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 1o1t_1_B DATA FIRST_RESID 23 DATA SEQUENCE LYSLRPEHAR ERLQDDSVET VTSIEQAKVE EKIQEVFSSY KFNHLVPRLV DATA SEQUENCE LQREKHFHYL KRGLRQLTDA YECLDASRPW LCYWILHSLE LLDEPIPQIV DATA SEQUENCE ATDVCQFLEL CQSPDGGFGG GPGQYPHLAP TYAAVNALCI IGTEEAYNVI DATA SEQUENCE NREKLLQYLY SLKQPDGSFL MHVGGEVDVR SAYCAASVAS LTNIITPDLF DATA SEQUENCE EGTAEWIARC QNWEGGIGGV PGMEAHGGYT FCGLAALVIL KKERSLNLKS DATA SEQUENCE LLQWVTSRQM RFEGGFQGRC NKLVDGCYSF WQAGLLPLLH RALHAQGDPA DATA SEQUENCE LSMSHWMFHQ QALQEYILMC CQCPAGGLLD KPGKSRDFYH TCYCLSGLSI DATA SEQUENCE AQHFGSGAML HDVVMGVPEN VLQPTHPVYN IGPDKVIQAT THFLQKPVPG DATA SEQUENCE F 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 23 L HA 0.000 nan 4.340 nan 0.000 0.249 23 L C 0.000 176.751 176.870 -0.199 0.000 1.165 23 L CA 0.000 54.736 54.840 -0.174 0.000 0.813 23 L CB 0.000 41.901 42.059 -0.264 0.000 0.961 24 Y N 2.533 122.669 120.300 -0.273 0.000 2.139 24 Y HA -0.311 4.239 4.550 0.000 0.000 0.282 24 Y C 2.140 177.697 175.900 -0.573 0.000 1.179 24 Y CA 2.578 60.494 58.100 -0.306 0.000 1.161 24 Y CB 0.259 38.564 38.460 -0.259 0.000 0.970 24 Y HN 0.650 nan 8.280 nan 0.000 0.511 25 S N -0.125 115.097 115.700 -0.795 0.000 2.402 25 S HA -0.120 4.350 4.470 0.000 0.000 0.229 25 S C 1.517 175.348 174.600 -1.281 0.000 1.021 25 S CA 1.323 58.585 58.200 -1.565 0.000 0.974 25 S CB -0.314 61.821 63.200 -1.774 0.000 0.800 25 S HN 0.303 nan 8.310 nan 0.000 0.484 26 L N 1.050 121.830 121.223 -0.739 0.000 2.591 26 L HA 0.224 4.564 4.340 0.000 0.000 0.228 26 L C 0.942 177.650 176.870 -0.269 0.000 1.133 26 L CA 0.527 55.117 54.840 -0.416 0.000 0.880 26 L CB -0.581 41.293 42.059 -0.307 0.000 1.033 26 L HN 0.050 nan 8.230 nan 0.000 0.450 27 R N 0.394 120.710 120.500 -0.306 0.000 2.643 27 R HA 0.031 4.371 4.340 0.000 0.000 0.270 27 R C -1.236 175.012 176.300 -0.086 0.000 1.061 27 R CA -1.141 54.852 56.100 -0.179 0.000 1.107 27 R CB -0.003 30.178 30.300 -0.199 0.000 0.999 27 R HN -0.093 nan 8.270 nan 0.000 0.460 28 P HA -0.210 nan 4.420 nan 0.000 0.216 28 P C 0.690 177.995 177.300 0.009 0.000 1.153 28 P CA 1.165 64.262 63.100 -0.006 0.000 0.848 28 P CB 0.165 31.860 31.700 -0.009 0.000 0.787 29 E N -0.946 119.247 120.200 -0.012 0.000 2.409 29 E HA -0.236 4.114 4.350 0.000 0.000 0.198 29 E C 1.745 178.337 176.600 -0.014 0.000 1.024 29 E CA 0.980 57.373 56.400 -0.012 0.000 0.861 29 E CB -1.420 28.268 29.700 -0.020 0.000 0.788 29 E HN 0.484 nan 8.360 nan 0.000 0.521 30 H N 1.044 120.034 119.070 -0.133 0.000 2.457 30 H HA 0.131 4.687 4.556 0.000 0.000 0.294 30 H C 1.704 177.073 175.328 0.069 0.000 1.064 30 H CA 1.207 57.161 56.048 -0.158 0.000 1.330 30 H CB 0.277 29.835 29.762 -0.341 0.000 1.395 30 H HN 0.269 nan 8.280 nan 0.000 0.541 31 A N 0.947 123.824 122.820 0.095 0.000 2.125 31 A HA -0.131 4.189 4.320 0.000 0.000 0.219 31 A C 2.393 179.993 177.584 0.027 0.000 1.156 31 A CA 0.892 53.008 52.037 0.132 0.000 0.671 31 A CB -0.387 18.679 19.000 0.110 0.000 0.794 31 A HN 0.345 nan 8.150 nan 0.000 0.459 32 R N -0.034 120.461 120.500 -0.009 0.000 2.280 32 R HA 0.014 4.354 4.340 0.000 0.000 0.207 32 R C 1.001 177.278 176.300 -0.038 0.000 1.043 32 R CA 0.780 56.865 56.100 -0.025 0.000 1.006 32 R CB 0.054 30.344 30.300 -0.017 0.000 0.885 32 R HN 0.415 nan 8.270 nan 0.000 0.467 33 E N 0.550 120.720 120.200 -0.050 0.000 2.502 33 E HA 0.007 4.357 4.350 0.000 0.000 0.194 33 E C 0.021 176.621 176.600 -0.000 0.000 1.062 33 E CA 0.200 56.588 56.400 -0.021 0.000 0.867 33 E CB 0.163 29.804 29.700 -0.098 0.000 0.888 33 E HN 0.100 nan 8.360 nan 0.000 0.510 34 R N 1.057 121.481 120.500 -0.127 0.000 2.643 34 R HA 0.062 4.402 4.340 0.000 0.000 0.270 34 R C 0.564 176.752 176.300 -0.187 0.000 1.061 34 R CA -0.575 55.320 56.100 -0.342 0.000 1.107 34 R CB 0.119 30.191 30.300 -0.380 0.000 0.999 34 R HN 0.069 nan 8.270 nan 0.000 0.460 35 L N 2.228 123.335 121.223 -0.194 0.000 2.593 35 L HA -0.124 4.216 4.340 0.000 0.000 0.287 35 L C -0.138 176.682 176.870 -0.084 0.000 1.243 35 L CA 1.264 56.038 54.840 -0.109 0.000 0.890 35 L CB 0.224 42.223 42.059 -0.101 0.000 1.134 35 L HN 0.458 nan 8.230 nan 0.000 0.502 36 Q N 3.338 123.105 119.800 -0.054 0.000 2.456 36 Q HA 0.157 4.497 4.340 0.000 0.000 0.252 36 Q C -0.129 175.852 176.000 -0.030 0.000 1.042 36 Q CA -0.314 55.465 55.803 -0.041 0.000 0.766 36 Q CB 0.856 29.576 28.738 -0.030 0.000 1.196 36 Q HN 0.766 nan 8.270 nan 0.000 0.504 37 D N 1.721 122.102 120.400 -0.032 0.000 2.352 37 D HA -0.130 4.510 4.640 0.000 0.000 0.232 37 D C -0.310 175.981 176.300 -0.015 0.000 1.055 37 D CA 0.166 54.153 54.000 -0.023 0.000 0.891 37 D CB 0.213 40.998 40.800 -0.025 0.000 0.897 37 D HN 0.425 nan 8.370 nan 0.000 0.529 38 D N -0.373 120.018 120.400 -0.015 0.000 2.955 38 D HA -0.234 4.406 4.640 0.000 0.000 0.226 38 D C -0.222 176.072 176.300 -0.009 0.000 1.178 38 D CA 1.142 55.136 54.000 -0.010 0.000 0.808 38 D CB -1.858 38.938 40.800 -0.006 0.000 1.099 38 D HN 0.281 nan 8.370 nan 0.000 0.421 39 S N -2.303 113.390 115.700 -0.012 0.000 3.587 39 S HA -0.205 4.265 4.470 0.000 0.000 0.337 39 S C 0.058 174.653 174.600 -0.008 0.000 1.119 39 S CA 0.828 59.022 58.200 -0.011 0.000 0.976 39 S CB -0.725 62.469 63.200 -0.009 0.000 0.922 39 S HN 0.376 nan 8.310 nan 0.000 0.503 40 V N 1.671 121.580 119.914 -0.008 0.000 2.443 40 V HA 0.250 4.370 4.120 0.000 0.000 0.272 40 V C 0.165 176.256 176.094 -0.005 0.000 1.002 40 V CA -0.622 61.675 62.300 -0.005 0.000 0.840 40 V CB 1.458 33.280 31.823 -0.002 0.000 1.042 40 V HN 0.394 nan 8.190 nan 0.000 0.446 41 E N 2.766 122.962 120.200 -0.006 0.000 2.301 41 E HA 0.644 4.994 4.350 0.000 0.000 0.275 41 E C 0.120 176.719 176.600 -0.002 0.000 1.030 41 E CA -0.293 56.103 56.400 -0.006 0.000 0.852 41 E CB 1.812 31.508 29.700 -0.008 0.000 1.060 41 E HN 0.751 nan 8.360 nan 0.000 0.401 42 T N -2.418 112.136 114.554 -0.000 0.000 2.812 42 T HA 0.189 4.539 4.350 0.000 0.000 0.294 42 T C 0.985 175.688 174.700 0.005 0.000 1.159 42 T CA -0.833 61.270 62.100 0.004 0.000 1.008 42 T CB 0.828 69.701 68.868 0.008 0.000 1.289 42 T HN 0.107 nan 8.240 nan 0.000 0.514 43 V N 1.071 120.991 119.914 0.009 0.000 2.317 43 V HA -0.219 3.901 4.120 0.000 0.000 0.251 43 V C 2.896 178.996 176.094 0.011 0.000 1.065 43 V CA 2.799 65.106 62.300 0.011 0.000 1.049 43 V CB -1.521 30.311 31.823 0.016 0.000 0.651 43 V HN 1.099 nan 8.190 nan 0.000 0.450 44 T N 0.436 114.998 114.554 0.014 0.000 2.674 44 T HA -0.192 4.159 4.350 0.000 0.000 0.265 44 T C 2.120 176.822 174.700 0.004 0.000 1.039 44 T CA 2.053 64.161 62.100 0.013 0.000 1.150 44 T CB -0.396 68.483 68.868 0.018 0.000 0.864 44 T HN 0.761 nan 8.240 nan 0.000 0.427 45 S N 1.266 116.966 115.700 -0.001 0.000 2.383 45 S HA 0.008 4.478 4.470 0.000 0.000 0.227 45 S C 2.112 176.703 174.600 -0.015 0.000 1.026 45 S CA 0.687 58.881 58.200 -0.011 0.000 0.981 45 S CB -0.760 62.433 63.200 -0.012 0.000 0.818 45 S HN 0.483 nan 8.310 nan 0.000 0.472 46 I N 1.655 122.219 120.570 -0.009 0.000 2.252 46 I HA -0.102 4.068 4.170 0.000 0.000 0.245 46 I C 2.775 178.887 176.117 -0.009 0.000 1.102 46 I CA 1.296 62.589 61.300 -0.011 0.000 1.385 46 I CB -0.286 37.711 38.000 -0.006 0.000 1.064 46 I HN 0.255 nan 8.210 nan 0.000 0.414 47 E N 0.259 120.458 120.200 -0.002 0.000 2.107 47 E HA -0.234 4.116 4.350 0.000 0.000 0.191 47 E C 2.000 178.601 176.600 0.001 0.000 0.982 47 E CA 0.918 57.320 56.400 0.003 0.000 0.809 47 E CB -0.257 29.450 29.700 0.013 0.000 0.756 47 E HN 0.387 nan 8.360 nan 0.000 0.459 48 Q N 1.111 120.908 119.800 -0.005 0.000 2.050 48 Q HA -0.040 4.300 4.340 0.000 0.000 0.202 48 Q C 1.999 177.983 176.000 -0.028 0.000 0.980 48 Q CA 2.058 57.855 55.803 -0.011 0.000 0.840 48 Q CB -0.537 28.191 28.738 -0.017 0.000 0.898 48 Q HN 0.181 nan 8.270 nan 0.000 0.424 49 A N 0.655 123.450 122.820 -0.041 0.000 1.908 49 A HA -0.229 4.091 4.320 0.000 0.000 0.218 49 A C 2.009 179.563 177.584 -0.051 0.000 1.181 49 A CA 1.853 53.852 52.037 -0.064 0.000 0.627 49 A CB -0.518 18.447 19.000 -0.058 0.000 0.818 49 A HN 0.439 nan 8.150 nan 0.000 0.445 50 K N -0.521 119.863 120.400 -0.028 0.000 2.097 50 K HA -0.081 4.239 4.320 0.000 0.000 0.206 50 K C 1.880 178.474 176.600 -0.009 0.000 1.049 50 K CA 1.427 57.704 56.287 -0.017 0.000 0.933 50 K CB -0.380 32.115 32.500 -0.008 0.000 0.717 50 K HN 0.324 nan 8.250 nan 0.000 0.442 51 V N 1.826 121.741 119.914 0.001 0.000 2.307 51 V HA -0.219 3.901 4.120 0.000 0.000 0.245 51 V C 2.005 178.122 176.094 0.039 0.000 1.045 51 V CA 1.731 64.046 62.300 0.025 0.000 1.024 51 V CB -0.385 31.462 31.823 0.041 0.000 0.651 51 V HN 0.326 nan 8.190 nan 0.000 0.449 52 E N -0.229 119.978 120.200 0.011 0.000 2.118 52 E HA -0.292 4.058 4.350 0.000 0.000 0.195 52 E C 2.194 178.784 176.600 -0.017 0.000 0.992 52 E CA 1.415 57.810 56.400 -0.008 0.000 0.804 52 E CB -0.112 29.414 29.700 -0.290 0.000 0.741 52 E HN 0.572 nan 8.360 nan 0.000 0.458 53 E N 1.689 121.861 120.200 -0.047 0.000 2.038 53 E HA -0.235 4.115 4.350 0.000 0.000 0.195 53 E C 1.886 178.493 176.600 0.012 0.000 1.000 53 E CA 1.679 58.066 56.400 -0.023 0.000 0.803 53 E CB -0.063 29.620 29.700 -0.028 0.000 0.750 53 E HN 0.045 nan 8.360 nan 0.000 0.448 54 K N -0.381 120.022 120.400 0.005 0.000 2.097 54 K HA -0.071 4.249 4.320 0.000 0.000 0.206 54 K C 1.916 178.494 176.600 -0.036 0.000 1.049 54 K CA 1.339 57.622 56.287 -0.007 0.000 0.933 54 K CB -0.142 32.352 32.500 -0.010 0.000 0.717 54 K HN 0.139 nan 8.250 nan 0.000 0.442 55 I N 1.190 121.740 120.570 -0.033 0.000 2.252 55 I HA -0.193 3.977 4.170 0.000 0.000 0.245 55 I C 2.367 178.293 176.117 -0.319 0.000 1.102 55 I CA 1.296 62.471 61.300 -0.209 0.000 1.385 55 I CB -1.273 36.661 38.000 -0.110 0.000 1.064 55 I HN 0.340 nan 8.210 nan 0.000 0.414 56 Q N 1.483 121.324 119.800 0.067 0.000 2.135 56 Q HA -0.209 4.131 4.340 0.000 0.000 0.204 56 Q C 2.039 178.128 176.000 0.148 0.000 0.981 56 Q CA 1.753 57.703 55.803 0.245 0.000 0.856 56 Q CB -0.153 28.770 28.738 0.309 0.000 0.902 56 Q HN 0.519 nan 8.270 nan 0.000 0.425 57 E N -1.103 119.148 120.200 0.085 0.000 2.110 57 E HA -0.139 4.211 4.350 0.000 0.000 0.193 57 E C 1.948 178.573 176.600 0.042 0.000 0.988 57 E CA 1.332 57.795 56.400 0.105 0.000 0.804 57 E CB 0.030 29.769 29.700 0.064 0.000 0.745 57 E HN 0.194 nan 8.360 nan 0.000 0.458 58 V N 0.813 120.695 119.914 -0.053 0.000 2.358 58 V HA -0.225 3.895 4.120 0.000 0.000 0.246 58 V C 1.966 178.078 176.094 0.031 0.000 1.047 58 V CA 1.598 63.843 62.300 -0.090 0.000 1.035 58 V CB -0.551 31.168 31.823 -0.173 0.000 0.658 58 V HN 0.284 nan 8.190 nan 0.000 0.452 59 F N 0.445 120.409 119.950 0.023 0.000 2.126 59 F HA -0.196 4.331 4.527 0.000 0.000 0.299 59 F C 2.534 178.353 175.800 0.032 0.000 1.096 59 F CA 1.329 59.359 58.000 0.049 0.000 1.255 59 F CB -0.195 38.818 39.000 0.021 0.000 0.997 59 F HN 0.137 nan 8.300 nan 0.000 0.479 60 S N -0.360 115.414 115.700 0.123 0.000 2.562 60 S HA -0.102 4.368 4.470 0.000 0.000 0.221 60 S C 1.961 176.353 174.600 -0.347 0.000 0.975 60 S CA 0.713 58.783 58.200 -0.216 0.000 0.918 60 S CB -0.290 62.660 63.200 -0.416 0.000 0.772 60 S HN 0.421 nan 8.310 nan 0.000 0.531 61 S N 1.309 116.900 115.700 -0.181 0.000 2.387 61 S HA -0.249 4.221 4.470 0.000 0.000 0.230 61 S C 1.532 175.968 174.600 -0.273 0.000 1.035 61 S CA 1.247 59.320 58.200 -0.211 0.000 1.014 61 S CB -0.924 62.078 63.200 -0.329 0.000 0.836 61 S HN 0.617 nan 8.310 nan 0.000 0.466 62 Y N 2.393 122.627 120.300 -0.111 0.000 2.114 62 Y HA -0.086 4.464 4.550 0.000 0.000 0.284 62 Y C 2.759 178.549 175.900 -0.183 0.000 1.143 62 Y CA 1.537 59.570 58.100 -0.112 0.000 1.135 62 Y CB -0.519 37.886 38.460 -0.092 0.000 0.980 62 Y HN 0.248 nan 8.280 nan 0.000 0.499 63 K N 0.254 120.585 120.400 -0.115 0.000 2.015 63 K HA -0.231 4.089 4.320 0.000 0.000 0.216 63 K C 1.690 178.096 176.600 -0.325 0.000 1.052 63 K CA 2.302 58.439 56.287 -0.249 0.000 0.937 63 K CB -0.533 31.686 32.500 -0.467 0.000 0.719 63 K HN 0.189 nan 8.250 nan 0.000 0.446 64 F N 1.091 120.925 119.950 -0.193 0.000 2.408 64 F HA -0.067 4.460 4.527 0.000 0.000 0.300 64 F C 1.450 176.949 175.800 -0.503 0.000 1.090 64 F CA 1.120 58.943 58.000 -0.296 0.000 1.427 64 F CB -0.573 38.346 39.000 -0.134 0.000 1.070 64 F HN 0.272 nan 8.300 nan 0.000 0.549 65 N N -2.070 116.471 118.700 -0.264 0.000 2.254 65 N HA 0.028 4.768 4.740 0.000 0.000 0.190 65 N C -0.672 174.766 175.510 -0.120 0.000 1.107 65 N CA 0.053 52.998 53.050 -0.175 0.000 0.869 65 N CB -0.133 38.325 38.487 -0.050 0.000 0.983 65 N HN 0.244 nan 8.380 nan 0.000 0.487 66 H N 0.053 119.173 119.070 0.083 0.000 2.750 66 H HA -0.110 4.446 4.556 0.000 0.000 0.327 66 H C -1.019 174.343 175.328 0.058 0.000 1.199 66 H CA 0.258 56.344 56.048 0.064 0.000 1.149 66 H CB -1.865 27.931 29.762 0.056 0.000 1.543 66 H HN 0.207 nan 8.280 nan 0.000 0.427 67 L N -0.717 120.587 121.223 0.134 0.000 2.303 67 L HA 0.676 5.016 4.340 0.000 0.000 0.256 67 L C 0.119 177.046 176.870 0.094 0.000 1.034 67 L CA -1.631 53.277 54.840 0.113 0.000 0.832 67 L CB 1.911 44.040 42.059 0.117 0.000 1.403 67 L HN -0.049 nan 8.230 nan 0.000 0.419 68 V N 1.137 121.082 119.914 0.052 0.000 2.432 68 V HA 0.250 4.370 4.120 0.000 0.000 0.275 68 V C -2.074 173.990 176.094 -0.050 0.000 1.043 68 V CA -1.425 60.867 62.300 -0.012 0.000 0.925 68 V CB 0.957 32.765 31.823 -0.025 0.000 0.985 68 V HN 0.583 nan 8.190 nan 0.000 0.466 69 P HA 0.210 nan 4.420 nan 0.000 0.264 69 P C -0.502 176.642 177.300 -0.260 0.000 1.193 69 P CA 0.152 62.895 63.100 -0.595 0.000 0.763 69 P CB 0.275 31.338 31.700 -1.062 0.000 0.810 70 R N 2.947 123.387 120.500 -0.100 0.000 2.412 70 R HA 0.314 4.654 4.340 0.000 0.000 0.304 70 R C -0.979 175.317 176.300 -0.006 0.000 1.066 70 R CA -0.898 55.179 56.100 -0.038 0.000 0.923 70 R CB 0.611 30.919 30.300 0.013 0.000 1.156 70 R HN 0.311 nan 8.270 nan 0.000 0.513 71 L N 4.420 125.619 121.223 -0.039 0.000 2.363 71 L HA 0.218 4.558 4.340 0.000 0.000 0.286 71 L C -0.534 176.341 176.870 0.008 0.000 1.106 71 L CA 0.174 55.012 54.840 -0.003 0.000 0.859 71 L CB 1.078 43.122 42.059 -0.024 0.000 1.223 71 L HN 0.276 nan 8.230 nan 0.000 0.446 72 V N 4.581 124.509 119.914 0.024 0.000 2.495 72 V HA 0.378 4.498 4.120 0.000 0.000 0.298 72 V C -0.204 175.903 176.094 0.020 0.000 1.031 72 V CA -0.917 61.392 62.300 0.014 0.000 0.871 72 V CB 2.102 33.928 31.823 0.005 0.000 0.988 72 V HN 0.428 nan 8.190 nan 0.000 0.432 73 L N 4.980 126.218 121.223 0.024 0.000 2.283 73 L HA 0.413 4.753 4.340 0.000 0.000 0.287 73 L C 0.723 177.571 176.870 -0.036 0.000 1.073 73 L CA 0.225 55.098 54.840 0.054 0.000 0.822 73 L CB 1.022 43.135 42.059 0.090 0.000 1.186 73 L HN 0.601 nan 8.230 nan 0.000 0.436 74 Q N 5.180 124.871 119.800 -0.181 0.000 3.034 74 Q HA -0.001 4.339 4.340 0.000 0.000 0.249 74 Q C 1.099 176.764 176.000 -0.558 0.000 1.282 74 Q CA 0.344 55.908 55.803 -0.398 0.000 0.918 74 Q CB -0.458 27.998 28.738 -0.469 0.000 1.772 74 Q HN 0.706 nan 8.270 nan 0.000 0.498 75 R N 0.510 120.906 120.500 -0.173 0.000 2.096 75 R HA -0.181 4.159 4.340 0.000 0.000 0.240 75 R C 1.383 177.720 176.300 0.062 0.000 1.139 75 R CA 1.235 57.334 56.100 -0.002 0.000 0.952 75 R CB 0.222 30.541 30.300 0.030 0.000 0.854 75 R HN 0.347 nan 8.270 nan 0.000 0.436 76 E N 0.459 120.673 120.200 0.024 0.000 2.152 76 E HA -0.107 4.243 4.350 0.000 0.000 0.192 76 E C 1.824 178.522 176.600 0.163 0.000 0.983 76 E CA 0.789 57.264 56.400 0.126 0.000 0.818 76 E CB -0.003 29.738 29.700 0.067 0.000 0.758 76 E HN 0.145 nan 8.360 nan 0.000 0.467 77 K N 0.439 120.847 120.400 0.013 0.000 2.025 77 K HA -0.102 4.218 4.320 0.000 0.000 0.207 77 K C 2.016 178.731 176.600 0.193 0.000 1.049 77 K CA 1.047 57.354 56.287 0.034 0.000 0.933 77 K CB -0.584 31.844 32.500 -0.120 0.000 0.714 77 K HN 0.270 nan 8.250 nan 0.000 0.438 78 H N -0.452 118.715 119.070 0.163 0.000 2.353 78 H HA -0.113 4.443 4.556 0.000 0.000 0.300 78 H C 1.951 177.428 175.328 0.247 0.000 1.090 78 H CA 1.094 57.263 56.048 0.201 0.000 1.327 78 H CB -0.682 29.170 29.762 0.150 0.000 1.383 78 H HN 0.155 nan 8.280 nan 0.000 0.508 79 F N 1.318 121.417 119.950 0.248 0.000 2.102 79 F HA -0.203 4.324 4.527 0.000 0.000 0.298 79 F C 2.863 178.769 175.800 0.177 0.000 1.105 79 F CA 1.787 59.888 58.000 0.168 0.000 1.239 79 F CB -0.485 38.579 39.000 0.107 0.000 0.991 79 F HN 0.263 nan 8.300 nan 0.000 0.474 80 H N -1.268 117.750 119.070 -0.087 0.000 2.353 80 H HA -0.261 4.295 4.556 0.000 0.000 0.300 80 H C 2.241 177.532 175.328 -0.061 0.000 1.090 80 H CA 2.119 58.081 56.048 -0.143 0.000 1.327 80 H CB -0.902 28.883 29.762 0.038 0.000 1.383 80 H HN 0.426 nan 8.280 nan 0.000 0.508 81 Y N 1.544 121.769 120.300 -0.124 0.000 2.097 81 Y HA -0.244 4.306 4.550 0.000 0.000 0.282 81 Y C 2.599 178.491 175.900 -0.014 0.000 1.152 81 Y CA 1.853 59.908 58.100 -0.075 0.000 1.136 81 Y CB -0.778 37.720 38.460 0.063 0.000 0.975 81 Y HN 0.154 nan 8.280 nan 0.000 0.498 82 L N 0.250 121.408 121.223 -0.109 0.000 2.005 82 L HA -0.231 4.109 4.340 0.000 0.000 0.207 82 L C 2.545 179.190 176.870 -0.375 0.000 1.072 82 L CA 2.080 56.790 54.840 -0.218 0.000 0.744 82 L CB -0.762 41.247 42.059 -0.084 0.000 0.895 82 L HN 0.199 nan 8.230 nan 0.000 0.433 83 K N 0.383 120.470 120.400 -0.521 0.000 2.152 83 K HA -0.236 4.084 4.320 0.000 0.000 0.206 83 K C 2.069 178.439 176.600 -0.385 0.000 1.048 83 K CA 1.583 57.565 56.287 -0.509 0.000 0.933 83 K CB -0.346 31.671 32.500 -0.806 0.000 0.721 83 K HN 0.056 nan 8.250 nan 0.000 0.447 84 R N 0.266 120.518 120.500 -0.413 0.000 2.075 84 R HA 0.084 4.424 4.340 0.000 0.000 0.226 84 R C 2.479 178.596 176.300 -0.306 0.000 1.114 84 R CA 1.460 57.358 56.100 -0.337 0.000 0.972 84 R CB -0.800 29.248 30.300 -0.421 0.000 0.869 84 R HN 0.433 nan 8.270 nan 0.000 0.437 85 G N 0.674 109.254 108.800 -0.367 0.000 2.448 85 G HA2 -0.229 3.731 3.960 0.000 0.000 0.219 85 G HA3 -0.229 3.731 3.960 0.000 0.000 0.219 85 G C 1.191 175.724 174.900 -0.611 0.000 1.127 85 G CA 0.511 45.287 45.100 -0.540 0.000 0.766 85 G HN 0.293 nan 8.290 nan 0.000 0.552 86 L N -0.148 120.778 121.223 -0.494 0.000 2.275 86 L HA 0.154 4.494 4.340 0.000 0.000 0.215 86 L C 2.472 179.149 176.870 -0.322 0.000 1.119 86 L CA 1.248 55.849 54.840 -0.397 0.000 0.790 86 L CB -0.095 41.782 42.059 -0.303 0.000 0.919 86 L HN 0.021 nan 8.230 nan 0.000 0.443 87 R N -0.506 119.824 120.500 -0.283 0.000 2.142 87 R HA 0.268 4.608 4.340 0.000 0.000 0.204 87 R C 0.256 176.425 176.300 -0.217 0.000 1.059 87 R CA 0.587 56.553 56.100 -0.224 0.000 1.055 87 R CB -0.051 30.150 30.300 -0.165 0.000 0.976 87 R HN 0.610 nan 8.270 nan 0.000 0.483 88 Q N -0.251 119.425 119.800 -0.207 0.000 2.482 88 Q HA 0.638 4.978 4.340 0.000 0.000 0.286 88 Q C -1.427 174.483 176.000 -0.150 0.000 1.007 88 Q CA -0.742 54.965 55.803 -0.160 0.000 0.801 88 Q CB 2.003 30.683 28.738 -0.097 0.000 1.455 88 Q HN -0.058 nan 8.270 nan 0.000 0.398 89 L N 0.822 121.987 121.223 -0.096 0.000 2.393 89 L HA 0.622 4.962 4.340 0.000 0.000 0.260 89 L C 0.092 177.020 176.870 0.096 0.000 1.002 89 L CA -0.953 53.870 54.840 -0.029 0.000 0.818 89 L CB 2.531 44.490 42.059 -0.166 0.000 1.369 89 L HN 0.970 nan 8.230 nan 0.000 0.412 90 T N -3.643 111.032 114.554 0.201 0.000 2.726 90 T HA 0.053 4.403 4.350 0.000 0.000 0.294 90 T C 0.740 175.561 174.700 0.202 0.000 1.013 90 T CA -0.138 62.070 62.100 0.180 0.000 0.996 90 T CB 0.532 69.507 68.868 0.178 0.000 1.016 90 T HN 0.757 nan 8.240 nan 0.000 0.529 91 D N -0.275 120.202 120.400 0.130 0.000 2.392 91 D HA -0.000 4.640 4.640 0.000 0.000 0.228 91 D C 1.855 178.213 176.300 0.097 0.000 1.003 91 D CA 0.799 54.863 54.000 0.108 0.000 0.917 91 D CB -0.718 40.124 40.800 0.069 0.000 0.890 91 D HN 0.670 nan 8.370 nan 0.000 0.532 92 A N -0.350 122.532 122.820 0.104 0.000 2.067 92 A HA -0.115 4.205 4.320 0.000 0.000 0.219 92 A C 1.310 178.816 177.584 -0.129 0.000 1.158 92 A CA 0.526 52.558 52.037 -0.009 0.000 0.661 92 A CB -0.892 18.094 19.000 -0.023 0.000 0.801 92 A HN 0.318 nan 8.150 nan 0.000 0.452 93 Y N 0.290 120.651 120.300 0.102 0.000 2.471 93 Y HA 0.095 4.645 4.550 0.000 0.000 0.286 93 Y C 1.858 177.818 175.900 0.100 0.000 1.188 93 Y CA 0.287 58.463 58.100 0.126 0.000 1.286 93 Y CB -0.058 38.494 38.460 0.153 0.000 1.072 93 Y HN 0.458 nan 8.280 nan 0.000 0.517 94 E N -0.545 119.736 120.200 0.134 0.000 2.204 94 E HA -0.230 4.120 4.350 0.000 0.000 0.195 94 E C 2.035 178.687 176.600 0.088 0.000 0.990 94 E CA 1.403 57.865 56.400 0.103 0.000 0.821 94 E CB -0.243 29.497 29.700 0.067 0.000 0.750 94 E HN 0.640 nan 8.360 nan 0.000 0.477 95 C N -0.636 118.701 119.300 0.062 0.000 2.491 95 C HA 0.127 4.587 4.460 0.000 0.000 0.277 95 C C 1.642 176.692 174.990 0.100 0.000 1.455 95 C CA -0.202 58.848 59.018 0.054 0.000 1.758 95 C CB -0.963 26.784 27.740 0.012 0.000 1.745 95 C HN 0.213 nan 8.230 nan 0.000 0.558 96 L N 0.631 121.954 121.223 0.168 0.000 3.168 96 L HA 0.255 4.595 4.340 0.000 0.000 0.277 96 L C 1.497 178.490 176.870 0.205 0.000 1.245 96 L CA 0.158 55.140 54.840 0.237 0.000 1.035 96 L CB -0.156 42.156 42.059 0.420 0.000 1.399 96 L HN 0.124 nan 8.230 nan 0.000 0.580 97 D N 1.157 121.647 120.400 0.150 0.000 2.310 97 D HA -0.099 4.541 4.640 0.000 0.000 0.212 97 D C 1.650 178.012 176.300 0.104 0.000 0.965 97 D CA 1.027 55.099 54.000 0.121 0.000 0.879 97 D CB 0.513 41.367 40.800 0.090 0.000 0.921 97 D HN 0.290 nan 8.370 nan 0.000 0.510 98 A N -0.976 121.901 122.820 0.095 0.000 2.535 98 A HA 0.373 4.693 4.320 0.000 0.000 0.273 98 A C 0.948 178.593 177.584 0.101 0.000 1.267 98 A CA -0.282 51.796 52.037 0.068 0.000 0.940 98 A CB 0.471 19.487 19.000 0.026 0.000 1.101 98 A HN 0.037 nan 8.150 nan 0.000 0.521 99 S N -0.618 115.176 115.700 0.158 0.000 2.902 99 S HA 0.175 4.645 4.470 0.000 0.000 0.250 99 S C 1.225 175.931 174.600 0.177 0.000 1.046 99 S CA -0.481 57.864 58.200 0.241 0.000 1.069 99 S CB 0.032 63.378 63.200 0.244 0.000 0.967 99 S HN 0.586 nan 8.310 nan 0.000 0.530 100 R N 1.825 122.418 120.500 0.156 0.000 2.096 100 R HA -0.044 4.296 4.340 0.000 0.000 0.235 100 R C -1.104 175.274 176.300 0.131 0.000 1.127 100 R CA 1.323 57.527 56.100 0.173 0.000 0.968 100 R CB -1.244 29.252 30.300 0.326 0.000 0.861 100 R HN 0.283 nan 8.270 nan 0.000 0.440 101 P HA -0.136 nan 4.420 nan 0.000 0.221 101 P C 0.377 177.532 177.300 -0.241 0.000 1.150 101 P CA 0.994 64.021 63.100 -0.123 0.000 0.800 101 P CB -0.036 31.499 31.700 -0.276 0.000 0.787 102 W N -0.744 120.364 121.300 -0.319 0.000 2.381 102 W HA -0.048 4.612 4.660 0.000 0.000 0.301 102 W C 2.093 178.055 176.519 -0.929 0.000 1.205 102 W CA 0.422 57.319 57.345 -0.746 0.000 1.285 102 W CB -0.890 27.921 29.460 -1.083 0.000 1.133 102 W HN -0.154 nan 8.180 nan 0.000 0.521 103 L N -0.836 120.214 121.223 -0.288 0.000 2.079 103 L HA -0.298 4.042 4.340 0.000 0.000 0.210 103 L C 2.351 179.149 176.870 -0.121 0.000 1.081 103 L CA 1.155 55.950 54.840 -0.075 0.000 0.752 103 L CB -0.936 41.087 42.059 -0.060 0.000 0.896 103 L HN 0.105 nan 8.230 nan 0.000 0.433 104 C N -1.449 117.776 119.300 -0.125 0.000 2.436 104 C HA -0.227 4.233 4.460 0.000 0.000 0.277 104 C C 2.719 177.667 174.990 -0.070 0.000 1.241 104 C CA 0.623 59.575 59.018 -0.110 0.000 1.721 104 C CB -0.854 26.851 27.740 -0.058 0.000 2.043 104 C HN 0.567 nan 8.230 nan 0.000 0.472 105 Y N 0.740 120.933 120.300 -0.178 0.000 2.097 105 Y HA -0.204 4.346 4.550 0.000 0.000 0.282 105 Y C 2.320 178.267 175.900 0.079 0.000 1.152 105 Y CA 1.512 59.538 58.100 -0.124 0.000 1.136 105 Y CB -0.741 37.575 38.460 -0.240 0.000 0.975 105 Y HN 0.379 nan 8.280 nan 0.000 0.498 106 W N 0.580 121.766 121.300 -0.190 0.000 2.321 106 W HA -0.237 4.423 4.660 0.000 0.000 0.306 106 W C 2.498 178.858 176.519 -0.264 0.000 1.217 106 W CA 1.560 58.739 57.345 -0.277 0.000 1.257 106 W CB -1.261 28.238 29.460 0.066 0.000 1.145 106 W HN 0.209 nan 8.180 nan 0.000 0.509 107 I N -0.849 119.725 120.570 0.006 0.000 2.193 107 I HA -0.267 3.903 4.170 0.000 0.000 0.240 107 I C 2.321 178.367 176.117 -0.117 0.000 1.084 107 I CA 0.722 61.950 61.300 -0.120 0.000 1.365 107 I CB -0.826 36.989 38.000 -0.309 0.000 1.064 107 I HN -0.199 nan 8.210 nan 0.000 0.410 108 L N 0.316 121.471 121.223 -0.113 0.000 2.127 108 L HA -0.264 4.076 4.340 0.000 0.000 0.211 108 L C 2.559 179.396 176.870 -0.055 0.000 1.089 108 L CA 1.925 56.720 54.840 -0.075 0.000 0.757 108 L CB -1.162 40.865 42.059 -0.053 0.000 0.899 108 L HN 0.323 nan 8.230 nan 0.000 0.434 109 H N -1.815 117.107 119.070 -0.246 0.000 2.436 109 H HA 0.012 4.568 4.556 0.000 0.000 0.294 109 H C 2.260 177.472 175.328 -0.195 0.000 1.048 109 H CA 1.441 57.329 56.048 -0.266 0.000 1.353 109 H CB 0.283 29.704 29.762 -0.569 0.000 1.414 109 H HN 0.190 nan 8.280 nan 0.000 0.536 110 S N -0.061 115.483 115.700 -0.260 0.000 2.368 110 S HA -0.061 4.409 4.470 0.000 0.000 0.224 110 S C 2.240 176.766 174.600 -0.124 0.000 1.029 110 S CA 1.067 59.127 58.200 -0.232 0.000 0.988 110 S CB -0.215 62.919 63.200 -0.110 0.000 0.838 110 S HN 0.364 nan 8.310 nan 0.000 0.462 111 L N 1.403 122.592 121.223 -0.056 0.000 2.083 111 L HA -0.148 4.192 4.340 0.000 0.000 0.209 111 L C 2.716 179.583 176.870 -0.006 0.000 1.083 111 L CA 1.490 56.350 54.840 0.033 0.000 0.752 111 L CB -0.539 41.553 42.059 0.055 0.000 0.899 111 L HN 0.439 nan 8.230 nan 0.000 0.433 112 E N 0.809 120.972 120.200 -0.062 0.000 2.110 112 E HA -0.220 4.130 4.350 0.000 0.000 0.193 112 E C 2.302 178.853 176.600 -0.082 0.000 0.988 112 E CA 1.047 57.415 56.400 -0.052 0.000 0.804 112 E CB -0.039 29.653 29.700 -0.013 0.000 0.745 112 E HN 0.500 nan 8.360 nan 0.000 0.458 113 L N 0.538 121.650 121.223 -0.185 0.000 2.156 113 L HA -0.084 4.256 4.340 0.000 0.000 0.208 113 L C 2.214 179.059 176.870 -0.042 0.000 1.095 113 L CA 0.539 55.294 54.840 -0.142 0.000 0.770 113 L CB -0.077 41.826 42.059 -0.259 0.000 0.914 113 L HN 0.228 nan 8.230 nan 0.000 0.439 114 L N -0.585 120.624 121.223 -0.024 0.000 2.627 114 L HA -0.014 4.326 4.340 0.000 0.000 0.233 114 L C 0.659 177.534 176.870 0.008 0.000 1.144 114 L CA 0.023 54.879 54.840 0.026 0.000 0.892 114 L CB -0.307 41.804 42.059 0.086 0.000 1.039 114 L HN 0.256 nan 8.230 nan 0.000 0.442 115 D N 0.253 120.650 120.400 -0.004 0.000 3.077 115 D HA -0.175 4.465 4.640 0.000 0.000 0.217 115 D C 0.315 176.596 176.300 -0.031 0.000 1.162 115 D CA 0.836 54.827 54.000 -0.014 0.000 0.943 115 D CB -0.211 40.580 40.800 -0.015 0.000 1.122 115 D HN 0.295 nan 8.370 nan 0.000 0.413 116 E N 1.015 121.206 120.200 -0.015 0.000 2.338 116 E HA 0.308 4.658 4.350 0.000 0.000 0.272 116 E C -1.785 174.824 176.600 0.015 0.000 1.029 116 E CA -1.130 55.254 56.400 -0.026 0.000 0.872 116 E CB 0.623 30.384 29.700 0.102 0.000 1.015 116 E HN 0.354 nan 8.360 nan 0.000 0.417 117 P HA 0.336 nan 4.420 nan 0.000 0.279 117 P C -0.270 177.049 177.300 0.032 0.000 1.252 117 P CA -0.435 62.669 63.100 0.007 0.000 0.811 117 P CB 1.000 32.692 31.700 -0.014 0.000 1.035 118 I N 2.182 122.757 120.570 0.007 0.000 2.371 118 I HA 0.249 4.419 4.170 0.000 0.000 0.282 118 I C -2.131 173.979 176.117 -0.011 0.000 1.031 118 I CA -2.344 58.955 61.300 -0.001 0.000 1.180 118 I CB 1.011 38.997 38.000 -0.023 0.000 1.336 118 I HN 0.100 nan 8.210 nan 0.000 0.467 119 P HA 0.025 nan 4.420 nan 0.000 0.264 119 P C 0.484 177.771 177.300 -0.022 0.000 1.183 119 P CA -0.017 63.078 63.100 -0.009 0.000 0.763 119 P CB 0.529 32.229 31.700 -0.000 0.000 0.807 120 Q N 1.693 121.477 119.800 -0.026 0.000 2.268 120 Q HA -0.217 4.123 4.340 0.000 0.000 0.210 120 Q C 1.598 177.579 176.000 -0.032 0.000 0.988 120 Q CA 1.122 56.904 55.803 -0.034 0.000 0.883 120 Q CB -0.445 28.274 28.738 -0.032 0.000 0.911 120 Q HN 0.472 nan 8.270 nan 0.000 0.430 121 I N -0.449 120.106 120.570 -0.025 0.000 2.333 121 I HA -0.165 4.005 4.170 0.000 0.000 0.246 121 I C 1.882 177.981 176.117 -0.029 0.000 1.106 121 I CA 0.897 62.182 61.300 -0.024 0.000 1.411 121 I CB -0.036 37.952 38.000 -0.019 0.000 1.082 121 I HN -0.101 nan 8.210 nan 0.000 0.420 122 V N 1.442 121.337 119.914 -0.032 0.000 2.307 122 V HA -0.228 3.892 4.120 0.000 0.000 0.245 122 V C 2.818 178.884 176.094 -0.045 0.000 1.045 122 V CA 1.734 64.008 62.300 -0.043 0.000 1.024 122 V CB -1.695 30.101 31.823 -0.045 0.000 0.651 122 V HN 0.533 nan 8.190 nan 0.000 0.449 123 A N -0.447 122.346 122.820 -0.045 0.000 1.892 123 A HA -0.316 4.004 4.320 0.000 0.000 0.218 123 A C 2.477 180.033 177.584 -0.047 0.000 1.188 123 A CA 2.808 54.813 52.037 -0.053 0.000 0.631 123 A CB -1.125 17.837 19.000 -0.064 0.000 0.822 123 A HN 0.475 nan 8.150 nan 0.000 0.447 124 T N -0.821 113.709 114.554 -0.039 0.000 2.788 124 T HA -0.134 4.216 4.350 0.000 0.000 0.268 124 T C 1.514 176.208 174.700 -0.011 0.000 1.044 124 T CA 1.761 63.844 62.100 -0.029 0.000 1.139 124 T CB -0.560 68.293 68.868 -0.026 0.000 0.867 124 T HN 0.490 nan 8.240 nan 0.000 0.454 125 D N 0.531 120.923 120.400 -0.013 0.000 2.117 125 D HA -0.041 4.599 4.640 0.000 0.000 0.198 125 D C 2.245 178.565 176.300 0.032 0.000 0.982 125 D CA 0.812 54.812 54.000 0.001 0.000 0.828 125 D CB -0.416 40.368 40.800 -0.027 0.000 0.967 125 D HN 0.317 nan 8.370 nan 0.000 0.464 126 V N 0.876 120.796 119.914 0.009 0.000 2.343 126 V HA -0.251 3.869 4.120 0.000 0.000 0.247 126 V C 2.755 178.891 176.094 0.069 0.000 1.051 126 V CA 1.189 63.513 62.300 0.040 0.000 1.036 126 V CB -0.555 31.257 31.823 -0.018 0.000 0.654 126 V HN 0.272 nan 8.190 nan 0.000 0.451 127 C N -0.315 118.996 119.300 0.018 0.000 2.413 127 C HA -0.222 4.238 4.460 0.000 0.000 0.276 127 C C 2.883 177.896 174.990 0.038 0.000 1.236 127 C CA 1.265 60.289 59.018 0.009 0.000 1.735 127 C CB -1.124 26.606 27.740 -0.017 0.000 2.031 127 C HN 0.613 nan 8.230 nan 0.000 0.474 128 Q N -0.812 119.018 119.800 0.050 0.000 2.119 128 Q HA -0.179 4.161 4.340 0.000 0.000 0.201 128 Q C 1.996 178.046 176.000 0.083 0.000 0.972 128 Q CA 1.533 57.370 55.803 0.056 0.000 0.847 128 Q CB -0.334 28.435 28.738 0.052 0.000 0.903 128 Q HN 0.769 nan 8.270 nan 0.000 0.433 129 F N 1.259 121.198 119.950 -0.018 0.000 2.113 129 F HA -0.132 4.395 4.527 0.000 0.000 0.297 129 F C 1.689 177.493 175.800 0.007 0.000 1.103 129 F CA 1.193 59.183 58.000 -0.017 0.000 1.248 129 F CB -0.219 38.755 39.000 -0.042 0.000 0.999 129 F HN -0.061 nan 8.300 nan 0.000 0.475 130 L N 0.172 121.313 121.223 -0.136 0.000 2.187 130 L HA -0.207 4.133 4.340 0.000 0.000 0.213 130 L C 2.309 179.189 176.870 0.015 0.000 1.100 130 L CA 1.481 56.227 54.840 -0.157 0.000 0.765 130 L CB -0.836 41.160 42.059 -0.105 0.000 0.904 130 L HN 0.246 nan 8.230 nan 0.000 0.437 131 E N 0.286 120.488 120.200 0.004 0.000 2.110 131 E HA -0.204 4.146 4.350 0.000 0.000 0.193 131 E C 2.304 178.862 176.600 -0.071 0.000 0.988 131 E CA 1.017 57.421 56.400 0.007 0.000 0.804 131 E CB -0.111 29.593 29.700 0.006 0.000 0.745 131 E HN 0.517 nan 8.360 nan 0.000 0.458 132 L N 0.079 121.220 121.223 -0.137 0.000 2.217 132 L HA -0.129 4.211 4.340 0.000 0.000 0.211 132 L C 2.276 179.022 176.870 -0.208 0.000 1.107 132 L CA 0.449 55.192 54.840 -0.162 0.000 0.783 132 L CB -0.086 41.878 42.059 -0.158 0.000 0.919 132 L HN 0.259 nan 8.230 nan 0.000 0.442 133 C N -1.062 118.074 119.300 -0.274 0.000 2.514 133 C HA -0.027 4.433 4.460 0.000 0.000 0.271 133 C C 1.517 176.456 174.990 -0.085 0.000 1.399 133 C CA -0.448 58.456 59.018 -0.190 0.000 1.765 133 C CB -0.768 26.833 27.740 -0.232 0.000 1.893 133 C HN 0.409 nan 8.230 nan 0.000 0.531 134 Q N 1.564 121.273 119.800 -0.152 0.000 2.332 134 Q HA 0.181 4.521 4.340 0.000 0.000 0.263 134 Q C 0.161 175.943 176.000 -0.362 0.000 0.979 134 Q CA 0.218 55.704 55.803 -0.529 0.000 0.885 134 Q CB 0.614 28.950 28.738 -0.670 0.000 1.218 134 Q HN 0.437 nan 8.270 nan 0.000 0.405 135 S N 3.850 119.306 115.700 -0.407 0.000 2.586 135 S HA 0.338 4.808 4.470 0.000 0.000 0.274 135 S C -1.649 172.810 174.600 -0.235 0.000 1.281 135 S CA -1.593 56.449 58.200 -0.264 0.000 1.035 135 S CB 0.833 63.873 63.200 -0.267 0.000 0.962 135 S HN 0.670 nan 8.310 nan 0.000 0.512 136 P HA 0.003 nan 4.420 nan 0.000 0.228 136 P C -0.085 177.147 177.300 -0.113 0.000 1.151 136 P CA 0.799 63.829 63.100 -0.117 0.000 0.770 136 P CB 0.067 31.720 31.700 -0.078 0.000 0.786 137 D N -0.181 120.138 120.400 -0.135 0.000 2.340 137 D HA 0.267 4.907 4.640 0.000 0.000 0.217 137 D C 1.168 177.397 176.300 -0.119 0.000 1.081 137 D CA 0.515 54.454 54.000 -0.102 0.000 0.842 137 D CB 0.275 41.029 40.800 -0.077 0.000 0.934 137 D HN 0.159 nan 8.370 nan 0.000 0.511 138 G N -0.110 108.561 108.800 -0.214 0.000 2.692 138 G HA2 0.370 4.330 3.960 0.000 0.000 0.686 138 G HA3 0.370 4.330 3.960 0.000 0.000 0.686 138 G C 0.292 174.869 174.900 -0.538 0.000 1.243 138 G CA -0.428 44.528 45.100 -0.240 0.000 0.782 138 G HN 0.734 nan 8.290 nan 0.000 0.625 139 G N -0.903 107.609 108.800 -0.481 0.000 2.829 139 G HA2 0.339 4.299 3.960 0.000 0.000 0.628 139 G HA3 0.339 4.299 3.960 0.000 0.000 0.628 139 G C -0.448 174.067 174.900 -0.641 0.000 1.412 139 G CA 0.168 44.974 45.100 -0.491 0.000 0.864 139 G HN 1.791 nan 8.290 nan 0.000 0.544 140 F N 0.455 120.280 119.950 -0.208 0.000 2.532 140 F HA 0.689 5.216 4.527 0.000 0.000 0.321 140 F C 1.119 176.852 175.800 -0.111 0.000 1.089 140 F CA 0.183 58.084 58.000 -0.165 0.000 0.926 140 F CB 2.097 41.000 39.000 -0.162 0.000 1.168 140 F HN 0.800 nan 8.300 nan 0.000 0.459 141 G N 0.093 108.927 108.800 0.056 0.000 2.522 141 G HA2 0.428 4.388 3.960 0.000 0.000 0.304 141 G HA3 0.428 4.388 3.960 0.000 0.000 0.304 141 G C 0.816 175.738 174.900 0.036 0.000 1.210 141 G CA -0.444 44.685 45.100 0.049 0.000 0.960 141 G HN 0.922 nan 8.290 nan 0.000 0.497 142 G N -1.648 107.168 108.800 0.026 0.000 2.956 142 G HA2 0.469 4.429 3.960 0.000 0.000 0.207 142 G HA3 0.469 4.429 3.960 0.000 0.000 0.207 142 G C 0.624 175.554 174.900 0.049 0.000 1.162 142 G CA 0.824 45.945 45.100 0.036 0.000 0.796 142 G HN 1.203 nan 8.290 nan 0.000 0.527 143 G N -1.207 107.596 108.800 0.005 0.000 2.451 143 G HA2 0.467 4.427 3.960 0.000 0.000 0.292 143 G HA3 0.467 4.427 3.960 0.000 0.000 0.292 143 G C -3.447 171.412 174.900 -0.068 0.000 1.427 143 G CA -0.977 44.133 45.100 0.018 0.000 0.792 143 G HN -0.121 nan 8.290 nan 0.000 0.498 144 P HA 0.311 nan 4.420 nan 0.000 0.260 144 P C 0.965 178.238 177.300 -0.045 0.000 1.207 144 P CA 1.998 65.050 63.100 -0.080 0.000 0.780 144 P CB 0.744 32.438 31.700 -0.009 0.000 0.789 145 G N 2.169 110.936 108.800 -0.055 0.000 2.176 145 G HA2 -0.239 3.721 3.960 0.000 0.000 0.253 145 G HA3 -0.239 3.721 3.960 0.000 0.000 0.253 145 G C 0.064 174.933 174.900 -0.051 0.000 0.979 145 G CA -0.404 44.675 45.100 -0.036 0.000 0.641 145 G HN 0.535 nan 8.290 nan 0.000 0.530 146 Q N -0.430 119.334 119.800 -0.059 0.000 2.259 146 Q HA 0.511 4.851 4.340 0.000 0.000 0.246 146 Q C 0.134 176.154 176.000 0.032 0.000 0.920 146 Q CA -0.678 55.067 55.803 -0.096 0.000 0.895 146 Q CB 0.960 29.657 28.738 -0.068 0.000 1.220 146 Q HN 0.505 nan 8.270 nan 0.000 0.439 147 Y N 2.048 122.337 120.300 -0.017 0.000 2.683 147 Y HA 0.019 4.569 4.550 0.000 0.000 0.340 147 Y C -1.548 174.346 175.900 -0.010 0.000 1.245 147 Y CA -1.819 56.273 58.100 -0.013 0.000 1.485 147 Y CB 0.018 38.491 38.460 0.021 0.000 1.328 147 Y HN 0.417 nan 8.280 nan 0.000 0.603 148 P HA 0.011 nan 4.420 nan 0.000 0.272 148 P C -1.032 176.420 177.300 0.255 0.000 1.223 148 P CA 0.442 63.535 63.100 -0.011 0.000 0.784 148 P CB 1.260 32.660 31.700 -0.501 0.000 0.923 149 H N 1.734 120.915 119.070 0.186 0.000 2.996 149 H HA 0.212 4.768 4.556 0.000 0.000 0.368 149 H C 0.617 176.139 175.328 0.323 0.000 1.185 149 H CA -0.594 55.639 56.048 0.309 0.000 1.160 149 H CB 1.688 31.561 29.762 0.186 0.000 1.820 149 H HN 0.212 nan 8.280 nan 0.000 0.547 150 L N 2.369 123.831 121.223 0.398 0.000 2.141 150 L HA -0.110 4.230 4.340 0.000 0.000 0.209 150 L C 2.486 179.589 176.870 0.388 0.000 1.094 150 L CA 1.405 56.454 54.840 0.347 0.000 0.763 150 L CB -0.433 41.727 42.059 0.168 0.000 0.908 150 L HN 0.678 nan 8.230 nan 0.000 0.437 151 A N 1.018 124.221 122.820 0.638 0.000 1.845 151 A HA -0.111 4.209 4.320 0.000 0.000 0.215 151 A C -0.162 177.490 177.584 0.113 0.000 1.195 151 A CA 1.625 54.008 52.037 0.577 0.000 0.616 151 A CB -1.849 17.645 19.000 0.825 0.000 0.832 151 A HN 0.282 nan 8.150 nan 0.000 0.443 152 P HA -0.063 nan 4.420 nan 0.000 0.223 152 P C 1.181 178.345 177.300 -0.228 0.000 1.151 152 P CA 1.460 64.400 63.100 -0.266 0.000 0.787 152 P CB -0.282 31.389 31.700 -0.048 0.000 0.788 153 T N -0.733 113.836 114.554 0.025 0.000 2.737 153 T HA -0.173 4.177 4.350 0.000 0.000 0.265 153 T C 1.702 176.333 174.700 -0.116 0.000 1.038 153 T CA 1.139 63.308 62.100 0.115 0.000 1.144 153 T CB -1.068 67.970 68.868 0.283 0.000 0.866 153 T HN 0.091 nan 8.240 nan 0.000 0.434 154 Y N 2.165 122.317 120.300 -0.246 0.000 2.181 154 Y HA -0.050 4.500 4.550 0.000 0.000 0.288 154 Y C 2.474 178.016 175.900 -0.595 0.000 1.146 154 Y CA 1.080 58.971 58.100 -0.348 0.000 1.164 154 Y CB -0.662 37.647 38.460 -0.253 0.000 0.982 154 Y HN 0.162 nan 8.280 nan 0.000 0.515 155 A N 0.787 123.072 122.820 -0.892 0.000 1.898 155 A HA -0.082 4.238 4.320 0.000 0.000 0.216 155 A C 2.432 179.553 177.584 -0.772 0.000 1.181 155 A CA 1.878 53.239 52.037 -1.127 0.000 0.620 155 A CB -1.536 16.572 19.000 -1.486 0.000 0.819 155 A HN 0.652 nan 8.150 nan 0.000 0.442 156 A N -0.558 121.812 122.820 -0.751 0.000 1.877 156 A HA -0.010 4.310 4.320 0.000 0.000 0.216 156 A C 2.234 179.367 177.584 -0.752 0.000 1.186 156 A CA 1.850 53.372 52.037 -0.857 0.000 0.620 156 A CB -0.966 17.098 19.000 -1.560 0.000 0.822 156 A HN 0.397 nan 8.150 nan 0.000 0.443 157 V N 0.697 120.205 119.914 -0.676 0.000 2.358 157 V HA -0.229 3.891 4.120 0.000 0.000 0.246 157 V C 2.347 178.217 176.094 -0.373 0.000 1.047 157 V CA 2.176 64.222 62.300 -0.422 0.000 1.035 157 V CB -1.029 30.620 31.823 -0.291 0.000 0.658 157 V HN 0.542 nan 8.190 nan 0.000 0.452 158 N N 0.324 118.693 118.700 -0.551 0.000 2.166 158 N HA -0.101 4.639 4.740 0.000 0.000 0.186 158 N C 1.838 177.221 175.510 -0.212 0.000 1.019 158 N CA 1.585 54.345 53.050 -0.483 0.000 0.856 158 N CB -0.468 37.447 38.487 -0.953 0.000 0.993 158 N HN 0.472 nan 8.380 nan 0.000 0.426 159 A N 0.837 123.533 122.820 -0.208 0.000 1.858 159 A HA -0.080 4.240 4.320 0.000 0.000 0.216 159 A C 2.281 179.805 177.584 -0.100 0.000 1.190 159 A CA 1.063 53.053 52.037 -0.080 0.000 0.617 159 A CB -0.923 18.002 19.000 -0.125 0.000 0.827 159 A HN 0.276 nan 8.150 nan 0.000 0.443 160 L N -0.759 120.375 121.223 -0.149 0.000 2.187 160 L HA -0.264 4.076 4.340 0.000 0.000 0.213 160 L C 2.545 179.380 176.870 -0.058 0.000 1.100 160 L CA 1.095 55.874 54.840 -0.102 0.000 0.765 160 L CB -0.621 41.397 42.059 -0.069 0.000 0.904 160 L HN 0.512 nan 8.230 nan 0.000 0.437 161 C N -0.562 118.733 119.300 -0.008 0.000 2.467 161 C HA -0.011 4.449 4.460 0.000 0.000 0.279 161 C C 2.668 177.673 174.990 0.024 0.000 1.347 161 C CA 0.012 59.079 59.018 0.082 0.000 1.748 161 C CB -0.441 27.327 27.740 0.047 0.000 1.977 161 C HN 0.433 nan 8.230 nan 0.000 0.501 162 I N 0.783 121.353 120.570 -0.001 0.000 2.252 162 I HA -0.177 3.993 4.170 0.000 0.000 0.245 162 I C 2.275 178.374 176.117 -0.030 0.000 1.102 162 I CA 1.655 62.965 61.300 0.018 0.000 1.385 162 I CB -0.318 37.713 38.000 0.051 0.000 1.064 162 I HN 0.296 nan 8.210 nan 0.000 0.414 163 I N 0.616 121.140 120.570 -0.076 0.000 2.202 163 I HA -0.173 3.997 4.170 0.000 0.000 0.242 163 I C 1.818 177.817 176.117 -0.197 0.000 1.091 163 I CA 1.296 62.523 61.300 -0.121 0.000 1.368 163 I CB -0.832 37.086 38.000 -0.137 0.000 1.058 163 I HN 0.452 nan 8.210 nan 0.000 0.410 164 G N 1.898 110.512 108.800 -0.310 0.000 2.225 164 G HA2 -0.277 3.683 3.960 0.000 0.000 0.267 164 G HA3 -0.277 3.683 3.960 0.000 0.000 0.267 164 G C 0.411 174.847 174.900 -0.773 0.000 1.024 164 G CA 0.609 45.392 45.100 -0.528 0.000 0.784 164 G HN 0.542 nan 8.290 nan 0.000 0.507 165 T N -3.573 110.545 114.554 -0.727 0.000 2.912 165 T HA 0.649 4.999 4.350 0.000 0.000 0.280 165 T C 1.237 175.529 174.700 -0.679 0.000 0.989 165 T CA 0.118 61.903 62.100 -0.526 0.000 0.995 165 T CB 1.605 70.302 68.868 -0.286 0.000 1.077 165 T HN -0.013 nan 8.240 nan 0.000 0.531 166 E N 0.335 120.335 120.200 -0.334 0.000 2.150 166 E HA -0.144 4.206 4.350 0.000 0.000 0.193 166 E C 1.856 178.376 176.600 -0.134 0.000 0.985 166 E CA 1.203 57.492 56.400 -0.185 0.000 0.814 166 E CB -0.219 29.445 29.700 -0.060 0.000 0.752 166 E HN 0.940 nan 8.360 nan 0.000 0.466 167 E N 0.985 121.100 120.200 -0.141 0.000 2.051 167 E HA -0.187 4.163 4.350 0.000 0.000 0.192 167 E C 2.030 178.580 176.600 -0.084 0.000 0.991 167 E CA 1.194 57.544 56.400 -0.083 0.000 0.799 167 E CB -0.030 29.621 29.700 -0.081 0.000 0.748 167 E HN 0.152 nan 8.360 nan 0.000 0.449 168 A N 0.503 123.211 122.820 -0.187 0.000 1.858 168 A HA -0.191 4.129 4.320 0.000 0.000 0.216 168 A C 2.066 179.637 177.584 -0.022 0.000 1.190 168 A CA 1.658 53.597 52.037 -0.163 0.000 0.617 168 A CB -1.294 17.519 19.000 -0.312 0.000 0.827 168 A HN 0.537 nan 8.150 nan 0.000 0.443 169 Y N 0.209 120.473 120.300 -0.059 0.000 2.193 169 Y HA -0.247 4.303 4.550 0.000 0.000 0.285 169 Y C 2.342 178.340 175.900 0.164 0.000 1.166 169 Y CA 0.921 59.033 58.100 0.020 0.000 1.181 169 Y CB -0.271 37.889 38.460 -0.500 0.000 0.976 169 Y HN 0.318 nan 8.280 nan 0.000 0.520 170 N N -0.212 118.620 118.700 0.219 0.000 2.459 170 N HA -0.106 4.634 4.740 0.000 0.000 0.181 170 N C 1.732 177.338 175.510 0.160 0.000 1.046 170 N CA 0.601 53.763 53.050 0.187 0.000 0.904 170 N CB -0.353 38.200 38.487 0.110 0.000 0.964 170 N HN 0.168 nan 8.380 nan 0.000 0.444 171 V N 1.433 121.439 119.914 0.153 0.000 2.343 171 V HA -0.128 3.992 4.120 0.000 0.000 0.247 171 V C 1.093 177.293 176.094 0.177 0.000 1.051 171 V CA 0.849 63.233 62.300 0.141 0.000 1.036 171 V CB -0.305 31.604 31.823 0.143 0.000 0.654 171 V HN 0.206 nan 8.190 nan 0.000 0.451 172 I N 2.219 122.938 120.570 0.248 0.000 2.581 172 I HA 0.024 4.194 4.170 0.000 0.000 0.285 172 I C 0.543 176.737 176.117 0.128 0.000 1.129 172 I CA 0.210 61.646 61.300 0.226 0.000 1.397 172 I CB -0.183 37.955 38.000 0.230 0.000 1.399 172 I HN 0.163 nan 8.210 nan 0.000 0.537 173 N N 7.067 125.784 118.700 0.028 0.000 2.482 173 N HA 0.112 4.852 4.740 0.000 0.000 0.242 173 N C 0.938 176.463 175.510 0.025 0.000 1.100 173 N CA -0.032 53.028 53.050 0.017 0.000 0.946 173 N CB 0.478 38.940 38.487 -0.041 0.000 1.227 173 N HN 0.444 nan 8.380 nan 0.000 0.508 174 R N 1.946 122.478 120.500 0.054 0.000 2.148 174 R HA -0.098 4.242 4.340 0.000 0.000 0.227 174 R C 0.806 177.150 176.300 0.073 0.000 1.103 174 R CA 1.283 57.404 56.100 0.035 0.000 0.983 174 R CB 0.243 30.558 30.300 0.025 0.000 0.874 174 R HN 0.483 nan 8.270 nan 0.000 0.451 175 E N 0.506 120.771 120.200 0.109 0.000 2.072 175 E HA -0.081 4.269 4.350 0.000 0.000 0.190 175 E C 1.676 178.439 176.600 0.273 0.000 0.982 175 E CA 0.886 57.420 56.400 0.223 0.000 0.803 175 E CB 0.114 29.942 29.700 0.214 0.000 0.755 175 E HN 0.014 nan 8.360 nan 0.000 0.453 176 K N 0.289 120.767 120.400 0.131 0.000 2.217 176 K HA -0.015 4.305 4.320 0.000 0.000 0.202 176 K C 2.006 178.674 176.600 0.113 0.000 1.051 176 K CA 0.348 56.684 56.287 0.082 0.000 0.952 176 K CB -0.292 32.203 32.500 -0.009 0.000 0.736 176 K HN 0.131 nan 8.250 nan 0.000 0.453 177 L N 1.074 122.356 121.223 0.099 0.000 2.056 177 L HA -0.106 4.234 4.340 0.000 0.000 0.207 177 L C 2.056 179.039 176.870 0.189 0.000 1.078 177 L CA 1.280 56.194 54.840 0.123 0.000 0.749 177 L CB -0.654 41.442 42.059 0.062 0.000 0.901 177 L HN 0.035 nan 8.230 nan 0.000 0.433 178 L N -0.597 120.752 121.223 0.210 0.000 2.046 178 L HA -0.208 4.132 4.340 0.000 0.000 0.208 178 L C 2.492 179.624 176.870 0.437 0.000 1.077 178 L CA 1.743 56.741 54.840 0.264 0.000 0.747 178 L CB -0.813 41.410 42.059 0.274 0.000 0.896 178 L HN 0.439 nan 8.230 nan 0.000 0.432 179 Q N -1.918 118.151 119.800 0.448 0.000 2.030 179 Q HA -0.284 4.056 4.340 0.000 0.000 0.204 179 Q C 2.203 178.329 176.000 0.210 0.000 0.986 179 Q CA 2.188 58.120 55.803 0.216 0.000 0.843 179 Q CB -0.438 28.299 28.738 -0.001 0.000 0.904 179 Q HN 0.588 nan 8.270 nan 0.000 0.420 180 Y N 1.245 121.590 120.300 0.074 0.000 2.081 180 Y HA -0.283 4.267 4.550 0.000 0.000 0.280 180 Y C 1.848 177.794 175.900 0.077 0.000 1.163 180 Y CA 1.627 59.755 58.100 0.047 0.000 1.135 180 Y CB -0.463 38.007 38.460 0.017 0.000 0.970 180 Y HN 0.068 nan 8.280 nan 0.000 0.498 181 L N -1.540 119.670 121.223 -0.021 0.000 2.042 181 L HA -0.307 4.033 4.340 0.000 0.000 0.210 181 L C 2.311 179.167 176.870 -0.023 0.000 1.076 181 L CA 1.831 56.614 54.840 -0.094 0.000 0.749 181 L CB -0.986 41.002 42.059 -0.118 0.000 0.893 181 L HN 0.262 nan 8.230 nan 0.000 0.432 182 Y N 0.196 120.493 120.300 -0.005 0.000 2.274 182 Y HA -0.271 4.279 4.550 0.000 0.000 0.290 182 Y C 3.035 178.866 175.900 -0.116 0.000 1.145 182 Y CA 1.350 59.421 58.100 -0.050 0.000 1.203 182 Y CB -0.089 38.369 38.460 -0.003 0.000 0.984 182 Y HN 0.308 nan 8.280 nan 0.000 0.533 183 S N -0.427 115.290 115.700 0.028 0.000 2.481 183 S HA -0.087 4.383 4.470 0.000 0.000 0.231 183 S C 1.388 175.907 174.600 -0.136 0.000 0.996 183 S CA 0.894 59.057 58.200 -0.063 0.000 0.942 183 S CB -0.534 62.635 63.200 -0.051 0.000 0.768 183 S HN 0.504 nan 8.310 nan 0.000 0.520 184 L N -0.493 120.629 121.223 -0.167 0.000 2.609 184 L HA 0.390 4.730 4.340 0.000 0.000 0.230 184 L C 0.814 177.555 176.870 -0.216 0.000 1.087 184 L CA -0.360 54.386 54.840 -0.156 0.000 0.874 184 L CB -0.173 41.801 42.059 -0.142 0.000 1.114 184 L HN 0.068 nan 8.230 nan 0.000 0.488 185 K N 1.819 122.010 120.400 -0.348 0.000 2.489 185 K HA 0.049 4.369 4.320 0.000 0.000 0.278 185 K C -0.216 176.096 176.600 -0.481 0.000 1.000 185 K CA 0.589 56.409 56.287 -0.778 0.000 1.012 185 K CB 0.407 32.524 32.500 -0.638 0.000 0.903 185 K HN -0.073 nan 8.250 nan 0.000 0.485 186 Q N 4.368 123.847 119.800 -0.534 0.000 2.297 186 Q HA 0.300 4.640 4.340 0.000 0.000 0.268 186 Q C -1.821 174.018 176.000 -0.268 0.000 1.045 186 Q CA -2.200 53.402 55.803 -0.335 0.000 0.861 186 Q CB 0.979 29.522 28.738 -0.326 0.000 1.344 186 Q HN 0.416 nan 8.270 nan 0.000 0.452 187 P HA -0.157 nan 4.420 nan 0.000 0.218 187 P C 0.431 177.679 177.300 -0.088 0.000 1.148 187 P CA 1.357 64.390 63.100 -0.112 0.000 0.822 187 P CB 0.266 31.920 31.700 -0.077 0.000 0.784 188 D N -2.052 118.293 120.400 -0.092 0.000 2.349 188 D HA 0.057 4.697 4.640 0.000 0.000 0.224 188 D C 1.466 177.763 176.300 -0.004 0.000 1.029 188 D CA 0.855 54.850 54.000 -0.008 0.000 0.879 188 D CB -0.744 40.099 40.800 0.072 0.000 0.906 188 D HN 0.250 nan 8.370 nan 0.000 0.528 189 G N -0.197 108.514 108.800 -0.148 0.000 2.238 189 G HA2 -0.259 3.701 3.960 0.000 0.000 0.217 189 G HA3 -0.259 3.701 3.960 0.000 0.000 0.217 189 G C 0.505 175.211 174.900 -0.324 0.000 0.996 189 G CA 0.273 45.300 45.100 -0.122 0.000 0.632 189 G HN 0.801 nan 8.290 nan 0.000 0.503 190 S N -0.176 115.120 115.700 -0.674 0.000 2.634 190 S HA 0.801 5.271 4.470 0.000 0.000 0.261 190 S C -0.287 173.937 174.600 -0.627 0.000 1.271 190 S CA -0.258 57.378 58.200 -0.940 0.000 0.985 190 S CB 1.338 63.585 63.200 -1.589 0.000 0.968 190 S HN 0.577 nan 8.310 nan 0.000 0.568 191 F N -0.619 119.057 119.950 -0.456 0.000 2.576 191 F HA 0.541 5.068 4.527 0.000 0.000 0.313 191 F C -0.049 175.587 175.800 -0.272 0.000 1.078 191 F CA -1.024 56.803 58.000 -0.288 0.000 0.921 191 F CB 1.531 40.415 39.000 -0.192 0.000 1.232 191 F HN 0.447 nan 8.300 nan 0.000 0.459 192 L N 3.043 124.228 121.223 -0.064 0.000 2.439 192 L HA 0.221 4.561 4.340 0.000 0.000 0.261 192 L C 1.197 178.008 176.870 -0.098 0.000 1.153 192 L CA -0.751 54.012 54.840 -0.127 0.000 0.808 192 L CB 0.648 42.597 42.059 -0.183 0.000 1.126 192 L HN 0.659 nan 8.230 nan 0.000 0.460 193 M N 0.261 119.777 119.600 -0.140 0.000 2.319 193 M HA 0.004 4.484 4.480 0.000 0.000 0.265 193 M C 0.251 176.434 176.300 -0.195 0.000 1.068 193 M CA 1.173 56.376 55.300 -0.163 0.000 1.118 193 M CB -1.012 31.491 32.600 -0.162 0.000 1.395 193 M HN 0.777 nan 8.290 nan 0.000 0.435 194 H N -4.932 114.026 119.070 -0.187 0.000 2.987 194 H HA 0.446 5.002 4.556 0.000 0.000 0.316 194 H C -0.992 174.332 175.328 -0.007 0.000 1.380 194 H CA -1.192 54.832 56.048 -0.040 0.000 1.160 194 H CB 0.403 30.169 29.762 0.008 0.000 1.865 194 H HN -0.251 nan 8.280 nan 0.000 0.521 195 V N 1.829 121.793 119.914 0.084 0.000 2.557 195 V HA 0.257 4.377 4.120 0.000 0.000 0.301 195 V C 1.642 177.717 176.094 -0.031 0.000 1.026 195 V CA 1.791 64.092 62.300 0.001 0.000 1.137 195 V CB 0.163 32.021 31.823 0.058 0.000 0.917 195 V HN 1.444 nan 8.190 nan 0.000 0.484 196 G N 3.454 112.186 108.800 -0.114 0.000 2.155 196 G HA2 -0.155 3.805 3.960 0.000 0.000 0.257 196 G HA3 -0.155 3.805 3.960 0.000 0.000 0.257 196 G C 0.475 175.250 174.900 -0.209 0.000 0.983 196 G CA 0.196 45.247 45.100 -0.081 0.000 0.676 196 G HN 1.346 nan 8.290 nan 0.000 0.528 197 G N -0.686 107.768 108.800 -0.576 0.000 2.642 197 G HA2 0.692 4.652 3.960 0.000 0.000 0.291 197 G HA3 0.692 4.652 3.960 0.000 0.000 0.291 197 G C 0.167 174.889 174.900 -0.296 0.000 1.345 197 G CA 0.203 44.854 45.100 -0.749 0.000 1.043 197 G HN 0.644 nan 8.290 nan 0.000 0.528 198 E N -0.997 119.109 120.200 -0.157 0.000 2.314 198 E HA 0.447 4.797 4.350 0.000 0.000 0.262 198 E C -1.019 175.547 176.600 -0.055 0.000 1.093 198 E CA -0.501 55.869 56.400 -0.050 0.000 0.908 198 E CB 1.560 31.283 29.700 0.039 0.000 1.091 198 E HN 0.112 nan 8.360 nan 0.000 0.425 199 V N 1.593 121.489 119.914 -0.030 0.000 2.604 199 V HA 0.440 4.560 4.120 0.000 0.000 0.305 199 V C -0.776 175.342 176.094 0.040 0.000 1.043 199 V CA -0.395 61.879 62.300 -0.043 0.000 0.888 199 V CB 1.318 33.081 31.823 -0.100 0.000 0.995 199 V HN 0.958 nan 8.190 nan 0.000 0.429 200 D N 1.970 122.416 120.400 0.077 0.000 2.710 200 D HA 0.231 4.871 4.640 0.000 0.000 0.276 200 D C 0.315 176.786 176.300 0.285 0.000 1.267 200 D CA -0.587 53.519 54.000 0.177 0.000 0.772 200 D CB 1.394 42.206 40.800 0.020 0.000 1.299 200 D HN 0.124 nan 8.370 nan 0.000 0.421 201 V N 0.079 120.214 119.914 0.368 0.000 2.660 201 V HA -0.233 3.887 4.120 0.000 0.000 0.257 201 V C 2.287 178.577 176.094 0.326 0.000 1.088 201 V CA 1.853 64.408 62.300 0.424 0.000 1.106 201 V CB -1.118 30.891 31.823 0.310 0.000 0.686 201 V HN 0.525 nan 8.190 nan 0.000 0.481 202 R N 1.347 122.049 120.500 0.336 0.000 2.105 202 R HA -0.159 4.181 4.340 0.000 0.000 0.239 202 R C 2.696 179.122 176.300 0.210 0.000 1.135 202 R CA 1.743 58.002 56.100 0.266 0.000 0.967 202 R CB -0.585 29.867 30.300 0.254 0.000 0.861 202 R HN 0.756 nan 8.270 nan 0.000 0.442 203 S N 0.616 116.410 115.700 0.157 0.000 2.383 203 S HA -0.085 4.385 4.470 0.000 0.000 0.227 203 S C 2.243 176.817 174.600 -0.044 0.000 1.026 203 S CA 0.911 59.146 58.200 0.059 0.000 0.981 203 S CB -0.155 63.073 63.200 0.047 0.000 0.818 203 S HN 0.360 nan 8.310 nan 0.000 0.472 204 A N 0.812 123.662 122.820 0.050 0.000 1.902 204 A HA -0.021 4.299 4.320 0.000 0.000 0.217 204 A C 2.106 179.670 177.584 -0.035 0.000 1.181 204 A CA 1.567 53.621 52.037 0.030 0.000 0.623 204 A CB -1.229 17.897 19.000 0.209 0.000 0.818 204 A HN 0.711 nan 8.150 nan 0.000 0.443 205 Y N -0.020 120.240 120.300 -0.067 0.000 2.220 205 Y HA -0.206 4.344 4.550 0.000 0.000 0.291 205 Y C 2.522 178.374 175.900 -0.080 0.000 1.129 205 Y CA 1.288 59.333 58.100 -0.092 0.000 1.161 205 Y CB -0.836 37.589 38.460 -0.060 0.000 0.997 205 Y HN 0.355 nan 8.280 nan 0.000 0.522 206 C N 0.610 119.785 119.300 -0.209 0.000 2.413 206 C HA -0.152 4.308 4.460 0.000 0.000 0.276 206 C C 3.068 177.973 174.990 -0.141 0.000 1.248 206 C CA 1.332 60.223 59.018 -0.211 0.000 1.742 206 C CB -1.770 25.966 27.740 -0.006 0.000 2.017 206 C HN 0.744 nan 8.230 nan 0.000 0.481 207 A N 0.314 123.010 122.820 -0.206 0.000 1.873 207 A HA 0.141 4.461 4.320 0.000 0.000 0.215 207 A C 2.359 179.921 177.584 -0.036 0.000 1.186 207 A CA 1.900 53.809 52.037 -0.214 0.000 0.616 207 A CB -0.938 17.654 19.000 -0.680 0.000 0.823 207 A HN 0.559 nan 8.150 nan 0.000 0.442 208 A N -0.851 121.845 122.820 -0.206 0.000 1.969 208 A HA -0.055 4.265 4.320 0.000 0.000 0.218 208 A C 2.441 179.938 177.584 -0.145 0.000 1.169 208 A CA 2.078 53.889 52.037 -0.376 0.000 0.635 208 A CB -0.772 17.864 19.000 -0.605 0.000 0.810 208 A HN 0.554 nan 8.150 nan 0.000 0.445 209 S N -0.242 115.366 115.700 -0.154 0.000 2.345 209 S HA -0.137 4.333 4.470 0.000 0.000 0.220 209 S C 2.075 176.722 174.600 0.078 0.000 1.031 209 S CA 2.013 60.236 58.200 0.039 0.000 0.996 209 S CB -0.758 62.399 63.200 -0.072 0.000 0.882 209 S HN 0.951 nan 8.310 nan 0.000 0.445 210 V N 0.442 120.356 119.914 0.001 0.000 2.515 210 V HA 0.182 4.302 4.120 0.000 0.000 0.250 210 V C 2.498 178.556 176.094 -0.059 0.000 1.058 210 V CA 1.565 63.837 62.300 -0.047 0.000 1.064 210 V CB -1.577 30.235 31.823 -0.018 0.000 0.675 210 V HN 0.505 nan 8.190 nan 0.000 0.461 211 A N 1.709 124.536 122.820 0.012 0.000 1.897 211 A HA -0.091 4.229 4.320 0.000 0.000 0.215 211 A C 2.569 180.163 177.584 0.016 0.000 1.181 211 A CA 2.270 54.329 52.037 0.036 0.000 0.620 211 A CB -0.911 18.205 19.000 0.195 0.000 0.821 211 A HN 0.868 nan 8.150 nan 0.000 0.443 212 S N 0.182 115.908 115.700 0.043 0.000 2.357 212 S HA -0.067 4.403 4.470 0.000 0.000 0.221 212 S C 1.917 176.497 174.600 -0.033 0.000 1.031 212 S CA 1.312 59.538 58.200 0.042 0.000 0.982 212 S CB -0.841 62.424 63.200 0.108 0.000 0.853 212 S HN 0.394 nan 8.310 nan 0.000 0.458 213 L N 1.996 123.157 121.223 -0.103 0.000 2.042 213 L HA -0.099 4.241 4.340 0.000 0.000 0.210 213 L C 2.993 179.704 176.870 -0.264 0.000 1.076 213 L CA 1.735 56.443 54.840 -0.220 0.000 0.749 213 L CB -1.023 40.850 42.059 -0.310 0.000 0.893 213 L HN 0.650 nan 8.230 nan 0.000 0.432 214 T N -4.444 109.847 114.554 -0.438 0.000 3.107 214 T HA 0.031 4.381 4.350 0.000 0.000 0.249 214 T C 0.883 175.379 174.700 -0.340 0.000 1.096 214 T CA 0.234 61.830 62.100 -0.840 0.000 1.012 214 T CB -0.237 68.133 68.868 -0.830 0.000 0.977 214 T HN 0.339 nan 8.240 nan 0.000 0.527 215 N N 1.179 119.800 118.700 -0.132 0.000 2.727 215 N HA -0.163 4.577 4.740 0.000 0.000 0.251 215 N C 0.201 175.681 175.510 -0.050 0.000 1.040 215 N CA 0.891 53.918 53.050 -0.038 0.000 0.712 215 N CB -1.924 36.575 38.487 0.021 0.000 0.912 215 N HN 0.916 nan 8.380 nan 0.000 0.545 216 I N -2.689 117.846 120.570 -0.058 0.000 3.947 216 I HA 0.382 4.552 4.170 0.000 0.000 0.327 216 I C 0.059 176.142 176.117 -0.056 0.000 1.519 216 I CA -0.625 60.634 61.300 -0.068 0.000 1.122 216 I CB 0.130 38.084 38.000 -0.076 0.000 1.146 216 I HN 0.021 nan 8.210 nan 0.000 0.442 217 I N 3.868 124.437 120.570 -0.002 0.000 2.436 217 I HA 0.100 4.270 4.170 0.000 0.000 0.289 217 I C 0.978 177.097 176.117 0.003 0.000 1.083 217 I CA 0.156 61.477 61.300 0.035 0.000 1.372 217 I CB 0.820 38.914 38.000 0.157 0.000 1.408 217 I HN 0.364 nan 8.210 nan 0.000 0.516 218 T N 3.304 117.836 114.554 -0.036 0.000 2.881 218 T HA 0.324 4.674 4.350 0.000 0.000 0.278 218 T C -1.737 172.984 174.700 0.035 0.000 0.982 218 T CA -1.777 60.326 62.100 0.005 0.000 0.989 218 T CB 1.351 70.255 68.868 0.061 0.000 1.058 218 T HN 0.284 nan 8.240 nan 0.000 0.529 219 P HA -0.045 nan 4.420 nan 0.000 0.219 219 P C 0.946 178.287 177.300 0.069 0.000 1.146 219 P CA 0.987 64.122 63.100 0.059 0.000 0.808 219 P CB 0.041 31.769 31.700 0.047 0.000 0.779 220 D N -1.813 118.632 120.400 0.075 0.000 2.407 220 D HA 0.006 4.646 4.640 0.000 0.000 0.208 220 D C 1.710 178.023 176.300 0.022 0.000 1.083 220 D CA -0.157 53.887 54.000 0.074 0.000 0.844 220 D CB -0.718 40.141 40.800 0.100 0.000 0.967 220 D HN 0.017 nan 8.370 nan 0.000 0.506 221 L N 0.398 121.560 121.223 -0.102 0.000 2.021 221 L HA -0.079 4.261 4.340 0.000 0.000 0.215 221 L C 1.024 177.607 176.870 -0.478 0.000 1.074 221 L CA 1.775 56.324 54.840 -0.485 0.000 0.760 221 L CB -0.731 40.871 42.059 -0.761 0.000 0.889 221 L HN -0.043 nan 8.230 nan 0.000 0.433 222 F N -0.714 119.273 119.950 0.063 0.000 2.837 222 F HA 0.292 4.819 4.527 0.000 0.000 0.298 222 F C 0.651 176.494 175.800 0.071 0.000 1.161 222 F CA -0.756 57.315 58.000 0.118 0.000 1.353 222 F CB -0.132 38.939 39.000 0.118 0.000 0.951 222 F HN -0.029 nan 8.300 nan 0.000 0.508 223 E N 0.580 120.857 120.200 0.128 0.000 2.366 223 E HA 0.346 4.696 4.350 0.000 0.000 0.266 223 E C 1.146 177.794 176.600 0.079 0.000 1.015 223 E CA 0.785 57.240 56.400 0.092 0.000 0.906 223 E CB 0.587 30.315 29.700 0.047 0.000 0.979 223 E HN 0.498 nan 8.360 nan 0.000 0.443 224 G N 3.235 112.096 108.800 0.101 0.000 2.205 224 G HA2 -0.360 3.600 3.960 0.000 0.000 0.261 224 G HA3 -0.360 3.600 3.960 0.000 0.000 0.261 224 G C 1.267 176.268 174.900 0.169 0.000 0.980 224 G CA 0.765 45.928 45.100 0.106 0.000 0.632 224 G HN 0.591 nan 8.290 nan 0.000 0.533 225 T N 0.903 115.584 114.554 0.211 0.000 2.777 225 T HA 0.174 4.524 4.350 0.000 0.000 0.266 225 T C 2.776 177.642 174.700 0.276 0.000 1.040 225 T CA 2.329 64.607 62.100 0.297 0.000 1.141 225 T CB -0.403 68.729 68.868 0.439 0.000 0.868 225 T HN 1.179 nan 8.240 nan 0.000 0.444 226 A N 1.470 124.400 122.820 0.184 0.000 1.933 226 A HA -0.111 4.209 4.320 0.000 0.000 0.218 226 A C 2.203 179.853 177.584 0.109 0.000 1.175 226 A CA 1.583 53.692 52.037 0.120 0.000 0.628 226 A CB -0.471 18.573 19.000 0.074 0.000 0.814 226 A HN 0.419 nan 8.150 nan 0.000 0.444 227 E N -1.472 118.803 120.200 0.124 0.000 2.106 227 E HA -0.157 4.193 4.350 0.000 0.000 0.192 227 E C 1.553 178.212 176.600 0.097 0.000 0.984 227 E CA 1.141 57.594 56.400 0.089 0.000 0.806 227 E CB -0.331 29.421 29.700 0.086 0.000 0.750 227 E HN 0.841 nan 8.360 nan 0.000 0.458 228 W N 0.849 122.157 121.300 0.014 0.000 2.379 228 W HA -0.083 4.577 4.660 0.000 0.000 0.307 228 W C 1.663 178.181 176.519 -0.002 0.000 1.200 228 W CA 1.375 58.724 57.345 0.007 0.000 1.297 228 W CB -0.153 29.319 29.460 0.020 0.000 1.140 228 W HN -0.028 nan 8.180 nan 0.000 0.507 229 I N 0.804 121.471 120.570 0.162 0.000 2.226 229 I HA -0.316 3.854 4.170 0.000 0.000 0.245 229 I C 2.598 178.602 176.117 -0.188 0.000 1.100 229 I CA 1.462 62.748 61.300 -0.024 0.000 1.374 229 I CB -1.088 36.987 38.000 0.126 0.000 1.057 229 I HN 0.087 nan 8.210 nan 0.000 0.413 230 A N 0.795 123.547 122.820 -0.113 0.000 1.978 230 A HA -0.205 4.115 4.320 0.000 0.000 0.220 230 A C 2.320 179.788 177.584 -0.194 0.000 1.170 230 A CA 1.471 53.433 52.037 -0.125 0.000 0.636 230 A CB -0.586 18.375 19.000 -0.066 0.000 0.810 230 A HN 0.362 nan 8.150 nan 0.000 0.448 231 R N -1.325 119.008 120.500 -0.279 0.000 2.280 231 R HA -0.033 4.307 4.340 0.000 0.000 0.207 231 R C 1.512 177.581 176.300 -0.386 0.000 1.043 231 R CA 0.971 56.881 56.100 -0.316 0.000 1.006 231 R CB -0.491 29.589 30.300 -0.367 0.000 0.885 231 R HN 0.602 nan 8.270 nan 0.000 0.467 232 C N 0.243 119.262 119.300 -0.468 0.000 2.539 232 C HA 0.032 4.492 4.460 0.000 0.000 0.268 232 C C 1.216 176.017 174.990 -0.314 0.000 1.395 232 C CA -0.351 58.407 59.018 -0.433 0.000 1.757 232 C CB -0.734 26.708 27.740 -0.497 0.000 1.851 232 C HN 0.438 nan 8.230 nan 0.000 0.545 233 Q N 2.746 122.384 119.800 -0.270 0.000 2.296 233 Q HA 0.172 4.512 4.340 0.000 0.000 0.262 233 Q C 0.050 175.913 176.000 -0.229 0.000 0.981 233 Q CA 0.133 55.780 55.803 -0.260 0.000 0.905 233 Q CB 0.547 29.163 28.738 -0.204 0.000 1.186 233 Q HN 0.695 nan 8.270 nan 0.000 0.399 234 N N 3.501 122.028 118.700 -0.289 0.000 2.813 234 N HA 0.128 4.868 4.740 0.000 0.000 0.320 234 N C 0.887 176.263 175.510 -0.223 0.000 1.315 234 N CA -0.631 52.286 53.050 -0.222 0.000 0.871 234 N CB -0.334 37.984 38.487 -0.281 0.000 1.241 234 N HN 0.833 nan 8.380 nan 0.000 0.602 235 W N -0.484 120.764 121.300 -0.087 0.000 2.359 235 W HA -0.095 4.565 4.660 0.000 0.000 0.275 235 W C 0.399 176.901 176.519 -0.029 0.000 1.217 235 W CA 0.966 58.282 57.345 -0.048 0.000 1.196 235 W CB -0.934 28.508 29.460 -0.029 0.000 1.129 235 W HN 0.588 nan 8.180 nan 0.000 0.566 236 E N 0.119 119.840 120.200 -0.799 0.000 2.299 236 E HA 0.143 4.493 4.350 0.000 0.000 0.193 236 E C 2.145 178.578 176.600 -0.278 0.000 0.998 236 E CA 0.885 56.904 56.400 -0.635 0.000 0.851 236 E CB -0.318 28.839 29.700 -0.905 0.000 0.795 236 E HN 0.416 nan 8.360 nan 0.000 0.492 237 G N 0.807 109.400 108.800 -0.345 0.000 2.284 237 G HA2 -0.222 3.738 3.960 0.000 0.000 0.216 237 G HA3 -0.222 3.738 3.960 0.000 0.000 0.216 237 G C 0.607 175.252 174.900 -0.425 0.000 1.009 237 G CA -0.234 44.745 45.100 -0.203 0.000 0.625 237 G HN 0.521 nan 8.290 nan 0.000 0.501 238 G N -0.362 107.812 108.800 -1.044 0.000 2.535 238 G HA2 0.618 4.578 3.960 0.000 0.000 0.282 238 G HA3 0.618 4.578 3.960 0.000 0.000 0.282 238 G C -0.239 174.139 174.900 -0.870 0.000 1.350 238 G CA -0.409 43.758 45.100 -1.554 0.000 1.039 238 G HN 0.699 nan 8.290 nan 0.000 0.509 239 I N -0.049 120.083 120.570 -0.730 0.000 2.509 239 I HA 0.468 4.638 4.170 0.000 0.000 0.293 239 I C 0.717 176.667 176.117 -0.278 0.000 1.020 239 I CA -0.730 60.329 61.300 -0.401 0.000 1.088 239 I CB 2.221 40.068 38.000 -0.256 0.000 1.267 239 I HN 0.606 nan 8.210 nan 0.000 0.430 240 G N 2.533 111.179 108.800 -0.257 0.000 2.511 240 G HA2 0.435 4.395 3.960 0.000 0.000 0.316 240 G HA3 0.435 4.395 3.960 0.000 0.000 0.316 240 G C 0.895 175.582 174.900 -0.355 0.000 1.210 240 G CA -0.158 44.811 45.100 -0.219 0.000 0.969 240 G HN 0.788 nan 8.290 nan 0.000 0.492 241 G N -1.346 107.037 108.800 -0.696 0.000 2.442 241 G HA2 0.198 4.158 3.960 0.000 0.000 0.219 241 G HA3 0.198 4.158 3.960 0.000 0.000 0.219 241 G C 0.679 175.331 174.900 -0.414 0.000 1.141 241 G CA 1.966 46.381 45.100 -1.141 0.000 0.763 241 G HN 1.546 nan 8.290 nan 0.000 0.554 242 V N -4.850 114.890 119.914 -0.289 0.000 3.188 242 V HA 0.666 4.786 4.120 0.000 0.000 0.305 242 V C -3.041 172.903 176.094 -0.250 0.000 1.232 242 V CA -2.972 59.235 62.300 -0.155 0.000 1.043 242 V CB 1.778 33.613 31.823 0.021 0.000 1.068 242 V HN -0.118 nan 8.190 nan 0.000 0.439 243 P HA 0.373 nan 4.420 nan 0.000 0.262 243 P C 0.965 178.185 177.300 -0.134 0.000 1.182 243 P CA 2.111 65.057 63.100 -0.258 0.000 0.761 243 P CB 0.672 32.211 31.700 -0.269 0.000 0.795 244 G N 1.854 110.591 108.800 -0.106 0.000 2.254 244 G HA2 -0.198 3.762 3.960 0.000 0.000 0.225 244 G HA3 -0.198 3.762 3.960 0.000 0.000 0.225 244 G C 0.223 175.112 174.900 -0.020 0.000 1.003 244 G CA -0.460 44.617 45.100 -0.038 0.000 0.622 244 G HN 0.402 nan 8.290 nan 0.000 0.507 245 M N 1.460 121.015 119.600 -0.075 0.000 2.241 245 M HA 0.338 4.818 4.480 0.000 0.000 0.335 245 M C 0.756 177.018 176.300 -0.064 0.000 1.122 245 M CA -0.451 54.810 55.300 -0.066 0.000 1.164 245 M CB 0.801 33.324 32.600 -0.128 0.000 1.459 245 M HN 0.414 nan 8.290 nan 0.000 0.461 246 E N 1.304 121.500 120.200 -0.007 0.000 2.442 246 E HA 0.219 4.569 4.350 0.000 0.000 0.262 246 E C -0.577 175.977 176.600 -0.076 0.000 1.004 246 E CA -0.374 56.020 56.400 -0.009 0.000 0.928 246 E CB 0.741 30.490 29.700 0.082 0.000 0.937 246 E HN 0.701 nan 8.360 nan 0.000 0.446 247 A N 5.118 127.800 122.820 -0.229 0.000 2.520 247 A HA 0.030 4.350 4.320 0.000 0.000 0.245 247 A C -0.397 177.193 177.584 0.010 0.000 1.072 247 A CA 0.227 52.033 52.037 -0.385 0.000 0.761 247 A CB 0.205 18.628 19.000 -0.962 0.000 1.004 247 A HN 0.711 nan 8.150 nan 0.000 0.499 248 H N 1.788 120.821 119.070 -0.060 0.000 2.771 248 H HA 0.394 4.950 4.556 0.000 0.000 0.361 248 H C 1.156 176.619 175.328 0.224 0.000 1.108 248 H CA 0.142 56.294 56.048 0.174 0.000 1.201 248 H CB 1.821 31.743 29.762 0.266 0.000 1.681 248 H HN 0.651 nan 8.280 nan 0.000 0.534 249 G N 2.421 111.194 108.800 -0.046 0.000 2.440 249 G HA2 -0.243 3.717 3.960 0.000 0.000 0.218 249 G HA3 -0.243 3.717 3.960 0.000 0.000 0.218 249 G C 1.475 176.483 174.900 0.180 0.000 1.154 249 G CA 0.790 45.971 45.100 0.135 0.000 0.767 249 G HN 0.667 nan 8.290 nan 0.000 0.552 250 G N -0.206 108.644 108.800 0.084 0.000 2.402 250 G HA2 -0.133 3.827 3.960 0.000 0.000 0.216 250 G HA3 -0.133 3.827 3.960 0.000 0.000 0.216 250 G C 1.605 176.313 174.900 -0.321 0.000 1.162 250 G CA 0.764 45.611 45.100 -0.423 0.000 0.777 250 G HN 0.496 nan 8.290 nan 0.000 0.539 251 Y N 1.119 121.489 120.300 0.117 0.000 2.293 251 Y HA -0.082 4.468 4.550 0.000 0.000 0.291 251 Y C 3.311 179.192 175.900 -0.031 0.000 1.137 251 Y CA 1.357 59.454 58.100 -0.004 0.000 1.202 251 Y CB -0.263 38.179 38.460 -0.030 0.000 0.990 251 Y HN 0.116 nan 8.280 nan 0.000 0.537 252 T N 0.371 114.998 114.554 0.122 0.000 2.821 252 T HA -0.217 4.133 4.350 0.000 0.000 0.267 252 T C 1.560 176.261 174.700 0.002 0.000 1.046 252 T CA 1.403 63.510 62.100 0.010 0.000 1.139 252 T CB -0.635 68.226 68.868 -0.012 0.000 0.871 252 T HN 0.356 nan 8.240 nan 0.000 0.454 253 F N 1.566 121.489 119.950 -0.044 0.000 2.102 253 F HA -0.151 4.376 4.527 0.000 0.000 0.298 253 F C 2.403 178.083 175.800 -0.199 0.000 1.105 253 F CA 0.716 58.668 58.000 -0.080 0.000 1.239 253 F CB -0.802 38.235 39.000 0.062 0.000 0.991 253 F HN 0.143 nan 8.300 nan 0.000 0.474 254 C N 0.945 120.092 119.300 -0.256 0.000 2.413 254 C HA -0.110 4.350 4.460 0.000 0.000 0.276 254 C C 3.092 177.956 174.990 -0.209 0.000 1.248 254 C CA 1.234 60.028 59.018 -0.373 0.000 1.742 254 C CB -1.981 25.728 27.740 -0.052 0.000 2.017 254 C HN 0.747 nan 8.230 nan 0.000 0.481 255 G N 0.101 108.836 108.800 -0.108 0.000 2.434 255 G HA2 -0.176 3.784 3.960 0.000 0.000 0.214 255 G HA3 -0.176 3.784 3.960 0.000 0.000 0.214 255 G C 1.500 176.322 174.900 -0.130 0.000 1.202 255 G CA 0.940 46.003 45.100 -0.061 0.000 0.788 255 G HN 0.437 nan 8.290 nan 0.000 0.539 256 L N 1.398 122.502 121.223 -0.200 0.000 2.046 256 L HA 0.177 4.517 4.340 0.000 0.000 0.208 256 L C 3.065 179.774 176.870 -0.268 0.000 1.077 256 L CA 2.165 56.882 54.840 -0.204 0.000 0.747 256 L CB -0.717 41.232 42.059 -0.183 0.000 0.896 256 L HN 0.242 nan 8.230 nan 0.000 0.432 257 A N -0.653 121.869 122.820 -0.497 0.000 1.972 257 A HA -0.080 4.240 4.320 0.000 0.000 0.219 257 A C 2.423 179.913 177.584 -0.156 0.000 1.169 257 A CA 1.677 53.440 52.037 -0.457 0.000 0.635 257 A CB -1.044 17.384 19.000 -0.953 0.000 0.810 257 A HN 0.566 nan 8.150 nan 0.000 0.446 258 A N -0.269 122.502 122.820 -0.082 0.000 1.898 258 A HA 0.020 4.340 4.320 0.000 0.000 0.216 258 A C 2.137 179.664 177.584 -0.095 0.000 1.181 258 A CA 1.350 53.369 52.037 -0.029 0.000 0.620 258 A CB -0.543 18.469 19.000 0.019 0.000 0.819 258 A HN 0.459 nan 8.150 nan 0.000 0.442 259 L N -0.562 120.613 121.223 -0.079 0.000 2.083 259 L HA -0.151 4.189 4.340 0.000 0.000 0.209 259 L C 2.508 179.344 176.870 -0.058 0.000 1.083 259 L CA 0.899 55.703 54.840 -0.060 0.000 0.752 259 L CB -0.504 41.526 42.059 -0.048 0.000 0.899 259 L HN 0.242 nan 8.230 nan 0.000 0.433 260 V N 0.232 120.105 119.914 -0.068 0.000 2.343 260 V HA -0.299 3.821 4.120 0.000 0.000 0.247 260 V C 2.313 178.388 176.094 -0.031 0.000 1.051 260 V CA 1.817 64.093 62.300 -0.040 0.000 1.036 260 V CB -0.256 31.540 31.823 -0.045 0.000 0.654 260 V HN 0.319 nan 8.190 nan 0.000 0.451 261 I N -0.422 120.107 120.570 -0.069 0.000 2.226 261 I HA -0.246 3.924 4.170 0.000 0.000 0.245 261 I C 2.036 178.112 176.117 -0.069 0.000 1.100 261 I CA 1.608 62.867 61.300 -0.068 0.000 1.374 261 I CB -0.217 37.704 38.000 -0.132 0.000 1.057 261 I HN 0.259 nan 8.210 nan 0.000 0.413 262 L N 0.137 121.299 121.223 -0.101 0.000 2.554 262 L HA -0.003 4.337 4.340 0.000 0.000 0.226 262 L C 0.596 177.457 176.870 -0.015 0.000 1.137 262 L CA 0.293 55.087 54.840 -0.077 0.000 0.863 262 L CB -0.363 41.635 42.059 -0.101 0.000 0.985 262 L HN 0.220 nan 8.230 nan 0.000 0.451 263 K N 0.124 120.519 120.400 -0.007 0.000 3.117 263 K HA -0.158 4.162 4.320 0.000 0.000 0.269 263 K C 0.037 176.644 176.600 0.012 0.000 1.098 263 K CA 0.377 56.672 56.287 0.013 0.000 0.785 263 K CB -0.769 31.746 32.500 0.026 0.000 1.242 263 K HN 0.102 nan 8.250 nan 0.000 0.491 264 K N -0.078 120.323 120.400 0.003 0.000 2.676 264 K HA 0.091 4.411 4.320 0.000 0.000 0.205 264 K C 0.353 176.952 176.600 -0.001 0.000 1.084 264 K CA 0.003 56.294 56.287 0.007 0.000 1.057 264 K CB 0.855 33.364 32.500 0.014 0.000 0.791 264 K HN 0.204 nan 8.250 nan 0.000 0.484 265 E N 0.637 120.834 120.200 -0.005 0.000 2.171 265 E HA -0.176 4.174 4.350 0.000 0.000 0.197 265 E C 1.542 178.138 176.600 -0.007 0.000 0.997 265 E CA 1.196 57.589 56.400 -0.011 0.000 0.810 265 E CB -0.093 29.605 29.700 -0.005 0.000 0.738 265 E HN 0.098 nan 8.360 nan 0.000 0.467 266 R N 0.139 120.640 120.500 0.001 0.000 2.241 266 R HA 0.028 4.368 4.340 0.000 0.000 0.224 266 R C 1.855 178.153 176.300 -0.002 0.000 1.101 266 R CA 0.847 56.948 56.100 0.002 0.000 0.995 266 R CB -0.124 30.181 30.300 0.007 0.000 0.870 266 R HN 0.020 nan 8.270 nan 0.000 0.463 267 S N -0.073 115.624 115.700 -0.004 0.000 2.507 267 S HA 0.031 4.501 4.470 0.000 0.000 0.235 267 S C 0.548 175.134 174.600 -0.023 0.000 0.988 267 S CA 0.556 58.751 58.200 -0.008 0.000 0.944 267 S CB -0.009 63.189 63.200 -0.003 0.000 0.762 267 S HN 0.163 nan 8.310 nan 0.000 0.526 268 L N 1.462 122.669 121.223 -0.027 0.000 2.358 268 L HA 0.422 4.762 4.340 0.000 0.000 0.268 268 L C 0.353 177.207 176.870 -0.027 0.000 1.032 268 L CA -0.863 53.953 54.840 -0.040 0.000 0.805 268 L CB 0.513 42.542 42.059 -0.050 0.000 1.253 268 L HN -0.034 nan 8.230 nan 0.000 0.452 269 N N 1.645 120.326 118.700 -0.032 0.000 2.602 269 N HA 0.168 4.908 4.740 0.000 0.000 0.238 269 N C 0.693 176.199 175.510 -0.006 0.000 1.084 269 N CA -0.001 53.040 53.050 -0.015 0.000 0.952 269 N CB 0.520 38.998 38.487 -0.015 0.000 1.244 269 N HN 0.581 nan 8.380 nan 0.000 0.512 270 L N 1.586 122.812 121.223 0.004 0.000 2.187 270 L HA -0.155 4.185 4.340 0.000 0.000 0.213 270 L C 1.992 178.883 176.870 0.036 0.000 1.100 270 L CA 0.864 55.714 54.840 0.017 0.000 0.765 270 L CB -0.207 41.864 42.059 0.020 0.000 0.904 270 L HN 0.343 nan 8.230 nan 0.000 0.437 271 K N 0.156 120.577 120.400 0.035 0.000 2.062 271 K HA -0.061 4.259 4.320 0.000 0.000 0.205 271 K C 2.387 179.023 176.600 0.060 0.000 1.051 271 K CA 1.626 57.942 56.287 0.048 0.000 0.941 271 K CB -0.513 32.012 32.500 0.041 0.000 0.719 271 K HN 0.386 nan 8.250 nan 0.000 0.440 272 S N 1.280 117.009 115.700 0.048 0.000 2.423 272 S HA -0.052 4.418 4.470 0.000 0.000 0.231 272 S C 2.072 176.723 174.600 0.086 0.000 1.014 272 S CA 0.586 58.821 58.200 0.058 0.000 0.965 272 S CB -0.438 62.779 63.200 0.028 0.000 0.785 272 S HN 0.221 nan 8.310 nan 0.000 0.495 273 L N 0.165 121.426 121.223 0.064 0.000 2.072 273 L HA 0.072 4.412 4.340 0.000 0.000 0.205 273 L C 2.455 179.434 176.870 0.181 0.000 1.079 273 L CA 1.160 56.059 54.840 0.098 0.000 0.752 273 L CB -0.335 41.743 42.059 0.032 0.000 0.906 273 L HN 0.382 nan 8.230 nan 0.000 0.436 274 L N -0.002 121.299 121.223 0.129 0.000 2.046 274 L HA -0.269 4.071 4.340 0.000 0.000 0.208 274 L C 2.465 179.421 176.870 0.143 0.000 1.077 274 L CA 1.874 56.794 54.840 0.134 0.000 0.747 274 L CB -0.560 41.564 42.059 0.108 0.000 0.896 274 L HN 0.342 nan 8.230 nan 0.000 0.432 275 Q N -1.915 117.967 119.800 0.135 0.000 2.172 275 Q HA -0.249 4.091 4.340 0.000 0.000 0.200 275 Q C 2.050 178.131 176.000 0.134 0.000 0.964 275 Q CA 1.833 57.708 55.803 0.119 0.000 0.855 275 Q CB -0.413 28.387 28.738 0.103 0.000 0.918 275 Q HN 0.671 nan 8.270 nan 0.000 0.444 276 W N -0.366 120.933 121.300 -0.002 0.000 2.378 276 W HA -0.186 4.474 4.660 0.000 0.000 0.313 276 W C 1.948 178.469 176.519 0.003 0.000 1.197 276 W CA 1.530 58.859 57.345 -0.027 0.000 1.304 276 W CB -0.562 28.853 29.460 -0.076 0.000 1.148 276 W HN 0.035 nan 8.180 nan 0.000 0.494 277 V N 1.310 121.283 119.914 0.097 0.000 2.427 277 V HA -0.261 3.859 4.120 0.000 0.000 0.248 277 V C 2.424 178.504 176.094 -0.022 0.000 1.051 277 V CA 3.126 65.356 62.300 -0.116 0.000 1.048 277 V CB -1.102 30.782 31.823 0.101 0.000 0.666 277 V HN 0.469 nan 8.190 nan 0.000 0.456 278 T N -3.178 111.413 114.554 0.062 0.000 2.915 278 T HA -0.113 4.237 4.350 0.000 0.000 0.269 278 T C 1.845 176.536 174.700 -0.014 0.000 1.071 278 T CA 1.621 63.788 62.100 0.113 0.000 1.132 278 T CB -0.469 68.480 68.868 0.135 0.000 0.878 278 T HN 0.450 nan 8.240 nan 0.000 0.479 279 S N 0.959 116.595 115.700 -0.107 0.000 2.515 279 S HA 0.112 4.582 4.470 0.000 0.000 0.231 279 S C 1.944 176.386 174.600 -0.263 0.000 0.987 279 S CA 0.037 58.139 58.200 -0.163 0.000 0.936 279 S CB -0.168 62.934 63.200 -0.162 0.000 0.766 279 S HN 0.412 nan 8.310 nan 0.000 0.528 280 R N 1.214 121.517 120.500 -0.329 0.000 2.275 280 R HA 0.158 4.498 4.340 0.000 0.000 0.199 280 R C 0.896 176.981 176.300 -0.358 0.000 0.989 280 R CA 0.080 55.978 56.100 -0.338 0.000 1.016 280 R CB -0.342 29.719 30.300 -0.400 0.000 0.918 280 R HN 0.504 nan 8.270 nan 0.000 0.473 281 Q N 1.088 120.528 119.800 -0.599 0.000 2.304 281 Q HA 0.107 4.447 4.340 0.000 0.000 0.260 281 Q C -0.503 175.224 176.000 -0.455 0.000 0.965 281 Q CA -0.152 55.042 55.803 -1.015 0.000 0.898 281 Q CB 0.709 28.820 28.738 -1.046 0.000 1.196 281 Q HN -0.151 nan 8.270 nan 0.000 0.402 282 M N 4.736 124.113 119.600 -0.373 0.000 2.194 282 M HA 0.093 4.573 4.480 0.000 0.000 0.347 282 M C 1.068 177.326 176.300 -0.071 0.000 1.439 282 M CA 0.400 55.598 55.300 -0.171 0.000 1.131 282 M CB 0.355 32.873 32.600 -0.136 0.000 1.733 282 M HN 0.720 nan 8.290 nan 0.000 0.467 283 R N 1.567 122.058 120.500 -0.014 0.000 2.117 283 R HA -0.205 4.135 4.340 0.000 0.000 0.243 283 R C 1.469 177.837 176.300 0.112 0.000 1.143 283 R CA 1.745 57.877 56.100 0.052 0.000 0.968 283 R CB -0.575 29.751 30.300 0.043 0.000 0.863 283 R HN 0.512 nan 8.270 nan 0.000 0.444 284 F N 1.807 121.755 119.950 -0.003 0.000 2.123 284 F HA 0.094 4.621 4.527 0.000 0.000 0.289 284 F C 1.854 177.845 175.800 0.319 0.000 1.099 284 F CA 1.292 59.311 58.000 0.031 0.000 1.234 284 F CB 0.043 39.028 39.000 -0.026 0.000 1.034 284 F HN -0.092 nan 8.300 nan 0.000 0.479 285 E N 0.005 120.311 120.200 0.177 0.000 2.204 285 E HA 0.086 4.436 4.350 0.000 0.000 0.194 285 E C 1.833 178.534 176.600 0.168 0.000 0.989 285 E CA 1.120 57.612 56.400 0.153 0.000 0.824 285 E CB -0.564 29.157 29.700 0.035 0.000 0.756 285 E HN 0.594 nan 8.360 nan 0.000 0.477 286 G N -0.109 108.713 108.800 0.038 0.000 2.253 286 G HA2 -0.266 3.694 3.960 0.000 0.000 0.251 286 G HA3 -0.266 3.694 3.960 0.000 0.000 0.251 286 G C 0.654 175.493 174.900 -0.101 0.000 0.998 286 G CA 0.092 45.201 45.100 0.015 0.000 0.621 286 G HN 0.627 nan 8.290 nan 0.000 0.524 287 G N -0.790 107.806 108.800 -0.339 0.000 2.543 287 G HA2 0.601 4.561 3.960 0.000 0.000 0.290 287 G HA3 0.601 4.561 3.960 0.000 0.000 0.290 287 G C -0.545 174.149 174.900 -0.344 0.000 1.310 287 G CA -0.784 44.068 45.100 -0.414 0.000 1.025 287 G HN 0.274 nan 8.290 nan 0.000 0.502 288 F N -0.290 119.556 119.950 -0.173 0.000 2.450 288 F HA 0.378 4.905 4.527 0.000 0.000 0.332 288 F C 0.761 176.480 175.800 -0.135 0.000 1.093 288 F CA -0.600 57.313 58.000 -0.146 0.000 1.003 288 F CB 2.133 41.062 39.000 -0.117 0.000 1.151 288 F HN 0.497 nan 8.300 nan 0.000 0.474 289 Q N 1.142 120.900 119.800 -0.069 0.000 2.214 289 Q HA 0.550 4.890 4.340 0.000 0.000 0.251 289 Q C 0.522 176.213 176.000 -0.515 0.000 0.936 289 Q CA -0.550 55.138 55.803 -0.192 0.000 0.894 289 Q CB 1.742 30.372 28.738 -0.179 0.000 1.252 289 Q HN 0.830 nan 8.270 nan 0.000 0.448 290 G N 1.665 109.945 108.800 -0.866 0.000 2.453 290 G HA2 0.023 3.983 3.960 0.000 0.000 0.215 290 G HA3 0.023 3.983 3.960 0.000 0.000 0.215 290 G C 0.290 174.834 174.900 -0.594 0.000 1.147 290 G CA -0.023 44.235 45.100 -1.403 0.000 0.802 290 G HN 0.498 nan 8.290 nan 0.000 0.535 291 R N -1.667 118.652 120.500 -0.301 0.000 2.740 291 R HA 0.366 4.706 4.340 0.000 0.000 0.273 291 R C -1.158 175.106 176.300 -0.061 0.000 0.998 291 R CA -0.856 55.215 56.100 -0.049 0.000 0.900 291 R CB 1.461 31.788 30.300 0.044 0.000 1.223 291 R HN 0.076 nan 8.270 nan 0.000 0.466 292 C N 2.526 121.831 119.300 0.009 0.000 2.611 292 C HA 0.026 4.486 4.460 0.000 0.000 0.416 292 C C 0.826 175.821 174.990 0.009 0.000 1.366 292 C CA 0.675 59.680 59.018 -0.022 0.000 1.761 292 C CB -1.021 26.742 27.740 0.038 0.000 2.619 292 C HN 0.963 nan 8.230 nan 0.000 0.606 293 N N 2.271 120.963 118.700 -0.013 0.000 2.782 293 N HA -0.131 4.609 4.740 0.000 0.000 0.251 293 N C -0.428 175.086 175.510 0.007 0.000 1.101 293 N CA 1.289 54.342 53.050 0.005 0.000 0.764 293 N CB -0.716 37.792 38.487 0.034 0.000 1.122 293 N HN 0.803 nan 8.380 nan 0.000 0.561 294 K N -0.094 120.298 120.400 -0.012 0.000 2.354 294 K HA 0.547 4.867 4.320 0.000 0.000 0.238 294 K C 0.690 177.285 176.600 -0.010 0.000 1.068 294 K CA -0.790 55.497 56.287 0.000 0.000 0.925 294 K CB 1.127 33.630 32.500 0.005 0.000 1.286 294 K HN -0.063 nan 8.250 nan 0.000 0.500 295 L N 0.837 122.071 121.223 0.017 0.000 2.456 295 L HA 0.272 4.612 4.340 0.000 0.000 0.257 295 L C 0.567 177.451 176.870 0.025 0.000 1.162 295 L CA -0.783 54.071 54.840 0.024 0.000 0.808 295 L CB 0.854 42.943 42.059 0.051 0.000 1.136 295 L HN 0.254 nan 8.230 nan 0.000 0.466 296 V N 0.915 120.832 119.914 0.004 0.000 2.924 296 V HA 0.142 4.262 4.120 0.000 0.000 0.305 296 V C -0.558 175.589 176.094 0.088 0.000 1.073 296 V CA 0.336 62.614 62.300 -0.038 0.000 1.098 296 V CB 1.393 33.089 31.823 -0.212 0.000 1.000 296 V HN 0.852 nan 8.190 nan 0.000 0.484 297 D N 3.022 123.528 120.400 0.176 0.000 2.891 297 D HA 0.352 4.992 4.640 0.000 0.000 0.224 297 D C 0.742 177.239 176.300 0.329 0.000 1.321 297 D CA 0.201 54.383 54.000 0.303 0.000 0.929 297 D CB 1.745 42.800 40.800 0.424 0.000 1.551 297 D HN 0.598 nan 8.370 nan 0.000 0.574 298 G N 1.894 110.919 108.800 0.376 0.000 2.475 298 G HA2 -0.291 3.669 3.960 0.000 0.000 0.220 298 G HA3 -0.291 3.669 3.960 0.000 0.000 0.220 298 G C 1.741 176.775 174.900 0.225 0.000 1.125 298 G CA 1.354 46.680 45.100 0.377 0.000 0.755 298 G HN 0.740 nan 8.290 nan 0.000 0.565 299 C N -1.653 117.750 119.300 0.173 0.000 2.432 299 C HA 0.154 4.614 4.460 0.000 0.000 0.282 299 C C 2.273 177.143 174.990 -0.199 0.000 1.388 299 C CA 0.061 59.010 59.018 -0.114 0.000 1.777 299 C CB -1.552 26.009 27.740 -0.298 0.000 1.882 299 C HN 0.433 nan 8.230 nan 0.000 0.520 300 Y N 2.034 122.421 120.300 0.145 0.000 2.578 300 Y HA 0.000 4.551 4.550 0.000 0.000 0.297 300 Y C 2.657 178.518 175.900 -0.066 0.000 1.176 300 Y CA 0.728 58.884 58.100 0.093 0.000 1.315 300 Y CB -0.212 38.316 38.460 0.114 0.000 1.031 300 Y HN 0.346 nan 8.280 nan 0.000 0.524 301 S N -0.190 115.568 115.700 0.097 0.000 2.402 301 S HA -0.172 4.298 4.470 0.000 0.000 0.229 301 S C 1.567 176.077 174.600 -0.150 0.000 1.021 301 S CA 1.180 59.406 58.200 0.043 0.000 0.974 301 S CB -0.300 62.992 63.200 0.154 0.000 0.800 301 S HN 0.559 nan 8.310 nan 0.000 0.484 302 F N 0.489 120.272 119.950 -0.278 0.000 2.222 302 F HA 0.180 4.707 4.527 0.000 0.000 0.285 302 F C 1.656 177.200 175.800 -0.427 0.000 1.068 302 F CA 0.284 58.048 58.000 -0.393 0.000 1.265 302 F CB -0.666 38.056 39.000 -0.462 0.000 1.087 302 F HN 0.156 nan 8.300 nan 0.000 0.511 303 W N 1.027 122.078 121.300 -0.415 0.000 2.321 303 W HA -0.225 4.435 4.660 0.000 0.000 0.306 303 W C 2.415 178.721 176.519 -0.355 0.000 1.217 303 W CA 1.056 58.142 57.345 -0.431 0.000 1.257 303 W CB -0.512 28.897 29.460 -0.086 0.000 1.145 303 W HN 0.087 nan 8.180 nan 0.000 0.509 304 Q N -0.165 119.529 119.800 -0.177 0.000 2.061 304 Q HA 0.013 4.353 4.340 0.000 0.000 0.195 304 Q C 2.462 177.902 176.000 -0.934 0.000 0.967 304 Q CA 1.469 56.974 55.803 -0.498 0.000 0.829 304 Q CB -1.207 27.146 28.738 -0.642 0.000 0.900 304 Q HN 0.306 nan 8.270 nan 0.000 0.450 305 A N 1.112 123.138 122.820 -1.324 0.000 2.019 305 A HA -0.051 4.269 4.320 0.000 0.000 0.219 305 A C 2.240 179.340 177.584 -0.805 0.000 1.164 305 A CA 1.579 52.803 52.037 -1.356 0.000 0.644 305 A CB -0.952 17.249 19.000 -1.331 0.000 0.805 305 A HN 0.442 nan 8.150 nan 0.000 0.449 306 G N -0.399 107.955 108.800 -0.745 0.000 2.498 306 G HA2 -0.098 3.862 3.960 0.000 0.000 0.219 306 G HA3 -0.098 3.862 3.960 0.000 0.000 0.219 306 G C 1.394 176.106 174.900 -0.313 0.000 1.119 306 G CA 0.840 45.554 45.100 -0.643 0.000 0.766 306 G HN 0.465 nan 8.290 nan 0.000 0.552 307 L N -0.011 121.061 121.223 -0.252 0.000 2.217 307 L HA 0.040 4.380 4.340 0.000 0.000 0.211 307 L C 2.569 179.363 176.870 -0.126 0.000 1.107 307 L CA -0.063 54.706 54.840 -0.118 0.000 0.783 307 L CB -0.199 41.830 42.059 -0.051 0.000 0.919 307 L HN 0.116 nan 8.230 nan 0.000 0.442 308 L N 0.164 121.276 121.223 -0.185 0.000 2.046 308 L HA -0.104 4.236 4.340 0.000 0.000 0.208 308 L C 0.077 176.841 176.870 -0.177 0.000 1.077 308 L CA 2.161 56.974 54.840 -0.046 0.000 0.747 308 L CB -2.506 39.669 42.059 0.192 0.000 0.896 308 L HN 0.152 nan 8.230 nan 0.000 0.432 309 P HA -0.121 nan 4.420 nan 0.000 0.216 309 P C 2.248 179.418 177.300 -0.215 0.000 1.153 309 P CA 1.087 63.670 63.100 -0.861 0.000 0.848 309 P CB 0.093 31.198 31.700 -0.992 0.000 0.787 310 L N -1.577 119.557 121.223 -0.149 0.000 2.046 310 L HA -0.159 4.181 4.340 0.000 0.000 0.208 310 L C 2.405 179.284 176.870 0.015 0.000 1.077 310 L CA 1.346 56.155 54.840 -0.052 0.000 0.747 310 L CB -0.972 41.036 42.059 -0.085 0.000 0.896 310 L HN -0.033 nan 8.230 nan 0.000 0.432 311 L N -1.303 119.939 121.223 0.032 0.000 2.201 311 L HA -0.209 4.131 4.340 0.000 0.000 0.212 311 L C 2.520 179.464 176.870 0.123 0.000 1.105 311 L CA 0.815 55.698 54.840 0.072 0.000 0.775 311 L CB -0.466 41.643 42.059 0.083 0.000 0.913 311 L HN 0.279 nan 8.230 nan 0.000 0.440 312 H N 0.007 119.151 119.070 0.122 0.000 2.299 312 H HA -0.177 4.379 4.556 0.000 0.000 0.302 312 H C 2.500 177.939 175.328 0.186 0.000 1.078 312 H CA 1.905 58.084 56.048 0.219 0.000 1.323 312 H CB 0.155 30.139 29.762 0.371 0.000 1.381 312 H HN 0.052 nan 8.280 nan 0.000 0.498 313 R N 0.225 120.890 120.500 0.275 0.000 2.096 313 R HA -0.176 4.164 4.340 0.000 0.000 0.240 313 R C 2.280 178.689 176.300 0.181 0.000 1.139 313 R CA 1.457 57.682 56.100 0.208 0.000 0.952 313 R CB -0.448 29.930 30.300 0.130 0.000 0.854 313 R HN 0.405 nan 8.270 nan 0.000 0.436 314 A N 1.123 124.014 122.820 0.118 0.000 1.855 314 A HA -0.093 4.227 4.320 0.000 0.000 0.215 314 A C 2.265 179.894 177.584 0.074 0.000 1.191 314 A CA 1.181 53.267 52.037 0.081 0.000 0.613 314 A CB -0.557 18.471 19.000 0.047 0.000 0.829 314 A HN 0.359 nan 8.150 nan 0.000 0.442 315 L N -1.139 120.124 121.223 0.067 0.000 2.131 315 L HA -0.194 4.146 4.340 0.000 0.000 0.210 315 L C 2.683 179.586 176.870 0.056 0.000 1.092 315 L CA 1.505 56.370 54.840 0.042 0.000 0.759 315 L CB -0.636 41.433 42.059 0.017 0.000 0.903 315 L HN 0.644 nan 8.230 nan 0.000 0.435 316 H N 0.358 119.424 119.070 -0.007 0.000 2.395 316 H HA -0.076 4.480 4.556 0.000 0.000 0.299 316 H C 2.051 177.402 175.328 0.038 0.000 1.070 316 H CA 1.241 57.300 56.048 0.019 0.000 1.356 316 H CB 0.444 30.246 29.762 0.067 0.000 1.401 316 H HN 0.310 nan 8.280 nan 0.000 0.524 317 A N 0.745 123.587 122.820 0.036 0.000 2.121 317 A HA -0.111 4.209 4.320 0.000 0.000 0.218 317 A C 2.113 179.668 177.584 -0.049 0.000 1.154 317 A CA 1.012 53.042 52.037 -0.012 0.000 0.679 317 A CB -0.249 18.787 19.000 0.060 0.000 0.795 317 A HN 0.589 nan 8.150 nan 0.000 0.458 318 Q N -1.325 118.453 119.800 -0.037 0.000 2.360 318 Q HA 0.267 4.607 4.340 0.000 0.000 0.202 318 Q C 0.837 176.804 176.000 -0.055 0.000 0.915 318 Q CA 0.228 56.013 55.803 -0.030 0.000 0.943 318 Q CB 0.218 28.953 28.738 -0.006 0.000 1.064 318 Q HN 0.796 nan 8.270 nan 0.000 0.511 319 G N 2.515 111.245 108.800 -0.117 0.000 2.225 319 G HA2 -0.230 3.730 3.960 0.000 0.000 0.264 319 G HA3 -0.230 3.730 3.960 0.000 0.000 0.264 319 G C -0.469 174.396 174.900 -0.057 0.000 1.060 319 G CA 0.178 45.201 45.100 -0.129 0.000 0.833 319 G HN 0.351 nan 8.290 nan 0.000 0.498 320 D N 0.464 120.845 120.400 -0.030 0.000 2.401 320 D HA 0.213 4.853 4.640 0.000 0.000 0.254 320 D C 0.240 176.556 176.300 0.027 0.000 1.192 320 D CA -0.964 53.039 54.000 0.005 0.000 0.885 320 D CB 1.213 42.021 40.800 0.013 0.000 1.147 320 D HN 0.258 nan 8.370 nan 0.000 0.478 321 P HA 0.012 nan 4.420 nan 0.000 0.224 321 P C 0.663 177.989 177.300 0.044 0.000 1.157 321 P CA 0.265 63.386 63.100 0.036 0.000 0.799 321 P CB 0.321 32.035 31.700 0.023 0.000 0.809 322 A N -0.155 122.688 122.820 0.038 0.000 2.259 322 A HA 0.182 4.502 4.320 0.000 0.000 0.208 322 A C 1.158 178.773 177.584 0.053 0.000 1.201 322 A CA -0.162 51.899 52.037 0.040 0.000 0.824 322 A CB -0.992 18.028 19.000 0.034 0.000 0.838 322 A HN 0.146 nan 8.150 nan 0.000 0.485 323 L N 0.606 121.865 121.223 0.061 0.000 2.426 323 L HA 0.155 4.495 4.340 0.000 0.000 0.271 323 L C 1.137 178.098 176.870 0.151 0.000 1.169 323 L CA -0.324 54.562 54.840 0.077 0.000 0.836 323 L CB 1.051 43.098 42.059 -0.019 0.000 1.112 323 L HN 0.282 nan 8.230 nan 0.000 0.465 324 S N 2.713 118.537 115.700 0.206 0.000 2.576 324 S HA 0.178 4.648 4.470 0.000 0.000 0.272 324 S C 0.674 175.317 174.600 0.072 0.000 1.352 324 S CA -0.180 58.070 58.200 0.084 0.000 1.021 324 S CB 0.481 63.678 63.200 -0.005 0.000 0.887 324 S HN 0.627 nan 8.310 nan 0.000 0.542 325 M N 2.848 122.356 119.600 -0.155 0.000 2.496 325 M HA 0.159 4.639 4.480 0.000 0.000 0.330 325 M C 0.773 176.757 176.300 -0.528 0.000 1.133 325 M CA -0.174 55.044 55.300 -0.137 0.000 0.964 325 M CB 0.402 32.971 32.600 -0.051 0.000 1.401 325 M HN 0.766 nan 8.290 nan 0.000 0.520 326 S N -2.135 112.879 115.700 -1.143 0.000 2.658 326 S HA 0.221 4.691 4.470 0.000 0.000 0.277 326 S C 0.180 173.583 174.600 -1.996 0.000 1.078 326 S CA -0.360 56.996 58.200 -1.407 0.000 1.124 326 S CB 0.489 63.046 63.200 -1.072 0.000 1.016 326 S HN 0.480 nan 8.310 nan 0.000 0.543 327 H N -0.892 117.311 119.070 -1.444 0.000 2.821 327 H HA 0.574 5.130 4.556 0.000 0.000 0.373 327 H C -1.263 173.831 175.328 -0.389 0.000 1.165 327 H CA -0.908 54.615 56.048 -0.875 0.000 1.154 327 H CB 1.053 30.556 29.762 -0.432 0.000 1.765 327 H HN 0.299 nan 8.280 nan 0.000 0.549 328 W N 1.674 123.078 121.300 0.174 0.000 2.086 328 W HA 0.190 4.850 4.660 0.000 0.000 0.355 328 W C 0.652 177.262 176.519 0.151 0.000 1.313 328 W CA -0.700 56.800 57.345 0.260 0.000 1.358 328 W CB 0.549 30.157 29.460 0.247 0.000 1.166 328 W HN 0.345 nan 8.180 nan 0.000 0.630 329 M N 3.109 123.068 119.600 0.598 0.000 3.376 329 M HA 0.154 4.634 4.480 0.000 0.000 0.218 329 M C -1.142 175.424 176.300 0.443 0.000 1.295 329 M CA 0.278 55.817 55.300 0.398 0.000 1.386 329 M CB -0.948 31.859 32.600 0.345 0.000 1.205 329 M HN 0.319 nan 8.290 nan 0.000 0.496 330 F N -3.799 116.304 119.950 0.255 0.000 2.711 330 F HA 0.408 4.935 4.527 0.000 0.000 0.313 330 F C -0.682 175.207 175.800 0.149 0.000 1.141 330 F CA -1.463 56.677 58.000 0.234 0.000 0.941 330 F CB 0.867 40.118 39.000 0.418 0.000 1.349 330 F HN -0.066 nan 8.300 nan 0.000 0.464 331 H N 1.809 120.937 119.070 0.096 0.000 3.205 331 H HA 0.211 4.767 4.556 0.000 0.000 0.262 331 H C 0.826 176.071 175.328 -0.137 0.000 1.333 331 H CA 0.294 56.248 56.048 -0.156 0.000 1.499 331 H CB 0.802 30.432 29.762 -0.220 0.000 1.609 331 H HN 0.724 nan 8.280 nan 0.000 0.498 332 Q N 2.456 122.055 119.800 -0.335 0.000 2.135 332 Q HA -0.235 4.105 4.340 0.000 0.000 0.204 332 Q C 2.046 178.085 176.000 0.064 0.000 0.981 332 Q CA 1.366 57.060 55.803 -0.181 0.000 0.856 332 Q CB 0.140 28.718 28.738 -0.266 0.000 0.902 332 Q HN 0.757 nan 8.270 nan 0.000 0.425 333 Q N 0.098 119.932 119.800 0.056 0.000 2.020 333 Q HA -0.182 4.158 4.340 0.000 0.000 0.202 333 Q C 2.102 178.150 176.000 0.079 0.000 0.982 333 Q CA 1.419 57.267 55.803 0.076 0.000 0.838 333 Q CB -0.143 28.630 28.738 0.057 0.000 0.899 333 Q HN 0.401 nan 8.270 nan 0.000 0.423 334 A N 0.771 123.600 122.820 0.015 0.000 1.908 334 A HA -0.196 4.124 4.320 0.000 0.000 0.218 334 A C 1.986 179.644 177.584 0.122 0.000 1.181 334 A CA 1.372 53.352 52.037 -0.095 0.000 0.627 334 A CB -0.751 18.006 19.000 -0.405 0.000 0.818 334 A HN 0.461 nan 8.150 nan 0.000 0.445 335 L N -0.127 121.235 121.223 0.232 0.000 2.046 335 L HA -0.196 4.144 4.340 0.000 0.000 0.208 335 L C 2.471 179.521 176.870 0.299 0.000 1.077 335 L CA 2.313 57.355 54.840 0.337 0.000 0.747 335 L CB -0.738 41.638 42.059 0.528 0.000 0.896 335 L HN 0.507 nan 8.230 nan 0.000 0.432 336 Q N -0.694 119.242 119.800 0.227 0.000 2.170 336 Q HA -0.233 4.107 4.340 0.000 0.000 0.203 336 Q C 2.071 178.147 176.000 0.126 0.000 0.976 336 Q CA 1.907 57.804 55.803 0.157 0.000 0.858 336 Q CB -0.127 28.671 28.738 0.099 0.000 0.907 336 Q HN 0.656 nan 8.270 nan 0.000 0.433 337 E N -0.247 120.024 120.200 0.118 0.000 2.046 337 E HA -0.196 4.154 4.350 0.000 0.000 0.190 337 E C 1.681 178.388 176.600 0.179 0.000 0.982 337 E CA 0.910 57.365 56.400 0.090 0.000 0.800 337 E CB -0.138 29.559 29.700 -0.004 0.000 0.756 337 E HN 0.331 nan 8.360 nan 0.000 0.449 338 Y N 1.632 122.027 120.300 0.158 0.000 2.097 338 Y HA -0.243 4.307 4.550 0.000 0.000 0.282 338 Y C 1.960 177.944 175.900 0.140 0.000 1.152 338 Y CA 1.611 59.826 58.100 0.191 0.000 1.136 338 Y CB -0.252 38.307 38.460 0.164 0.000 0.975 338 Y HN -0.063 nan 8.280 nan 0.000 0.498 339 I N -0.243 120.384 120.570 0.095 0.000 2.127 339 I HA -0.365 3.805 4.170 0.000 0.000 0.241 339 I C 2.373 178.463 176.117 -0.045 0.000 1.075 339 I CA 1.720 63.020 61.300 0.000 0.000 1.334 339 I CB -0.632 37.438 38.000 0.117 0.000 1.040 339 I HN 0.255 nan 8.210 nan 0.000 0.405 340 L N -0.435 120.802 121.223 0.022 0.000 2.027 340 L HA -0.206 4.134 4.340 0.000 0.000 0.206 340 L C 2.627 179.515 176.870 0.031 0.000 1.074 340 L CA 1.524 56.386 54.840 0.036 0.000 0.745 340 L CB -0.383 41.707 42.059 0.051 0.000 0.898 340 L HN 0.257 nan 8.230 nan 0.000 0.433 341 M N -1.702 117.927 119.600 0.049 0.000 2.248 341 M HA -0.119 4.361 4.480 0.000 0.000 0.265 341 M C 2.059 178.336 176.300 -0.038 0.000 1.079 341 M CA 1.189 56.544 55.300 0.092 0.000 1.150 341 M CB -0.139 32.620 32.600 0.264 0.000 1.366 341 M HN 0.364 nan 8.290 nan 0.000 0.433 342 C N -1.430 117.750 119.300 -0.200 0.000 2.912 342 C HA 0.127 4.587 4.460 0.000 0.000 0.274 342 C C 1.981 176.751 174.990 -0.367 0.000 1.248 342 C CA -0.468 58.334 59.018 -0.359 0.000 1.694 342 C CB -0.706 26.665 27.740 -0.614 0.000 2.024 342 C HN 0.590 nan 8.230 nan 0.000 0.605 343 C N 0.759 119.866 119.300 -0.321 0.000 3.104 343 C HA 0.199 4.659 4.460 0.000 0.000 0.284 343 C C 0.646 175.565 174.990 -0.118 0.000 1.326 343 C CA -0.253 58.639 59.018 -0.211 0.000 1.725 343 C CB -1.679 25.956 27.740 -0.175 0.000 2.156 343 C HN 0.612 nan 8.230 nan 0.000 0.638 344 Q N 0.310 120.065 119.800 -0.075 0.000 2.241 344 Q HA 0.379 4.719 4.340 0.000 0.000 0.254 344 Q C -0.458 175.524 176.000 -0.030 0.000 0.917 344 Q CA -0.114 55.687 55.803 -0.004 0.000 0.919 344 Q CB 1.813 30.610 28.738 0.099 0.000 1.237 344 Q HN 0.467 nan 8.270 nan 0.000 0.434 345 C N 4.214 123.492 119.300 -0.036 0.000 2.285 345 C HA 0.345 4.805 4.460 0.000 0.000 0.335 345 C C -1.376 173.587 174.990 -0.045 0.000 1.267 345 C CA -1.939 57.031 59.018 -0.080 0.000 1.762 345 C CB 0.039 27.682 27.740 -0.161 0.000 2.365 345 C HN 0.735 nan 8.230 nan 0.000 0.527 346 P HA -0.129 nan 4.420 nan 0.000 0.217 346 P C 1.296 178.566 177.300 -0.050 0.000 1.151 346 P CA 2.299 65.371 63.100 -0.046 0.000 0.849 346 P CB 0.075 31.747 31.700 -0.047 0.000 0.787 347 A N -1.274 121.508 122.820 -0.063 0.000 2.239 347 A HA 0.398 4.718 4.320 0.000 0.000 0.209 347 A C 1.068 178.615 177.584 -0.062 0.000 1.171 347 A CA 0.943 52.947 52.037 -0.056 0.000 0.768 347 A CB -1.167 17.794 19.000 -0.066 0.000 0.790 347 A HN 0.351 nan 8.150 nan 0.000 0.478 348 G N -2.962 105.801 108.800 -0.063 0.000 2.674 348 G HA2 0.540 4.500 3.960 0.000 0.000 0.686 348 G HA3 0.540 4.500 3.960 0.000 0.000 0.686 348 G C 0.377 175.116 174.900 -0.268 0.000 1.195 348 G CA -0.214 44.905 45.100 0.031 0.000 0.776 348 G HN 2.450 nan 8.290 nan 0.000 0.654 349 G N -1.059 107.699 108.800 -0.069 0.000 2.692 349 G HA2 0.375 4.335 3.960 0.000 0.000 0.686 349 G HA3 0.375 4.335 3.960 0.000 0.000 0.686 349 G C -0.637 174.096 174.900 -0.278 0.000 1.243 349 G CA 0.072 44.929 45.100 -0.405 0.000 0.782 349 G HN 1.654 nan 8.290 nan 0.000 0.625 350 L N 0.271 121.358 121.223 -0.227 0.000 2.286 350 L HA 0.978 5.318 4.340 0.000 0.000 0.265 350 L C 0.429 177.230 176.870 -0.115 0.000 1.012 350 L CA -0.962 53.774 54.840 -0.173 0.000 0.818 350 L CB 1.833 43.781 42.059 -0.185 0.000 1.337 350 L HN 1.021 nan 8.230 nan 0.000 0.438 351 L N -3.209 117.942 121.223 -0.120 0.000 2.510 351 L HA 0.674 5.014 4.340 0.000 0.000 0.252 351 L C 0.357 177.081 176.870 -0.242 0.000 1.091 351 L CA -0.696 54.016 54.840 -0.213 0.000 0.888 351 L CB 0.352 42.284 42.059 -0.211 0.000 1.507 351 L HN 0.427 nan 8.230 nan 0.000 0.407 352 D N 0.299 120.396 120.400 -0.504 0.000 2.106 352 D HA -0.108 4.532 4.640 0.000 0.000 0.194 352 D C 0.041 176.360 176.300 0.032 0.000 0.988 352 D CA 2.435 56.284 54.000 -0.252 0.000 0.845 352 D CB 0.318 40.943 40.800 -0.292 0.000 0.990 352 D HN 0.726 nan 8.370 nan 0.000 0.448 353 K N -1.768 118.629 120.400 -0.005 0.000 2.548 353 K HA 0.561 4.881 4.320 0.000 0.000 0.282 353 K C -2.985 173.597 176.600 -0.030 0.000 1.006 353 K CA -1.768 54.560 56.287 0.068 0.000 0.892 353 K CB 1.465 34.056 32.500 0.152 0.000 1.499 353 K HN -0.258 nan 8.250 nan 0.000 0.433 354 P HA 0.029 nan 4.420 nan 0.000 0.264 354 P C 0.440 177.712 177.300 -0.046 0.000 1.193 354 P CA 1.539 64.599 63.100 -0.066 0.000 0.763 354 P CB 0.571 32.226 31.700 -0.075 0.000 0.810 355 G N 1.488 110.254 108.800 -0.056 0.000 2.232 355 G HA2 -0.174 3.786 3.960 0.000 0.000 0.226 355 G HA3 -0.174 3.786 3.960 0.000 0.000 0.226 355 G C 0.170 175.039 174.900 -0.051 0.000 0.996 355 G CA -0.333 44.740 45.100 -0.045 0.000 0.626 355 G HN 0.472 nan 8.290 nan 0.000 0.509 356 K N 1.053 121.412 120.400 -0.067 0.000 2.090 356 K HA 0.675 4.995 4.320 0.000 0.000 0.250 356 K C 0.196 176.736 176.600 -0.100 0.000 1.004 356 K CA -0.264 55.972 56.287 -0.086 0.000 0.919 356 K CB 1.300 33.725 32.500 -0.125 0.000 1.045 356 K HN 0.162 nan 8.250 nan 0.000 0.471 357 S N 0.983 116.625 115.700 -0.097 0.000 2.616 357 S HA 0.265 4.735 4.470 0.000 0.000 0.277 357 S C 0.142 174.673 174.600 -0.115 0.000 1.234 357 S CA -0.833 57.310 58.200 -0.094 0.000 1.028 357 S CB 0.954 64.114 63.200 -0.067 0.000 0.988 357 S HN 0.485 nan 8.310 nan 0.000 0.522 358 R N 0.998 121.420 120.500 -0.131 0.000 2.679 358 R HA 0.490 4.830 4.340 0.000 0.000 0.269 358 R C -1.056 175.210 176.300 -0.056 0.000 1.076 358 R CA -0.424 55.587 56.100 -0.147 0.000 1.160 358 R CB -0.140 29.978 30.300 -0.303 0.000 1.054 358 R HN 0.728 nan 8.270 nan 0.000 0.507 359 D N -0.259 120.146 120.400 0.008 0.000 2.653 359 D HA 0.130 4.770 4.640 0.000 0.000 0.258 359 D C -0.352 175.952 176.300 0.007 0.000 1.252 359 D CA -0.843 53.193 54.000 0.061 0.000 0.777 359 D CB 0.232 41.128 40.800 0.160 0.000 1.339 359 D HN 0.382 nan 8.370 nan 0.000 0.422 360 F N -0.686 119.423 119.950 0.265 0.000 2.293 360 F HA -0.064 4.463 4.527 0.000 0.000 0.300 360 F C 1.941 177.602 175.800 -0.232 0.000 1.086 360 F CA 0.642 58.691 58.000 0.082 0.000 1.375 360 F CB -0.339 38.757 39.000 0.160 0.000 1.045 360 F HN 0.480 nan 8.300 nan 0.000 0.516 361 Y N 0.566 120.510 120.300 -0.593 0.000 2.114 361 Y HA -0.279 4.271 4.550 0.000 0.000 0.284 361 Y C 2.424 178.009 175.900 -0.526 0.000 1.143 361 Y CA 2.024 59.394 58.100 -1.217 0.000 1.135 361 Y CB -0.957 36.774 38.460 -1.215 0.000 0.980 361 Y HN 0.053 nan 8.280 nan 0.000 0.499 362 H N -1.080 117.817 119.070 -0.289 0.000 2.457 362 H HA -0.079 4.477 4.556 0.000 0.000 0.294 362 H C 2.134 177.315 175.328 -0.244 0.000 1.064 362 H CA 1.809 57.700 56.048 -0.262 0.000 1.330 362 H CB -0.182 29.541 29.762 -0.065 0.000 1.395 362 H HN 0.322 nan 8.280 nan 0.000 0.541 363 T N -0.484 114.019 114.554 -0.085 0.000 2.708 363 T HA -0.238 4.112 4.350 0.000 0.000 0.266 363 T C 2.351 176.923 174.700 -0.213 0.000 1.037 363 T CA 1.299 63.334 62.100 -0.107 0.000 1.146 363 T CB -0.701 68.190 68.868 0.038 0.000 0.865 363 T HN 0.574 nan 8.240 nan 0.000 0.435 364 C N 0.754 119.864 119.300 -0.317 0.000 2.413 364 C HA -0.118 4.342 4.460 0.000 0.000 0.277 364 C C 2.353 176.938 174.990 -0.675 0.000 1.228 364 C CA 0.580 59.298 59.018 -0.499 0.000 1.731 364 C CB -1.483 25.882 27.740 -0.624 0.000 2.042 364 C HN 0.646 nan 8.230 nan 0.000 0.468 365 Y N -0.339 119.672 120.300 -0.483 0.000 2.457 365 Y HA 0.010 4.560 4.550 0.000 0.000 0.292 365 Y C 2.844 178.580 175.900 -0.273 0.000 1.125 365 Y CA 1.234 59.030 58.100 -0.506 0.000 1.254 365 Y CB -0.564 37.401 38.460 -0.826 0.000 1.012 365 Y HN 0.399 nan 8.280 nan 0.000 0.555 366 C N -0.238 118.993 119.300 -0.114 0.000 2.466 366 C HA -0.104 4.356 4.460 0.000 0.000 0.278 366 C C 2.662 177.629 174.990 -0.039 0.000 1.288 366 C CA 0.811 59.813 59.018 -0.026 0.000 1.722 366 C CB -1.109 26.613 27.740 -0.030 0.000 2.017 366 C HN 0.526 nan 8.230 nan 0.000 0.488 367 L N 0.226 121.379 121.223 -0.116 0.000 2.093 367 L HA -0.113 4.227 4.340 0.000 0.000 0.208 367 L C 2.649 179.474 176.870 -0.076 0.000 1.085 367 L CA 1.286 56.063 54.840 -0.105 0.000 0.755 367 L CB -0.660 41.299 42.059 -0.167 0.000 0.904 367 L HN 0.297 nan 8.230 nan 0.000 0.435 368 S N 0.066 115.689 115.700 -0.128 0.000 2.368 368 S HA -0.126 4.344 4.470 0.000 0.000 0.225 368 S C 1.962 176.664 174.600 0.169 0.000 1.030 368 S CA 1.319 59.496 58.200 -0.038 0.000 0.999 368 S CB -0.474 62.539 63.200 -0.313 0.000 0.844 368 S HN 0.608 nan 8.310 nan 0.000 0.459 369 G N 1.120 110.015 108.800 0.158 0.000 2.448 369 G HA2 -0.079 3.881 3.960 0.000 0.000 0.218 369 G HA3 -0.079 3.881 3.960 0.000 0.000 0.218 369 G C 1.348 176.354 174.900 0.176 0.000 1.135 369 G CA 0.448 45.652 45.100 0.173 0.000 0.784 369 G HN 0.394 nan 8.290 nan 0.000 0.543 370 L N 1.054 122.358 121.223 0.135 0.000 2.027 370 L HA 0.051 4.391 4.340 0.000 0.000 0.206 370 L C 2.858 179.804 176.870 0.127 0.000 1.074 370 L CA 2.378 57.295 54.840 0.129 0.000 0.745 370 L CB -0.900 41.206 42.059 0.078 0.000 0.898 370 L HN 0.203 nan 8.230 nan 0.000 0.433 371 S N -0.628 115.150 115.700 0.130 0.000 2.374 371 S HA -0.201 4.269 4.470 0.000 0.000 0.227 371 S C 2.069 176.831 174.600 0.270 0.000 1.037 371 S CA 1.815 60.123 58.200 0.180 0.000 1.024 371 S CB -0.442 62.892 63.200 0.223 0.000 0.861 371 S HN 0.492 nan 8.310 nan 0.000 0.456 372 I N 1.224 121.976 120.570 0.303 0.000 2.315 372 I HA -0.149 4.021 4.170 0.000 0.000 0.248 372 I C 2.680 179.122 176.117 0.541 0.000 1.117 372 I CA 1.103 62.630 61.300 0.378 0.000 1.404 372 I CB -0.554 37.576 38.000 0.217 0.000 1.071 372 I HN 0.385 nan 8.210 nan 0.000 0.419 373 A N 0.061 123.149 122.820 0.448 0.000 1.968 373 A HA -0.197 4.123 4.320 0.000 0.000 0.217 373 A C 2.198 179.911 177.584 0.216 0.000 1.169 373 A CA 1.241 53.561 52.037 0.472 0.000 0.638 373 A CB -0.340 18.908 19.000 0.413 0.000 0.812 373 A HN 0.465 nan 8.150 nan 0.000 0.446 374 Q N -0.915 118.916 119.800 0.052 0.000 2.163 374 Q HA 0.001 4.341 4.340 0.000 0.000 0.198 374 Q C -0.133 175.724 176.000 -0.238 0.000 0.954 374 Q CA 0.559 56.238 55.803 -0.206 0.000 0.851 374 Q CB 0.077 28.522 28.738 -0.489 0.000 0.928 374 Q HN 0.702 nan 8.270 nan 0.000 0.459 375 H N -0.526 118.658 119.070 0.190 0.000 2.556 375 H HA 0.219 4.775 4.556 0.000 0.000 0.310 375 H C -1.302 174.124 175.328 0.164 0.000 1.057 375 H CA -0.471 55.666 56.048 0.148 0.000 1.264 375 H CB 0.328 30.183 29.762 0.156 0.000 1.404 375 H HN 0.050 nan 8.280 nan 0.000 0.462 376 F N 1.843 121.687 119.950 -0.176 0.000 2.470 376 F HA 0.649 5.176 4.527 0.000 0.000 0.329 376 F C -0.139 175.415 175.800 -0.410 0.000 1.072 376 F CA -0.271 57.284 58.000 -0.741 0.000 0.989 376 F CB 1.992 40.377 39.000 -1.024 0.000 1.193 376 F HN 0.598 nan 8.300 nan 0.000 0.481 377 G N 1.619 109.368 108.800 -1.753 0.000 2.716 377 G HA2 0.449 4.409 3.960 0.000 0.000 0.299 377 G HA3 0.449 4.409 3.960 0.000 0.000 0.299 377 G C -1.975 172.304 174.900 -1.034 0.000 1.450 377 G CA -0.644 43.912 45.100 -0.908 0.000 0.968 377 G HN 0.774 nan 8.290 nan 0.000 0.566 378 S N 0.919 116.311 115.700 -0.514 0.000 2.397 378 S HA 0.592 5.062 4.470 0.000 0.000 0.190 378 S C 0.892 175.407 174.600 -0.143 0.000 1.100 378 S CA 0.911 58.934 58.200 -0.296 0.000 1.150 378 S CB -0.175 62.947 63.200 -0.130 0.000 1.302 378 S HN 2.734 nan 8.310 nan 0.000 0.417 379 G N 3.809 112.540 108.800 -0.116 0.000 2.652 379 G HA2 -0.227 3.733 3.960 0.000 0.000 0.278 379 G HA3 -0.227 3.733 3.960 0.000 0.000 0.278 379 G C 1.060 175.957 174.900 -0.005 0.000 1.263 379 G CA 0.337 45.421 45.100 -0.026 0.000 0.966 379 G HN 1.734 nan 8.290 nan 0.000 0.544 380 A N -0.174 122.657 122.820 0.018 0.000 2.147 380 A HA 0.574 4.894 4.320 0.000 0.000 0.211 380 A C 1.355 178.951 177.584 0.020 0.000 1.160 380 A CA 1.421 53.471 52.037 0.021 0.000 0.781 380 A CB -0.151 18.867 19.000 0.030 0.000 0.842 380 A HN 0.567 nan 8.150 nan 0.000 0.475 381 M N 1.003 120.622 119.600 0.032 0.000 2.217 381 M HA 0.394 4.875 4.480 0.000 0.000 0.354 381 M C -0.846 175.494 176.300 0.068 0.000 1.225 381 M CA 0.061 55.403 55.300 0.069 0.000 1.137 381 M CB 0.505 33.199 32.600 0.156 0.000 1.576 381 M HN -0.001 nan 8.290 nan 0.000 0.461 382 L N 3.510 124.788 121.223 0.090 0.000 2.464 382 L HA 0.428 4.768 4.340 0.000 0.000 0.266 382 L C -1.215 175.757 176.870 0.169 0.000 0.965 382 L CA -0.227 54.670 54.840 0.094 0.000 0.833 382 L CB 1.782 43.865 42.059 0.041 0.000 1.296 382 L HN 0.796 nan 8.230 nan 0.000 0.405 383 H N 1.413 120.510 119.070 0.045 0.000 3.179 383 H HA 0.510 5.066 4.556 0.000 0.000 0.331 383 H C -1.377 173.930 175.328 -0.036 0.000 1.013 383 H CA -0.414 55.596 56.048 -0.064 0.000 1.430 383 H CB 1.305 30.904 29.762 -0.270 0.000 1.895 383 H HN 0.479 nan 8.280 nan 0.000 0.468 384 D N 2.658 122.854 120.400 -0.339 0.000 2.332 384 D HA 0.519 5.159 4.640 0.000 0.000 0.252 384 D C -0.438 175.577 176.300 -0.476 0.000 1.050 384 D CA -0.410 53.427 54.000 -0.271 0.000 0.970 384 D CB 2.083 42.851 40.800 -0.055 0.000 1.141 384 D HN 0.228 nan 8.370 nan 0.000 0.485 385 V N 1.254 121.003 119.914 -0.275 0.000 2.568 385 V HA 0.196 4.316 4.120 0.000 0.000 0.276 385 V C -0.736 175.281 176.094 -0.127 0.000 1.002 385 V CA -0.731 61.454 62.300 -0.193 0.000 0.879 385 V CB 1.696 33.439 31.823 -0.132 0.000 1.040 385 V HN 0.276 nan 8.190 nan 0.000 0.457 386 V N 5.385 125.238 119.914 -0.100 0.000 2.293 386 V HA 0.449 4.569 4.120 0.000 0.000 0.275 386 V C 0.329 176.396 176.094 -0.046 0.000 1.021 386 V CA -0.465 61.792 62.300 -0.072 0.000 0.815 386 V CB 1.419 33.206 31.823 -0.059 0.000 1.025 386 V HN 0.696 nan 8.190 nan 0.000 0.448 387 M N 3.055 122.635 119.600 -0.033 0.000 2.242 387 M HA 0.486 4.966 4.480 0.000 0.000 0.344 387 M C 1.129 177.414 176.300 -0.025 0.000 1.140 387 M CA 1.039 56.323 55.300 -0.028 0.000 1.160 387 M CB 0.442 33.032 32.600 -0.016 0.000 1.491 387 M HN 0.930 nan 8.290 nan 0.000 0.459 388 G N 1.156 109.935 108.800 -0.035 0.000 2.562 388 G HA2 -0.164 3.796 3.960 0.000 0.000 0.250 388 G HA3 -0.164 3.796 3.960 0.000 0.000 0.250 388 G C -0.289 174.596 174.900 -0.026 0.000 1.269 388 G CA -0.249 44.831 45.100 -0.034 0.000 0.919 388 G HN 1.200 nan 8.290 nan 0.000 0.574 389 V N -0.750 119.153 119.914 -0.019 0.000 2.655 389 V HA 0.470 4.590 4.120 0.000 0.000 0.300 389 V C 0.043 176.131 176.094 -0.010 0.000 1.044 389 V CA 0.075 62.366 62.300 -0.014 0.000 1.095 389 V CB 1.037 32.854 31.823 -0.011 0.000 0.952 389 V HN 0.822 nan 8.190 nan 0.000 0.485 390 P HA -0.143 nan 4.420 nan 0.000 0.223 390 P C 0.847 178.149 177.300 0.002 0.000 1.144 390 P CA 1.309 64.405 63.100 -0.005 0.000 0.783 390 P CB 0.313 32.010 31.700 -0.005 0.000 0.771 391 E N -0.237 119.963 120.200 0.001 0.000 2.478 391 E HA -0.044 4.306 4.350 0.000 0.000 0.198 391 E C 1.607 178.215 176.600 0.013 0.000 1.046 391 E CA 0.462 56.865 56.400 0.005 0.000 0.870 391 E CB -0.996 28.703 29.700 -0.001 0.000 0.818 391 E HN 0.487 nan 8.360 nan 0.000 0.527 392 N N -0.162 118.545 118.700 0.012 0.000 2.331 392 N HA -0.054 4.686 4.740 0.000 0.000 0.180 392 N C 0.305 175.828 175.510 0.022 0.000 1.019 392 N CA -0.053 53.008 53.050 0.019 0.000 0.881 392 N CB 0.342 38.836 38.487 0.012 0.000 0.972 392 N HN 0.013 nan 8.380 nan 0.000 0.435 393 V N 2.667 122.592 119.914 0.019 0.000 2.584 393 V HA -0.018 4.102 4.120 0.000 0.000 0.303 393 V C -0.066 176.077 176.094 0.082 0.000 1.035 393 V CA 0.453 62.773 62.300 0.033 0.000 1.172 393 V CB -0.129 31.730 31.823 0.060 0.000 0.896 393 V HN 0.082 nan 8.190 nan 0.000 0.486 394 L N 5.874 127.169 121.223 0.121 0.000 2.365 394 L HA 0.532 4.872 4.340 0.000 0.000 0.267 394 L C 0.148 177.169 176.870 0.252 0.000 1.033 394 L CA -1.018 53.908 54.840 0.144 0.000 0.802 394 L CB 1.167 43.287 42.059 0.102 0.000 1.267 394 L HN 0.467 nan 8.230 nan 0.000 0.457 395 Q N 2.104 121.980 119.800 0.127 0.000 2.364 395 Q HA 0.186 4.527 4.340 0.000 0.000 0.267 395 Q C -2.200 173.864 176.000 0.107 0.000 0.999 395 Q CA -1.467 54.383 55.803 0.078 0.000 0.886 395 Q CB 0.418 29.175 28.738 0.033 0.000 1.243 395 Q HN 0.258 nan 8.270 nan 0.000 0.415 396 P HA 0.038 nan 4.420 nan 0.000 0.272 396 P C -0.468 176.922 177.300 0.149 0.000 1.230 396 P CA -0.129 62.985 63.100 0.023 0.000 0.788 396 P CB 0.839 32.423 31.700 -0.193 0.000 0.949 397 T N 0.386 115.076 114.554 0.228 0.000 2.861 397 T HA 0.167 4.517 4.350 0.000 0.000 0.287 397 T C -0.660 174.218 174.700 0.297 0.000 1.003 397 T CA -0.460 61.813 62.100 0.288 0.000 0.977 397 T CB 0.184 69.247 68.868 0.326 0.000 0.996 397 T HN 0.369 nan 8.240 nan 0.000 0.448 398 H N 6.733 125.963 119.070 0.266 0.000 2.955 398 H HA 0.192 4.748 4.556 0.000 0.000 0.290 398 H C -1.546 173.989 175.328 0.345 0.000 1.047 398 H CA -1.595 54.624 56.048 0.285 0.000 1.484 398 H CB 1.726 31.685 29.762 0.329 0.000 1.501 398 H HN 0.441 nan 8.280 nan 0.000 0.521 399 P HA -0.142 nan 4.420 nan 0.000 0.222 399 P C 1.334 178.975 177.300 0.568 0.000 1.147 399 P CA 0.563 63.881 63.100 0.364 0.000 0.790 399 P CB 0.624 32.362 31.700 0.064 0.000 0.780 400 V N -1.447 118.811 119.914 0.573 0.000 2.374 400 V HA -0.132 3.988 4.120 0.000 0.000 0.241 400 V C 2.325 178.649 176.094 0.382 0.000 1.034 400 V CA 1.590 64.075 62.300 0.308 0.000 1.037 400 V CB -1.224 30.569 31.823 -0.050 0.000 0.682 400 V HN -0.026 nan 8.190 nan 0.000 0.463 401 Y N -0.560 120.086 120.300 0.577 0.000 2.503 401 Y HA 0.213 4.763 4.550 0.000 0.000 0.278 401 Y C 1.453 177.582 175.900 0.382 0.000 1.111 401 Y CA 0.405 58.753 58.100 0.415 0.000 1.270 401 Y CB -0.024 38.485 38.460 0.082 0.000 1.063 401 Y HN 0.388 nan 8.280 nan 0.000 0.548 402 N N 0.770 119.771 118.700 0.501 0.000 2.758 402 N HA -0.196 4.544 4.740 0.000 0.000 0.248 402 N C -1.002 174.444 175.510 -0.106 0.000 1.076 402 N CA 0.915 54.054 53.050 0.148 0.000 0.696 402 N CB -1.507 36.856 38.487 -0.207 0.000 0.979 402 N HN 0.604 nan 8.380 nan 0.000 0.550 403 I N -4.258 116.399 120.570 0.144 0.000 2.969 403 I HA 0.726 4.896 4.170 0.000 0.000 0.307 403 I C 1.014 177.294 176.117 0.271 0.000 1.149 403 I CA -1.067 60.314 61.300 0.136 0.000 1.008 403 I CB 1.639 39.698 38.000 0.098 0.000 1.232 403 I HN 0.005 nan 8.210 nan 0.000 0.435 404 G N 2.794 111.747 108.800 0.255 0.000 2.321 404 G HA2 0.225 4.185 3.960 0.000 0.000 0.237 404 G HA3 0.225 4.185 3.960 0.000 0.000 0.237 404 G C -1.900 173.125 174.900 0.208 0.000 1.282 404 G CA -0.593 44.633 45.100 0.210 0.000 0.886 404 G HN 0.614 nan 8.290 nan 0.000 0.528 405 P HA -0.157 nan 4.420 nan 0.000 0.217 405 P C 1.601 179.007 177.300 0.176 0.000 1.148 405 P CA 1.603 64.871 63.100 0.280 0.000 0.828 405 P CB 0.193 32.020 31.700 0.211 0.000 0.783 406 D N -0.582 119.889 120.400 0.119 0.000 2.117 406 D HA -0.174 4.466 4.640 0.000 0.000 0.198 406 D C 1.462 177.806 176.300 0.073 0.000 0.982 406 D CA 1.227 55.276 54.000 0.082 0.000 0.828 406 D CB -0.668 40.169 40.800 0.061 0.000 0.967 406 D HN 0.083 nan 8.370 nan 0.000 0.464 407 K N 0.832 121.278 120.400 0.077 0.000 2.097 407 K HA -0.018 4.302 4.320 0.000 0.000 0.206 407 K C 2.481 179.096 176.600 0.025 0.000 1.049 407 K CA 0.295 56.621 56.287 0.065 0.000 0.933 407 K CB -0.758 31.782 32.500 0.067 0.000 0.717 407 K HN 0.187 nan 8.250 nan 0.000 0.442 408 V N 1.884 121.792 119.914 -0.010 0.000 2.237 408 V HA -0.216 3.904 4.120 0.000 0.000 0.245 408 V C 2.398 178.448 176.094 -0.074 0.000 1.046 408 V CA 1.560 63.773 62.300 -0.144 0.000 1.007 408 V CB -0.397 31.309 31.823 -0.194 0.000 0.638 408 V HN 0.168 nan 8.190 nan 0.000 0.445 409 I N -0.285 120.293 120.570 0.013 0.000 2.208 409 I HA -0.334 3.836 4.170 0.000 0.000 0.245 409 I C 2.677 178.803 176.117 0.016 0.000 1.097 409 I CA 1.965 63.281 61.300 0.027 0.000 1.363 409 I CB -0.443 37.591 38.000 0.057 0.000 1.051 409 I HN 0.422 nan 8.210 nan 0.000 0.413 410 Q N 0.947 120.767 119.800 0.034 0.000 2.084 410 Q HA -0.228 4.112 4.340 0.000 0.000 0.202 410 Q C 2.316 178.316 176.000 0.000 0.000 0.978 410 Q CA 1.969 57.802 55.803 0.050 0.000 0.844 410 Q CB -0.041 28.757 28.738 0.101 0.000 0.898 410 Q HN 0.561 nan 8.270 nan 0.000 0.426 411 A N 0.342 123.160 122.820 -0.004 0.000 1.854 411 A HA -0.171 4.149 4.320 0.000 0.000 0.214 411 A C 2.292 179.854 177.584 -0.036 0.000 1.192 411 A CA 2.020 53.986 52.037 -0.117 0.000 0.611 411 A CB -1.236 17.811 19.000 0.078 0.000 0.832 411 A HN 0.661 nan 8.150 nan 0.000 0.442 412 T N -2.962 111.584 114.554 -0.013 0.000 2.746 412 T HA -0.164 4.186 4.350 0.000 0.000 0.267 412 T C 1.800 176.500 174.700 -0.000 0.000 1.039 412 T CA 2.248 64.358 62.100 0.017 0.000 1.142 412 T CB -1.183 67.669 68.868 -0.025 0.000 0.866 412 T HN 0.290 nan 8.240 nan 0.000 0.444 413 T N 0.698 115.235 114.554 -0.028 0.000 2.833 413 T HA -0.106 4.244 4.350 0.000 0.000 0.269 413 T C 1.697 176.337 174.700 -0.100 0.000 1.054 413 T CA 1.746 63.822 62.100 -0.040 0.000 1.135 413 T CB -0.532 68.325 68.868 -0.018 0.000 0.869 413 T HN 0.788 nan 8.240 nan 0.000 0.466 414 H N 0.165 119.062 119.070 -0.289 0.000 2.333 414 H HA 0.064 4.620 4.556 0.000 0.000 0.302 414 H C 1.641 176.691 175.328 -0.463 0.000 1.075 414 H CA 1.453 57.216 56.048 -0.474 0.000 1.348 414 H CB -0.494 28.700 29.762 -0.946 0.000 1.393 414 H HN 0.410 nan 8.280 nan 0.000 0.509 415 F N -0.102 119.653 119.950 -0.324 0.000 2.502 415 F HA 0.015 4.542 4.527 0.000 0.000 0.298 415 F C 1.916 177.591 175.800 -0.207 0.000 1.111 415 F CA 0.251 58.086 58.000 -0.276 0.000 1.445 415 F CB 0.059 38.967 39.000 -0.154 0.000 1.081 415 F HN 0.152 nan 8.300 nan 0.000 0.558 416 L N -0.255 120.947 121.223 -0.035 0.000 2.610 416 L HA -0.120 4.220 4.340 0.000 0.000 0.232 416 L C 1.721 178.544 176.870 -0.078 0.000 1.149 416 L CA 0.718 55.537 54.840 -0.035 0.000 0.872 416 L CB -0.368 41.677 42.059 -0.024 0.000 0.992 416 L HN 0.244 nan 8.230 nan 0.000 0.447 417 Q N -0.436 119.268 119.800 -0.160 0.000 2.398 417 Q HA -0.009 4.331 4.340 0.000 0.000 0.204 417 Q C 0.074 176.000 176.000 -0.123 0.000 0.932 417 Q CA 0.560 56.268 55.803 -0.158 0.000 0.916 417 Q CB 0.280 28.870 28.738 -0.246 0.000 1.024 417 Q HN 0.228 nan 8.270 nan 0.000 0.504 418 K N 1.539 121.873 120.400 -0.109 0.000 2.123 418 K HA 0.285 4.605 4.320 0.000 0.000 0.259 418 K C -2.437 174.148 176.600 -0.026 0.000 0.960 418 K CA -2.199 54.058 56.287 -0.051 0.000 0.872 418 K CB 0.819 33.316 32.500 -0.005 0.000 1.079 418 K HN -0.127 nan 8.250 nan 0.000 0.440 419 P HA 0.106 nan 4.420 nan 0.000 0.276 419 P C -0.525 176.753 177.300 -0.036 0.000 1.244 419 P CA -0.552 62.531 63.100 -0.028 0.000 0.801 419 P CB 0.789 32.472 31.700 -0.029 0.000 1.006 420 V N 3.807 123.693 119.914 -0.048 0.000 2.529 420 V HA 0.033 4.153 4.120 0.000 0.000 0.292 420 V C -1.759 174.257 176.094 -0.130 0.000 1.028 420 V CA -0.842 61.412 62.300 -0.077 0.000 1.074 420 V CB -0.596 31.186 31.823 -0.068 0.000 0.958 420 V HN 0.577 nan 8.190 nan 0.000 0.481 421 P HA 0.021 nan 4.420 nan 0.000 0.258 421 P C 0.903 177.917 177.300 -0.478 0.000 1.172 421 P CA 0.625 63.547 63.100 -0.296 0.000 0.762 421 P CB 0.531 32.025 31.700 -0.345 0.000 0.764 422 G N 2.805 111.428 108.800 -0.294 0.000 2.744 422 G HA2 0.130 4.090 3.960 0.000 0.000 0.211 422 G HA3 0.130 4.090 3.960 0.000 0.000 0.211 422 G C 0.231 175.072 174.900 -0.100 0.000 1.146 422 G CA -0.123 44.849 45.100 -0.214 0.000 0.787 422 G HN 0.545 nan 8.290 nan 0.000 0.534 423 F N 0.000 119.952 119.950 0.003 0.000 2.286 423 F HA 0.000 4.527 4.527 0.000 0.000 0.279 423 F CA 0.000 57.992 58.000 -0.013 0.000 1.383 423 F CB 0.000 38.981 39.000 -0.032 0.000 1.145 423 F HN 0.000 nan 8.300 nan 0.000 0.574