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 3mkr_1_A DATA FIRST_RESID 17 DATA SEQUENCE DELFDVKNAF YIGSYQQCIN EAQRVKPSSP ERDVERDVFL YRAYLAQRKY DATA SEQUENCE GVVLDEIKPS SAPELQAVRM FAEYLASHSR RDAIVAELDR EMSRSVDVTN DATA SEQUENCE TTFLLMAASI YFYDQNPDAA LRTLHQGDSL ECMAMTVQIL LKLDRLDLAR DATA SEQUENCE KELKKMQDQD EDATLTQLAT AWVSLAAGGE KLQDAYYIFQ EMADKCSPTL DATA SEQUENCE LLLNGQAACH MAQGRWEAAE GVLQEALDKD SGHPETLINL VVLSQHLGKP DATA SEQUENCE PEVTNRYLSQ LKDAHRSHPF IKEYRAKEND FDRLVLQYAP S 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 17 D HA 0.000 nan 4.640 nan 0.000 0.175 17 D C 0.000 176.345 176.300 0.075 0.000 2.045 17 D CA 0.000 54.045 54.000 0.075 0.000 0.868 17 D CB 0.000 40.886 40.800 0.144 0.000 0.688 18 E N 2.568 122.798 120.200 0.050 0.000 2.285 18 E HA 0.008 4.358 4.350 0.000 0.000 0.194 18 E C 1.088 177.714 176.600 0.043 0.000 0.997 18 E CA 0.362 56.786 56.400 0.040 0.000 0.845 18 E CB 0.311 30.026 29.700 0.025 0.000 0.782 18 E HN 0.382 nan 8.360 nan 0.000 0.491 19 L N 0.767 122.008 121.223 0.030 0.000 2.741 19 L HA 0.210 4.550 4.340 0.000 0.000 0.237 19 L C 1.308 178.144 176.870 -0.056 0.000 1.178 19 L CA -0.465 54.351 54.840 -0.040 0.000 0.973 19 L CB -0.169 41.827 42.059 -0.104 0.000 1.255 19 L HN 0.070 nan 8.230 nan 0.000 0.498 20 F N 1.343 121.240 119.950 -0.089 0.000 2.095 20 F HA -0.262 4.265 4.527 0.000 0.000 0.298 20 F C 2.087 177.844 175.800 -0.071 0.000 1.104 20 F CA 1.897 59.856 58.000 -0.069 0.000 1.232 20 F CB 0.145 39.125 39.000 -0.034 0.000 0.987 20 F HN 0.211 nan 8.300 nan 0.000 0.475 21 D N 0.181 120.677 120.400 0.161 0.000 2.097 21 D HA -0.156 4.484 4.640 0.000 0.000 0.195 21 D C 2.555 178.793 176.300 -0.103 0.000 0.989 21 D CA 1.863 55.892 54.000 0.048 0.000 0.827 21 D CB -0.672 40.190 40.800 0.104 0.000 0.966 21 D HN 0.257 nan 8.370 nan 0.000 0.456 22 V N 1.712 121.553 119.914 -0.121 0.000 2.231 22 V HA -0.316 3.804 4.120 0.000 0.000 0.250 22 V C 2.385 178.299 176.094 -0.300 0.000 1.058 22 V CA 1.972 64.169 62.300 -0.172 0.000 1.022 22 V CB -0.571 31.134 31.823 -0.196 0.000 0.640 22 V HN 0.179 nan 8.190 nan 0.000 0.445 23 K N 0.033 120.091 120.400 -0.569 0.000 2.026 23 K HA -0.175 4.145 4.320 0.000 0.000 0.208 23 K C 2.235 178.616 176.600 -0.365 0.000 1.048 23 K CA 1.625 57.426 56.287 -0.810 0.000 0.929 23 K CB -0.421 31.578 32.500 -0.835 0.000 0.713 23 K HN 0.448 nan 8.250 nan 0.000 0.439 24 N N 0.696 119.219 118.700 -0.295 0.000 2.069 24 N HA -0.175 4.565 4.740 0.000 0.000 0.191 24 N C 1.859 177.346 175.510 -0.039 0.000 1.031 24 N CA 1.359 54.316 53.050 -0.154 0.000 0.852 24 N CB -0.053 38.191 38.487 -0.404 0.000 1.018 24 N HN 0.193 nan 8.380 nan 0.000 0.423 25 A N 0.745 123.528 122.820 -0.061 0.000 1.908 25 A HA -0.194 4.126 4.320 0.000 0.000 0.218 25 A C 2.026 179.623 177.584 0.021 0.000 1.181 25 A CA 1.163 53.187 52.037 -0.022 0.000 0.627 25 A CB -0.990 18.000 19.000 -0.017 0.000 0.818 25 A HN 0.447 nan 8.150 nan 0.000 0.445 26 F N -0.489 119.410 119.950 -0.085 0.000 2.051 26 F HA -0.207 4.320 4.527 0.000 0.000 0.296 26 F C 2.192 178.050 175.800 0.097 0.000 1.122 26 F CA 1.861 59.877 58.000 0.027 0.000 1.201 26 F CB -0.675 38.321 39.000 -0.007 0.000 0.978 26 F HN 0.344 nan 8.300 nan 0.000 0.472 27 Y N 0.683 121.084 120.300 0.167 0.000 2.207 27 Y HA -0.212 4.338 4.550 0.000 0.000 0.287 27 Y C 2.334 178.236 175.900 0.004 0.000 1.156 27 Y CA 1.223 59.362 58.100 0.065 0.000 1.182 27 Y CB -0.624 37.934 38.460 0.163 0.000 0.979 27 Y HN 0.252 nan 8.280 nan 0.000 0.521 28 I N -2.858 117.780 120.570 0.114 0.000 3.564 28 I HA 0.348 4.518 4.170 0.000 0.000 0.294 28 I C 1.500 177.560 176.117 -0.095 0.000 1.289 28 I CA 0.919 62.245 61.300 0.044 0.000 1.325 28 I CB -0.242 37.769 38.000 0.019 0.000 1.039 28 I HN 0.210 nan 8.210 nan 0.000 0.474 29 G N 1.812 110.457 108.800 -0.259 0.000 2.157 29 G HA2 -0.256 3.704 3.960 0.000 0.000 0.239 29 G HA3 -0.256 3.704 3.960 0.000 0.000 0.239 29 G C 0.346 174.623 174.900 -1.038 0.000 0.982 29 G CA 0.175 44.877 45.100 -0.664 0.000 0.650 29 G HN 0.732 nan 8.290 nan 0.000 0.527 30 S N 0.532 115.866 115.700 -0.610 0.000 2.695 30 S HA 0.614 5.084 4.470 0.000 0.000 0.275 30 S C 1.026 175.441 174.600 -0.307 0.000 1.203 30 S CA -0.522 57.415 58.200 -0.439 0.000 1.061 30 S CB 0.340 63.416 63.200 -0.207 0.000 1.152 30 S HN 0.283 nan 8.310 nan 0.000 0.495 31 Y N 1.611 121.892 120.300 -0.031 0.000 2.200 31 Y HA -0.078 4.472 4.550 0.000 0.000 0.290 31 Y C 2.704 178.563 175.900 -0.068 0.000 1.137 31 Y CA 1.127 59.217 58.100 -0.017 0.000 1.163 31 Y CB -0.899 37.548 38.460 -0.022 0.000 0.988 31 Y HN 0.539 nan 8.280 nan 0.000 0.518 32 Q N 0.763 120.590 119.800 0.045 0.000 2.124 32 Q HA -0.216 4.124 4.340 0.000 0.000 0.202 32 Q C 2.302 178.285 176.000 -0.028 0.000 0.977 32 Q CA 1.892 57.682 55.803 -0.022 0.000 0.850 32 Q CB -0.394 28.334 28.738 -0.017 0.000 0.901 32 Q HN 0.620 nan 8.270 nan 0.000 0.429 33 Q N -1.137 118.648 119.800 -0.026 0.000 2.124 33 Q HA -0.173 4.167 4.340 0.000 0.000 0.202 33 Q C 2.256 178.249 176.000 -0.011 0.000 0.977 33 Q CA 1.579 57.368 55.803 -0.023 0.000 0.850 33 Q CB -0.388 28.329 28.738 -0.035 0.000 0.901 33 Q HN 0.600 nan 8.270 nan 0.000 0.429 34 C N 0.062 119.371 119.300 0.015 0.000 2.432 34 C HA -0.098 4.362 4.460 0.000 0.000 0.277 34 C C 2.510 177.498 174.990 -0.004 0.000 1.249 34 C CA 0.608 59.650 59.018 0.039 0.000 1.725 34 C CB -1.030 26.812 27.740 0.169 0.000 2.028 34 C HN 0.625 nan 8.230 nan 0.000 0.477 35 I N 1.321 121.861 120.570 -0.050 0.000 2.226 35 I HA -0.190 3.980 4.170 0.000 0.000 0.245 35 I C 2.317 178.404 176.117 -0.051 0.000 1.100 35 I CA 2.122 63.352 61.300 -0.115 0.000 1.374 35 I CB -0.821 37.006 38.000 -0.289 0.000 1.057 35 I HN 0.526 nan 8.210 nan 0.000 0.413 36 N N 0.578 119.257 118.700 -0.034 0.000 2.084 36 N HA -0.199 4.541 4.740 0.000 0.000 0.190 36 N C 1.729 177.235 175.510 -0.006 0.000 1.030 36 N CA 1.257 54.299 53.050 -0.012 0.000 0.849 36 N CB -0.065 38.417 38.487 -0.009 0.000 1.012 36 N HN 0.408 nan 8.380 nan 0.000 0.423 37 E N 0.861 121.056 120.200 -0.009 0.000 2.106 37 E HA -0.119 4.231 4.350 0.000 0.000 0.192 37 E C 2.143 178.739 176.600 -0.006 0.000 0.984 37 E CA 0.716 57.114 56.400 -0.005 0.000 0.806 37 E CB -0.100 29.596 29.700 -0.007 0.000 0.750 37 E HN 0.372 nan 8.360 nan 0.000 0.458 38 A N 1.587 124.399 122.820 -0.012 0.000 1.917 38 A HA -0.306 4.014 4.320 0.000 0.000 0.219 38 A C 2.062 179.647 177.584 0.002 0.000 1.182 38 A CA 1.751 53.783 52.037 -0.009 0.000 0.633 38 A CB -0.502 18.489 19.000 -0.014 0.000 0.819 38 A HN 0.214 nan 8.150 nan 0.000 0.448 39 Q N -1.424 118.379 119.800 0.005 0.000 2.187 39 Q HA -0.021 4.319 4.340 0.000 0.000 0.199 39 Q C 2.173 178.181 176.000 0.014 0.000 0.957 39 Q CA 0.643 56.455 55.803 0.014 0.000 0.857 39 Q CB -0.043 28.707 28.738 0.020 0.000 0.929 39 Q HN 0.422 nan 8.270 nan 0.000 0.453 40 R N 0.299 120.805 120.500 0.010 0.000 2.148 40 R HA 0.029 4.369 4.340 0.000 0.000 0.227 40 R C 0.490 176.797 176.300 0.011 0.000 1.103 40 R CA 0.329 56.435 56.100 0.011 0.000 0.983 40 R CB -0.428 29.877 30.300 0.009 0.000 0.874 40 R HN 0.097 nan 8.270 nan 0.000 0.451 41 V N 3.014 122.935 119.914 0.011 0.000 2.715 41 V HA 0.019 4.139 4.120 0.000 0.000 0.299 41 V C 0.615 176.719 176.094 0.016 0.000 1.054 41 V CA 0.056 62.363 62.300 0.012 0.000 1.077 41 V CB 1.046 32.875 31.823 0.010 0.000 0.972 41 V HN -0.010 nan 8.190 nan 0.000 0.484 42 K N 6.117 126.526 120.400 0.016 0.000 2.206 42 K HA 0.396 4.716 4.320 0.000 0.000 0.264 42 K C -1.493 175.120 176.600 0.021 0.000 0.967 42 K CA -2.019 54.279 56.287 0.018 0.000 0.844 42 K CB 1.589 34.098 32.500 0.016 0.000 1.099 42 K HN 0.386 nan 8.250 nan 0.000 0.441 43 P HA -0.337 nan 4.420 nan 0.000 0.217 43 P C 0.236 177.551 177.300 0.025 0.000 0.848 43 P CA 2.263 65.380 63.100 0.028 0.000 1.049 43 P CB 0.059 31.776 31.700 0.029 0.000 0.690 44 S N -3.093 112.620 115.700 0.022 0.000 3.450 44 S HA -0.091 4.380 4.470 0.000 0.000 0.288 44 S C 0.022 174.635 174.600 0.021 0.000 1.256 44 S CA 0.777 58.988 58.200 0.020 0.000 0.910 44 S CB -2.351 60.859 63.200 0.018 0.000 1.090 44 S HN 0.939 nan 8.310 nan 0.000 0.630 45 S N 0.392 116.106 115.700 0.024 0.000 2.779 45 S HA 0.425 4.895 4.470 0.000 0.000 0.311 45 S C -2.210 172.408 174.600 0.030 0.000 0.807 45 S CA -0.064 58.151 58.200 0.026 0.000 0.761 45 S CB 0.937 64.154 63.200 0.028 0.000 0.974 45 S HN 0.092 nan 8.310 nan 0.000 0.518 46 P HA -0.098 nan 4.420 nan 0.000 0.223 46 P C 0.881 178.203 177.300 0.036 0.000 1.144 46 P CA 1.070 64.188 63.100 0.030 0.000 0.783 46 P CB 0.168 31.883 31.700 0.025 0.000 0.771 47 E N 0.542 120.764 120.200 0.037 0.000 2.014 47 E HA -0.077 4.273 4.350 0.000 0.000 0.190 47 E C 2.192 178.825 176.600 0.054 0.000 0.980 47 E CA 0.756 57.183 56.400 0.044 0.000 0.807 47 E CB -0.744 28.981 29.700 0.041 0.000 0.770 47 E HN 0.199 nan 8.360 nan 0.000 0.451 48 R N 1.318 121.848 120.500 0.050 0.000 2.103 48 R HA -0.143 4.197 4.340 0.000 0.000 0.242 48 R C 1.963 178.299 176.300 0.059 0.000 1.142 48 R CA 1.381 57.513 56.100 0.053 0.000 0.960 48 R CB -0.820 29.505 30.300 0.041 0.000 0.858 48 R HN 0.276 nan 8.270 nan 0.000 0.439 49 D N 0.512 120.944 120.400 0.053 0.000 2.149 49 D HA -0.101 4.539 4.640 0.000 0.000 0.198 49 D C 1.831 178.175 176.300 0.074 0.000 0.990 49 D CA 0.807 54.842 54.000 0.057 0.000 0.839 49 D CB 0.178 41.008 40.800 0.049 0.000 0.948 49 D HN -0.011 nan 8.370 nan 0.000 0.460 50 V N 0.681 120.639 119.914 0.073 0.000 2.379 50 V HA -0.121 3.999 4.120 0.000 0.000 0.245 50 V C 2.514 178.671 176.094 0.105 0.000 1.044 50 V CA 1.351 63.701 62.300 0.083 0.000 1.036 50 V CB -0.392 31.471 31.823 0.066 0.000 0.664 50 V HN 0.216 nan 8.190 nan 0.000 0.453 51 E N 0.041 120.309 120.200 0.113 0.000 2.085 51 E HA -0.280 4.070 4.350 0.000 0.000 0.194 51 E C 2.457 179.190 176.600 0.222 0.000 0.994 51 E CA 1.489 57.991 56.400 0.169 0.000 0.801 51 E CB -0.128 29.664 29.700 0.154 0.000 0.743 51 E HN 0.436 nan 8.360 nan 0.000 0.453 52 R N 0.769 121.355 120.500 0.143 0.000 2.070 52 R HA -0.158 4.182 4.340 0.000 0.000 0.233 52 R C 1.710 178.086 176.300 0.127 0.000 1.137 52 R CA 1.866 58.039 56.100 0.121 0.000 0.945 52 R CB -0.093 30.247 30.300 0.067 0.000 0.845 52 R HN 0.066 nan 8.270 nan 0.000 0.430 53 D N 0.167 120.642 120.400 0.126 0.000 2.149 53 D HA -0.138 4.502 4.640 0.000 0.000 0.198 53 D C 1.968 178.396 176.300 0.213 0.000 0.990 53 D CA 1.075 55.175 54.000 0.166 0.000 0.839 53 D CB -0.155 40.791 40.800 0.243 0.000 0.948 53 D HN 0.108 nan 8.370 nan 0.000 0.460 54 V N 0.474 120.478 119.914 0.149 0.000 2.287 54 V HA -0.248 3.872 4.120 0.000 0.000 0.248 54 V C 2.175 178.189 176.094 -0.133 0.000 1.053 54 V CA 1.421 63.742 62.300 0.035 0.000 1.027 54 V CB -0.541 31.249 31.823 -0.055 0.000 0.646 54 V HN 0.088 nan 8.190 nan 0.000 0.447 55 F N -0.865 119.005 119.950 -0.133 0.000 2.234 55 F HA -0.104 4.423 4.527 0.000 0.000 0.299 55 F C 2.064 177.726 175.800 -0.231 0.000 1.087 55 F CA 1.406 59.219 58.000 -0.312 0.000 1.340 55 F CB -0.495 38.310 39.000 -0.326 0.000 1.031 55 F HN 0.096 nan 8.300 nan 0.000 0.500 56 L N -0.571 120.650 121.223 -0.003 0.000 2.013 56 L HA -0.276 4.064 4.340 0.000 0.000 0.212 56 L C 1.938 178.729 176.870 -0.132 0.000 1.073 56 L CA 2.087 56.851 54.840 -0.128 0.000 0.753 56 L CB -1.028 40.872 42.059 -0.265 0.000 0.890 56 L HN 0.183 nan 8.230 nan 0.000 0.432 57 Y N -1.020 119.372 120.300 0.154 0.000 2.395 57 Y HA -0.022 4.528 4.550 0.000 0.000 0.293 57 Y C 2.547 178.512 175.900 0.109 0.000 1.123 57 Y CA 0.412 58.626 58.100 0.190 0.000 1.227 57 Y CB -0.193 38.327 38.460 0.099 0.000 1.012 57 Y HN 0.074 nan 8.280 nan 0.000 0.552 58 R N 0.222 120.753 120.500 0.051 0.000 2.081 58 R HA -0.140 4.200 4.340 0.000 0.000 0.235 58 R C 2.400 178.812 176.300 0.187 0.000 1.131 58 R CA 1.192 57.277 56.100 -0.024 0.000 0.960 58 R CB -0.958 28.963 30.300 -0.633 0.000 0.856 58 R HN 0.376 nan 8.270 nan 0.000 0.436 59 A N 0.143 123.039 122.820 0.127 0.000 1.902 59 A HA -0.162 4.158 4.320 0.000 0.000 0.217 59 A C 2.008 179.569 177.584 -0.038 0.000 1.181 59 A CA 1.079 53.216 52.037 0.167 0.000 0.623 59 A CB -0.750 18.305 19.000 0.092 0.000 0.818 59 A HN 0.321 nan 8.150 nan 0.000 0.443 60 Y N -1.087 119.242 120.300 0.048 0.000 2.274 60 Y HA -0.140 4.410 4.550 0.000 0.000 0.290 60 Y C 2.191 178.091 175.900 0.000 0.000 1.145 60 Y CA 1.078 59.194 58.100 0.027 0.000 1.203 60 Y CB -0.138 38.365 38.460 0.072 0.000 0.984 60 Y HN 0.267 nan 8.280 nan 0.000 0.533 61 L N -0.524 120.817 121.223 0.196 0.000 2.093 61 L HA -0.156 4.184 4.340 0.000 0.000 0.208 61 L C 2.468 179.347 176.870 0.016 0.000 1.085 61 L CA 1.769 56.702 54.840 0.156 0.000 0.755 61 L CB -1.031 41.138 42.059 0.184 0.000 0.904 61 L HN 0.170 nan 8.230 nan 0.000 0.435 62 A N -1.497 121.247 122.820 -0.126 0.000 1.969 62 A HA -0.208 4.112 4.320 0.000 0.000 0.218 62 A C 2.045 179.391 177.584 -0.397 0.000 1.169 62 A CA 1.292 53.052 52.037 -0.461 0.000 0.635 62 A CB -0.406 17.775 19.000 -1.365 0.000 0.810 62 A HN 0.590 nan 8.150 nan 0.000 0.445 63 Q N -1.377 118.273 119.800 -0.251 0.000 2.444 63 Q HA 0.123 4.463 4.340 0.000 0.000 0.206 63 Q C -0.199 175.724 176.000 -0.128 0.000 0.948 63 Q CA 0.072 55.815 55.803 -0.099 0.000 0.946 63 Q CB 0.166 28.888 28.738 -0.028 0.000 1.027 63 Q HN 0.612 nan 8.270 nan 0.000 0.513 64 R N 0.146 120.497 120.500 -0.248 0.000 3.878 64 R HA -0.105 4.235 4.340 0.000 0.000 0.330 64 R C -0.631 175.202 176.300 -0.778 0.000 1.186 64 R CA 0.454 56.162 56.100 -0.653 0.000 0.885 64 R CB -1.118 28.943 30.300 -0.398 0.000 1.377 64 R HN 0.003 nan 8.270 nan 0.000 0.523 65 K N 0.997 121.196 120.400 -0.334 0.000 2.758 65 K HA 0.119 4.439 4.320 0.000 0.000 0.250 65 K C 0.651 177.221 176.600 -0.051 0.000 1.268 65 K CA 0.058 56.266 56.287 -0.132 0.000 1.228 65 K CB -0.275 32.304 32.500 0.133 0.000 1.715 65 K HN 0.358 nan 8.250 nan 0.000 0.334 66 Y N -0.224 120.085 120.300 0.015 0.000 2.165 66 Y HA -0.276 4.274 4.550 0.000 0.000 0.286 66 Y C 2.445 178.328 175.900 -0.029 0.000 1.155 66 Y CA 0.850 58.934 58.100 -0.025 0.000 1.164 66 Y CB -0.236 38.187 38.460 -0.062 0.000 0.978 66 Y HN 0.453 nan 8.280 nan 0.000 0.513 67 G N 0.114 108.984 108.800 0.116 0.000 2.469 67 G HA2 -0.266 3.694 3.960 0.000 0.000 0.219 67 G HA3 -0.266 3.694 3.960 0.000 0.000 0.219 67 G C 1.697 176.600 174.900 0.004 0.000 1.150 67 G CA 1.475 46.602 45.100 0.046 0.000 0.763 67 G HN 0.279 nan 8.290 nan 0.000 0.561 68 V N 0.535 120.437 119.914 -0.020 0.000 2.332 68 V HA -0.206 3.914 4.120 0.000 0.000 0.248 68 V C 3.036 179.106 176.094 -0.040 0.000 1.055 68 V CA 1.751 63.996 62.300 -0.093 0.000 1.038 68 V CB -0.508 31.145 31.823 -0.283 0.000 0.651 68 V HN 0.282 nan 8.190 nan 0.000 0.450 69 V N -0.493 119.438 119.914 0.027 0.000 2.323 69 V HA -0.195 3.925 4.120 0.000 0.000 0.244 69 V C 2.277 178.293 176.094 -0.131 0.000 1.041 69 V CA 1.711 63.992 62.300 -0.033 0.000 1.025 69 V CB -0.555 31.320 31.823 0.087 0.000 0.656 69 V HN 0.420 nan 8.190 nan 0.000 0.451 70 L N 0.023 121.215 121.223 -0.052 0.000 2.083 70 L HA -0.177 4.163 4.340 0.000 0.000 0.209 70 L C 2.361 179.187 176.870 -0.073 0.000 1.083 70 L CA 1.555 56.358 54.840 -0.061 0.000 0.752 70 L CB -0.681 41.362 42.059 -0.027 0.000 0.899 70 L HN 0.366 nan 8.230 nan 0.000 0.433 71 D N -0.270 120.093 120.400 -0.063 0.000 2.120 71 D HA -0.133 4.507 4.640 0.000 0.000 0.202 71 D C 2.102 178.356 176.300 -0.076 0.000 0.972 71 D CA 1.038 55.004 54.000 -0.056 0.000 0.837 71 D CB -0.064 40.713 40.800 -0.038 0.000 0.989 71 D HN 0.378 nan 8.370 nan 0.000 0.469 72 E N 0.199 120.336 120.200 -0.104 0.000 2.152 72 E HA 0.022 4.372 4.350 0.000 0.000 0.192 72 E C 0.630 177.108 176.600 -0.203 0.000 0.983 72 E CA 0.279 56.611 56.400 -0.113 0.000 0.818 72 E CB 0.418 30.104 29.700 -0.024 0.000 0.758 72 E HN 0.283 nan 8.360 nan 0.000 0.467 73 I N 3.549 123.932 120.570 -0.312 0.000 2.308 73 I HA 0.049 4.219 4.170 0.000 0.000 0.293 73 I C 0.273 176.301 176.117 -0.149 0.000 1.078 73 I CA -0.219 60.909 61.300 -0.288 0.000 1.292 73 I CB 0.346 38.133 38.000 -0.355 0.000 1.423 73 I HN -0.031 nan 8.210 nan 0.000 0.493 74 K N 7.629 127.969 120.400 -0.100 0.000 2.185 74 K HA 0.545 4.866 4.320 0.000 0.000 0.240 74 K C -2.057 174.514 176.600 -0.048 0.000 0.983 74 K CA -1.725 54.525 56.287 -0.063 0.000 0.873 74 K CB 0.977 33.450 32.500 -0.045 0.000 1.118 74 K HN 0.069 nan 8.250 nan 0.000 0.441 75 P HA -0.311 nan 4.420 nan 0.000 0.218 75 P C 1.077 178.363 177.300 -0.023 0.000 1.150 75 P CA 1.864 64.948 63.100 -0.027 0.000 0.841 75 P CB -0.024 31.663 31.700 -0.021 0.000 0.784 76 S N -2.350 113.337 115.700 -0.021 0.000 2.603 76 S HA 0.082 4.552 4.470 0.000 0.000 0.220 76 S C 1.027 175.619 174.600 -0.014 0.000 0.967 76 S CA -0.357 57.835 58.200 -0.015 0.000 0.920 76 S CB -0.739 62.455 63.200 -0.011 0.000 0.773 76 S HN 0.007 nan 8.310 nan 0.000 0.529 77 S N 2.213 117.900 115.700 -0.021 0.000 2.593 77 S HA 0.628 5.098 4.470 0.000 0.000 0.269 77 S C 0.740 175.334 174.600 -0.010 0.000 1.334 77 S CA -0.268 57.921 58.200 -0.018 0.000 1.015 77 S CB 0.682 63.857 63.200 -0.042 0.000 0.912 77 S HN 0.767 nan 8.310 nan 0.000 0.541 78 A N 3.560 126.382 122.820 0.003 0.000 2.577 78 A HA 0.147 4.467 4.320 0.000 0.000 0.233 78 A C -0.857 176.729 177.584 0.004 0.000 1.076 78 A CA -0.611 51.431 52.037 0.008 0.000 0.767 78 A CB -0.429 18.585 19.000 0.023 0.000 1.017 78 A HN 0.639 nan 8.150 nan 0.000 0.511 79 P HA -0.123 nan 4.420 nan 0.000 0.219 79 P C 0.697 178.016 177.300 0.032 0.000 1.150 79 P CA 1.345 64.443 63.100 -0.004 0.000 0.814 79 P CB 0.171 31.851 31.700 -0.033 0.000 0.787 80 E N -0.078 120.146 120.200 0.039 0.000 2.051 80 E HA -0.132 4.219 4.350 0.000 0.000 0.192 80 E C 2.050 178.678 176.600 0.047 0.000 0.991 80 E CA 0.917 57.352 56.400 0.058 0.000 0.799 80 E CB -1.066 28.663 29.700 0.050 0.000 0.748 80 E HN 0.085 nan 8.360 nan 0.000 0.449 81 L N 0.945 122.186 121.223 0.030 0.000 2.083 81 L HA -0.159 4.181 4.340 0.000 0.000 0.209 81 L C 2.100 178.964 176.870 -0.011 0.000 1.083 81 L CA 1.599 56.441 54.840 0.003 0.000 0.752 81 L CB -1.012 41.035 42.059 -0.021 0.000 0.899 81 L HN 0.176 nan 8.230 nan 0.000 0.433 82 Q N -0.709 119.095 119.800 0.006 0.000 2.096 82 Q HA -0.153 4.187 4.340 0.000 0.000 0.204 82 Q C 2.351 178.384 176.000 0.056 0.000 0.982 82 Q CA 1.692 57.503 55.803 0.014 0.000 0.850 82 Q CB -0.515 28.233 28.738 0.016 0.000 0.901 82 Q HN 0.519 nan 8.270 nan 0.000 0.422 83 A N 0.645 123.528 122.820 0.105 0.000 1.883 83 A HA -0.148 4.172 4.320 0.000 0.000 0.217 83 A C 2.497 180.121 177.584 0.066 0.000 1.186 83 A CA 1.753 53.873 52.037 0.137 0.000 0.624 83 A CB -0.849 18.265 19.000 0.191 0.000 0.822 83 A HN 0.207 nan 8.150 nan 0.000 0.444 84 V N 0.415 120.362 119.914 0.054 0.000 2.287 84 V HA -0.271 3.849 4.120 0.000 0.000 0.248 84 V C 2.744 178.885 176.094 0.079 0.000 1.053 84 V CA 2.266 64.613 62.300 0.078 0.000 1.027 84 V CB -0.850 31.006 31.823 0.056 0.000 0.646 84 V HN 0.601 nan 8.190 nan 0.000 0.447 85 R N -0.392 120.116 120.500 0.015 0.000 2.120 85 R HA -0.130 4.210 4.340 0.000 0.000 0.234 85 R C 2.231 178.539 176.300 0.014 0.000 1.123 85 R CA 1.913 58.003 56.100 -0.017 0.000 0.975 85 R CB -0.422 29.843 30.300 -0.057 0.000 0.866 85 R HN 0.563 nan 8.270 nan 0.000 0.446 86 M N -0.434 119.195 119.600 0.048 0.000 2.086 86 M HA -0.204 4.276 4.480 0.000 0.000 0.261 86 M C 1.874 178.239 176.300 0.108 0.000 1.067 86 M CA 1.678 57.013 55.300 0.059 0.000 1.116 86 M CB -0.323 32.312 32.600 0.058 0.000 1.348 86 M HN 0.083 nan 8.290 nan 0.000 0.407 87 F N 1.052 120.952 119.950 -0.082 0.000 2.134 87 F HA -0.057 4.470 4.527 0.000 0.000 0.299 87 F C 2.294 178.035 175.800 -0.099 0.000 1.097 87 F CA 1.189 59.127 58.000 -0.103 0.000 1.264 87 F CB -1.039 37.898 39.000 -0.105 0.000 1.001 87 F HN 0.204 nan 8.300 nan 0.000 0.479 88 A N -0.076 122.690 122.820 -0.090 0.000 1.883 88 A HA -0.279 4.042 4.320 0.000 0.000 0.217 88 A C 2.278 179.684 177.584 -0.297 0.000 1.186 88 A CA 1.955 53.852 52.037 -0.233 0.000 0.624 88 A CB -1.060 17.902 19.000 -0.064 0.000 0.822 88 A HN 0.546 nan 8.150 nan 0.000 0.444 89 E N -1.903 118.205 120.200 -0.153 0.000 2.106 89 E HA -0.214 4.136 4.350 0.000 0.000 0.192 89 E C 1.811 178.286 176.600 -0.208 0.000 0.984 89 E CA 1.143 57.450 56.400 -0.156 0.000 0.806 89 E CB -0.316 29.340 29.700 -0.073 0.000 0.750 89 E HN 0.722 nan 8.360 nan 0.000 0.458 90 Y N 0.360 120.505 120.300 -0.257 0.000 2.181 90 Y HA -0.214 4.336 4.550 0.000 0.000 0.288 90 Y C 1.850 177.465 175.900 -0.474 0.000 1.146 90 Y CA 1.222 59.159 58.100 -0.270 0.000 1.164 90 Y CB -0.069 38.306 38.460 -0.141 0.000 0.982 90 Y HN 0.121 nan 8.280 nan 0.000 0.515 91 L N -0.034 120.855 121.223 -0.558 0.000 2.093 91 L HA -0.075 4.265 4.340 0.000 0.000 0.208 91 L C 2.526 178.818 176.870 -0.964 0.000 1.085 91 L CA 1.823 56.123 54.840 -0.899 0.000 0.755 91 L CB -1.641 39.679 42.059 -1.231 0.000 0.904 91 L HN 0.384 nan 8.230 nan 0.000 0.435 92 A N -1.859 120.441 122.820 -0.867 0.000 1.831 92 A HA -0.051 4.269 4.320 0.000 0.000 0.213 92 A C 1.537 178.942 177.584 -0.299 0.000 1.223 92 A CA 0.981 52.703 52.037 -0.524 0.000 0.604 92 A CB -0.845 17.976 19.000 -0.299 0.000 0.878 92 A HN 0.301 nan 8.150 nan 0.000 0.450 93 S N -0.341 115.196 115.700 -0.272 0.000 2.405 93 S HA 0.168 4.638 4.470 0.000 0.000 0.291 93 S C 0.925 175.370 174.600 -0.257 0.000 1.137 93 S CA -0.466 57.624 58.200 -0.183 0.000 1.061 93 S CB -0.438 62.685 63.200 -0.128 0.000 1.001 93 S HN 0.460 nan 8.310 nan 0.000 0.507 94 H N 3.420 122.369 119.070 -0.202 0.000 2.387 94 H HA -0.075 4.481 4.556 0.000 0.000 0.299 94 H C 2.365 177.592 175.328 -0.169 0.000 1.090 94 H CA 1.999 57.920 56.048 -0.212 0.000 1.332 94 H CB -0.004 29.676 29.762 -0.137 0.000 1.386 94 H HN 0.792 nan 8.280 nan 0.000 0.516 95 S N 0.654 116.353 115.700 -0.001 0.000 2.368 95 S HA -0.068 4.402 4.470 0.000 0.000 0.224 95 S C 1.947 176.521 174.600 -0.044 0.000 1.029 95 S CA 0.405 58.596 58.200 -0.015 0.000 0.988 95 S CB -0.169 63.027 63.200 -0.007 0.000 0.838 95 S HN 0.277 nan 8.310 nan 0.000 0.462 96 R N 1.251 121.708 120.500 -0.072 0.000 2.328 96 R HA 0.147 4.487 4.340 0.000 0.000 0.207 96 R C 2.331 178.596 176.300 -0.059 0.000 1.056 96 R CA 0.306 56.370 56.100 -0.061 0.000 1.016 96 R CB -0.269 29.991 30.300 -0.067 0.000 0.872 96 R HN 0.544 nan 8.270 nan 0.000 0.471 97 R N 0.579 121.004 120.500 -0.125 0.000 2.080 97 R HA -0.134 4.206 4.340 0.000 0.000 0.236 97 R C 1.551 177.903 176.300 0.087 0.000 1.137 97 R CA 1.573 57.620 56.100 -0.088 0.000 0.943 97 R CB -0.228 29.887 30.300 -0.308 0.000 0.846 97 R HN 0.197 nan 8.270 nan 0.000 0.431 98 D N 0.423 120.857 120.400 0.057 0.000 2.178 98 D HA -0.112 4.528 4.640 0.000 0.000 0.201 98 D C 1.758 178.100 176.300 0.070 0.000 0.980 98 D CA 1.346 55.393 54.000 0.079 0.000 0.842 98 D CB -0.107 40.727 40.800 0.057 0.000 0.948 98 D HN 0.279 nan 8.370 nan 0.000 0.472 99 A N 0.592 123.441 122.820 0.048 0.000 1.969 99 A HA -0.091 4.229 4.320 0.000 0.000 0.218 99 A C 2.321 179.936 177.584 0.051 0.000 1.169 99 A CA 0.652 52.713 52.037 0.041 0.000 0.635 99 A CB -0.449 18.565 19.000 0.023 0.000 0.810 99 A HN 0.171 nan 8.150 nan 0.000 0.445 100 I N -0.744 119.868 120.570 0.069 0.000 2.277 100 I HA -0.151 4.019 4.170 0.000 0.000 0.243 100 I C 2.281 178.434 176.117 0.059 0.000 1.094 100 I CA 0.808 62.154 61.300 0.077 0.000 1.393 100 I CB -0.287 37.794 38.000 0.135 0.000 1.078 100 I HN 0.122 nan 8.210 nan 0.000 0.417 101 V N 1.284 121.250 119.914 0.087 0.000 2.343 101 V HA -0.305 3.815 4.120 0.000 0.000 0.247 101 V C 2.757 178.901 176.094 0.083 0.000 1.051 101 V CA 1.989 64.325 62.300 0.061 0.000 1.036 101 V CB -1.067 30.835 31.823 0.132 0.000 0.654 101 V HN 0.484 nan 8.190 nan 0.000 0.451 102 A N 0.107 122.977 122.820 0.082 0.000 1.883 102 A HA -0.280 4.040 4.320 0.000 0.000 0.217 102 A C 2.225 179.851 177.584 0.069 0.000 1.186 102 A CA 2.195 54.278 52.037 0.076 0.000 0.624 102 A CB -0.557 18.478 19.000 0.060 0.000 0.822 102 A HN 0.534 nan 8.150 nan 0.000 0.444 103 E N -0.065 120.169 120.200 0.057 0.000 2.150 103 E HA -0.092 4.258 4.350 0.000 0.000 0.193 103 E C 1.814 178.456 176.600 0.071 0.000 0.985 103 E CA 0.833 57.266 56.400 0.055 0.000 0.814 103 E CB -0.388 29.339 29.700 0.045 0.000 0.752 103 E HN 0.539 nan 8.360 nan 0.000 0.466 104 L N 0.322 121.578 121.223 0.055 0.000 2.056 104 L HA -0.175 4.165 4.340 0.000 0.000 0.207 104 L C 1.470 178.419 176.870 0.132 0.000 1.078 104 L CA 1.731 56.599 54.840 0.046 0.000 0.749 104 L CB -0.324 41.643 42.059 -0.153 0.000 0.901 104 L HN 0.170 nan 8.230 nan 0.000 0.433 105 D N -0.412 120.080 120.400 0.153 0.000 2.097 105 D HA -0.238 4.402 4.640 0.000 0.000 0.195 105 D C 2.146 178.526 176.300 0.133 0.000 0.989 105 D CA 1.137 55.250 54.000 0.188 0.000 0.827 105 D CB -0.094 40.797 40.800 0.152 0.000 0.966 105 D HN 0.265 nan 8.370 nan 0.000 0.456 106 R N 0.938 121.498 120.500 0.099 0.000 2.073 106 R HA -0.123 4.217 4.340 0.000 0.000 0.234 106 R C 2.033 178.378 176.300 0.075 0.000 1.134 106 R CA 1.325 57.468 56.100 0.073 0.000 0.952 106 R CB 0.026 30.358 30.300 0.054 0.000 0.850 106 R HN 0.170 nan 8.270 nan 0.000 0.433 107 E N -0.180 120.075 120.200 0.091 0.000 2.110 107 E HA -0.231 4.119 4.350 0.000 0.000 0.193 107 E C 1.891 178.559 176.600 0.114 0.000 0.988 107 E CA 1.434 57.882 56.400 0.081 0.000 0.804 107 E CB -0.062 29.706 29.700 0.114 0.000 0.745 107 E HN 0.224 nan 8.360 nan 0.000 0.458 108 M N 0.237 119.950 119.600 0.188 0.000 2.229 108 M HA -0.115 4.365 4.480 0.000 0.000 0.264 108 M C 2.130 178.509 176.300 0.131 0.000 1.063 108 M CA 1.393 56.821 55.300 0.213 0.000 1.114 108 M CB 0.119 32.879 32.600 0.267 0.000 1.387 108 M HN 0.058 nan 8.290 nan 0.000 0.420 109 S N -1.406 114.353 115.700 0.098 0.000 2.506 109 S HA 0.098 4.568 4.470 0.000 0.000 0.230 109 S C 1.555 176.182 174.600 0.045 0.000 1.066 109 S CA -0.309 57.929 58.200 0.065 0.000 0.940 109 S CB -0.385 62.848 63.200 0.056 0.000 0.818 109 S HN 0.460 nan 8.310 nan 0.000 0.518 110 R N 1.857 122.381 120.500 0.040 0.000 4.138 110 R HA 0.492 4.832 4.340 0.000 0.000 0.206 110 R C -0.484 175.822 176.300 0.009 0.000 1.667 110 R CA 0.295 56.408 56.100 0.022 0.000 1.481 110 R CB -0.620 29.692 30.300 0.020 0.000 1.388 110 R HN 0.416 nan 8.270 nan 0.000 0.776 111 S N 0.355 116.060 115.700 0.009 0.000 2.630 111 S HA 0.027 4.497 4.470 0.000 0.000 0.274 111 S C -1.148 173.455 174.600 0.005 0.000 0.915 111 S CA -0.429 57.765 58.200 -0.009 0.000 1.079 111 S CB 0.392 63.568 63.200 -0.040 0.000 1.360 111 S HN 0.066 nan 8.310 nan 0.000 0.455 112 V N 1.803 121.713 119.914 -0.006 0.000 3.503 112 V HA 0.320 4.440 4.120 0.000 0.000 0.426 112 V C -0.083 176.016 176.094 0.007 0.000 1.555 112 V CA -0.058 62.250 62.300 0.013 0.000 1.586 112 V CB 0.594 32.426 31.823 0.015 0.000 1.152 112 V HN 0.832 nan 8.190 nan 0.000 0.571 113 D N 0.642 121.029 120.400 -0.022 0.000 2.399 113 D HA 0.291 4.931 4.640 0.000 0.000 0.241 113 D C 0.521 176.839 176.300 0.030 0.000 1.133 113 D CA 0.545 54.532 54.000 -0.023 0.000 0.890 113 D CB 2.422 43.171 40.800 -0.085 0.000 1.201 113 D HN 0.108 nan 8.370 nan 0.000 0.432 114 V N 1.828 121.764 119.914 0.036 0.000 3.309 114 V HA -0.100 4.021 4.120 0.000 0.000 0.268 114 V C 2.085 178.211 176.094 0.052 0.000 1.631 114 V CA 0.620 62.956 62.300 0.061 0.000 1.018 114 V CB 0.340 32.188 31.823 0.043 0.000 0.841 114 V HN 0.751 nan 8.190 nan 0.000 0.418 115 T N -1.392 113.182 114.554 0.034 0.000 2.881 115 T HA -0.182 4.168 4.350 0.000 0.000 0.270 115 T C 0.942 175.671 174.700 0.048 0.000 1.068 115 T CA 1.513 63.632 62.100 0.032 0.000 1.131 115 T CB -0.527 68.352 68.868 0.019 0.000 0.871 115 T HN 0.493 nan 8.240 nan 0.000 0.479 116 N N 1.489 120.224 118.700 0.059 0.000 2.605 116 N HA 0.105 4.845 4.740 0.000 0.000 0.258 116 N C 0.559 176.146 175.510 0.128 0.000 1.156 116 N CA -0.226 52.876 53.050 0.086 0.000 1.008 116 N CB 0.310 38.842 38.487 0.076 0.000 1.354 116 N HN 0.145 nan 8.380 nan 0.000 0.509 117 T N 0.920 115.529 114.554 0.091 0.000 2.867 117 T HA -0.129 4.221 4.350 0.000 0.000 0.268 117 T C 1.745 176.482 174.700 0.062 0.000 1.057 117 T CA 1.276 63.422 62.100 0.076 0.000 1.136 117 T CB -0.093 68.816 68.868 0.067 0.000 0.874 117 T HN 0.473 nan 8.240 nan 0.000 0.466 118 T N 1.875 116.467 114.554 0.065 0.000 2.746 118 T HA -0.063 4.288 4.350 0.000 0.000 0.267 118 T C 1.509 176.222 174.700 0.020 0.000 1.039 118 T CA 0.980 63.092 62.100 0.020 0.000 1.142 118 T CB -0.497 68.382 68.868 0.018 0.000 0.866 118 T HN 0.388 nan 8.240 nan 0.000 0.444 119 F N 1.787 121.715 119.950 -0.036 0.000 2.134 119 F HA -0.020 4.507 4.527 0.000 0.000 0.299 119 F C 1.881 177.650 175.800 -0.053 0.000 1.097 119 F CA 1.054 59.028 58.000 -0.044 0.000 1.264 119 F CB -0.509 38.474 39.000 -0.028 0.000 1.001 119 F HN 0.061 nan 8.300 nan 0.000 0.479 120 L N -0.684 120.489 121.223 -0.084 0.000 2.017 120 L HA -0.242 4.098 4.340 0.000 0.000 0.208 120 L C 2.435 179.174 176.870 -0.218 0.000 1.073 120 L CA 0.635 55.382 54.840 -0.155 0.000 0.745 120 L CB -0.923 41.142 42.059 0.009 0.000 0.894 120 L HN 0.194 nan 8.230 nan 0.000 0.432 121 L N -0.895 120.236 121.223 -0.154 0.000 2.017 121 L HA -0.201 4.139 4.340 0.000 0.000 0.208 121 L C 2.598 179.294 176.870 -0.290 0.000 1.073 121 L CA 1.847 56.592 54.840 -0.158 0.000 0.745 121 L CB -0.932 41.078 42.059 -0.081 0.000 0.894 121 L HN 0.243 nan 8.230 nan 0.000 0.432 122 M N -1.055 118.340 119.600 -0.342 0.000 2.099 122 M HA -0.102 4.378 4.480 0.000 0.000 0.262 122 M C 2.459 178.399 176.300 -0.600 0.000 1.067 122 M CA 1.791 56.807 55.300 -0.473 0.000 1.124 122 M CB -1.620 30.802 32.600 -0.296 0.000 1.353 122 M HN 0.259 nan 8.290 nan 0.000 0.410 123 A N 0.428 122.839 122.820 -0.680 0.000 1.883 123 A HA -0.059 4.261 4.320 0.000 0.000 0.217 123 A C 2.450 179.723 177.584 -0.518 0.000 1.186 123 A CA 2.489 54.087 52.037 -0.732 0.000 0.624 123 A CB -1.100 17.344 19.000 -0.926 0.000 0.822 123 A HN 0.491 nan 8.150 nan 0.000 0.444 124 A N -0.644 121.997 122.820 -0.299 0.000 1.978 124 A HA -0.079 4.241 4.320 0.000 0.000 0.220 124 A C 2.423 179.927 177.584 -0.134 0.000 1.170 124 A CA 2.125 54.105 52.037 -0.095 0.000 0.636 124 A CB -0.805 18.136 19.000 -0.100 0.000 0.810 124 A HN 0.474 nan 8.150 nan 0.000 0.448 125 S N -0.134 115.370 115.700 -0.327 0.000 2.355 125 S HA -0.096 4.374 4.470 0.000 0.000 0.222 125 S C 1.810 176.252 174.600 -0.262 0.000 1.031 125 S CA 1.406 59.390 58.200 -0.360 0.000 0.993 125 S CB -0.469 62.129 63.200 -1.004 0.000 0.859 125 S HN 0.567 nan 8.310 nan 0.000 0.453 126 I N 0.204 120.459 120.570 -0.524 0.000 2.163 126 I HA -0.244 3.926 4.170 0.000 0.000 0.243 126 I C 2.035 177.959 176.117 -0.321 0.000 1.085 126 I CA 1.562 62.510 61.300 -0.586 0.000 1.347 126 I CB -0.499 37.060 38.000 -0.734 0.000 1.044 126 I HN 0.328 nan 8.210 nan 0.000 0.408 127 Y N -0.604 119.607 120.300 -0.148 0.000 2.224 127 Y HA -0.308 4.242 4.550 0.000 0.000 0.289 127 Y C 2.503 178.457 175.900 0.090 0.000 1.146 127 Y CA 0.883 58.962 58.100 -0.036 0.000 1.182 127 Y CB -0.272 38.163 38.460 -0.042 0.000 0.983 127 Y HN 0.089 nan 8.280 nan 0.000 0.524 128 F N -0.214 119.774 119.950 0.063 0.000 2.075 128 F HA -0.287 4.240 4.527 0.000 0.000 0.297 128 F C 1.934 177.729 175.800 -0.008 0.000 1.113 128 F CA 1.307 59.306 58.000 -0.002 0.000 1.218 128 F CB -1.213 37.751 39.000 -0.059 0.000 0.984 128 F HN 0.032 nan 8.300 nan 0.000 0.472 129 Y N -0.013 120.302 120.300 0.026 0.000 2.224 129 Y HA -0.211 4.339 4.550 0.000 0.000 0.289 129 Y C 2.120 178.069 175.900 0.081 0.000 1.146 129 Y CA 1.877 59.983 58.100 0.010 0.000 1.182 129 Y CB -0.692 37.875 38.460 0.179 0.000 0.983 129 Y HN -0.015 nan 8.280 nan 0.000 0.524 130 D N 0.193 120.738 120.400 0.242 0.000 2.358 130 D HA -0.073 4.567 4.640 0.000 0.000 0.241 130 D C 0.032 176.423 176.300 0.153 0.000 1.094 130 D CA 0.442 54.582 54.000 0.233 0.000 0.907 130 D CB -0.348 40.587 40.800 0.226 0.000 0.893 130 D HN 0.260 nan 8.370 nan 0.000 0.528 131 Q N -0.291 119.566 119.800 0.094 0.000 2.453 131 Q HA -0.278 4.062 4.340 0.000 0.000 0.294 131 Q C -0.460 175.589 176.000 0.081 0.000 1.295 131 Q CA 0.515 56.348 55.803 0.050 0.000 0.853 131 Q CB -2.227 26.525 28.738 0.024 0.000 1.193 131 Q HN 0.456 nan 8.270 nan 0.000 0.461 132 N N 0.122 118.894 118.700 0.120 0.000 2.813 132 N HA 0.167 4.907 4.740 0.000 0.000 0.282 132 N C -1.627 173.913 175.510 0.050 0.000 1.748 132 N CA -1.831 51.256 53.050 0.062 0.000 0.860 132 N CB 0.884 39.397 38.487 0.042 0.000 1.204 132 N HN -0.042 nan 8.380 nan 0.000 0.490 133 P HA -0.168 nan 4.420 nan 0.000 0.216 133 P C 0.346 177.631 177.300 -0.026 0.000 1.150 133 P CA 1.246 64.386 63.100 0.067 0.000 0.843 133 P CB 0.423 32.173 31.700 0.083 0.000 0.787 134 D N 0.220 120.587 120.400 -0.055 0.000 2.097 134 D HA -0.122 4.519 4.640 0.000 0.000 0.195 134 D C 2.218 178.422 176.300 -0.160 0.000 0.989 134 D CA 1.773 55.717 54.000 -0.093 0.000 0.827 134 D CB -0.871 39.877 40.800 -0.087 0.000 0.966 134 D HN 0.126 nan 8.370 nan 0.000 0.456 135 A N 1.063 123.716 122.820 -0.280 0.000 1.877 135 A HA -0.034 4.286 4.320 0.000 0.000 0.216 135 A C 2.326 179.686 177.584 -0.373 0.000 1.186 135 A CA 2.345 54.050 52.037 -0.553 0.000 0.620 135 A CB -0.829 17.410 19.000 -1.268 0.000 0.822 135 A HN 0.234 nan 8.150 nan 0.000 0.443 136 A N -0.656 122.070 122.820 -0.156 0.000 1.883 136 A HA -0.089 4.231 4.320 0.000 0.000 0.217 136 A C 2.089 179.655 177.584 -0.030 0.000 1.186 136 A CA 1.866 53.928 52.037 0.042 0.000 0.624 136 A CB -0.648 18.380 19.000 0.045 0.000 0.822 136 A HN 0.450 nan 8.150 nan 0.000 0.444 137 L N -0.244 120.941 121.223 -0.064 0.000 2.046 137 L HA -0.108 4.232 4.340 0.000 0.000 0.208 137 L C 2.522 179.388 176.870 -0.007 0.000 1.077 137 L CA 2.330 57.142 54.840 -0.047 0.000 0.747 137 L CB -0.884 41.141 42.059 -0.057 0.000 0.896 137 L HN 0.576 nan 8.230 nan 0.000 0.432 138 R N -1.377 119.099 120.500 -0.040 0.000 2.096 138 R HA -0.130 4.210 4.340 0.000 0.000 0.235 138 R C 1.974 178.307 176.300 0.054 0.000 1.127 138 R CA 2.071 58.161 56.100 -0.016 0.000 0.968 138 R CB -0.644 29.611 30.300 -0.076 0.000 0.861 138 R HN 0.306 nan 8.270 nan 0.000 0.440 139 T N 0.991 115.568 114.554 0.039 0.000 2.732 139 T HA -0.010 4.340 4.350 0.000 0.000 0.261 139 T C 1.714 176.451 174.700 0.062 0.000 1.040 139 T CA 1.482 63.627 62.100 0.075 0.000 1.145 139 T CB -0.199 68.730 68.868 0.101 0.000 0.866 139 T HN 0.137 nan 8.240 nan 0.000 0.427 140 L N 0.464 121.709 121.223 0.036 0.000 2.079 140 L HA -0.171 4.169 4.340 0.000 0.000 0.210 140 L C 2.543 179.437 176.870 0.041 0.000 1.081 140 L CA 1.551 56.403 54.840 0.019 0.000 0.752 140 L CB -0.647 41.407 42.059 -0.009 0.000 0.896 140 L HN 0.388 nan 8.230 nan 0.000 0.433 141 H N 0.150 119.212 119.070 -0.013 0.000 2.460 141 H HA -0.191 4.365 4.556 0.000 0.000 0.297 141 H C 2.215 177.546 175.328 0.005 0.000 1.103 141 H CA 1.629 57.673 56.048 -0.007 0.000 1.292 141 H CB 0.150 29.905 29.762 -0.011 0.000 1.376 141 H HN 0.397 nan 8.280 nan 0.000 0.531 142 Q N -0.410 119.383 119.800 -0.012 0.000 2.269 142 Q HA 0.100 4.441 4.340 0.000 0.000 0.201 142 Q C 1.306 177.280 176.000 -0.043 0.000 0.946 142 Q CA 0.371 56.151 55.803 -0.038 0.000 0.877 142 Q CB 0.423 29.191 28.738 0.050 0.000 0.963 142 Q HN 0.489 nan 8.270 nan 0.000 0.472 143 G N 0.706 109.492 108.800 -0.023 0.000 2.653 143 G HA2 0.042 4.002 3.960 0.000 0.000 0.265 143 G HA3 0.042 4.002 3.960 0.000 0.000 0.265 143 G C -0.402 174.477 174.900 -0.034 0.000 1.237 143 G CA -0.011 45.084 45.100 -0.009 0.000 0.946 143 G HN 0.163 nan 8.290 nan 0.000 0.522 144 D N -2.335 118.058 120.400 -0.012 0.000 2.640 144 D HA 0.114 4.754 4.640 0.000 0.000 0.282 144 D C 0.849 177.151 176.300 0.004 0.000 1.558 144 D CA 0.100 54.090 54.000 -0.017 0.000 0.820 144 D CB 0.119 40.908 40.800 -0.017 0.000 1.243 144 D HN 0.491 nan 8.370 nan 0.000 0.456 145 S N -0.580 115.131 115.700 0.018 0.000 2.693 145 S HA 0.230 4.700 4.470 0.000 0.000 0.276 145 S C 1.296 175.911 174.600 0.025 0.000 1.192 145 S CA -0.814 57.407 58.200 0.035 0.000 0.994 145 S CB 1.233 64.472 63.200 0.065 0.000 1.012 145 S HN 0.056 nan 8.310 nan 0.000 0.550 146 L N 0.459 121.698 121.223 0.027 0.000 2.141 146 L HA -0.029 4.311 4.340 0.000 0.000 0.209 146 L C 2.429 179.295 176.870 -0.007 0.000 1.094 146 L CA 1.990 56.830 54.840 0.000 0.000 0.763 146 L CB -1.094 40.961 42.059 -0.007 0.000 0.908 146 L HN 1.021 nan 8.230 nan 0.000 0.437 147 E N -1.023 119.196 120.200 0.031 0.000 2.107 147 E HA -0.206 4.144 4.350 0.000 0.000 0.191 147 E C 2.325 178.955 176.600 0.049 0.000 0.982 147 E CA 1.280 57.707 56.400 0.046 0.000 0.809 147 E CB 0.131 29.932 29.700 0.168 0.000 0.756 147 E HN 0.557 nan 8.360 nan 0.000 0.459 148 C N 0.446 119.770 119.300 0.039 0.000 2.413 148 C HA -0.145 4.315 4.460 0.000 0.000 0.277 148 C C 2.640 177.636 174.990 0.011 0.000 1.265 148 C CA 0.778 59.807 59.018 0.018 0.000 1.752 148 C CB -0.811 26.935 27.740 0.009 0.000 1.998 148 C HN 0.521 nan 8.230 nan 0.000 0.489 149 M N 0.742 120.348 119.600 0.010 0.000 2.132 149 M HA -0.079 4.401 4.480 0.000 0.000 0.263 149 M C 2.539 178.858 176.300 0.033 0.000 1.065 149 M CA 1.879 57.184 55.300 0.009 0.000 1.122 149 M CB -0.523 32.073 32.600 -0.006 0.000 1.365 149 M HN 0.404 nan 8.290 nan 0.000 0.411 150 A N 0.167 123.014 122.820 0.045 0.000 1.902 150 A HA -0.177 4.144 4.320 0.000 0.000 0.217 150 A C 2.190 179.903 177.584 0.214 0.000 1.181 150 A CA 1.628 53.750 52.037 0.142 0.000 0.623 150 A CB -0.651 18.413 19.000 0.106 0.000 0.818 150 A HN 0.528 nan 8.150 nan 0.000 0.443 151 M N -0.765 118.890 119.600 0.093 0.000 2.175 151 M HA -0.114 4.366 4.480 0.000 0.000 0.264 151 M C 1.994 178.248 176.300 -0.077 0.000 1.063 151 M CA 1.945 57.240 55.300 -0.008 0.000 1.119 151 M CB -0.191 32.383 32.600 -0.043 0.000 1.377 151 M HN 0.406 nan 8.290 nan 0.000 0.415 152 T N 0.044 114.580 114.554 -0.030 0.000 2.777 152 T HA -0.115 4.235 4.350 0.000 0.000 0.266 152 T C 1.712 176.403 174.700 -0.015 0.000 1.040 152 T CA 1.515 63.591 62.100 -0.041 0.000 1.141 152 T CB -0.292 68.574 68.868 -0.004 0.000 0.868 152 T HN 0.215 nan 8.240 nan 0.000 0.444 153 V N 1.363 121.309 119.914 0.053 0.000 2.295 153 V HA -0.230 3.890 4.120 0.000 0.000 0.246 153 V C 2.661 178.816 176.094 0.102 0.000 1.049 153 V CA 1.872 64.236 62.300 0.108 0.000 1.024 153 V CB -0.630 31.308 31.823 0.191 0.000 0.648 153 V HN 0.495 nan 8.190 nan 0.000 0.447 154 Q N -0.454 119.391 119.800 0.076 0.000 2.045 154 Q HA -0.243 4.097 4.340 0.000 0.000 0.206 154 Q C 2.235 178.158 176.000 -0.129 0.000 0.991 154 Q CA 2.411 58.155 55.803 -0.098 0.000 0.851 154 Q CB -0.223 28.343 28.738 -0.287 0.000 0.911 154 Q HN 0.644 nan 8.270 nan 0.000 0.418 155 I N 0.300 120.720 120.570 -0.250 0.000 2.226 155 I HA -0.290 3.880 4.170 0.000 0.000 0.245 155 I C 2.066 178.139 176.117 -0.074 0.000 1.100 155 I CA 0.531 61.664 61.300 -0.278 0.000 1.374 155 I CB -0.237 37.520 38.000 -0.405 0.000 1.057 155 I HN 0.272 nan 8.210 nan 0.000 0.413 156 L N -0.111 121.086 121.223 -0.043 0.000 2.046 156 L HA -0.216 4.125 4.340 0.000 0.000 0.208 156 L C 2.313 179.198 176.870 0.025 0.000 1.077 156 L CA 1.705 56.545 54.840 -0.000 0.000 0.747 156 L CB -0.966 41.100 42.059 0.012 0.000 0.896 156 L HN 0.168 nan 8.230 nan 0.000 0.432 157 L N -0.411 120.835 121.223 0.038 0.000 2.017 157 L HA -0.207 4.133 4.340 0.000 0.000 0.208 157 L C 2.484 179.386 176.870 0.054 0.000 1.073 157 L CA 1.636 56.510 54.840 0.056 0.000 0.745 157 L CB -0.961 41.143 42.059 0.076 0.000 0.894 157 L HN 0.296 nan 8.230 nan 0.000 0.432 158 K N -0.647 119.791 120.400 0.064 0.000 2.283 158 K HA -0.094 4.226 4.320 0.000 0.000 0.202 158 K C 1.725 178.370 176.600 0.076 0.000 1.048 158 K CA 0.808 57.149 56.287 0.091 0.000 0.948 158 K CB -0.009 32.607 32.500 0.194 0.000 0.742 158 K HN 0.282 nan 8.250 nan 0.000 0.458 159 L N 0.824 122.083 121.223 0.061 0.000 2.591 159 L HA 0.010 4.350 4.340 0.000 0.000 0.228 159 L C -0.301 176.590 176.870 0.036 0.000 1.133 159 L CA 0.066 54.933 54.840 0.045 0.000 0.880 159 L CB -0.048 42.030 42.059 0.032 0.000 1.033 159 L HN 0.253 nan 8.230 nan 0.000 0.450 160 D N 1.373 121.796 120.400 0.040 0.000 2.723 160 D HA -0.201 4.439 4.640 0.000 0.000 0.236 160 D C 0.416 176.735 176.300 0.031 0.000 1.138 160 D CA 0.865 54.887 54.000 0.037 0.000 0.676 160 D CB -0.591 40.230 40.800 0.034 0.000 1.069 160 D HN 0.398 nan 8.370 nan 0.000 0.430 161 R N 0.636 121.155 120.500 0.030 0.000 2.651 161 R HA 0.248 4.588 4.340 0.000 0.000 0.282 161 R C 1.644 177.961 176.300 0.028 0.000 1.565 161 R CA -0.467 55.648 56.100 0.024 0.000 1.661 161 R CB 0.369 30.679 30.300 0.017 0.000 1.189 161 R HN 0.147 nan 8.270 nan 0.000 0.621 162 L N 1.384 122.627 121.223 0.033 0.000 2.129 162 L HA -0.264 4.076 4.340 0.000 0.000 0.212 162 L C 1.543 178.431 176.870 0.029 0.000 1.087 162 L CA 2.018 56.880 54.840 0.037 0.000 0.757 162 L CB -0.021 42.060 42.059 0.037 0.000 0.896 162 L HN 0.547 nan 8.230 nan 0.000 0.434 163 D N -0.017 120.397 120.400 0.022 0.000 2.097 163 D HA -0.277 4.363 4.640 0.000 0.000 0.195 163 D C 2.171 178.481 176.300 0.016 0.000 0.989 163 D CA 1.523 55.533 54.000 0.017 0.000 0.827 163 D CB -0.859 39.949 40.800 0.014 0.000 0.966 163 D HN 0.389 nan 8.370 nan 0.000 0.456 164 L N 0.214 121.447 121.223 0.016 0.000 2.141 164 L HA -0.022 4.318 4.340 0.000 0.000 0.209 164 L C 2.772 179.654 176.870 0.020 0.000 1.094 164 L CA 1.018 55.867 54.840 0.015 0.000 0.763 164 L CB -0.516 41.550 42.059 0.011 0.000 0.908 164 L HN 0.095 nan 8.230 nan 0.000 0.437 165 A N 0.339 123.175 122.820 0.027 0.000 1.898 165 A HA -0.184 4.136 4.320 0.000 0.000 0.216 165 A C 2.391 179.992 177.584 0.029 0.000 1.181 165 A CA 1.273 53.333 52.037 0.038 0.000 0.620 165 A CB -0.402 18.632 19.000 0.056 0.000 0.819 165 A HN 0.295 nan 8.150 nan 0.000 0.442 166 R N -0.138 120.376 120.500 0.022 0.000 2.091 166 R HA -0.126 4.214 4.340 0.000 0.000 0.238 166 R C 2.217 178.520 176.300 0.005 0.000 1.136 166 R CA 1.722 57.829 56.100 0.011 0.000 0.959 166 R CB -0.275 30.031 30.300 0.009 0.000 0.856 166 R HN 0.511 nan 8.270 nan 0.000 0.437 167 K N 0.313 120.718 120.400 0.009 0.000 2.026 167 K HA -0.152 4.168 4.320 0.000 0.000 0.208 167 K C 2.062 178.666 176.600 0.006 0.000 1.048 167 K CA 1.085 57.376 56.287 0.007 0.000 0.929 167 K CB -0.028 32.478 32.500 0.011 0.000 0.713 167 K HN 0.098 nan 8.250 nan 0.000 0.439 168 E N 0.981 121.188 120.200 0.011 0.000 2.110 168 E HA -0.181 4.169 4.350 0.000 0.000 0.193 168 E C 2.025 178.623 176.600 -0.003 0.000 0.988 168 E CA 0.757 57.162 56.400 0.010 0.000 0.804 168 E CB -0.177 29.535 29.700 0.020 0.000 0.745 168 E HN 0.114 nan 8.360 nan 0.000 0.458 169 L N 1.767 122.986 121.223 -0.007 0.000 1.989 169 L HA -0.205 4.135 4.340 0.000 0.000 0.211 169 L C 2.001 178.849 176.870 -0.036 0.000 1.071 169 L CA 1.963 56.785 54.840 -0.030 0.000 0.749 169 L CB -0.369 41.670 42.059 -0.034 0.000 0.890 169 L HN -0.048 nan 8.230 nan 0.000 0.431 170 K N -0.651 119.734 120.400 -0.025 0.000 2.147 170 K HA -0.233 4.087 4.320 0.000 0.000 0.205 170 K C 2.198 178.785 176.600 -0.022 0.000 1.049 170 K CA 1.515 57.788 56.287 -0.024 0.000 0.936 170 K CB -0.220 32.270 32.500 -0.016 0.000 0.722 170 K HN 0.296 nan 8.250 nan 0.000 0.446 171 K N 1.322 121.713 120.400 -0.016 0.000 2.063 171 K HA -0.156 4.164 4.320 0.000 0.000 0.208 171 K C 2.219 178.807 176.600 -0.020 0.000 1.048 171 K CA 1.851 58.130 56.287 -0.013 0.000 0.928 171 K CB -0.000 32.496 32.500 -0.007 0.000 0.713 171 K HN 0.219 nan 8.250 nan 0.000 0.442 172 M N -1.441 118.142 119.600 -0.029 0.000 2.514 172 M HA 0.000 4.480 4.480 0.000 0.000 0.258 172 M C 1.661 177.934 176.300 -0.045 0.000 1.119 172 M CA 1.077 56.354 55.300 -0.038 0.000 1.111 172 M CB 0.055 32.626 32.600 -0.050 0.000 1.390 172 M HN -0.003 nan 8.290 nan 0.000 0.475 173 Q N 1.336 121.109 119.800 -0.046 0.000 2.119 173 Q HA -0.130 4.210 4.340 0.000 0.000 0.201 173 Q C 1.269 177.248 176.000 -0.035 0.000 0.972 173 Q CA 1.576 57.350 55.803 -0.048 0.000 0.847 173 Q CB 0.133 28.842 28.738 -0.048 0.000 0.903 173 Q HN 0.603 nan 8.270 nan 0.000 0.433 174 D N -0.152 120.232 120.400 -0.027 0.000 2.183 174 D HA -0.156 4.485 4.640 0.000 0.000 0.203 174 D C 1.633 177.922 176.300 -0.018 0.000 0.969 174 D CA 0.848 54.835 54.000 -0.021 0.000 0.842 174 D CB 0.008 40.798 40.800 -0.016 0.000 0.957 174 D HN 0.304 nan 8.370 nan 0.000 0.484 175 Q N -0.134 119.655 119.800 -0.019 0.000 2.137 175 Q HA -0.088 4.253 4.340 0.000 0.000 0.198 175 Q C -0.235 175.758 176.000 -0.013 0.000 0.960 175 Q CA 0.901 56.696 55.803 -0.014 0.000 0.847 175 Q CB 0.570 29.300 28.738 -0.012 0.000 0.915 175 Q HN -0.049 nan 8.270 nan 0.000 0.448 176 D N -0.148 120.240 120.400 -0.021 0.000 2.634 176 D HA 0.030 4.670 4.640 0.000 0.000 0.236 176 D C -0.220 176.060 176.300 -0.033 0.000 1.323 176 D CA -0.068 53.921 54.000 -0.018 0.000 0.884 176 D CB 0.751 41.546 40.800 -0.008 0.000 1.496 176 D HN 0.023 nan 8.370 nan 0.000 0.525 177 E N 0.469 120.649 120.200 -0.033 0.000 2.331 177 E HA -0.113 4.237 4.350 0.000 0.000 0.199 177 E C 0.204 176.775 176.600 -0.049 0.000 1.008 177 E CA 0.997 57.370 56.400 -0.045 0.000 0.843 177 E CB 0.434 30.111 29.700 -0.038 0.000 0.761 177 E HN 0.525 nan 8.360 nan 0.000 0.507 178 D N -0.956 119.426 120.400 -0.031 0.000 2.469 178 D HA 0.127 4.767 4.640 0.000 0.000 0.213 178 D C 0.148 176.445 176.300 -0.006 0.000 1.135 178 D CA -0.041 53.945 54.000 -0.024 0.000 0.834 178 D CB 0.473 41.268 40.800 -0.008 0.000 1.009 178 D HN -0.028 nan 8.370 nan 0.000 0.507 179 A N 1.463 124.275 122.820 -0.013 0.000 2.511 179 A HA 0.182 4.502 4.320 0.000 0.000 0.242 179 A C 1.787 179.333 177.584 -0.062 0.000 1.069 179 A CA 0.304 52.339 52.037 -0.004 0.000 0.763 179 A CB 0.373 19.357 19.000 -0.026 0.000 1.001 179 A HN 0.157 nan 8.150 nan 0.000 0.498 180 T N 1.087 115.609 114.554 -0.053 0.000 2.881 180 T HA -0.167 4.183 4.350 0.000 0.000 0.270 180 T C 1.505 176.104 174.700 -0.168 0.000 1.068 180 T CA 1.638 63.686 62.100 -0.086 0.000 1.131 180 T CB -0.312 68.530 68.868 -0.042 0.000 0.871 180 T HN 0.403 nan 8.240 nan 0.000 0.479 181 L N 1.348 122.446 121.223 -0.209 0.000 2.093 181 L HA 0.104 4.445 4.340 0.000 0.000 0.208 181 L C 2.750 179.427 176.870 -0.322 0.000 1.085 181 L CA 1.733 56.383 54.840 -0.316 0.000 0.755 181 L CB -1.114 40.725 42.059 -0.366 0.000 0.904 181 L HN 0.292 nan 8.230 nan 0.000 0.435 182 T N -1.364 113.045 114.554 -0.240 0.000 2.857 182 T HA -0.115 4.235 4.350 0.000 0.000 0.266 182 T C 1.809 176.329 174.700 -0.300 0.000 1.048 182 T CA 0.835 62.794 62.100 -0.235 0.000 1.139 182 T CB 0.020 68.799 68.868 -0.148 0.000 0.874 182 T HN 0.294 nan 8.240 nan 0.000 0.455 183 Q N 0.788 120.422 119.800 -0.277 0.000 2.079 183 Q HA 0.083 4.423 4.340 0.000 0.000 0.200 183 Q C 2.441 178.154 176.000 -0.478 0.000 0.974 183 Q CA 1.031 56.652 55.803 -0.304 0.000 0.840 183 Q CB -0.576 28.030 28.738 -0.219 0.000 0.898 183 Q HN 0.483 nan 8.270 nan 0.000 0.430 184 L N 0.063 120.952 121.223 -0.558 0.000 2.056 184 L HA -0.135 4.205 4.340 0.000 0.000 0.207 184 L C 2.466 178.352 176.870 -1.639 0.000 1.078 184 L CA 1.061 55.392 54.840 -0.848 0.000 0.749 184 L CB -0.646 41.095 42.059 -0.529 0.000 0.901 184 L HN 0.107 nan 8.230 nan 0.000 0.433 185 A N 0.289 122.256 122.820 -1.423 0.000 1.908 185 A HA -0.232 4.088 4.320 0.000 0.000 0.218 185 A C 2.441 179.647 177.584 -0.631 0.000 1.181 185 A CA 2.374 53.674 52.037 -1.229 0.000 0.627 185 A CB -1.053 17.609 19.000 -0.563 0.000 0.818 185 A HN 0.534 nan 8.150 nan 0.000 0.445 186 T N -1.772 112.488 114.554 -0.490 0.000 2.821 186 T HA 0.067 4.417 4.350 0.000 0.000 0.267 186 T C 1.960 176.484 174.700 -0.292 0.000 1.046 186 T CA 1.538 63.460 62.100 -0.295 0.000 1.139 186 T CB -0.593 68.130 68.868 -0.243 0.000 0.871 186 T HN 0.565 nan 8.240 nan 0.000 0.454 187 A N 1.170 123.705 122.820 -0.475 0.000 1.902 187 A HA 0.009 4.330 4.320 0.000 0.000 0.217 187 A C 2.255 179.784 177.584 -0.092 0.000 1.181 187 A CA 1.290 53.067 52.037 -0.434 0.000 0.623 187 A CB -1.133 17.310 19.000 -0.928 0.000 0.818 187 A HN 0.673 nan 8.150 nan 0.000 0.443 188 W N -0.047 121.218 121.300 -0.059 0.000 2.355 188 W HA -0.085 4.575 4.660 0.000 0.000 0.309 188 W C 2.242 178.770 176.519 0.015 0.000 1.206 188 W CA 0.894 58.259 57.345 0.032 0.000 1.284 188 W CB -1.614 27.872 29.460 0.044 0.000 1.145 188 W HN 0.170 nan 8.180 nan 0.000 0.502 189 V N 0.826 120.853 119.914 0.187 0.000 2.343 189 V HA -0.295 3.825 4.120 0.000 0.000 0.247 189 V C 2.353 178.487 176.094 0.066 0.000 1.051 189 V CA 2.323 64.686 62.300 0.104 0.000 1.036 189 V CB -1.247 30.599 31.823 0.040 0.000 0.654 189 V HN 0.086 nan 8.190 nan 0.000 0.451 190 S N 0.011 115.728 115.700 0.028 0.000 2.368 190 S HA -0.146 4.324 4.470 0.000 0.000 0.225 190 S C 1.893 176.524 174.600 0.052 0.000 1.030 190 S CA 1.180 59.391 58.200 0.018 0.000 0.999 190 S CB -0.400 62.786 63.200 -0.024 0.000 0.844 190 S HN 0.348 nan 8.310 nan 0.000 0.459 191 L N 1.697 122.977 121.223 0.095 0.000 2.083 191 L HA 0.015 4.355 4.340 0.000 0.000 0.209 191 L C 2.455 179.384 176.870 0.098 0.000 1.083 191 L CA 1.585 56.497 54.840 0.120 0.000 0.752 191 L CB -1.317 40.862 42.059 0.199 0.000 0.899 191 L HN 0.317 nan 8.230 nan 0.000 0.433 192 A N -1.401 121.481 122.820 0.103 0.000 1.970 192 A HA 0.039 4.359 4.320 0.000 0.000 0.216 192 A C 2.422 180.043 177.584 0.060 0.000 1.170 192 A CA 1.247 53.334 52.037 0.084 0.000 0.645 192 A CB -0.677 18.378 19.000 0.092 0.000 0.816 192 A HN 0.407 nan 8.150 nan 0.000 0.447 193 A N -0.970 121.881 122.820 0.052 0.000 1.930 193 A HA 0.393 4.713 4.320 0.000 0.000 0.217 193 A C 1.803 179.406 177.584 0.032 0.000 1.175 193 A CA 1.764 53.823 52.037 0.037 0.000 0.627 193 A CB -1.169 17.847 19.000 0.027 0.000 0.815 193 A HN 2.131 nan 8.150 nan 0.000 0.443 194 G N -3.051 105.769 108.800 0.034 0.000 2.725 194 G HA2 0.331 4.291 3.960 0.000 0.000 0.220 194 G HA3 0.331 4.291 3.960 0.000 0.000 0.220 194 G C 1.150 176.059 174.900 0.016 0.000 1.357 194 G CA 0.354 45.470 45.100 0.026 0.000 0.866 194 G HN 2.290 nan 8.290 nan 0.000 0.548 195 G N -0.928 107.878 108.800 0.009 0.000 2.634 195 G HA2 -0.283 3.677 3.960 0.000 0.000 0.309 195 G HA3 -0.283 3.677 3.960 0.000 0.000 0.309 195 G C 1.121 176.022 174.900 0.002 0.000 1.265 195 G CA 1.454 46.556 45.100 0.004 0.000 0.998 195 G HN 1.565 nan 8.290 nan 0.000 0.551 196 E N 0.349 120.552 120.200 0.006 0.000 2.085 196 E HA -0.159 4.191 4.350 0.000 0.000 0.194 196 E C 2.534 179.142 176.600 0.013 0.000 0.994 196 E CA 1.335 57.740 56.400 0.010 0.000 0.801 196 E CB -0.166 29.543 29.700 0.014 0.000 0.743 196 E HN 0.366 nan 8.360 nan 0.000 0.453 197 K N 0.531 120.938 120.400 0.012 0.000 2.286 197 K HA -0.161 4.159 4.320 0.000 0.000 0.203 197 K C 1.967 178.573 176.600 0.010 0.000 1.045 197 K CA 0.570 56.863 56.287 0.011 0.000 0.935 197 K CB -0.304 32.203 32.500 0.011 0.000 0.737 197 K HN 0.103 nan 8.250 nan 0.000 0.460 198 L N 1.043 122.270 121.223 0.007 0.000 2.042 198 L HA -0.184 4.156 4.340 0.000 0.000 0.210 198 L C 2.478 179.344 176.870 -0.007 0.000 1.076 198 L CA 1.653 56.496 54.840 0.004 0.000 0.749 198 L CB -0.956 41.094 42.059 -0.014 0.000 0.893 198 L HN 0.171 nan 8.230 nan 0.000 0.432 199 Q N -0.491 119.296 119.800 -0.021 0.000 2.167 199 Q HA -0.162 4.178 4.340 0.000 0.000 0.202 199 Q C 1.794 177.789 176.000 -0.009 0.000 0.970 199 Q CA 1.356 57.122 55.803 -0.062 0.000 0.855 199 Q CB -0.123 28.603 28.738 -0.020 0.000 0.911 199 Q HN 0.457 nan 8.270 nan 0.000 0.438 200 D N -0.293 120.137 120.400 0.049 0.000 2.092 200 D HA -0.169 4.472 4.640 0.000 0.000 0.193 200 D C 1.633 177.926 176.300 -0.012 0.000 0.994 200 D CA 1.619 55.659 54.000 0.066 0.000 0.828 200 D CB -0.463 40.347 40.800 0.016 0.000 0.963 200 D HN 0.368 nan 8.370 nan 0.000 0.450 201 A N 0.387 123.176 122.820 -0.052 0.000 1.883 201 A HA -0.253 4.067 4.320 0.000 0.000 0.217 201 A C 2.241 179.759 177.584 -0.110 0.000 1.186 201 A CA 1.654 53.612 52.037 -0.131 0.000 0.624 201 A CB -1.212 17.780 19.000 -0.013 0.000 0.822 201 A HN 0.354 nan 8.150 nan 0.000 0.444 202 Y N -0.827 119.395 120.300 -0.130 0.000 2.128 202 Y HA -0.312 4.239 4.550 0.000 0.000 0.284 202 Y C 2.203 178.008 175.900 -0.159 0.000 1.154 202 Y CA 2.021 60.007 58.100 -0.190 0.000 1.149 202 Y CB -0.680 37.503 38.460 -0.462 0.000 0.976 202 Y HN 0.427 nan 8.280 nan 0.000 0.505 203 Y N -0.277 119.944 120.300 -0.133 0.000 2.181 203 Y HA -0.265 4.285 4.550 0.000 0.000 0.288 203 Y C 2.472 178.234 175.900 -0.230 0.000 1.146 203 Y CA 1.188 59.183 58.100 -0.175 0.000 1.164 203 Y CB -0.437 38.011 38.460 -0.020 0.000 0.982 203 Y HN 0.362 nan 8.280 nan 0.000 0.515 204 I N -1.803 118.702 120.570 -0.108 0.000 2.315 204 I HA -0.245 3.925 4.170 0.000 0.000 0.248 204 I C 1.841 177.830 176.117 -0.214 0.000 1.117 204 I CA 1.539 62.720 61.300 -0.199 0.000 1.404 204 I CB -0.839 36.972 38.000 -0.315 0.000 1.071 204 I HN 0.047 nan 8.210 nan 0.000 0.419 205 F N 0.811 120.641 119.950 -0.202 0.000 2.134 205 F HA -0.200 4.327 4.527 0.000 0.000 0.299 205 F C 2.790 178.441 175.800 -0.248 0.000 1.097 205 F CA 1.719 59.595 58.000 -0.207 0.000 1.264 205 F CB -0.373 38.493 39.000 -0.223 0.000 1.001 205 F HN 0.252 nan 8.300 nan 0.000 0.479 206 Q N 0.674 120.346 119.800 -0.214 0.000 2.079 206 Q HA -0.238 4.102 4.340 0.000 0.000 0.200 206 Q C 2.130 178.095 176.000 -0.059 0.000 0.974 206 Q CA 1.580 57.257 55.803 -0.211 0.000 0.840 206 Q CB -0.225 28.293 28.738 -0.366 0.000 0.898 206 Q HN 0.472 nan 8.270 nan 0.000 0.430 207 E N -0.094 120.082 120.200 -0.040 0.000 2.077 207 E HA -0.226 4.125 4.350 0.000 0.000 0.193 207 E C 2.008 178.602 176.600 -0.010 0.000 0.989 207 E CA 1.284 57.675 56.400 -0.015 0.000 0.800 207 E CB -0.033 29.653 29.700 -0.022 0.000 0.746 207 E HN 0.322 nan 8.360 nan 0.000 0.452 208 M N 0.599 120.193 119.600 -0.010 0.000 2.065 208 M HA -0.176 4.305 4.480 0.000 0.000 0.259 208 M C 2.080 178.388 176.300 0.013 0.000 1.069 208 M CA 2.045 57.350 55.300 0.009 0.000 1.110 208 M CB -0.299 32.322 32.600 0.034 0.000 1.328 208 M HN 0.158 nan 8.290 nan 0.000 0.405 209 A N -0.536 122.292 122.820 0.013 0.000 1.972 209 A HA -0.179 4.141 4.320 0.000 0.000 0.219 209 A C 1.811 179.395 177.584 0.001 0.000 1.169 209 A CA 2.100 54.137 52.037 0.001 0.000 0.635 209 A CB -0.940 18.055 19.000 -0.008 0.000 0.810 209 A HN 0.573 nan 8.150 nan 0.000 0.446 210 D N -0.184 120.219 120.400 0.004 0.000 2.103 210 D HA -0.074 4.566 4.640 0.000 0.000 0.199 210 D C 1.921 178.225 176.300 0.008 0.000 0.978 210 D CA 1.029 55.034 54.000 0.009 0.000 0.829 210 D CB -0.148 40.660 40.800 0.014 0.000 0.981 210 D HN 0.241 nan 8.370 nan 0.000 0.464 211 K N 0.444 120.850 120.400 0.009 0.000 2.001 211 K HA -0.016 4.304 4.320 0.000 0.000 0.208 211 K C 2.199 178.809 176.600 0.017 0.000 1.048 211 K CA 0.564 56.859 56.287 0.014 0.000 0.932 211 K CB -0.777 31.734 32.500 0.018 0.000 0.715 211 K HN 0.241 nan 8.250 nan 0.000 0.437 212 C N 0.315 119.624 119.300 0.015 0.000 7.082 212 C HA 0.194 4.655 4.460 0.000 0.000 0.240 212 C C 1.323 176.312 174.990 -0.003 0.000 1.641 212 C CA 0.126 59.151 59.018 0.011 0.000 1.770 212 C CB -0.294 27.451 27.740 0.009 0.000 1.863 212 C HN 0.557 nan 8.230 nan 0.000 0.403 213 S N 0.355 116.047 115.700 -0.014 0.000 2.565 213 S HA 0.468 4.938 4.470 0.000 0.000 0.269 213 S C -3.270 171.310 174.600 -0.034 0.000 1.153 213 S CA -0.745 57.440 58.200 -0.025 0.000 0.835 213 S CB 1.315 64.493 63.200 -0.036 0.000 1.122 213 S HN 0.405 nan 8.310 nan 0.000 0.462 214 P HA 0.187 nan 4.420 nan 0.000 0.244 214 P C 0.431 177.686 177.300 -0.074 0.000 1.769 214 P CA 0.059 63.133 63.100 -0.044 0.000 1.102 214 P CB -0.727 30.956 31.700 -0.029 0.000 1.937 215 T N -0.521 113.977 114.554 -0.095 0.000 2.860 215 T HA 0.181 4.531 4.350 0.000 0.000 0.299 215 T C 1.673 176.278 174.700 -0.158 0.000 1.045 215 T CA -0.643 61.370 62.100 -0.145 0.000 1.071 215 T CB 0.662 69.421 68.868 -0.183 0.000 0.985 215 T HN 0.072 nan 8.240 nan 0.000 0.537 216 L N 1.143 122.234 121.223 -0.218 0.000 2.079 216 L HA -0.055 4.285 4.340 0.000 0.000 0.210 216 L C 2.650 179.420 176.870 -0.167 0.000 1.081 216 L CA 1.184 55.857 54.840 -0.279 0.000 0.752 216 L CB -0.707 40.978 42.059 -0.624 0.000 0.896 216 L HN 0.693 nan 8.230 nan 0.000 0.433 217 L N -0.328 120.817 121.223 -0.130 0.000 1.994 217 L HA -0.238 4.102 4.340 0.000 0.000 0.208 217 L C 2.478 179.270 176.870 -0.131 0.000 1.071 217 L CA 1.490 56.295 54.840 -0.058 0.000 0.745 217 L CB -0.098 41.945 42.059 -0.026 0.000 0.892 217 L HN 0.161 nan 8.230 nan 0.000 0.431 218 L N -0.871 120.280 121.223 -0.120 0.000 2.093 218 L HA -0.224 4.116 4.340 0.000 0.000 0.208 218 L C 2.490 179.226 176.870 -0.224 0.000 1.085 218 L CA 0.447 55.197 54.840 -0.150 0.000 0.755 218 L CB -0.489 41.554 42.059 -0.026 0.000 0.904 218 L HN 0.306 nan 8.230 nan 0.000 0.435 219 L N -0.067 121.067 121.223 -0.149 0.000 2.017 219 L HA -0.202 4.138 4.340 0.000 0.000 0.208 219 L C 2.300 179.090 176.870 -0.134 0.000 1.073 219 L CA 1.696 56.470 54.840 -0.110 0.000 0.745 219 L CB -1.274 40.740 42.059 -0.075 0.000 0.894 219 L HN 0.334 nan 8.230 nan 0.000 0.432 220 N N -0.524 118.089 118.700 -0.145 0.000 2.331 220 N HA -0.097 4.644 4.740 0.000 0.000 0.180 220 N C 1.754 177.108 175.510 -0.260 0.000 1.019 220 N CA 1.123 54.094 53.050 -0.131 0.000 0.881 220 N CB 0.018 38.474 38.487 -0.052 0.000 0.972 220 N HN 0.426 nan 8.380 nan 0.000 0.435 221 G N 1.096 109.566 108.800 -0.550 0.000 2.404 221 G HA2 -0.236 3.725 3.960 0.000 0.000 0.215 221 G HA3 -0.236 3.725 3.960 0.000 0.000 0.215 221 G C 1.509 176.015 174.900 -0.657 0.000 1.174 221 G CA 0.387 44.801 45.100 -1.143 0.000 0.780 221 G HN 0.318 nan 8.290 nan 0.000 0.537 222 Q N 0.169 119.714 119.800 -0.424 0.000 2.030 222 Q HA -0.070 4.270 4.340 0.000 0.000 0.204 222 Q C 3.043 179.033 176.000 -0.017 0.000 0.986 222 Q CA 1.463 57.205 55.803 -0.103 0.000 0.843 222 Q CB -0.320 28.392 28.738 -0.043 0.000 0.904 222 Q HN 0.460 nan 8.270 nan 0.000 0.420 223 A N 0.959 123.769 122.820 -0.016 0.000 1.940 223 A HA -0.191 4.129 4.320 0.000 0.000 0.219 223 A C 2.272 179.868 177.584 0.019 0.000 1.176 223 A CA 1.741 53.805 52.037 0.046 0.000 0.631 223 A CB -0.856 18.160 19.000 0.026 0.000 0.814 223 A HN 0.436 nan 8.150 nan 0.000 0.446 224 A N -1.053 121.752 122.820 -0.024 0.000 1.902 224 A HA -0.163 4.157 4.320 0.000 0.000 0.217 224 A C 2.307 179.895 177.584 0.007 0.000 1.181 224 A CA 1.689 53.727 52.037 0.001 0.000 0.623 224 A CB -1.234 17.768 19.000 0.003 0.000 0.818 224 A HN 0.616 nan 8.150 nan 0.000 0.443 225 C N -1.551 117.766 119.300 0.028 0.000 2.446 225 C HA -0.055 4.405 4.460 0.000 0.000 0.277 225 C C 2.616 177.566 174.990 -0.066 0.000 1.275 225 C CA 0.936 59.970 59.018 0.026 0.000 1.727 225 C CB -1.494 26.320 27.740 0.124 0.000 2.010 225 C HN 0.659 nan 8.230 nan 0.000 0.486 226 H N 0.497 119.514 119.070 -0.088 0.000 2.321 226 H HA -0.038 4.518 4.556 0.000 0.000 0.300 226 H C 2.300 177.390 175.328 -0.397 0.000 1.087 226 H CA 1.525 57.422 56.048 -0.252 0.000 1.319 226 H CB -0.563 29.066 29.762 -0.222 0.000 1.379 226 H HN 0.502 nan 8.280 nan 0.000 0.501 227 M N -0.313 119.132 119.600 -0.259 0.000 2.296 227 M HA -0.065 4.415 4.480 0.000 0.000 0.265 227 M C 2.638 178.580 176.300 -0.597 0.000 1.064 227 M CA 0.999 55.891 55.300 -0.679 0.000 1.109 227 M CB -0.153 32.279 32.600 -0.279 0.000 1.396 227 M HN 0.205 nan 8.290 nan 0.000 0.430 228 A N 0.439 123.104 122.820 -0.259 0.000 1.865 228 A HA -0.149 4.171 4.320 0.000 0.000 0.217 228 A C 1.329 178.792 177.584 -0.201 0.000 1.191 228 A CA 1.269 53.218 52.037 -0.148 0.000 0.623 228 A CB -0.589 18.376 19.000 -0.058 0.000 0.826 228 A HN 0.508 nan 8.150 nan 0.000 0.444 229 Q N -1.754 117.905 119.800 -0.234 0.000 2.318 229 Q HA 0.440 4.780 4.340 0.000 0.000 0.222 229 Q C 0.724 176.470 176.000 -0.423 0.000 1.003 229 Q CA -0.011 55.656 55.803 -0.225 0.000 0.936 229 Q CB 0.387 29.020 28.738 -0.175 0.000 1.204 229 Q HN 0.357 nan 8.270 nan 0.000 0.524 230 G N 0.709 109.287 108.800 -0.371 0.000 3.530 230 G HA2 0.046 4.006 3.960 0.000 0.000 0.269 230 G HA3 0.046 4.006 3.960 0.000 0.000 0.269 230 G C -0.071 174.379 174.900 -0.751 0.000 1.314 230 G CA -0.245 44.493 45.100 -0.603 0.000 1.441 230 G HN 0.337 nan 8.290 nan 0.000 0.595 231 R N 0.163 120.243 120.500 -0.700 0.000 4.390 231 R HA 0.179 4.519 4.340 0.000 0.000 0.229 231 R C 0.531 176.558 176.300 -0.456 0.000 1.674 231 R CA -0.542 55.268 56.100 -0.484 0.000 1.526 231 R CB -0.064 29.995 30.300 -0.401 0.000 1.418 231 R HN 0.592 nan 8.270 nan 0.000 0.790 232 W N 0.433 121.672 121.300 -0.102 0.000 2.338 232 W HA -0.166 4.494 4.660 0.000 0.000 0.304 232 W C 1.482 177.961 176.519 -0.066 0.000 1.212 232 W CA 0.782 58.085 57.345 -0.069 0.000 1.264 232 W CB -0.023 29.416 29.460 -0.035 0.000 1.142 232 W HN 0.367 nan 8.180 nan 0.000 0.512 233 E N 0.169 120.432 120.200 0.105 0.000 2.204 233 E HA -0.123 4.227 4.350 0.000 0.000 0.194 233 E C 2.290 178.854 176.600 -0.060 0.000 0.989 233 E CA 1.260 57.679 56.400 0.033 0.000 0.824 233 E CB -0.361 29.350 29.700 0.018 0.000 0.756 233 E HN 0.265 nan 8.360 nan 0.000 0.477 234 A N 0.700 123.403 122.820 -0.194 0.000 2.067 234 A HA 0.138 4.458 4.320 0.000 0.000 0.217 234 A C 2.210 179.653 177.584 -0.235 0.000 1.156 234 A CA 1.074 52.906 52.037 -0.343 0.000 0.683 234 A CB -0.177 18.353 19.000 -0.783 0.000 0.808 234 A HN 0.267 nan 8.150 nan 0.000 0.455 235 A N -0.566 122.188 122.820 -0.110 0.000 2.016 235 A HA -0.009 4.311 4.320 0.000 0.000 0.217 235 A C 1.840 179.459 177.584 0.058 0.000 1.162 235 A CA 1.051 53.119 52.037 0.053 0.000 0.662 235 A CB -0.316 18.736 19.000 0.086 0.000 0.812 235 A HN 0.462 nan 8.150 nan 0.000 0.450 236 E N -0.069 120.158 120.200 0.045 0.000 2.055 236 E HA -0.255 4.095 4.350 0.000 0.000 0.209 236 E C 2.173 178.795 176.600 0.036 0.000 1.036 236 E CA 1.719 58.146 56.400 0.046 0.000 0.849 236 E CB -0.649 29.076 29.700 0.041 0.000 0.767 236 E HN 0.558 nan 8.360 nan 0.000 0.461 237 G N 1.135 109.954 108.800 0.031 0.000 2.491 237 G HA2 -0.293 3.667 3.960 0.000 0.000 0.218 237 G HA3 -0.293 3.667 3.960 0.000 0.000 0.218 237 G C 1.807 176.730 174.900 0.039 0.000 1.180 237 G CA 2.312 47.433 45.100 0.034 0.000 0.774 237 G HN 0.323 nan 8.290 nan 0.000 0.562 238 V N -1.169 118.779 119.914 0.058 0.000 2.407 238 V HA -0.068 4.052 4.120 0.000 0.000 0.248 238 V C 2.661 178.768 176.094 0.021 0.000 1.055 238 V CA 1.419 63.748 62.300 0.048 0.000 1.049 238 V CB -0.693 31.175 31.823 0.076 0.000 0.662 238 V HN 0.146 nan 8.190 nan 0.000 0.455 239 L N 0.028 121.263 121.223 0.020 0.000 2.093 239 L HA -0.080 4.260 4.340 0.000 0.000 0.208 239 L C 2.757 179.625 176.870 -0.005 0.000 1.085 239 L CA 1.958 56.794 54.840 -0.006 0.000 0.755 239 L CB -1.357 40.689 42.059 -0.023 0.000 0.904 239 L HN 0.429 nan 8.230 nan 0.000 0.435 240 Q N -0.679 119.128 119.800 0.012 0.000 2.020 240 Q HA -0.266 4.074 4.340 0.000 0.000 0.202 240 Q C 2.227 178.236 176.000 0.015 0.000 0.982 240 Q CA 2.041 57.857 55.803 0.022 0.000 0.838 240 Q CB -0.069 28.686 28.738 0.029 0.000 0.899 240 Q HN 0.530 nan 8.270 nan 0.000 0.423 241 E N -0.464 119.742 120.200 0.011 0.000 2.085 241 E HA -0.251 4.100 4.350 0.000 0.000 0.194 241 E C 1.749 178.341 176.600 -0.013 0.000 0.994 241 E CA 1.155 57.556 56.400 0.002 0.000 0.801 241 E CB -0.136 29.566 29.700 0.003 0.000 0.743 241 E HN 0.404 nan 8.360 nan 0.000 0.453 242 A N 0.931 123.739 122.820 -0.019 0.000 1.873 242 A HA -0.149 4.171 4.320 0.000 0.000 0.215 242 A C 2.170 179.741 177.584 -0.021 0.000 1.186 242 A CA 1.321 53.334 52.037 -0.040 0.000 0.616 242 A CB -0.784 18.195 19.000 -0.034 0.000 0.823 242 A HN 0.394 nan 8.150 nan 0.000 0.442 243 L N 0.254 121.479 121.223 0.004 0.000 2.079 243 L HA -0.196 4.144 4.340 0.000 0.000 0.210 243 L C 1.367 178.251 176.870 0.023 0.000 1.081 243 L CA 2.447 57.303 54.840 0.026 0.000 0.752 243 L CB -0.632 41.451 42.059 0.040 0.000 0.896 243 L HN 0.342 nan 8.230 nan 0.000 0.433 244 D N -0.508 119.900 120.400 0.014 0.000 2.309 244 D HA -0.143 4.497 4.640 0.000 0.000 0.212 244 D C 1.942 178.242 176.300 -0.000 0.000 0.968 244 D CA 0.944 54.950 54.000 0.011 0.000 0.882 244 D CB 0.032 40.837 40.800 0.009 0.000 0.918 244 D HN 0.475 nan 8.370 nan 0.000 0.503 245 K N -0.466 119.926 120.400 -0.013 0.000 2.334 245 K HA 0.026 4.346 4.320 0.000 0.000 0.195 245 K C -0.039 176.549 176.600 -0.020 0.000 1.045 245 K CA 0.232 56.503 56.287 -0.026 0.000 1.004 245 K CB 0.965 33.433 32.500 -0.054 0.000 0.837 245 K HN -0.056 nan 8.250 nan 0.000 0.510 246 D N 0.880 121.277 120.400 -0.004 0.000 2.300 246 D HA 0.005 4.645 4.640 0.000 0.000 0.218 246 D C -1.039 175.297 176.300 0.061 0.000 1.326 246 D CA -0.276 53.739 54.000 0.025 0.000 0.942 246 D CB 0.836 41.646 40.800 0.016 0.000 1.495 246 D HN 0.014 nan 8.370 nan 0.000 0.545 247 S N 1.050 116.780 115.700 0.050 0.000 2.585 247 S HA 0.575 5.045 4.470 0.000 0.000 0.273 247 S C 1.480 176.117 174.600 0.062 0.000 1.339 247 S CA 0.363 58.597 58.200 0.057 0.000 1.028 247 S CB 1.538 64.761 63.200 0.039 0.000 0.906 247 S HN 1.285 nan 8.310 nan 0.000 0.528 248 G N 0.318 109.155 108.800 0.062 0.000 2.176 248 G HA2 -0.271 3.689 3.960 0.000 0.000 0.253 248 G HA3 -0.271 3.689 3.960 0.000 0.000 0.253 248 G C -0.052 174.945 174.900 0.162 0.000 0.979 248 G CA 0.437 45.569 45.100 0.052 0.000 0.641 248 G HN 1.267 nan 8.290 nan 0.000 0.530 249 H N 2.274 121.376 119.070 0.053 0.000 2.878 249 H HA 0.454 5.010 4.556 0.000 0.000 0.290 249 H C -0.562 174.744 175.328 -0.037 0.000 1.065 249 H CA -1.031 55.040 56.048 0.040 0.000 1.477 249 H CB 0.999 30.763 29.762 0.004 0.000 1.484 249 H HN 0.118 nan 8.280 nan 0.000 0.504 250 P HA -0.251 nan 4.420 nan 0.000 0.212 250 P C 1.117 178.084 177.300 -0.555 0.000 1.174 250 P CA 1.692 64.446 63.100 -0.577 0.000 0.934 250 P CB 0.397 31.627 31.700 -0.782 0.000 0.791 251 E N -1.046 118.774 120.200 -0.634 0.000 2.070 251 E HA -0.165 4.185 4.350 0.000 0.000 0.197 251 E C 2.061 178.520 176.600 -0.234 0.000 1.004 251 E CA 1.897 58.082 56.400 -0.357 0.000 0.805 251 E CB -1.605 27.962 29.700 -0.222 0.000 0.744 251 E HN 0.269 nan 8.360 nan 0.000 0.451 252 T N 1.123 115.598 114.554 -0.130 0.000 2.652 252 T HA -0.140 4.210 4.350 0.000 0.000 0.267 252 T C 1.631 176.222 174.700 -0.182 0.000 1.039 252 T CA 0.991 63.065 62.100 -0.043 0.000 1.153 252 T CB -0.248 68.684 68.868 0.106 0.000 0.863 252 T HN -0.010 nan 8.240 nan 0.000 0.428 253 L N 0.611 121.714 121.223 -0.200 0.000 2.012 253 L HA -0.009 4.331 4.340 0.000 0.000 0.210 253 L C 2.401 179.075 176.870 -0.328 0.000 1.073 253 L CA 1.439 56.132 54.840 -0.244 0.000 0.748 253 L CB -1.344 40.631 42.059 -0.139 0.000 0.891 253 L HN 0.333 nan 8.230 nan 0.000 0.431 254 I N -0.368 119.970 120.570 -0.386 0.000 2.142 254 I HA -0.353 3.817 4.170 0.000 0.000 0.240 254 I C 2.106 178.040 176.117 -0.306 0.000 1.078 254 I CA 1.541 62.541 61.300 -0.501 0.000 1.343 254 I CB -0.347 37.251 38.000 -0.670 0.000 1.046 254 I HN 0.398 nan 8.210 nan 0.000 0.405 255 N N 0.331 118.897 118.700 -0.224 0.000 2.223 255 N HA -0.177 4.563 4.740 0.000 0.000 0.185 255 N C 1.714 177.139 175.510 -0.143 0.000 1.016 255 N CA 0.661 53.642 53.050 -0.115 0.000 0.863 255 N CB 0.037 38.481 38.487 -0.071 0.000 0.983 255 N HN 0.149 nan 8.380 nan 0.000 0.429 256 L N 0.727 121.767 121.223 -0.304 0.000 2.093 256 L HA -0.072 4.269 4.340 0.000 0.000 0.208 256 L C 2.147 178.794 176.870 -0.371 0.000 1.085 256 L CA 1.104 55.643 54.840 -0.503 0.000 0.755 256 L CB -0.956 40.399 42.059 -1.173 0.000 0.904 256 L HN 0.041 nan 8.230 nan 0.000 0.435 257 V N -0.960 118.797 119.914 -0.261 0.000 2.255 257 V HA -0.286 3.834 4.120 0.000 0.000 0.247 257 V C 2.565 178.643 176.094 -0.027 0.000 1.051 257 V CA 1.559 63.831 62.300 -0.048 0.000 1.018 257 V CB -0.320 31.483 31.823 -0.034 0.000 0.641 257 V HN 0.213 nan 8.190 nan 0.000 0.445 258 V N -0.395 119.504 119.914 -0.025 0.000 2.295 258 V HA -0.253 3.867 4.120 0.000 0.000 0.246 258 V C 2.368 178.477 176.094 0.025 0.000 1.049 258 V CA 2.148 64.465 62.300 0.028 0.000 1.024 258 V CB -0.686 31.216 31.823 0.132 0.000 0.648 258 V HN 0.518 nan 8.190 nan 0.000 0.447 259 L N 0.198 121.463 121.223 0.070 0.000 2.083 259 L HA -0.129 4.211 4.340 0.000 0.000 0.209 259 L C 2.506 179.390 176.870 0.025 0.000 1.083 259 L CA 2.092 57.000 54.840 0.113 0.000 0.752 259 L CB -0.705 41.428 42.059 0.124 0.000 0.899 259 L HN 0.282 nan 8.230 nan 0.000 0.433 260 S N -0.666 115.040 115.700 0.010 0.000 2.370 260 S HA -0.240 4.230 4.470 0.000 0.000 0.226 260 S C 1.829 176.399 174.600 -0.050 0.000 1.033 260 S CA 1.588 59.809 58.200 0.036 0.000 1.011 260 S CB -0.321 62.960 63.200 0.136 0.000 0.852 260 S HN 0.602 nan 8.310 nan 0.000 0.457 261 Q N -0.139 119.581 119.800 -0.134 0.000 2.167 261 Q HA -0.100 4.240 4.340 0.000 0.000 0.202 261 Q C 1.844 177.619 176.000 -0.376 0.000 0.970 261 Q CA 1.011 56.667 55.803 -0.245 0.000 0.855 261 Q CB -0.214 28.340 28.738 -0.306 0.000 0.911 261 Q HN 0.630 nan 8.270 nan 0.000 0.438 262 H N 0.060 118.898 119.070 -0.387 0.000 2.462 262 H HA 0.037 4.593 4.556 0.000 0.000 0.292 262 H C 1.759 176.883 175.328 -0.341 0.000 1.049 262 H CA 0.809 56.488 56.048 -0.615 0.000 1.334 262 H CB 0.297 29.158 29.762 -1.501 0.000 1.404 262 H HN 0.204 nan 8.280 nan 0.000 0.544 263 L N -0.488 120.691 121.223 -0.074 0.000 2.591 263 L HA 0.118 4.458 4.340 0.000 0.000 0.228 263 L C 1.428 178.288 176.870 -0.017 0.000 1.133 263 L CA 0.520 55.360 54.840 0.000 0.000 0.880 263 L CB 0.176 42.263 42.059 0.046 0.000 1.033 263 L HN 0.333 nan 8.230 nan 0.000 0.450 264 G N -0.091 108.675 108.800 -0.056 0.000 2.148 264 G HA2 -0.241 3.719 3.960 0.000 0.000 0.254 264 G HA3 -0.241 3.719 3.960 0.000 0.000 0.254 264 G C 0.341 175.223 174.900 -0.030 0.000 0.981 264 G CA -0.152 44.920 45.100 -0.047 0.000 0.670 264 G HN 0.179 nan 8.290 nan 0.000 0.528 265 K N 0.433 120.822 120.400 -0.019 0.000 2.455 265 K HA 0.218 4.538 4.320 0.000 0.000 0.269 265 K C -2.121 174.468 176.600 -0.018 0.000 0.972 265 K CA -1.195 55.090 56.287 -0.004 0.000 0.938 265 K CB -0.239 32.275 32.500 0.024 0.000 0.931 265 K HN 0.148 nan 8.250 nan 0.000 0.507 266 P HA 0.031 nan 4.420 nan 0.000 0.267 266 P C -1.717 175.564 177.300 -0.030 0.000 1.205 266 P CA -1.004 62.080 63.100 -0.026 0.000 0.765 266 P CB 0.246 31.929 31.700 -0.029 0.000 0.828 267 P HA -0.240 nan 4.420 nan 0.000 0.218 267 P C 0.717 177.996 177.300 -0.034 0.000 1.147 267 P CA 1.614 64.696 63.100 -0.030 0.000 0.827 267 P CB 0.195 31.877 31.700 -0.029 0.000 0.778 268 E N -0.297 119.877 120.200 -0.044 0.000 2.150 268 E HA -0.084 4.266 4.350 0.000 0.000 0.193 268 E C 2.172 178.715 176.600 -0.094 0.000 0.985 268 E CA 0.588 56.951 56.400 -0.060 0.000 0.814 268 E CB -1.149 28.515 29.700 -0.061 0.000 0.752 268 E HN 0.097 nan 8.360 nan 0.000 0.466 269 V N 0.942 120.800 119.914 -0.094 0.000 2.255 269 V HA -0.309 3.811 4.120 0.000 0.000 0.247 269 V C 2.138 178.159 176.094 -0.123 0.000 1.051 269 V CA 2.330 64.536 62.300 -0.156 0.000 1.018 269 V CB -0.924 30.863 31.823 -0.061 0.000 0.641 269 V HN 0.356 nan 8.190 nan 0.000 0.445 270 T N -0.316 114.247 114.554 0.015 0.000 2.699 270 T HA -0.280 4.070 4.350 0.000 0.000 0.268 270 T C 1.788 176.513 174.700 0.042 0.000 1.036 270 T CA 2.106 64.262 62.100 0.095 0.000 1.147 270 T CB -0.589 68.305 68.868 0.043 0.000 0.862 270 T HN 0.594 nan 8.240 nan 0.000 0.446 271 N N 0.205 118.891 118.700 -0.023 0.000 2.166 271 N HA -0.100 4.640 4.740 0.000 0.000 0.186 271 N C 2.219 177.684 175.510 -0.075 0.000 1.019 271 N CA 0.581 53.605 53.050 -0.043 0.000 0.856 271 N CB 0.017 38.479 38.487 -0.042 0.000 0.993 271 N HN 0.262 nan 8.380 nan 0.000 0.426 272 R N -0.297 120.115 120.500 -0.147 0.000 2.081 272 R HA -0.157 4.183 4.340 0.000 0.000 0.235 272 R C 1.699 177.896 176.300 -0.171 0.000 1.131 272 R CA 1.472 57.449 56.100 -0.205 0.000 0.960 272 R CB -0.270 29.830 30.300 -0.333 0.000 0.856 272 R HN 0.412 nan 8.270 nan 0.000 0.436 273 Y N -0.134 120.135 120.300 -0.053 0.000 2.224 273 Y HA -0.241 4.309 4.550 0.000 0.000 0.289 273 Y C 2.166 178.017 175.900 -0.082 0.000 1.146 273 Y CA 0.432 58.494 58.100 -0.064 0.000 1.182 273 Y CB -0.031 38.389 38.460 -0.066 0.000 0.983 273 Y HN 0.133 nan 8.280 nan 0.000 0.524 274 L N -0.501 120.759 121.223 0.062 0.000 1.994 274 L HA -0.223 4.117 4.340 0.000 0.000 0.208 274 L C 2.408 179.253 176.870 -0.042 0.000 1.071 274 L CA 1.732 56.553 54.840 -0.031 0.000 0.745 274 L CB -1.052 40.934 42.059 -0.121 0.000 0.892 274 L HN 0.013 nan 8.230 nan 0.000 0.431 275 S N -1.119 114.553 115.700 -0.046 0.000 2.383 275 S HA -0.267 4.203 4.470 0.000 0.000 0.229 275 S C 1.883 176.470 174.600 -0.023 0.000 1.030 275 S CA 1.323 59.499 58.200 -0.039 0.000 1.002 275 S CB -0.269 62.904 63.200 -0.045 0.000 0.829 275 S HN 0.512 nan 8.310 nan 0.000 0.467 276 Q N 0.078 119.871 119.800 -0.012 0.000 2.170 276 Q HA -0.128 4.212 4.340 0.000 0.000 0.203 276 Q C 2.125 178.125 176.000 -0.000 0.000 0.976 276 Q CA 1.010 56.814 55.803 0.001 0.000 0.858 276 Q CB -0.158 28.605 28.738 0.040 0.000 0.907 276 Q HN 0.392 nan 8.270 nan 0.000 0.433 277 L N 0.983 122.209 121.223 0.004 0.000 2.027 277 L HA -0.170 4.170 4.340 0.000 0.000 0.206 277 L C 1.779 178.664 176.870 0.024 0.000 1.074 277 L CA 1.890 56.730 54.840 0.001 0.000 0.745 277 L CB -0.311 41.736 42.059 -0.020 0.000 0.898 277 L HN 0.034 nan 8.230 nan 0.000 0.433 278 K N -0.576 119.836 120.400 0.021 0.000 2.103 278 K HA -0.176 4.144 4.320 0.000 0.000 0.207 278 K C 1.821 178.425 176.600 0.006 0.000 1.048 278 K CA 1.457 57.763 56.287 0.031 0.000 0.930 278 K CB -0.318 32.192 32.500 0.015 0.000 0.716 278 K HN 0.393 nan 8.250 nan 0.000 0.444 279 D N 0.737 121.126 120.400 -0.020 0.000 2.084 279 D HA -0.119 4.521 4.640 0.000 0.000 0.194 279 D C 1.939 178.182 176.300 -0.095 0.000 0.990 279 D CA 1.512 55.487 54.000 -0.043 0.000 0.826 279 D CB -0.129 40.646 40.800 -0.041 0.000 0.971 279 D HN 0.200 nan 8.370 nan 0.000 0.453 280 A N 0.049 122.781 122.820 -0.148 0.000 1.969 280 A HA -0.111 4.209 4.320 0.000 0.000 0.218 280 A C 0.581 177.728 177.584 -0.729 0.000 1.169 280 A CA 1.171 52.979 52.037 -0.382 0.000 0.635 280 A CB -0.096 18.704 19.000 -0.333 0.000 0.810 280 A HN 0.301 nan 8.150 nan 0.000 0.445 281 H N -1.548 117.541 119.070 0.033 0.000 2.596 281 H HA 0.223 4.779 4.556 0.000 0.000 0.240 281 H C 0.404 175.789 175.328 0.095 0.000 1.406 281 H CA -0.604 55.489 56.048 0.074 0.000 1.504 281 H CB 0.327 30.147 29.762 0.097 0.000 1.688 281 H HN 0.229 nan 8.280 nan 0.000 0.546 282 R N 1.155 121.729 120.500 0.123 0.000 2.198 282 R HA -0.132 4.208 4.340 0.000 0.000 0.258 282 R C 1.063 177.435 176.300 0.120 0.000 1.173 282 R CA 1.887 58.045 56.100 0.096 0.000 0.991 282 R CB -0.046 30.288 30.300 0.057 0.000 0.879 282 R HN 0.463 nan 8.270 nan 0.000 0.460 283 S N -1.367 114.424 115.700 0.152 0.000 2.651 283 S HA 0.065 4.535 4.470 0.000 0.000 0.246 283 S C 0.019 174.716 174.600 0.162 0.000 1.039 283 S CA -0.712 57.564 58.200 0.127 0.000 1.013 283 S CB -0.062 63.180 63.200 0.071 0.000 0.861 283 S HN 0.304 nan 8.310 nan 0.000 0.485 284 H N 3.803 122.955 119.070 0.137 0.000 2.948 284 H HA 0.186 4.742 4.556 0.000 0.000 0.351 284 H C -1.222 174.182 175.328 0.126 0.000 1.079 284 H CA -0.479 55.644 56.048 0.125 0.000 1.407 284 H CB 0.844 30.685 29.762 0.132 0.000 1.373 284 H HN 0.027 nan 8.280 nan 0.000 0.605 285 P HA -0.233 nan 4.420 nan 0.000 0.217 285 P C 1.397 178.722 177.300 0.042 0.000 1.148 285 P CA 1.359 64.364 63.100 -0.160 0.000 0.828 285 P CB -0.071 31.474 31.700 -0.258 0.000 0.783 286 F N 0.510 120.526 119.950 0.110 0.000 2.234 286 F HA -0.110 4.417 4.527 0.000 0.000 0.299 286 F C 2.127 178.037 175.800 0.182 0.000 1.087 286 F CA 1.013 59.133 58.000 0.201 0.000 1.340 286 F CB -0.296 38.881 39.000 0.295 0.000 1.031 286 F HN -0.285 nan 8.300 nan 0.000 0.500 287 I N 0.310 121.088 120.570 0.347 0.000 2.333 287 I HA -0.202 3.968 4.170 0.000 0.000 0.246 287 I C 2.151 178.348 176.117 0.134 0.000 1.106 287 I CA 1.224 62.661 61.300 0.229 0.000 1.411 287 I CB -1.205 36.929 38.000 0.225 0.000 1.082 287 I HN 0.143 nan 8.210 nan 0.000 0.420 288 K N 0.786 121.241 120.400 0.093 0.000 2.057 288 K HA -0.180 4.140 4.320 0.000 0.000 0.207 288 K C 1.980 178.585 176.600 0.007 0.000 1.049 288 K CA 1.328 57.642 56.287 0.045 0.000 0.931 288 K CB -0.078 32.436 32.500 0.024 0.000 0.714 288 K HN 0.364 nan 8.250 nan 0.000 0.440 289 E N -0.184 119.993 120.200 -0.039 0.000 2.077 289 E HA -0.223 4.127 4.350 0.000 0.000 0.193 289 E C 1.897 178.428 176.600 -0.115 0.000 0.989 289 E CA 1.146 57.486 56.400 -0.100 0.000 0.800 289 E CB -0.164 29.430 29.700 -0.178 0.000 0.746 289 E HN 0.313 nan 8.360 nan 0.000 0.452 290 Y N 1.767 121.915 120.300 -0.253 0.000 2.128 290 Y HA -0.244 4.306 4.550 0.000 0.000 0.284 290 Y C 2.314 178.154 175.900 -0.100 0.000 1.154 290 Y CA 1.784 59.759 58.100 -0.209 0.000 1.149 290 Y CB 0.009 38.363 38.460 -0.177 0.000 0.976 290 Y HN -0.139 nan 8.280 nan 0.000 0.505 291 R N -0.270 120.280 120.500 0.085 0.000 2.091 291 R HA -0.184 4.156 4.340 0.000 0.000 0.238 291 R C 2.523 178.801 176.300 -0.037 0.000 1.136 291 R CA 1.275 57.398 56.100 0.038 0.000 0.959 291 R CB -0.705 29.635 30.300 0.067 0.000 0.856 291 R HN 0.437 nan 8.270 nan 0.000 0.437 292 A N 1.367 124.161 122.820 -0.043 0.000 1.933 292 A HA -0.171 4.149 4.320 0.000 0.000 0.218 292 A C 1.813 179.356 177.584 -0.067 0.000 1.175 292 A CA 1.336 53.346 52.037 -0.044 0.000 0.628 292 A CB -0.200 18.776 19.000 -0.040 0.000 0.814 292 A HN 0.058 nan 8.150 nan 0.000 0.444 293 K N 0.044 120.365 120.400 -0.133 0.000 2.097 293 K HA -0.105 4.215 4.320 0.000 0.000 0.205 293 K C 1.764 178.287 176.600 -0.128 0.000 1.050 293 K CA 1.460 57.657 56.287 -0.149 0.000 0.938 293 K CB -0.394 31.950 32.500 -0.259 0.000 0.718 293 K HN 0.709 nan 8.250 nan 0.000 0.442 294 E N 0.680 120.764 120.200 -0.193 0.000 2.110 294 E HA -0.133 4.217 4.350 0.000 0.000 0.193 294 E C 1.766 178.381 176.600 0.024 0.000 0.988 294 E CA 0.750 57.081 56.400 -0.115 0.000 0.804 294 E CB 0.001 29.630 29.700 -0.118 0.000 0.745 294 E HN 0.262 nan 8.360 nan 0.000 0.458 295 N N 1.620 120.323 118.700 0.004 0.000 2.039 295 N HA -0.159 4.581 4.740 0.000 0.000 0.193 295 N C 1.437 176.971 175.510 0.040 0.000 1.044 295 N CA 1.741 54.805 53.050 0.024 0.000 0.847 295 N CB -0.488 38.004 38.487 0.007 0.000 1.030 295 N HN 0.295 nan 8.380 nan 0.000 0.422 296 D N -0.399 120.022 120.400 0.035 0.000 2.350 296 D HA -0.114 4.526 4.640 0.000 0.000 0.216 296 D C 1.632 177.966 176.300 0.057 0.000 0.968 296 D CA 0.230 54.250 54.000 0.033 0.000 0.894 296 D CB -0.660 40.154 40.800 0.022 0.000 0.909 296 D HN 0.268 nan 8.370 nan 0.000 0.520 297 F N 1.540 121.463 119.950 -0.045 0.000 2.149 297 F HA -0.049 4.478 4.527 0.000 0.000 0.294 297 F C 1.553 177.342 175.800 -0.019 0.000 1.095 297 F CA 1.134 59.111 58.000 -0.039 0.000 1.276 297 F CB 0.014 38.972 39.000 -0.070 0.000 1.023 297 F HN -0.237 nan 8.300 nan 0.000 0.480 298 D N 0.166 120.628 120.400 0.103 0.000 2.144 298 D HA -0.200 4.441 4.640 0.000 0.000 0.199 298 D C 2.328 178.597 176.300 -0.053 0.000 0.984 298 D CA 1.066 55.080 54.000 0.024 0.000 0.834 298 D CB -0.503 40.336 40.800 0.066 0.000 0.955 298 D HN 0.303 nan 8.370 nan 0.000 0.465 299 R N 0.560 121.040 120.500 -0.033 0.000 2.096 299 R HA -0.055 4.285 4.340 0.000 0.000 0.235 299 R C 2.294 178.558 176.300 -0.060 0.000 1.127 299 R CA 0.721 56.799 56.100 -0.036 0.000 0.968 299 R CB -0.248 30.042 30.300 -0.017 0.000 0.861 299 R HN 0.195 nan 8.270 nan 0.000 0.440 300 L N 0.250 121.415 121.223 -0.098 0.000 2.240 300 L HA -0.071 4.270 4.340 0.000 0.000 0.211 300 L C 2.361 179.177 176.870 -0.089 0.000 1.106 300 L CA 0.288 55.085 54.840 -0.071 0.000 0.793 300 L CB -0.060 41.949 42.059 -0.084 0.000 0.927 300 L HN 0.034 nan 8.230 nan 0.000 0.446 301 V N -0.172 119.586 119.914 -0.259 0.000 2.261 301 V HA -0.295 3.825 4.120 0.000 0.000 0.246 301 V C 2.404 178.460 176.094 -0.063 0.000 1.047 301 V CA 1.420 63.587 62.300 -0.221 0.000 1.015 301 V CB -0.375 31.300 31.823 -0.247 0.000 0.642 301 V HN 0.258 nan 8.190 nan 0.000 0.446 302 L N -0.133 121.054 121.223 -0.060 0.000 2.127 302 L HA -0.227 4.113 4.340 0.000 0.000 0.211 302 L C 2.483 179.331 176.870 -0.035 0.000 1.089 302 L CA 1.907 56.726 54.840 -0.035 0.000 0.757 302 L CB -1.131 40.907 42.059 -0.035 0.000 0.899 302 L HN 0.472 nan 8.230 nan 0.000 0.434 303 Q N -1.918 117.857 119.800 -0.041 0.000 2.119 303 Q HA -0.209 4.131 4.340 0.000 0.000 0.201 303 Q C 1.919 177.816 176.000 -0.173 0.000 0.972 303 Q CA 1.605 57.342 55.803 -0.109 0.000 0.847 303 Q CB -0.018 28.636 28.738 -0.140 0.000 0.903 303 Q HN 0.523 nan 8.270 nan 0.000 0.433 304 Y N -0.347 119.902 120.300 -0.085 0.000 2.503 304 Y HA 0.334 4.885 4.550 0.000 0.000 0.277 304 Y C 0.929 176.793 175.900 -0.060 0.000 1.102 304 Y CA 0.037 58.094 58.100 -0.071 0.000 1.261 304 Y CB 0.130 38.540 38.460 -0.083 0.000 1.096 304 Y HN 0.085 nan 8.280 nan 0.000 0.546 305 A N 1.742 124.611 122.820 0.082 0.000 2.561 305 A HA 0.183 4.503 4.320 0.000 0.000 0.234 305 A C -2.120 175.473 177.584 0.016 0.000 1.055 305 A CA -0.917 51.140 52.037 0.034 0.000 0.756 305 A CB -0.647 18.357 19.000 0.007 0.000 0.986 305 A HN 0.099 nan 8.150 nan 0.000 0.505 306 P HA 0.244 nan 4.420 nan 0.000 0.271 306 P C 0.072 177.371 177.300 -0.002 0.000 1.218 306 P CA -0.175 62.928 63.100 0.005 0.000 0.780 306 P CB 0.828 32.533 31.700 0.007 0.000 0.901 307 S N 0.000 115.696 115.700 -0.006 0.000 2.498 307 S HA 0.000 4.470 4.470 0.000 0.000 0.327 307 S CA 0.000 58.195 58.200 -0.009 0.000 1.107 307 S CB 0.000 63.193 63.200 -0.012 0.000 0.593 307 S HN 0.000 nan 8.310 nan 0.000 0.517