303 442 V C -1.180 174.889 176.094 -0.042 0.000 1.042 442 V CA -0.516 61.778 62.300 -0.011 0.000 0.872 442 V CB 1.618 33.452 31.823 0.017 0.000 0.998 442 V HN 0.842 nan 8.190 nan 0.000 0.423 443 F N 6.745 126.743 119.950 0.080 0.000 2.421 443 F HA 0.332 4.859 4.527 -0.000 0.000 0.358 443 F C 0.971 176.822 175.800 0.084 0.000 1.115 443 F CA 0.160 58.221 58.000 0.103 0.000 1.160 443 F CB 0.952 39.953 39.000 0.001 0.000 1.123 443 F HN 0.713 nan 8.300 nan 0.000 0.508 444 Y N 1.711 122.084 120.300 0.122 0.000 2.207 444 Y HA -0.163 4.387 4.550 -0.000 0.000 0.287 444 Y C 0.364 176.310 175.900 0.077 0.000 1.156 444 Y CA 1.158 59.290 58.100 0.054 0.000 1.182 444 Y CB 0.316 38.786 38.460 0.016 0.000 0.979 444 Y HN 0.537 nan 8.280 nan 0.000 0.521 445 E N -1.761 118.540 120.200 0.169 0.000 2.449 445 E HA 0.321 4.671 4.350 -0.000 0.000 0.278 445 E C -2.794 173.831 176.600 0.041 0.000 0.992 445 E CA -2.496 53.939 56.400 0.059 0.000 0.807 445 E CB 1.291 31.046 29.700 0.091 0.000 1.350 445 E HN -0.234 nan 8.360 nan 0.000 0.462 446 P HA 0.115 nan 4.420 nan 0.000 0.276 446 P C -0.938 176.173 177.300 -0.315 0.000 1.243 446 P CA -0.187 62.713 63.100 -0.333 0.000 0.768 446 P CB 0.523 31.943 31.700 -0.466 0.000 0.856 447 V N 7.660 127.445 119.914 -0.215 0.000 2.239 447 V HA 0.142 4.262 4.120 -0.000 0.000 0.267 447 V C -1.429 174.558 176.094 -0.178 0.000 1.056 447 V CA -1.590 60.639 62.300 -0.118 0.000 0.830 447 V CB 0.867 32.730 31.823 0.068 0.000 1.090 447 V HN 0.484 nan 8.190 nan 0.000 0.459 448 P HA -0.344 nan 4.420 nan 0.000 0.222 448 P C 2.076 179.326 177.300 -0.084 0.000 1.147 448 P CA 2.586 65.635 63.100 -0.084 0.000 0.958 448 P CB 0.066 31.757 31.700 -0.015 0.000 0.788 449 S N -0.843 114.812 115.700 -0.074 0.000 2.365 449 S HA -0.265 4.205 4.470 -0.000 0.000 0.225 449 S C 2.084 176.629 174.600 -0.092 0.000 1.039 449 S CA 1.931 60.092 58.200 -0.064 0.000 1.033 449 S CB -1.576 61.592 63.200 -0.054 0.000 0.887 449 S HN 0.216 nan 8.310 nan 0.000 0.447 450 A N 1.654 124.371 122.820 -0.171 0.000 1.898 450 A HA 0.176 4.496 4.320 -0.000 0.000 0.216 450 A C 2.313 179.885 177.584 -0.020 0.000 1.181 450 A CA 1.311 53.199 52.037 -0.248 0.000 0.620 450 A CB -0.815 17.690 19.000 -0.825 0.000 0.819 450 A HN 0.607 nan 8.150 nan 0.000 0.442 451 I N -1.104 119.408 120.570 -0.096 0.000 2.264 451 I HA -0.264 3.906 4.170 -0.000 0.000 0.248 451 I C 2.791 178.901 176.117 -0.012 0.000 1.111 451 I CA 1.341 62.530 61.300 -0.186 0.000 1.382 451 I CB -0.312 37.376 38.000 -0.521 0.000 1.060 451 I HN 0.336 nan 8.210 nan 0.000 0.418 452 R N 0.156 120.640 120.500 -0.028 0.000 2.073 452 R HA -0.185 4.155 4.340 -0.000 0.000 0.234 452 R C 2.590 178.923 176.300 0.055 0.000 1.134 452 R CA 1.832 57.942 56.100 0.016 0.000 0.952 452 R CB -0.316 29.983 30.300 -0.001 0.000 0.850 452 R HN 0.245 nan 8.270 nan 0.000 0.433 453 S N 0.681 116.408 115.700 0.044 0.000 2.359 453 S HA -0.190 4.280 4.470 -0.000 0.000 0.222 453 S C 1.984 176.646 174.600 0.104 0.000 1.038 453 S CA 1.708 59.946 58.200 0.062 0.000 1.051 453 S CB -0.308 62.918 63.200 0.044 0.000 0.944 453 S HN 0.303 nan 8.310 nan 0.000 0.433 454 I N 1.027 121.692 120.570 0.159 0.000 2.151 454 I HA -0.284 3.886 4.170 -0.000 0.000 0.243 454 I C 2.893 179.107 176.117 0.163 0.000 1.080 454 I CA 1.904 63.318 61.300 0.190 0.000 1.339 454 I CB -0.528 37.664 38.000 0.320 0.000 1.039 454 I HN 0.469 nan 8.210 nan 0.000 0.409 455 Q N 0.473 120.405 119.800 0.219 0.000 2.096 455 Q HA -0.233 4.107 4.340 -0.000 0.000 0.204 455 Q C 2.413 178.472 176.000 0.099 0.000 0.982 455 Q CA 1.757 57.670 55.803 0.184 0.000 0.850 455 Q CB 0.020 28.863 28.738 0.176 0.000 0.901 455 Q HN 0.427 nan 8.270 nan 0.000 0.422 456 R N -0.134 120.415 120.500 0.082 0.000 2.062 456 R HA -0.086 4.254 4.340 -0.000 0.000 0.231 456 R C 2.232 178.564 176.300 0.053 0.000 1.136 456 R CA 1.360 57.495 56.100 0.057 0.000 0.948 456 R CB -0.327 30.003 30.300 0.051 0.000 0.845 456 R HN 0.255 nan 8.270 nan 0.000 0.430 457 R N 0.379 120.914 120.500 0.059 0.000 2.170 457 R HA -0.102 4.238 4.340 -0.000 0.000 0.242 457 R C 2.181 178.504 176.300 0.038 0.000 1.145 457 R CA 1.520 57.649 56.100 0.048 0.000 0.984 457 R CB -1.087 29.247 30.300 0.056 0.000 0.869 457 R HN 0.343 nan 8.270 nan 0.000 0.455 458 G N 1.017 109.840 108.800 0.039 0.000 2.498 458 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.219 458 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.219 458 G C 1.616 176.541 174.900 0.043 0.000 1.119 458 G CA 0.276 45.394 45.100 0.029 0.000 0.766 458 G HN 0.259 nan 8.290 nan 0.000 0.552 459 R N -0.223 120.305 120.500 0.048 0.000 2.140 459 R HA 0.149 4.489 4.340 -0.000 0.000 0.213 459 R C 2.020 178.362 176.300 0.070 0.000 1.059 459 R CA 1.041 57.176 56.100 0.059 0.000 1.000 459 R CB -0.060 30.263 30.300 0.038 0.000 0.910 459 R HN 0.457 nan 8.270 nan 0.000 0.455 460 T N -4.028 110.554 114.554 0.047 0.000 2.891 460 T HA 0.398 4.748 4.350 -0.000 0.000 0.294 460 T C 1.095 175.808 174.700 0.022 0.000 1.065 460 T CA -0.339 61.781 62.100 0.032 0.000 0.936 460 T CB 1.349 70.228 68.868 0.018 0.000 1.415 460 T HN 0.107 nan 8.240 nan 0.000 0.572 461 G N -0.470 108.326 108.800 -0.007 0.000 3.774 461 G HA2 0.296 4.256 3.960 -0.000 0.000 0.287 461 G HA3 0.296 4.256 3.960 -0.000 0.000 0.287 461 G C 0.360 175.213 174.900 -0.079 0.000 1.030 461 G CA -0.615 44.469 45.100 -0.028 0.000 0.824 461 G HN 0.575 nan 8.290 nan 0.000 0.518 462 R N -0.046 120.415 120.500 -0.065 0.000 2.707 462 R HA 0.246 4.586 4.340 -0.000 0.000 0.270 462 R C -0.286 175.958 176.300 -0.094 0.000 1.083 462 R CA -0.528 55.508 56.100 -0.107 0.000 1.182 462 R CB 0.413 30.695 30.300 -0.030 0.000 1.084 462 R HN 0.411 nan 8.270 nan 0.000 0.528 463 H N 0.359 119.428 119.070 -0.002 0.000 3.064 463 H HA -0.032 4.524 4.556 -0.000 0.000 0.329 463 H C -0.083 175.246 175.328 0.001 0.000 1.020 463 H CA 0.521 56.563 56.048 -0.010 0.000 1.402 463 H CB 0.447 30.195 29.762 -0.024 0.000 1.379 463 H HN 0.219 nan 8.280 nan 0.000 0.594 464 M N 4.515 124.191 119.600 0.127 0.000 2.464 464 M HA 0.391 4.871 4.480 -0.000 0.000 0.308 464 M C -2.612 173.716 176.300 0.047 0.000 1.127 464 M CA -1.966 53.376 55.300 0.069 0.000 0.913 464 M CB 1.761 34.379 32.600 0.030 0.000 1.689 464 M HN 0.283 nan 8.290 nan 0.000 0.445 465 P HA 0.255 nan 4.420 nan 0.000 0.269 465 P C 0.392 177.691 177.300 -0.003 0.000 1.215 465 P CA -0.111 62.999 63.100 0.017 0.000 0.780 465 P CB 0.570 32.294 31.700 0.040 0.000 0.898 466 G N 1.702 110.495 108.800 -0.012 0.000 2.418 466 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.217 466 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.217 466 G C 0.318 175.206 174.900 -0.020 0.000 1.158 466 G CA 0.488 45.577 45.100 -0.017 0.000 0.771 466 G HN 0.697 nan 8.290 nan 0.000 0.545 467 R N -1.938 118.554 120.500 -0.014 0.000 2.692 467 R HA 0.579 4.918 4.340 -0.000 0.000 0.269 467 R C -1.923 174.383 176.300 0.009 0.000 1.030 467 R CA -0.796 55.295 56.100 -0.016 0.000 0.882 467 R CB 1.680 31.976 30.300 -0.008 0.000 1.250 467 R HN 0.359 nan 8.270 nan 0.000 0.465 468 V N 0.604 120.530 119.914 0.020 0.000 2.841 468 V HA 0.726 4.846 4.120 -0.000 0.000 0.310 468 V C -1.071 175.089 176.094 0.110 0.000 1.090 468 V CA -0.767 61.597 62.300 0.107 0.000 0.930 468 V CB 1.896 33.858 31.823 0.231 0.000 1.014 468 V HN 0.822 nan 8.190 nan 0.000 0.425 469 I N 5.576 126.223 120.570 0.129 0.000 2.569 469 I HA 0.568 4.738 4.170 -0.000 0.000 0.296 469 I C -0.878 175.293 176.117 0.091 0.000 1.028 469 I CA -0.845 60.494 61.300 0.065 0.000 1.082 469 I CB 2.220 40.246 38.000 0.044 0.000 1.264 469 I HN 0.480 nan 8.210 nan 0.000 0.429 470 I N 6.473 126.972 120.570 -0.119 0.000 2.389 470 I HA 0.393 4.563 4.170 -0.000 0.000 0.288 470 I C -0.286 175.779 176.117 -0.087 0.000 0.999 470 I CA -0.507 60.672 61.300 -0.202 0.000 1.129 470 I CB 1.481 38.964 38.000 -0.862 0.000 1.288 470 I HN 0.351 nan 8.210 nan 0.000 0.444 471 L N 7.245 128.461 121.223 -0.011 0.000 2.292 471 L HA 0.559 4.899 4.340 -0.000 0.000 0.284 471 L C 0.056 176.919 176.870 -0.012 0.000 1.065 471 L CA -0.403 54.419 54.840 -0.030 0.000 0.806 471 L CB 1.108 43.101 42.059 -0.111 0.000 1.175 471 L HN 0.593 nan 8.230 nan 0.000 0.431 472 M N 2.337 121.952 119.600 0.025 0.000 2.213 472 M HA 0.656 5.135 4.480 -0.000 0.000 0.286 472 M C -0.891 175.419 176.300 0.017 0.000 1.008 472 M CA -0.665 54.664 55.300 0.048 0.000 0.937 472 M CB 2.027 34.703 32.600 0.126 0.000 1.600 472 M HN 0.487 nan 8.290 nan 0.000 0.450 473 A N 3.738 126.567 122.820 0.016 0.000 2.395 473 A HA 0.278 4.598 4.320 -0.000 0.000 0.286 473 A C 0.387 177.992 177.584 0.035 0.000 1.193 473 A CA -0.261 51.785 52.037 0.014 0.000 0.852 473 A CB 0.194 19.212 19.000 0.030 0.000 1.118 473 A HN 0.794 nan 8.150 nan 0.000 0.524 474 K N 2.002 122.416 120.400 0.023 0.000 2.476 474 K HA -0.032 4.288 4.320 -0.000 0.000 0.273 474 K C 1.429 178.062 176.600 0.055 0.000 1.056 474 K CA 1.664 57.972 56.287 0.035 0.000 1.150 474 K CB -0.372 32.143 32.500 0.024 0.000 0.838 474 K HN 1.711 nan 8.250 nan 0.000 0.486 475 G N 2.677 111.517 108.800 0.067 0.000 2.267 475 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.257 475 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.257 475 G C 0.466 175.413 174.900 0.079 0.000 0.998 475 G CA 0.997 46.140 45.100 0.072 0.000 0.620 475 G HN 0.860 nan 8.290 nan 0.000 0.529 476 T N -2.363 112.241 114.554 0.084 0.000 2.771 476 T HA 0.561 4.911 4.350 -0.000 0.000 0.290 476 T C 1.286 176.049 174.700 0.105 0.000 1.005 476 T CA 0.374 62.526 62.100 0.087 0.000 0.944 476 T CB 1.216 70.140 68.868 0.092 0.000 1.147 476 T HN 0.191 nan 8.240 nan 0.000 0.534 477 R N 0.026 120.591 120.500 0.108 0.000 2.189 477 R HA -0.103 4.237 4.340 -0.000 0.000 0.223 477 R C 1.460 177.862 176.300 0.170 0.000 1.092 477 R CA 1.071 57.253 56.100 0.138 0.000 0.989 477 R CB -0.519 29.859 30.300 0.130 0.000 0.876 477 R HN 0.645 nan 8.270 nan 0.000 0.457 478 D N 0.659 121.140 120.400 0.136 0.000 2.133 478 D HA -0.215 4.425 4.640 -0.000 0.000 0.192 478 D C 1.615 178.028 176.300 0.188 0.000 1.001 478 D CA 1.444 55.528 54.000 0.139 0.000 0.844 478 D CB -0.082 40.775 40.800 0.094 0.000 0.944 478 D HN 0.370 nan 8.370 nan 0.000 0.447 479 E N 0.079 120.364 120.200 0.142 0.000 2.047 479 E HA -0.101 4.249 4.350 -0.000 0.000 0.191 479 E C 2.151 178.870 176.600 0.199 0.000 0.987 479 E CA 0.823 57.291 56.400 0.114 0.000 0.799 479 E CB -0.094 29.675 29.700 0.115 0.000 0.752 479 E HN 0.191 nan 8.360 nan 0.000 0.449 480 A N 0.886 123.851 122.820 0.241 0.000 1.958 480 A HA -0.262 4.058 4.320 -0.000 0.000 0.221 480 A C 2.010 179.725 177.584 0.218 0.000 1.178 480 A CA 1.721 53.914 52.037 0.261 0.000 0.642 480 A CB -0.899 18.214 19.000 0.188 0.000 0.816 480 A HN 0.437 nan 8.150 nan 0.000 0.453 481 Y N -1.305 119.052 120.300 0.096 0.000 2.089 481 Y HA -0.299 4.251 4.550 -0.000 0.000 0.282 481 Y C 2.255 178.144 175.900 -0.019 0.000 1.139 481 Y CA 2.275 60.406 58.100 0.052 0.000 1.123 481 Y CB -0.834 37.663 38.460 0.063 0.000 0.980 481 Y HN 0.444 nan 8.280 nan 0.000 0.493 482 Y N -0.705 119.545 120.300 -0.083 0.000 2.173 482 Y HA -0.385 4.165 4.550 -0.000 0.000 0.282 482 Y C 1.756 177.316 175.900 -0.566 0.000 1.192 482 Y CA 2.101 59.903 58.100 -0.497 0.000 1.176 482 Y CB -0.918 37.002 38.460 -0.900 0.000 0.969 482 Y HN 0.316 nan 8.280 nan 0.000 0.519 483 W N -0.268 120.867 121.300 -0.274 0.000 2.443 483 W HA -0.090 4.570 4.660 -0.000 0.000 0.296 483 W C 2.938 179.262 176.519 -0.326 0.000 1.202 483 W CA 1.109 58.264 57.345 -0.317 0.000 1.312 483 W CB -0.693 28.709 29.460 -0.097 0.000 1.120 483 W HN 0.162 nan 8.180 nan 0.000 0.536 484 S N -0.315 115.353 115.700 -0.053 0.000 2.474 484 S HA -0.141 4.329 4.470 -0.000 0.000 0.235 484 S C 1.574 176.018 174.600 -0.260 0.000 0.997 484 S CA 1.302 59.423 58.200 -0.131 0.000 0.949 484 S CB -0.635 62.496 63.200 -0.115 0.000 0.766 484 S HN 0.170 nan 8.310 nan 0.000 0.517 485 S N -0.346 115.095 115.700 -0.431 0.000 2.559 485 S HA 0.350 4.820 4.470 -0.000 0.000 0.226 485 S C 1.457 175.827 174.600 -0.384 0.000 1.000 485 S CA -0.580 57.356 58.200 -0.441 0.000 0.948 485 S CB -0.134 62.661 63.200 -0.674 0.000 0.870 485 S HN 0.284 nan 8.310 nan 0.000 0.497 486 R N 2.138 122.359 120.500 -0.465 0.000 2.346 486 R HA 0.212 4.552 4.340 -0.000 0.000 0.199 486 R C 0.672 176.836 176.300 -0.226 0.000 1.015 486 R CA 0.211 56.021 56.100 -0.483 0.000 1.058 486 R CB -0.468 29.396 30.300 -0.726 0.000 0.921 486 R HN 0.767 nan 8.270 nan 0.000 0.475 487 Q N 0.000 119.693 119.800 -0.179 0.000 2.315 487 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 487 Q CA 0.000 55.739 55.803 -0.107 0.000 1.022 487 Q CB 0.000 28.684 28.738 -0.089 0.000 1.108 487 Q HN 0.000 nan 8.270 nan 0.000 0.481