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 2zwi_1_A DATA FIRST_RESID 37 DATA SEQUENCE KNKTIEVYVD RATLPTIQQM TQIINENSNN KKLISWSRYP INDETLLESI DATA SEQUENCE NGSFFKNRPE LIKSLDSMIL TNEIKKVIIN GNTLWAVDVV NIIKSIEALG DATA SEQUENCE KKTEIELNFY DDGSAEYVRL YDFSRLPESE QEYKISLSKD NIQSSINGTQ DATA SEQUENCE PFDNSIENIY GFSQLYPTTY HMLRADIFET NLPLTSLKRV ISNNIKQMKW DATA SEQUENCE DYFTTFNSQQ KNKFYNFTGF NPEKIKEQYK ASPHENFIFI GTNSGTATAE DATA SEQUENCE QQIDILTEAK KPDSPIITNS IQGLDLFFKG HPSATYNQQI IDAHNMIEIY DATA SEQUENCE NKIPFEALIM TDALPDAVGG MGSSVFFSLP NTVENKFIFY KSXXDIENNA DATA SEQUENCE LIQVMIELNI VNRNDVKLIS DL 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 37 K HA 0.000 nan 4.320 nan 0.000 0.191 37 K C 0.000 176.600 176.600 -0.000 0.000 0.988 37 K CA 0.000 56.286 56.287 -0.001 0.000 0.838 37 K CB 0.000 32.499 32.500 -0.001 0.000 1.064 38 N N 0.837 119.537 118.700 -0.000 0.000 2.143 38 N HA 0.112 4.844 4.740 -0.014 0.000 0.229 38 N C -0.738 174.773 175.510 0.001 0.000 1.294 38 N CA -0.500 52.551 53.050 0.001 0.000 0.883 38 N CB 0.500 38.989 38.487 0.002 0.000 1.148 38 N HN 0.244 nan 8.380 nan 0.000 0.511 39 K N 0.504 120.903 120.400 -0.001 0.000 2.143 39 K HA 0.426 4.738 4.320 -0.014 0.000 0.272 39 K C -0.624 175.973 176.600 -0.005 0.000 1.001 39 K CA -0.264 56.022 56.287 -0.001 0.000 0.915 39 K CB 1.309 33.808 32.500 -0.002 0.000 1.047 39 K HN -0.066 nan 8.250 nan 0.000 0.458 40 T N 3.081 117.633 114.554 -0.004 0.000 2.779 40 T HA 0.425 4.767 4.350 -0.014 0.000 0.280 40 T C 0.045 174.738 174.700 -0.013 0.000 0.987 40 T CA -0.583 61.511 62.100 -0.011 0.000 0.966 40 T CB 0.552 69.417 68.868 -0.006 0.000 0.933 40 T HN 0.332 nan 8.240 nan 0.000 0.442 41 I N 2.948 123.499 120.570 -0.030 0.000 2.359 41 I HA 0.328 4.489 4.170 -0.014 0.000 0.294 41 I C 0.316 176.392 176.117 -0.069 0.000 0.987 41 I CA -0.707 60.572 61.300 -0.035 0.000 1.225 41 I CB 1.537 39.509 38.000 -0.047 0.000 1.366 41 I HN 0.534 nan 8.210 nan 0.000 0.466 42 E N 5.323 125.490 120.200 -0.054 0.000 2.156 42 E HA 0.457 4.798 4.350 -0.014 0.000 0.279 42 E C -1.183 175.277 176.600 -0.234 0.000 0.965 42 E CA -0.619 55.686 56.400 -0.157 0.000 0.789 42 E CB 2.433 32.121 29.700 -0.019 0.000 1.098 42 E HN 0.244 nan 8.360 nan 0.000 0.397 43 V N 4.033 123.696 119.914 -0.418 0.000 2.435 43 V HA 0.304 4.416 4.120 -0.014 0.000 0.290 43 V C -1.113 174.645 176.094 -0.559 0.000 1.030 43 V CA -0.677 61.413 62.300 -0.350 0.000 0.881 43 V CB 0.584 32.237 31.823 -0.282 0.000 0.983 43 V HN 0.597 nan 8.190 nan 0.000 0.445 44 Y N 3.778 123.979 120.300 -0.165 0.000 2.326 44 Y HA 0.668 5.210 4.550 -0.014 0.000 0.329 44 Y C -0.085 175.711 175.900 -0.172 0.000 0.973 44 Y CA -0.898 57.130 58.100 -0.119 0.000 1.162 44 Y CB 2.169 40.554 38.460 -0.124 0.000 1.147 44 Y HN 0.508 nan 8.280 nan 0.000 0.456 45 V N -0.425 119.548 119.914 0.097 0.000 2.876 45 V HA 0.930 5.041 4.120 -0.014 0.000 0.312 45 V C -1.410 174.837 176.094 0.256 0.000 1.085 45 V CA -0.633 61.727 62.300 0.101 0.000 0.945 45 V CB 2.337 34.145 31.823 -0.025 0.000 1.017 45 V HN 0.639 nan 8.190 nan 0.000 0.428 46 D N 1.379 121.961 120.400 0.303 0.000 2.706 46 D HA 0.431 5.062 4.640 -0.014 0.000 0.227 46 D C 0.207 176.602 176.300 0.159 0.000 1.233 46 D CA -0.550 53.595 54.000 0.241 0.000 0.768 46 D CB 2.278 43.213 40.800 0.226 0.000 1.490 46 D HN 0.556 nan 8.370 nan 0.000 0.458 47 R N 1.147 121.680 120.500 0.055 0.000 2.254 47 R HA 0.500 4.831 4.340 -0.014 0.000 0.193 47 R C 0.799 177.114 176.300 0.026 0.000 0.929 47 R CA 0.222 56.285 56.100 -0.063 0.000 1.038 47 R CB 0.597 30.651 30.300 -0.410 0.000 1.009 47 R HN 0.336 nan 8.270 nan 0.000 0.512 48 A N 0.561 123.445 122.820 0.107 0.000 3.696 48 A HA 0.281 4.593 4.320 -0.014 0.000 0.156 48 A C 1.221 178.866 177.584 0.101 0.000 1.732 48 A CA 0.431 52.543 52.037 0.125 0.000 1.004 48 A CB -0.038 19.075 19.000 0.189 0.000 1.799 48 A HN 0.154 nan 8.150 nan 0.000 0.665 49 T N -3.327 111.283 114.554 0.094 0.000 3.057 49 T HA 0.096 4.438 4.350 -0.014 0.000 0.254 49 T C 1.636 176.353 174.700 0.028 0.000 0.965 49 T CA 0.784 62.936 62.100 0.086 0.000 0.978 49 T CB -0.512 68.420 68.868 0.106 0.000 1.169 49 T HN 0.442 nan 8.240 nan 0.000 0.489 50 L N 3.004 124.276 121.223 0.081 0.000 1.994 50 L HA 0.210 4.542 4.340 -0.014 0.000 0.208 50 L C -1.053 175.841 176.870 0.039 0.000 1.071 50 L CA 2.002 56.918 54.840 0.127 0.000 0.745 50 L CB -1.302 40.884 42.059 0.211 0.000 0.892 50 L HN 0.072 nan 8.230 nan 0.000 0.431 51 P HA -0.113 nan 4.420 nan 0.000 0.216 51 P C 1.577 178.663 177.300 -0.357 0.000 1.150 51 P CA 1.871 64.912 63.100 -0.099 0.000 0.837 51 P CB -0.204 31.543 31.700 0.079 0.000 0.786 52 T N -0.208 114.119 114.554 -0.378 0.000 2.708 52 T HA -0.110 4.231 4.350 -0.014 0.000 0.266 52 T C 1.714 175.891 174.700 -0.872 0.000 1.037 52 T CA 1.053 62.644 62.100 -0.849 0.000 1.146 52 T CB -0.708 67.628 68.868 -0.886 0.000 0.865 52 T HN -0.034 nan 8.240 nan 0.000 0.435 53 I N 1.445 121.691 120.570 -0.539 0.000 2.226 53 I HA -0.123 4.038 4.170 -0.014 0.000 0.245 53 I C 2.648 178.597 176.117 -0.280 0.000 1.100 53 I CA 1.376 62.461 61.300 -0.359 0.000 1.374 53 I CB -1.199 36.772 38.000 -0.048 0.000 1.057 53 I HN 0.289 nan 8.210 nan 0.000 0.413 54 Q N 0.498 120.100 119.800 -0.330 0.000 2.124 54 Q HA -0.204 4.127 4.340 -0.014 0.000 0.202 54 Q C 2.210 177.875 176.000 -0.558 0.000 0.977 54 Q CA 1.419 56.964 55.803 -0.429 0.000 0.850 54 Q CB -0.205 28.312 28.738 -0.369 0.000 0.901 54 Q HN 0.624 nan 8.270 nan 0.000 0.429 55 Q N -0.195 119.189 119.800 -0.693 0.000 2.046 55 Q HA -0.085 4.246 4.340 -0.014 0.000 0.200 55 Q C 2.209 177.945 176.000 -0.440 0.000 0.975 55 Q CA 1.201 56.698 55.803 -0.511 0.000 0.836 55 Q CB -0.113 28.475 28.738 -0.251 0.000 0.896 55 Q HN 0.351 nan 8.270 nan 0.000 0.428 56 M N -0.116 119.108 119.600 -0.627 0.000 2.082 56 M HA -0.204 4.268 4.480 -0.014 0.000 0.258 56 M C 2.197 178.342 176.300 -0.257 0.000 1.069 56 M CA 1.667 56.557 55.300 -0.683 0.000 1.102 56 M CB -0.462 31.572 32.600 -0.944 0.000 1.336 56 M HN 0.189 nan 8.290 nan 0.000 0.404 57 T N -0.061 114.398 114.554 -0.158 0.000 2.746 57 T HA -0.141 4.200 4.350 -0.014 0.000 0.267 57 T C 1.879 176.467 174.700 -0.188 0.000 1.039 57 T CA 1.026 63.075 62.100 -0.086 0.000 1.142 57 T CB -0.217 68.460 68.868 -0.318 0.000 0.866 57 T HN 0.393 nan 8.240 nan 0.000 0.444 58 Q N 0.516 120.174 119.800 -0.237 0.000 2.084 58 Q HA 0.026 4.358 4.340 -0.014 0.000 0.202 58 Q C 2.485 178.485 176.000 -0.000 0.000 0.978 58 Q CA 1.053 56.803 55.803 -0.087 0.000 0.844 58 Q CB -0.528 28.213 28.738 0.005 0.000 0.898 58 Q HN 0.534 nan 8.270 nan 0.000 0.426 59 I N 0.646 121.181 120.570 -0.058 0.000 2.163 59 I HA -0.312 3.849 4.170 -0.014 0.000 0.243 59 I C 2.308 178.435 176.117 0.016 0.000 1.085 59 I CA 1.213 62.493 61.300 -0.034 0.000 1.347 59 I CB -0.298 37.615 38.000 -0.146 0.000 1.044 59 I HN 0.121 nan 8.210 nan 0.000 0.408 60 I N 0.482 121.065 120.570 0.020 0.000 2.226 60 I HA -0.307 3.855 4.170 -0.014 0.000 0.245 60 I C 2.307 178.335 176.117 -0.147 0.000 1.100 60 I CA 1.574 62.832 61.300 -0.070 0.000 1.374 60 I CB -0.512 37.435 38.000 -0.087 0.000 1.057 60 I HN 0.299 nan 8.210 nan 0.000 0.413 61 N N 0.956 119.681 118.700 0.042 0.000 2.142 61 N HA -0.198 4.533 4.740 -0.014 0.000 0.186 61 N C 1.766 177.349 175.510 0.121 0.000 1.023 61 N CA 1.558 54.736 53.050 0.213 0.000 0.852 61 N CB 0.028 38.758 38.487 0.405 0.000 0.998 61 N HN 0.304 nan 8.380 nan 0.000 0.424 62 E N 0.006 120.263 120.200 0.095 0.000 2.158 62 E HA -0.055 4.287 4.350 -0.014 0.000 0.191 62 E C -0.022 176.606 176.600 0.047 0.000 0.982 62 E CA 0.198 56.649 56.400 0.085 0.000 0.823 62 E CB -0.149 29.611 29.700 0.101 0.000 0.766 62 E HN 0.400 nan 8.360 nan 0.000 0.468 63 N N 1.394 120.106 118.700 0.019 0.000 2.714 63 N HA -0.184 4.548 4.740 -0.014 0.000 0.252 63 N C -0.726 174.795 175.510 0.017 0.000 1.014 63 N CA 0.113 53.162 53.050 -0.002 0.000 0.735 63 N CB -0.496 37.973 38.487 -0.031 0.000 0.924 63 N HN 0.146 nan 8.380 nan 0.000 0.540 64 S N 0.552 116.275 115.700 0.038 0.000 2.617 64 S HA 0.301 4.763 4.470 -0.014 0.000 0.269 64 S C 0.959 175.580 174.600 0.035 0.000 1.292 64 S CA -0.013 58.213 58.200 0.043 0.000 1.010 64 S CB 1.326 64.565 63.200 0.064 0.000 0.944 64 S HN 0.437 nan 8.310 nan 0.000 0.536 65 N N 1.340 120.057 118.700 0.028 0.000 2.235 65 N HA 0.113 4.845 4.740 -0.014 0.000 0.209 65 N C -0.609 174.919 175.510 0.029 0.000 1.122 65 N CA -0.526 52.538 53.050 0.023 0.000 0.845 65 N CB -0.437 38.057 38.487 0.012 0.000 1.004 65 N HN 0.420 nan 8.380 nan 0.000 0.499 66 N N 1.379 120.102 118.700 0.039 0.000 2.441 66 N HA -0.048 4.684 4.740 -0.014 0.000 0.251 66 N C 0.144 175.683 175.510 0.048 0.000 1.242 66 N CA 0.072 53.145 53.050 0.040 0.000 0.898 66 N CB 0.629 39.143 38.487 0.044 0.000 1.100 66 N HN 0.266 nan 8.380 nan 0.000 0.443 67 K N 1.547 121.969 120.400 0.038 0.000 2.448 67 K HA 0.027 4.338 4.320 -0.014 0.000 0.278 67 K C -0.618 176.021 176.600 0.066 0.000 1.009 67 K CA 0.525 56.838 56.287 0.044 0.000 0.995 67 K CB 0.340 32.859 32.500 0.031 0.000 0.917 67 K HN 0.347 nan 8.250 nan 0.000 0.481 68 K N 4.500 124.954 120.400 0.089 0.000 2.345 68 K HA 0.416 4.728 4.320 -0.014 0.000 0.255 68 K C -0.953 175.720 176.600 0.123 0.000 0.934 68 K CA -0.660 55.711 56.287 0.140 0.000 0.801 68 K CB 1.412 34.026 32.500 0.190 0.000 1.137 68 K HN 0.416 nan 8.250 nan 0.000 0.424 69 L N 4.881 126.173 121.223 0.115 0.000 2.305 69 L HA 0.569 4.900 4.340 -0.014 0.000 0.284 69 L C -0.591 176.305 176.870 0.044 0.000 1.013 69 L CA -0.752 54.181 54.840 0.155 0.000 0.819 69 L CB 0.867 42.950 42.059 0.041 0.000 1.227 69 L HN 0.475 nan 8.230 nan 0.000 0.417 70 I N 2.153 122.712 120.570 -0.018 0.000 2.498 70 I HA 0.376 4.537 4.170 -0.014 0.000 0.290 70 I C -0.224 175.513 176.117 -0.633 0.000 1.032 70 I CA -0.301 60.761 61.300 -0.397 0.000 1.073 70 I CB 2.229 39.872 38.000 -0.594 0.000 1.251 70 I HN 0.485 nan 8.210 nan 0.000 0.426 71 S N 6.368 121.672 115.700 -0.660 0.000 2.620 71 S HA 0.440 4.902 4.470 -0.014 0.000 0.244 71 S C -1.825 172.650 174.600 -0.209 0.000 1.192 71 S CA -0.475 57.355 58.200 -0.617 0.000 1.148 71 S CB 0.445 63.438 63.200 -0.344 0.000 1.106 71 S HN 0.466 nan 8.310 nan 0.000 0.474 72 W N 3.090 124.445 121.300 0.092 0.000 2.361 72 W HA 0.372 5.023 4.660 -0.015 0.000 0.314 72 W C 1.150 177.822 176.519 0.254 0.000 1.041 72 W CA -1.186 56.292 57.345 0.222 0.000 1.241 72 W CB 0.984 30.636 29.460 0.319 0.000 1.279 72 W HN 0.547 nan 8.180 nan 0.000 0.436 73 S N 2.265 118.155 115.700 0.318 0.000 2.370 73 S HA -0.176 4.285 4.470 -0.014 0.000 0.226 73 S C 1.740 176.436 174.600 0.160 0.000 1.033 73 S CA 1.187 59.497 58.200 0.182 0.000 1.011 73 S CB 0.113 63.349 63.200 0.060 0.000 0.852 73 S HN 0.351 nan 8.310 nan 0.000 0.457 74 R N -0.493 120.096 120.500 0.148 0.000 2.300 74 R HA 0.190 4.522 4.340 -0.014 0.000 0.199 74 R C -0.488 175.657 176.300 -0.259 0.000 0.920 74 R CA 0.329 56.396 56.100 -0.055 0.000 1.046 74 R CB 0.097 30.340 30.300 -0.095 0.000 0.984 74 R HN 0.425 nan 8.270 nan 0.000 0.493 75 Y N 1.516 121.918 120.300 0.169 0.000 2.584 75 Y HA 0.274 4.815 4.550 -0.014 0.000 0.358 75 Y C -2.219 173.763 175.900 0.136 0.000 1.028 75 Y CA -2.760 55.425 58.100 0.142 0.000 1.148 75 Y CB 1.224 39.734 38.460 0.083 0.000 1.126 75 Y HN -0.076 nan 8.280 nan 0.000 0.658 76 P HA 0.102 nan 4.420 nan 0.000 0.271 76 P C -0.313 176.617 177.300 -0.617 0.000 1.226 76 P CA 0.278 63.108 63.100 -0.451 0.000 0.765 76 P CB 1.289 32.928 31.700 -0.102 0.000 0.835 77 I N 4.180 123.990 120.570 -1.266 0.000 2.330 77 I HA 0.193 4.354 4.170 -0.014 0.000 0.286 77 I C 0.889 176.755 176.117 -0.418 0.000 1.025 77 I CA -0.330 60.639 61.300 -0.551 0.000 1.197 77 I CB 0.211 38.053 38.000 -0.263 0.000 1.358 77 I HN 0.312 nan 8.210 nan 0.000 0.467 78 N N 2.735 121.303 118.700 -0.220 0.000 2.205 78 N HA -0.022 4.710 4.740 -0.014 0.000 0.201 78 N C 0.178 175.632 175.510 -0.093 0.000 1.128 78 N CA -0.178 52.794 53.050 -0.130 0.000 0.867 78 N CB 0.424 38.856 38.487 -0.092 0.000 0.996 78 N HN 0.467 nan 8.380 nan 0.000 0.503 79 D N 1.511 121.853 120.400 -0.097 0.000 2.359 79 D HA 0.005 4.636 4.640 -0.014 0.000 0.250 79 D C 0.708 176.955 176.300 -0.088 0.000 1.264 79 D CA 0.218 54.166 54.000 -0.087 0.000 0.911 79 D CB 0.574 41.316 40.800 -0.097 0.000 1.056 79 D HN 0.040 nan 8.370 nan 0.000 0.499 80 E N 1.971 122.127 120.200 -0.073 0.000 2.152 80 E HA -0.087 4.255 4.350 -0.014 0.000 0.192 80 E C 1.598 178.155 176.600 -0.071 0.000 0.983 80 E CA 0.828 57.188 56.400 -0.067 0.000 0.818 80 E CB -0.000 29.667 29.700 -0.054 0.000 0.758 80 E HN 0.535 nan 8.360 nan 0.000 0.467 81 T N 2.145 116.654 114.554 -0.076 0.000 2.708 81 T HA -0.161 4.181 4.350 -0.014 0.000 0.266 81 T C 1.977 176.611 174.700 -0.111 0.000 1.037 81 T CA 1.026 63.077 62.100 -0.081 0.000 1.146 81 T CB -0.348 68.475 68.868 -0.076 0.000 0.865 81 T HN 0.050 nan 8.240 nan 0.000 0.435 82 L N 0.991 122.126 121.223 -0.147 0.000 1.989 82 L HA -0.023 4.308 4.340 -0.014 0.000 0.211 82 L C 2.244 178.999 176.870 -0.191 0.000 1.071 82 L CA 1.656 56.357 54.840 -0.232 0.000 0.749 82 L CB -0.751 41.119 42.059 -0.315 0.000 0.890 82 L HN 0.238 nan 8.230 nan 0.000 0.431 83 L N -0.800 120.351 121.223 -0.121 0.000 2.046 83 L HA -0.234 4.097 4.340 -0.014 0.000 0.208 83 L C 2.523 179.363 176.870 -0.050 0.000 1.077 83 L CA 1.587 56.392 54.840 -0.060 0.000 0.747 83 L CB -0.577 41.459 42.059 -0.039 0.000 0.896 83 L HN 0.368 nan 8.230 nan 0.000 0.432 84 E N -0.325 119.839 120.200 -0.060 0.000 2.150 84 E HA -0.188 4.154 4.350 -0.014 0.000 0.193 84 E C 2.253 178.823 176.600 -0.049 0.000 0.985 84 E CA 1.376 57.748 56.400 -0.047 0.000 0.814 84 E CB -0.010 29.662 29.700 -0.047 0.000 0.752 84 E HN 0.517 nan 8.360 nan 0.000 0.466 85 S N 0.888 116.544 115.700 -0.073 0.000 2.447 85 S HA -0.110 4.352 4.470 -0.014 0.000 0.233 85 S C 1.918 176.484 174.600 -0.056 0.000 1.006 85 S CA 0.882 59.036 58.200 -0.076 0.000 0.957 85 S CB -0.478 62.654 63.200 -0.112 0.000 0.773 85 S HN 0.462 nan 8.310 nan 0.000 0.507 86 I N -2.713 117.834 120.570 -0.039 0.000 4.018 86 I HA 0.429 4.590 4.170 -0.014 0.000 0.337 86 I C 0.363 176.493 176.117 0.022 0.000 1.327 86 I CA -0.183 61.121 61.300 0.008 0.000 1.100 86 I CB -0.355 37.686 38.000 0.068 0.000 1.025 86 I HN 0.144 nan 8.210 nan 0.000 0.396 87 N N 2.315 121.019 118.700 0.006 0.000 2.758 87 N HA -0.125 4.607 4.740 -0.014 0.000 0.248 87 N C -0.101 175.425 175.510 0.027 0.000 1.076 87 N CA 0.895 53.953 53.050 0.013 0.000 0.696 87 N CB -1.172 37.326 38.487 0.018 0.000 0.979 87 N HN 0.805 nan 8.380 nan 0.000 0.550 88 G N -1.051 107.762 108.800 0.021 0.000 2.454 88 G HA2 0.701 4.652 3.960 -0.014 0.000 0.329 88 G HA3 0.701 4.652 3.960 -0.014 0.000 0.329 88 G C -0.905 173.992 174.900 -0.004 0.000 1.177 88 G CA -0.230 44.887 45.100 0.028 0.000 0.951 88 G HN 0.226 nan 8.290 nan 0.000 0.485 89 S N -0.430 115.260 115.700 -0.016 0.000 2.500 89 S HA 0.573 5.035 4.470 -0.014 0.000 0.301 89 S C -1.380 173.068 174.600 -0.253 0.000 1.092 89 S CA -0.398 57.702 58.200 -0.167 0.000 1.030 89 S CB 1.547 64.611 63.200 -0.226 0.000 1.031 89 S HN 0.485 nan 8.310 nan 0.000 0.483 90 F N 2.765 122.417 119.950 -0.496 0.000 2.421 90 F HA 0.711 5.230 4.527 -0.014 0.000 0.337 90 F C -1.402 173.991 175.800 -0.678 0.000 1.105 90 F CA -0.972 56.778 58.000 -0.418 0.000 1.049 90 F CB 0.614 39.482 39.000 -0.220 0.000 1.139 90 F HN 0.465 nan 8.300 nan 0.000 0.479 91 F N 4.652 124.147 119.950 -0.759 0.000 2.529 91 F HA 0.400 4.919 4.527 -0.014 0.000 0.320 91 F C 0.780 176.237 175.800 -0.572 0.000 1.118 91 F CA -0.830 56.896 58.000 -0.457 0.000 0.915 91 F CB 2.038 40.829 39.000 -0.348 0.000 1.161 91 F HN 0.422 nan 8.300 nan 0.000 0.445 92 K N 1.067 121.448 120.400 -0.032 0.000 2.288 92 K HA -0.057 4.254 4.320 -0.014 0.000 0.201 92 K C -0.185 176.413 176.600 -0.004 0.000 1.048 92 K CA 0.917 57.233 56.287 0.050 0.000 0.956 92 K CB -0.132 32.434 32.500 0.111 0.000 0.746 92 K HN 0.731 nan 8.250 nan 0.000 0.461 93 N N -2.139 116.548 118.700 -0.021 0.000 2.610 93 N HA 0.148 4.880 4.740 -0.014 0.000 0.264 93 N C -0.121 175.336 175.510 -0.088 0.000 1.348 93 N CA -0.957 52.065 53.050 -0.047 0.000 0.819 93 N CB 0.953 39.425 38.487 -0.024 0.000 1.521 93 N HN -0.312 nan 8.380 nan 0.000 0.497 94 R N -0.364 120.074 120.500 -0.102 0.000 2.083 94 R HA -0.011 4.320 4.340 -0.014 0.000 0.237 94 R C -0.881 175.331 176.300 -0.146 0.000 1.137 94 R CA 1.753 57.773 56.100 -0.134 0.000 0.951 94 R CB -1.102 29.135 30.300 -0.105 0.000 0.851 94 R HN 0.602 nan 8.270 nan 0.000 0.434 95 P HA -0.135 nan 4.420 nan 0.000 0.218 95 P C 0.523 177.750 177.300 -0.123 0.000 1.149 95 P CA 1.217 64.258 63.100 -0.098 0.000 0.817 95 P CB -0.006 31.659 31.700 -0.058 0.000 0.785 96 E N 0.024 120.160 120.200 -0.107 0.000 2.072 96 E HA -0.108 4.234 4.350 -0.014 0.000 0.191 96 E C 2.176 178.548 176.600 -0.380 0.000 0.985 96 E CA 0.553 56.898 56.400 -0.093 0.000 0.801 96 E CB -1.056 28.698 29.700 0.089 0.000 0.750 96 E HN 0.274 nan 8.360 nan 0.000 0.452 97 L N 0.567 121.424 121.223 -0.610 0.000 2.017 97 L HA -0.153 4.179 4.340 -0.014 0.000 0.208 97 L C 2.348 178.800 176.870 -0.696 0.000 1.073 97 L CA 1.117 55.254 54.840 -1.172 0.000 0.745 97 L CB -0.185 41.413 42.059 -0.768 0.000 0.894 97 L HN 0.054 nan 8.230 nan 0.000 0.432 98 I N -0.038 120.293 120.570 -0.399 0.000 2.226 98 I HA -0.334 3.828 4.170 -0.014 0.000 0.245 98 I C 2.569 178.553 176.117 -0.220 0.000 1.100 98 I CA 1.450 62.592 61.300 -0.263 0.000 1.374 98 I CB -0.224 37.668 38.000 -0.179 0.000 1.057 98 I HN 0.262 nan 8.210 nan 0.000 0.413 99 K N 0.812 121.090 120.400 -0.204 0.000 2.032 99 K HA -0.167 4.144 4.320 -0.014 0.000 0.209 99 K C 2.149 178.670 176.600 -0.132 0.000 1.048 99 K CA 1.988 58.194 56.287 -0.134 0.000 0.927 99 K CB -0.177 32.268 32.500 -0.091 0.000 0.712 99 K HN 0.107 nan 8.250 nan 0.000 0.441 100 S N 0.525 116.105 115.700 -0.201 0.000 2.387 100 S HA -0.028 4.434 4.470 -0.014 0.000 0.226 100 S C 1.664 176.183 174.600 -0.134 0.000 1.026 100 S CA 0.884 59.008 58.200 -0.128 0.000 0.972 100 S CB -0.272 62.875 63.200 -0.088 0.000 0.814 100 S HN 0.306 nan 8.310 nan 0.000 0.477 101 L N 1.662 122.754 121.223 -0.218 0.000 1.989 101 L HA -0.212 4.119 4.340 -0.014 0.000 0.211 101 L C 1.865 178.670 176.870 -0.107 0.000 1.071 101 L CA 1.840 56.582 54.840 -0.163 0.000 0.749 101 L CB -0.641 41.298 42.059 -0.200 0.000 0.890 101 L HN 0.238 nan 8.230 nan 0.000 0.431 102 D N -0.427 119.909 120.400 -0.106 0.000 2.123 102 D HA -0.175 4.457 4.640 -0.014 0.000 0.196 102 D C 2.358 178.627 176.300 -0.052 0.000 0.992 102 D CA 1.665 55.621 54.000 -0.073 0.000 0.833 102 D CB -0.152 40.606 40.800 -0.070 0.000 0.954 102 D HN 0.460 nan 8.370 nan 0.000 0.455 103 S N -0.006 115.666 115.700 -0.048 0.000 2.383 103 S HA -0.137 4.324 4.470 -0.014 0.000 0.227 103 S C 2.124 176.710 174.600 -0.023 0.000 1.026 103 S CA 0.745 58.928 58.200 -0.029 0.000 0.981 103 S CB -0.402 62.787 63.200 -0.019 0.000 0.818 103 S HN 0.190 nan 8.310 nan 0.000 0.472 104 M N 0.989 120.573 119.600 -0.027 0.000 2.086 104 M HA 0.006 4.477 4.480 -0.014 0.000 0.261 104 M C 2.248 178.534 176.300 -0.024 0.000 1.067 104 M CA 1.641 56.928 55.300 -0.021 0.000 1.116 104 M CB -0.731 31.856 32.600 -0.023 0.000 1.348 104 M HN 0.302 nan 8.290 nan 0.000 0.407 105 I N 0.306 120.856 120.570 -0.033 0.000 2.361 105 I HA -0.277 3.884 4.170 -0.014 0.000 0.251 105 I C 2.139 178.244 176.117 -0.021 0.000 1.133 105 I CA 1.046 62.328 61.300 -0.029 0.000 1.413 105 I CB -0.324 37.654 38.000 -0.037 0.000 1.073 105 I HN 0.294 nan 8.210 nan 0.000 0.424 106 L N 0.461 121.672 121.223 -0.021 0.000 2.362 106 L HA -0.144 4.187 4.340 -0.014 0.000 0.219 106 L C 2.591 179.454 176.870 -0.011 0.000 1.134 106 L CA 1.496 56.327 54.840 -0.015 0.000 0.807 106 L CB -0.919 41.130 42.059 -0.016 0.000 0.927 106 L HN 0.462 nan 8.230 nan 0.000 0.447 107 T N -4.014 110.534 114.554 -0.011 0.000 3.072 107 T HA -0.086 4.256 4.350 -0.014 0.000 0.266 107 T C 0.947 175.643 174.700 -0.007 0.000 1.127 107 T CA 0.953 63.049 62.100 -0.007 0.000 1.107 107 T CB -0.300 68.564 68.868 -0.006 0.000 0.910 107 T HN 0.479 nan 8.240 nan 0.000 0.513 108 N N 0.479 119.174 118.700 -0.008 0.000 2.909 108 N HA -0.158 4.574 4.740 -0.014 0.000 0.242 108 N C 0.428 175.935 175.510 -0.006 0.000 0.975 108 N CA 1.140 54.186 53.050 -0.006 0.000 0.921 108 N CB -1.197 37.287 38.487 -0.005 0.000 1.112 108 N HN 0.635 nan 8.380 nan 0.000 0.581 109 E N -0.201 119.995 120.200 -0.006 0.000 2.474 109 E HA 0.083 4.424 4.350 -0.014 0.000 0.195 109 E C -0.159 176.437 176.600 -0.007 0.000 1.039 109 E CA 0.190 56.587 56.400 -0.005 0.000 0.881 109 E CB 0.563 30.261 29.700 -0.004 0.000 0.970 109 E HN 0.308 nan 8.360 nan 0.000 0.486 110 I N 2.259 122.823 120.570 -0.010 0.000 2.291 110 I HA 0.050 4.211 4.170 -0.014 0.000 0.290 110 I C 1.168 177.278 176.117 -0.011 0.000 1.050 110 I CA -0.100 61.192 61.300 -0.013 0.000 1.245 110 I CB 1.089 39.076 38.000 -0.022 0.000 1.405 110 I HN -0.067 nan 8.210 nan 0.000 0.478 111 K N 6.764 127.159 120.400 -0.008 0.000 2.031 111 K HA -0.038 4.274 4.320 -0.014 0.000 0.205 111 K C 0.505 177.101 176.600 -0.007 0.000 1.049 111 K CA 1.521 57.805 56.287 -0.005 0.000 0.939 111 K CB 0.337 32.836 32.500 -0.002 0.000 0.717 111 K HN 0.494 nan 8.250 nan 0.000 0.438 112 K N -0.557 119.835 120.400 -0.015 0.000 2.502 112 K HA 0.431 4.742 4.320 -0.014 0.000 0.257 112 K C -1.831 174.743 176.600 -0.043 0.000 0.938 112 K CA -0.923 55.351 56.287 -0.022 0.000 0.819 112 K CB 2.323 34.813 32.500 -0.015 0.000 1.333 112 K HN -0.112 nan 8.250 nan 0.000 0.434 113 V N 4.948 124.824 119.914 -0.063 0.000 2.444 113 V HA 0.453 4.564 4.120 -0.014 0.000 0.294 113 V C -0.431 175.584 176.094 -0.131 0.000 1.022 113 V CA -0.750 61.489 62.300 -0.102 0.000 0.850 113 V CB 1.421 33.172 31.823 -0.120 0.000 0.992 113 V HN 0.649 nan 8.190 nan 0.000 0.426 114 I N 6.039 126.516 120.570 -0.154 0.000 2.304 114 I HA 0.448 4.609 4.170 -0.014 0.000 0.291 114 I C -0.419 175.520 176.117 -0.297 0.000 1.018 114 I CA -0.216 60.967 61.300 -0.196 0.000 1.260 114 I CB 1.149 39.054 38.000 -0.158 0.000 1.390 114 I HN 0.434 nan 8.210 nan 0.000 0.475 115 I N 6.412 126.784 120.570 -0.329 0.000 2.321 115 I HA 0.268 4.430 4.170 -0.014 0.000 0.291 115 I C -0.511 175.344 176.117 -0.437 0.000 0.998 115 I CA -0.397 60.668 61.300 -0.392 0.000 1.227 115 I CB 0.909 38.675 38.000 -0.391 0.000 1.368 115 I HN 0.544 nan 8.210 nan 0.000 0.466 116 N N 4.321 122.770 118.700 -0.418 0.000 2.417 116 N HA 0.702 5.433 4.740 -0.014 0.000 0.274 116 N C -0.148 175.284 175.510 -0.130 0.000 0.987 116 N CA -0.406 52.496 53.050 -0.247 0.000 0.912 116 N CB 2.080 40.434 38.487 -0.221 0.000 1.177 116 N HN 0.785 nan 8.380 nan 0.000 0.490 117 G N 0.441 109.175 108.800 -0.110 0.000 2.975 117 G HA2 0.308 4.259 3.960 -0.014 0.000 0.291 117 G HA3 0.308 4.259 3.960 -0.014 0.000 0.291 117 G C -1.446 173.579 174.900 0.209 0.000 1.334 117 G CA -0.494 44.599 45.100 -0.012 0.000 0.843 117 G HN 0.473 nan 8.290 nan 0.000 0.548 118 N N -0.305 118.560 118.700 0.275 0.000 2.417 118 N HA 0.248 4.979 4.740 -0.014 0.000 0.274 118 N C 1.170 176.904 175.510 0.373 0.000 0.987 118 N CA -0.178 53.082 53.050 0.351 0.000 0.912 118 N CB 1.742 40.456 38.487 0.380 0.000 1.177 118 N HN 0.280 nan 8.380 nan 0.000 0.490 119 T N 3.160 117.900 114.554 0.311 0.000 2.652 119 T HA -0.181 4.160 4.350 -0.014 0.000 0.267 119 T C 1.825 176.473 174.700 -0.088 0.000 1.039 119 T CA 1.141 63.280 62.100 0.065 0.000 1.153 119 T CB -0.156 68.660 68.868 -0.087 0.000 0.863 119 T HN 0.439 nan 8.240 nan 0.000 0.428 120 L N -0.414 120.748 121.223 -0.102 0.000 2.043 120 L HA -0.026 4.305 4.340 -0.014 0.000 0.212 120 L C 1.091 177.755 176.870 -0.344 0.000 1.075 120 L CA 1.475 56.137 54.840 -0.297 0.000 0.752 120 L CB -0.595 41.214 42.059 -0.417 0.000 0.891 120 L HN 0.436 nan 8.230 nan 0.000 0.432 121 W N -1.147 120.212 121.300 0.098 0.000 3.121 121 W HA 0.438 5.091 4.660 -0.013 0.000 0.441 121 W C 1.760 178.334 176.519 0.093 0.000 0.878 121 W CA -0.017 57.392 57.345 0.107 0.000 2.101 121 W CB -0.467 29.049 29.460 0.093 0.000 1.067 121 W HN 0.158 nan 8.180 nan 0.000 0.834 122 A N -0.099 122.849 122.820 0.213 0.000 2.084 122 A HA -0.209 4.103 4.320 -0.014 0.000 0.221 122 A C 2.058 179.579 177.584 -0.104 0.000 1.161 122 A CA 1.785 53.869 52.037 0.079 0.000 0.653 122 A CB -0.622 18.291 19.000 -0.145 0.000 0.802 122 A HN 0.300 nan 8.150 nan 0.000 0.457 123 V N 0.510 120.421 119.914 -0.005 0.000 2.380 123 V HA -0.299 3.812 4.120 -0.014 0.000 0.251 123 V C 1.961 178.063 176.094 0.013 0.000 1.063 123 V CA 2.851 65.138 62.300 -0.022 0.000 1.055 123 V CB -0.631 31.372 31.823 0.301 0.000 0.657 123 V HN 0.613 nan 8.190 nan 0.000 0.455 124 D N -0.326 120.124 120.400 0.083 0.000 2.117 124 D HA -0.142 4.489 4.640 -0.014 0.000 0.197 124 D C 2.125 178.394 176.300 -0.052 0.000 0.987 124 D CA 1.834 55.845 54.000 0.019 0.000 0.829 124 D CB -0.514 40.306 40.800 0.033 0.000 0.961 124 D HN 0.542 nan 8.370 nan 0.000 0.460 125 V N 0.243 120.113 119.914 -0.074 0.000 2.548 125 V HA -0.165 3.947 4.120 -0.014 0.000 0.249 125 V C 2.237 178.255 176.094 -0.127 0.000 1.055 125 V CA 1.134 63.336 62.300 -0.163 0.000 1.065 125 V CB -0.372 31.257 31.823 -0.324 0.000 0.681 125 V HN -0.002 nan 8.190 nan 0.000 0.462 126 V N 1.694 121.552 119.914 -0.094 0.000 2.282 126 V HA -0.298 3.814 4.120 -0.014 0.000 0.249 126 V C 2.615 178.687 176.094 -0.037 0.000 1.057 126 V CA 2.820 65.094 62.300 -0.042 0.000 1.032 126 V CB -1.137 30.587 31.823 -0.165 0.000 0.645 126 V HN 0.675 nan 8.190 nan 0.000 0.447 127 N N -0.357 118.315 118.700 -0.046 0.000 2.244 127 N HA -0.039 4.693 4.740 -0.014 0.000 0.183 127 N C 1.786 177.256 175.510 -0.067 0.000 1.016 127 N CA 1.437 54.464 53.050 -0.038 0.000 0.866 127 N CB -0.080 38.391 38.487 -0.027 0.000 0.980 127 N HN 0.460 nan 8.380 nan 0.000 0.430 128 I N 1.131 121.641 120.570 -0.099 0.000 2.202 128 I HA -0.204 3.958 4.170 -0.014 0.000 0.242 128 I C 2.140 178.182 176.117 -0.125 0.000 1.091 128 I CA 0.824 62.046 61.300 -0.130 0.000 1.368 128 I CB -0.160 37.737 38.000 -0.171 0.000 1.058 128 I HN 0.005 nan 8.210 nan 0.000 0.410 129 I N 0.795 121.287 120.570 -0.130 0.000 2.163 129 I HA -0.347 3.814 4.170 -0.014 0.000 0.243 129 I C 2.623 178.711 176.117 -0.048 0.000 1.085 129 I CA 1.518 62.742 61.300 -0.128 0.000 1.347 129 I CB -0.449 37.457 38.000 -0.157 0.000 1.044 129 I HN 0.187 nan 8.210 nan 0.000 0.408 130 K N 0.687 121.075 120.400 -0.020 0.000 2.059 130 K HA -0.279 4.033 4.320 -0.014 0.000 0.212 130 K C 2.348 178.940 176.600 -0.014 0.000 1.050 130 K CA 2.221 58.509 56.287 0.002 0.000 0.927 130 K CB -0.240 32.264 32.500 0.006 0.000 0.714 130 K HN 0.169 nan 8.250 nan 0.000 0.447 131 S N -0.040 115.638 115.700 -0.038 0.000 2.368 131 S HA -0.078 4.384 4.470 -0.014 0.000 0.224 131 S C 1.896 176.470 174.600 -0.045 0.000 1.029 131 S CA 1.254 59.426 58.200 -0.046 0.000 0.988 131 S CB -0.286 62.873 63.200 -0.069 0.000 0.838 131 S HN 0.369 nan 8.310 nan 0.000 0.462 132 I N 1.580 122.117 120.570 -0.055 0.000 2.142 132 I HA -0.141 4.020 4.170 -0.014 0.000 0.240 132 I C 2.687 178.794 176.117 -0.017 0.000 1.078 132 I CA 1.346 62.617 61.300 -0.047 0.000 1.343 132 I CB -0.427 37.532 38.000 -0.068 0.000 1.046 132 I HN 0.301 nan 8.210 nan 0.000 0.405 133 E N 1.057 121.259 120.200 0.003 0.000 2.110 133 E HA -0.218 4.123 4.350 -0.014 0.000 0.193 133 E C 2.345 178.956 176.600 0.018 0.000 0.988 133 E CA 1.425 57.843 56.400 0.031 0.000 0.804 133 E CB -0.332 29.407 29.700 0.064 0.000 0.745 133 E HN 0.525 nan 8.360 nan 0.000 0.458 134 A N 1.619 124.443 122.820 0.008 0.000 1.917 134 A HA -0.177 4.135 4.320 -0.014 0.000 0.219 134 A C 2.366 179.950 177.584 -0.001 0.000 1.182 134 A CA 1.257 53.296 52.037 0.003 0.000 0.633 134 A CB -0.828 18.170 19.000 -0.003 0.000 0.819 134 A HN 0.198 nan 8.150 nan 0.000 0.448 135 L N -1.012 120.207 121.223 -0.007 0.000 2.265 135 L HA -0.040 4.291 4.340 -0.014 0.000 0.215 135 L C 1.786 178.654 176.870 -0.003 0.000 1.117 135 L CA 0.641 55.475 54.840 -0.009 0.000 0.782 135 L CB -0.902 41.147 42.059 -0.017 0.000 0.914 135 L HN 0.630 nan 8.230 nan 0.000 0.441 136 G N 0.378 109.179 108.800 0.002 0.000 2.273 136 G HA2 -0.284 3.667 3.960 -0.014 0.000 0.280 136 G HA3 -0.284 3.667 3.960 -0.014 0.000 0.280 136 G C 0.714 175.616 174.900 0.004 0.000 1.047 136 G CA 0.243 45.346 45.100 0.006 0.000 0.869 136 G HN 0.287 nan 8.290 nan 0.000 0.502 137 K N 0.099 120.500 120.400 0.002 0.000 2.397 137 K HA 0.123 4.435 4.320 -0.014 0.000 0.202 137 K C 1.109 177.711 176.600 0.003 0.000 1.022 137 K CA -0.171 56.116 56.287 -0.000 0.000 1.141 137 K CB 0.233 32.729 32.500 -0.006 0.000 0.857 137 K HN 0.394 nan 8.250 nan 0.000 0.514 138 K N 0.839 121.244 120.400 0.009 0.000 3.150 138 K HA -0.106 4.205 4.320 -0.014 0.000 0.267 138 K C -0.664 175.945 176.600 0.015 0.000 1.028 138 K CA 0.669 56.965 56.287 0.014 0.000 0.753 138 K CB -2.596 29.910 32.500 0.010 0.000 1.288 138 K HN 0.168 nan 8.250 nan 0.000 0.473 139 T N 1.264 115.827 114.554 0.015 0.000 2.832 139 T HA 0.177 4.518 4.350 -0.014 0.000 0.296 139 T C 0.607 175.322 174.700 0.026 0.000 0.968 139 T CA -0.484 61.621 62.100 0.009 0.000 1.107 139 T CB 1.110 69.973 68.868 -0.008 0.000 0.916 139 T HN 0.080 nan 8.240 nan 0.000 0.517 140 E N 2.231 122.443 120.200 0.021 0.000 2.360 140 E HA 0.291 4.632 4.350 -0.014 0.000 0.269 140 E C -0.401 176.214 176.600 0.025 0.000 1.022 140 E CA -0.031 56.392 56.400 0.038 0.000 0.887 140 E CB 0.654 30.370 29.700 0.026 0.000 0.990 140 E HN 0.492 nan 8.360 nan 0.000 0.426 141 I N 2.755 123.365 120.570 0.068 0.000 2.465 141 I HA 0.244 4.405 4.170 -0.014 0.000 0.291 141 I C -0.167 175.959 176.117 0.016 0.000 1.014 141 I CA -0.390 60.900 61.300 -0.017 0.000 1.093 141 I CB 1.619 39.529 38.000 -0.151 0.000 1.267 141 I HN 0.405 nan 8.210 nan 0.000 0.431 142 E N 6.490 126.650 120.200 -0.067 0.000 2.288 142 E HA 0.696 5.038 4.350 -0.014 0.000 0.268 142 E C -1.424 175.079 176.600 -0.162 0.000 0.885 142 E CA -0.862 55.505 56.400 -0.055 0.000 0.767 142 E CB 3.126 32.805 29.700 -0.034 0.000 1.220 142 E HN 0.383 nan 8.360 nan 0.000 0.427 143 L N 1.993 123.115 121.223 -0.167 0.000 2.386 143 L HA 0.495 4.827 4.340 -0.014 0.000 0.271 143 L C -0.837 175.835 176.870 -0.330 0.000 0.993 143 L CA -0.814 53.816 54.840 -0.350 0.000 0.819 143 L CB 1.741 43.568 42.059 -0.387 0.000 1.294 143 L HN 0.447 nan 8.230 nan 0.000 0.414 144 N N 2.387 120.837 118.700 -0.417 0.000 2.483 144 N HA 0.539 5.270 4.740 -0.014 0.000 0.267 144 N C -1.459 173.800 175.510 -0.418 0.000 0.998 144 N CA -0.347 52.544 53.050 -0.266 0.000 0.918 144 N CB 1.447 39.897 38.487 -0.063 0.000 1.215 144 N HN 0.285 nan 8.380 nan 0.000 0.500 145 F N 2.124 121.927 119.950 -0.246 0.000 2.415 145 F HA 0.400 4.919 4.527 -0.013 0.000 0.348 145 F C -0.396 175.364 175.800 -0.067 0.000 1.119 145 F CA -0.519 57.407 58.000 -0.124 0.000 1.069 145 F CB 0.710 39.618 39.000 -0.153 0.000 1.124 145 F HN 0.342 nan 8.300 nan 0.000 0.472 146 Y N 1.853 122.319 120.300 0.277 0.000 2.335 146 Y HA 0.275 4.817 4.550 -0.013 0.000 0.338 146 Y C 0.169 176.223 175.900 0.257 0.000 0.977 146 Y CA -1.324 56.923 58.100 0.245 0.000 1.114 146 Y CB 0.691 39.211 38.460 0.099 0.000 1.182 146 Y HN 0.488 nan 8.280 nan 0.000 0.463 147 D N 2.173 122.813 120.400 0.400 0.000 2.506 147 D HA -0.144 4.488 4.640 -0.014 0.000 0.234 147 D C 0.916 177.385 176.300 0.282 0.000 1.143 147 D CA 0.578 54.768 54.000 0.318 0.000 0.871 147 D CB 0.832 41.866 40.800 0.391 0.000 1.190 147 D HN 0.717 nan 8.370 nan 0.000 0.459 148 D N 1.009 121.532 120.400 0.205 0.000 2.162 148 D HA -0.027 4.604 4.640 -0.014 0.000 0.203 148 D C 0.872 177.270 176.300 0.164 0.000 0.967 148 D CA 1.107 55.224 54.000 0.194 0.000 0.840 148 D CB 0.629 41.524 40.800 0.159 0.000 0.972 148 D HN 0.568 nan 8.370 nan 0.000 0.482 149 G N -0.274 108.603 108.800 0.128 0.000 2.491 149 G HA2 -0.089 3.863 3.960 -0.014 0.000 0.183 149 G HA3 -0.089 3.863 3.960 -0.014 0.000 0.183 149 G C 0.607 175.442 174.900 -0.108 0.000 1.221 149 G CA 0.522 45.651 45.100 0.047 0.000 0.996 149 G HN 0.148 nan 8.290 nan 0.000 0.474 150 S N 0.452 116.010 115.700 -0.236 0.000 2.423 150 S HA 0.209 4.670 4.470 -0.014 0.000 0.231 150 S C 2.537 177.050 174.600 -0.146 0.000 1.014 150 S CA 1.926 59.849 58.200 -0.463 0.000 0.965 150 S CB -0.425 62.685 63.200 -0.150 0.000 0.785 150 S HN 1.878 nan 8.310 nan 0.000 0.495 151 A N 2.011 124.802 122.820 -0.050 0.000 1.883 151 A HA -0.134 4.177 4.320 -0.014 0.000 0.217 151 A C 2.109 179.658 177.584 -0.058 0.000 1.186 151 A CA 1.861 53.878 52.037 -0.033 0.000 0.624 151 A CB -0.958 18.015 19.000 -0.045 0.000 0.822 151 A HN 0.560 nan 8.150 nan 0.000 0.444 152 E N -1.126 119.022 120.200 -0.088 0.000 2.118 152 E HA -0.190 4.152 4.350 -0.014 0.000 0.195 152 E C 1.652 178.079 176.600 -0.289 0.000 0.992 152 E CA 1.685 57.978 56.400 -0.179 0.000 0.804 152 E CB -0.406 29.166 29.700 -0.213 0.000 0.741 152 E HN 0.828 nan 8.360 nan 0.000 0.458 153 Y N -0.885 119.362 120.300 -0.088 0.000 2.337 153 Y HA -0.084 4.458 4.550 -0.014 0.000 0.293 153 Y C 2.173 178.106 175.900 0.054 0.000 1.123 153 Y CA 0.434 58.512 58.100 -0.037 0.000 1.201 153 Y CB -0.205 38.194 38.460 -0.102 0.000 1.011 153 Y HN -0.099 nan 8.280 nan 0.000 0.545 154 V N 0.274 120.268 119.914 0.133 0.000 2.295 154 V HA -0.308 3.804 4.120 -0.014 0.000 0.246 154 V C 2.238 178.412 176.094 0.133 0.000 1.049 154 V CA 1.942 64.323 62.300 0.134 0.000 1.024 154 V CB -0.486 31.390 31.823 0.089 0.000 0.648 154 V HN 0.338 nan 8.190 nan 0.000 0.447 155 R N -0.460 120.075 120.500 0.058 0.000 2.081 155 R HA -0.075 4.257 4.340 -0.014 0.000 0.235 155 R C 2.298 178.643 176.300 0.075 0.000 1.131 155 R CA 1.302 57.432 56.100 0.050 0.000 0.960 155 R CB -0.420 29.872 30.300 -0.014 0.000 0.856 155 R HN 0.412 nan 8.270 nan 0.000 0.436 156 L N -0.660 120.571 121.223 0.013 0.000 2.046 156 L HA -0.229 4.102 4.340 -0.014 0.000 0.208 156 L C 2.380 179.315 176.870 0.107 0.000 1.077 156 L CA 1.344 56.179 54.840 -0.008 0.000 0.747 156 L CB -0.527 41.418 42.059 -0.189 0.000 0.896 156 L HN 0.191 nan 8.230 nan 0.000 0.432 157 Y N 1.113 121.441 120.300 0.047 0.000 2.145 157 Y HA -0.316 4.228 4.550 -0.011 0.000 0.286 157 Y C 2.382 178.319 175.900 0.062 0.000 1.145 157 Y CA 1.904 60.038 58.100 0.056 0.000 1.148 157 Y CB -0.188 38.307 38.460 0.059 0.000 0.981 157 Y HN 0.216 nan 8.280 nan 0.000 0.507 158 D N -0.284 120.217 120.400 0.169 0.000 2.104 158 D HA -0.239 4.392 4.640 -0.014 0.000 0.194 158 D C 2.051 178.362 176.300 0.017 0.000 0.994 158 D CA 1.631 55.681 54.000 0.084 0.000 0.830 158 D CB -0.836 40.042 40.800 0.131 0.000 0.959 158 D HN 0.432 nan 8.370 nan 0.000 0.452 159 F N 1.751 121.662 119.950 -0.064 0.000 2.161 159 F HA -0.235 4.284 4.527 -0.013 0.000 0.300 159 F C 2.483 178.223 175.800 -0.100 0.000 1.089 159 F CA 1.796 59.756 58.000 -0.066 0.000 1.282 159 F CB -0.184 38.788 39.000 -0.046 0.000 1.010 159 F HN -0.051 nan 8.300 nan 0.000 0.485 160 S N 0.041 115.734 115.700 -0.012 0.000 2.447 160 S HA -0.127 4.334 4.470 -0.014 0.000 0.233 160 S C 1.987 176.437 174.600 -0.250 0.000 1.006 160 S CA 0.430 58.553 58.200 -0.128 0.000 0.957 160 S CB -0.469 62.648 63.200 -0.137 0.000 0.773 160 S HN 0.334 nan 8.310 nan 0.000 0.507 161 R N 0.883 121.203 120.500 -0.299 0.000 2.193 161 R HA 0.315 4.647 4.340 -0.014 0.000 0.213 161 R C 0.658 176.836 176.300 -0.204 0.000 1.055 161 R CA 0.042 55.988 56.100 -0.256 0.000 0.995 161 R CB -1.001 29.163 30.300 -0.226 0.000 0.893 161 R HN 0.471 nan 8.270 nan 0.000 0.459 162 L N 3.517 124.584 121.223 -0.260 0.000 2.461 162 L HA 0.110 4.441 4.340 -0.014 0.000 0.272 162 L C -1.763 174.975 176.870 -0.220 0.000 1.197 162 L CA -1.685 52.999 54.840 -0.260 0.000 0.836 162 L CB -0.012 41.811 42.059 -0.394 0.000 1.105 162 L HN -0.111 nan 8.230 nan 0.000 0.477 163 P HA -0.035 nan 4.420 nan 0.000 0.269 163 P C 0.267 177.489 177.300 -0.130 0.000 1.215 163 P CA -0.178 62.849 63.100 -0.122 0.000 0.780 163 P CB 0.701 32.347 31.700 -0.090 0.000 0.898 164 E N 1.858 122.002 120.200 -0.095 0.000 2.097 164 E HA -0.237 4.104 4.350 -0.014 0.000 0.196 164 E C 1.740 178.309 176.600 -0.052 0.000 1.000 164 E CA 2.180 58.537 56.400 -0.072 0.000 0.804 164 E CB -0.242 29.434 29.700 -0.040 0.000 0.740 164 E HN 0.517 nan 8.360 nan 0.000 0.454 165 S N -0.055 115.620 115.700 -0.042 0.000 2.399 165 S HA -0.229 4.232 4.470 -0.014 0.000 0.231 165 S C 2.017 176.618 174.600 0.003 0.000 1.022 165 S CA 1.424 59.613 58.200 -0.018 0.000 0.983 165 S CB -0.229 62.952 63.200 -0.032 0.000 0.803 165 S HN 0.423 nan 8.310 nan 0.000 0.480 166 E N 1.022 121.198 120.200 -0.039 0.000 2.107 166 E HA -0.141 4.200 4.350 -0.014 0.000 0.191 166 E C 2.364 178.943 176.600 -0.035 0.000 0.982 166 E CA 0.817 57.207 56.400 -0.015 0.000 0.809 166 E CB -0.187 29.468 29.700 -0.074 0.000 0.756 166 E HN 0.697 nan 8.360 nan 0.000 0.459 167 Q N 0.436 120.129 119.800 -0.179 0.000 2.045 167 Q HA -0.234 4.097 4.340 -0.014 0.000 0.206 167 Q C 2.125 178.179 176.000 0.089 0.000 0.991 167 Q CA 1.914 57.582 55.803 -0.225 0.000 0.851 167 Q CB -0.137 28.429 28.738 -0.286 0.000 0.911 167 Q HN 0.371 nan 8.270 nan 0.000 0.418 168 E N -0.272 119.971 120.200 0.071 0.000 2.118 168 E HA -0.225 4.116 4.350 -0.014 0.000 0.195 168 E C 1.771 178.441 176.600 0.117 0.000 0.992 168 E CA 1.095 57.552 56.400 0.095 0.000 0.804 168 E CB -0.183 29.559 29.700 0.069 0.000 0.741 168 E HN 0.340 nan 8.360 nan 0.000 0.458 169 Y N 1.928 122.232 120.300 0.006 0.000 2.145 169 Y HA -0.193 4.351 4.550 -0.010 0.000 0.286 169 Y C 1.915 177.830 175.900 0.025 0.000 1.145 169 Y CA 1.572 59.675 58.100 0.005 0.000 1.148 169 Y CB 0.013 38.465 38.460 -0.014 0.000 0.981 169 Y HN -0.187 nan 8.280 nan 0.000 0.507 170 K N 0.017 120.399 120.400 -0.030 0.000 2.063 170 K HA -0.194 4.117 4.320 -0.014 0.000 0.208 170 K C 2.116 178.682 176.600 -0.056 0.000 1.048 170 K CA 2.022 58.271 56.287 -0.064 0.000 0.928 170 K CB -0.393 32.199 32.500 0.154 0.000 0.713 170 K HN 0.377 nan 8.250 nan 0.000 0.442 171 I N 1.281 121.877 120.570 0.043 0.000 2.226 171 I HA -0.315 3.846 4.170 -0.014 0.000 0.245 171 I C 2.641 178.724 176.117 -0.056 0.000 1.100 171 I CA 1.457 62.765 61.300 0.013 0.000 1.374 171 I CB -0.412 37.630 38.000 0.071 0.000 1.057 171 I HN 0.232 nan 8.210 nan 0.000 0.413 172 S N 1.212 116.865 115.700 -0.079 0.000 2.400 172 S HA -0.171 4.290 4.470 -0.014 0.000 0.232 172 S C 1.917 176.427 174.600 -0.151 0.000 1.025 172 S CA 1.150 59.293 58.200 -0.096 0.000 0.993 172 S CB -0.810 62.350 63.200 -0.066 0.000 0.808 172 S HN 0.463 nan 8.310 nan 0.000 0.478 173 L N 2.108 123.184 121.223 -0.246 0.000 2.395 173 L HA 0.015 4.347 4.340 -0.014 0.000 0.218 173 L C 3.002 179.784 176.870 -0.147 0.000 1.130 173 L CA 0.896 55.599 54.840 -0.227 0.000 0.826 173 L CB -0.719 41.145 42.059 -0.325 0.000 0.941 173 L HN 0.570 nan 8.230 nan 0.000 0.451 174 S N 0.090 115.715 115.700 -0.125 0.000 2.356 174 S HA -0.266 4.196 4.470 -0.014 0.000 0.223 174 S C 2.007 176.543 174.600 -0.106 0.000 1.032 174 S CA 1.191 59.325 58.200 -0.111 0.000 1.005 174 S CB -0.286 62.859 63.200 -0.093 0.000 0.867 174 S HN 0.349 nan 8.310 nan 0.000 0.449 175 K N 1.120 121.466 120.400 -0.091 0.000 2.020 175 K HA -0.205 4.106 4.320 -0.014 0.000 0.212 175 K C 1.690 178.242 176.600 -0.080 0.000 1.050 175 K CA 2.020 58.254 56.287 -0.088 0.000 0.929 175 K CB -0.398 32.061 32.500 -0.068 0.000 0.714 175 K HN 0.308 nan 8.250 nan 0.000 0.443 176 D N 0.330 120.688 120.400 -0.069 0.000 2.144 176 D HA -0.125 4.507 4.640 -0.014 0.000 0.199 176 D C 1.696 177.970 176.300 -0.043 0.000 0.984 176 D CA 0.787 54.756 54.000 -0.051 0.000 0.834 176 D CB -0.361 40.409 40.800 -0.049 0.000 0.955 176 D HN 0.237 nan 8.370 nan 0.000 0.465 177 N N 0.614 119.278 118.700 -0.061 0.000 2.036 177 N HA -0.127 4.604 4.740 -0.014 0.000 0.195 177 N C 2.085 177.599 175.510 0.006 0.000 1.037 177 N CA 0.698 53.719 53.050 -0.049 0.000 0.855 177 N CB -0.409 38.018 38.487 -0.100 0.000 1.033 177 N HN 0.290 nan 8.380 nan 0.000 0.423 178 I N 0.580 121.135 120.570 -0.026 0.000 2.202 178 I HA -0.246 3.915 4.170 -0.014 0.000 0.242 178 I C 2.475 178.593 176.117 0.002 0.000 1.091 178 I CA 0.937 62.221 61.300 -0.027 0.000 1.368 178 I CB -0.226 37.576 38.000 -0.330 0.000 1.058 178 I HN 0.075 nan 8.210 nan 0.000 0.410 179 Q N 0.992 120.782 119.800 -0.018 0.000 2.084 179 Q HA -0.170 4.161 4.340 -0.014 0.000 0.202 179 Q C 2.273 178.293 176.000 0.034 0.000 0.978 179 Q CA 2.239 58.049 55.803 0.012 0.000 0.844 179 Q CB -0.228 28.501 28.738 -0.014 0.000 0.898 179 Q HN 0.386 nan 8.270 nan 0.000 0.426 180 S N -0.357 115.360 115.700 0.029 0.000 2.370 180 S HA -0.147 4.315 4.470 -0.014 0.000 0.226 180 S C 2.052 176.692 174.600 0.066 0.000 1.033 180 S CA 1.182 59.405 58.200 0.038 0.000 1.011 180 S CB -0.411 62.804 63.200 0.025 0.000 0.852 180 S HN 0.388 nan 8.310 nan 0.000 0.457 181 S N 1.453 117.216 115.700 0.105 0.000 2.368 181 S HA 0.015 4.477 4.470 -0.014 0.000 0.225 181 S C 1.779 176.442 174.600 0.105 0.000 1.030 181 S CA 1.021 59.310 58.200 0.148 0.000 0.999 181 S CB -0.358 63.019 63.200 0.294 0.000 0.844 181 S HN 0.422 nan 8.310 nan 0.000 0.459 182 I N 1.743 122.369 120.570 0.093 0.000 2.353 182 I HA -0.153 4.009 4.170 -0.014 0.000 0.248 182 I C 1.898 178.054 176.117 0.065 0.000 1.119 182 I CA 0.975 62.326 61.300 0.085 0.000 1.417 182 I CB -0.437 37.637 38.000 0.123 0.000 1.078 182 I HN 0.326 nan 8.210 nan 0.000 0.421 183 N N 0.413 119.148 118.700 0.058 0.000 2.309 183 N HA -0.059 4.672 4.740 -0.014 0.000 0.182 183 N C 1.158 176.691 175.510 0.039 0.000 1.018 183 N CA 0.857 53.932 53.050 0.043 0.000 0.876 183 N CB 0.082 38.590 38.487 0.034 0.000 0.972 183 N HN 0.466 nan 8.380 nan 0.000 0.434 184 G N 0.161 108.989 108.800 0.047 0.000 2.141 184 G HA2 -0.224 3.728 3.960 -0.014 0.000 0.195 184 G HA3 -0.224 3.728 3.960 -0.014 0.000 0.195 184 G C 0.711 175.635 174.900 0.040 0.000 1.012 184 G CA 0.534 45.661 45.100 0.044 0.000 0.696 184 G HN 0.433 nan 8.290 nan 0.000 0.508 185 T N -2.774 111.804 114.554 0.041 0.000 3.022 185 T HA 0.458 4.799 4.350 -0.014 0.000 0.250 185 T C 0.686 175.407 174.700 0.035 0.000 1.060 185 T CA 1.139 63.258 62.100 0.033 0.000 1.013 185 T CB 0.310 69.193 68.868 0.025 0.000 0.982 185 T HN 1.314 nan 8.240 nan 0.000 0.508 186 Q N 0.469 120.297 119.800 0.048 0.000 2.418 186 Q HA 0.655 4.987 4.340 -0.014 0.000 0.282 186 Q C -3.312 172.734 176.000 0.077 0.000 1.044 186 Q CA -2.265 53.568 55.803 0.049 0.000 0.813 186 Q CB 1.626 30.385 28.738 0.035 0.000 1.428 186 Q HN -0.048 nan 8.270 nan 0.000 0.402 187 P HA 0.154 nan 4.420 nan 0.000 0.274 187 P C -1.251 176.136 177.300 0.146 0.000 1.246 187 P CA -0.297 62.869 63.100 0.110 0.000 0.795 187 P CB 0.497 32.244 31.700 0.080 0.000 1.006 188 F N 1.373 121.354 119.950 0.051 0.000 2.404 188 F HA 0.241 4.760 4.527 -0.014 0.000 0.358 188 F C 0.104 175.929 175.800 0.041 0.000 1.120 188 F CA -0.556 57.476 58.000 0.053 0.000 1.144 188 F CB 0.292 39.348 39.000 0.094 0.000 1.133 188 F HN 0.123 nan 8.300 nan 0.000 0.495 189 D N 4.937 124.970 120.400 -0.611 0.000 2.313 189 D HA 0.086 4.717 4.640 -0.014 0.000 0.239 189 D C 0.108 175.922 176.300 -0.810 0.000 1.142 189 D CA -0.371 53.328 54.000 -0.501 0.000 0.847 189 D CB 0.496 41.106 40.800 -0.316 0.000 1.082 189 D HN 0.537 nan 8.370 nan 0.000 0.480 190 N N 2.101 120.539 118.700 -0.436 0.000 2.878 190 N HA -0.031 4.700 4.740 -0.014 0.000 0.282 190 N C -0.473 174.899 175.510 -0.231 0.000 1.284 190 N CA -0.473 52.411 53.050 -0.278 0.000 1.053 190 N CB -0.548 37.902 38.487 -0.060 0.000 1.382 190 N HN 0.197 nan 8.380 nan 0.000 0.529 191 S N -0.578 114.964 115.700 -0.263 0.000 2.600 191 S HA 0.174 4.636 4.470 -0.014 0.000 0.265 191 S C 1.502 176.006 174.600 -0.161 0.000 1.325 191 S CA -0.823 57.279 58.200 -0.164 0.000 1.002 191 S CB 0.774 63.894 63.200 -0.133 0.000 0.921 191 S HN 0.026 nan 8.310 nan 0.000 0.554 192 I N 2.228 122.714 120.570 -0.141 0.000 2.151 192 I HA -0.181 3.981 4.170 -0.014 0.000 0.243 192 I C 2.809 178.780 176.117 -0.242 0.000 1.080 192 I CA 1.909 63.087 61.300 -0.204 0.000 1.339 192 I CB -1.633 36.141 38.000 -0.376 0.000 1.039 192 I HN 0.962 nan 8.210 nan 0.000 0.409 193 E N 0.611 120.637 120.200 -0.291 0.000 2.153 193 E HA -0.235 4.106 4.350 -0.014 0.000 0.194 193 E C 1.526 178.057 176.600 -0.114 0.000 0.988 193 E CA 1.285 57.559 56.400 -0.209 0.000 0.811 193 E CB -0.627 29.021 29.700 -0.087 0.000 0.746 193 E HN 0.480 nan 8.360 nan 0.000 0.466 194 N N 1.642 120.271 118.700 -0.118 0.000 2.197 194 N HA -0.013 4.719 4.740 -0.014 0.000 0.184 194 N C 2.338 177.938 175.510 0.149 0.000 1.030 194 N CA 1.519 54.533 53.050 -0.061 0.000 0.851 194 N CB -0.429 37.897 38.487 -0.269 0.000 1.003 194 N HN 0.479 nan 8.380 nan 0.000 0.430 195 I N -2.161 118.462 120.570 0.087 0.000 2.361 195 I HA -0.161 4.000 4.170 -0.014 0.000 0.251 195 I C 0.769 176.731 176.117 -0.257 0.000 1.133 195 I CA 1.462 62.764 61.300 0.004 0.000 1.413 195 I CB -0.452 37.406 38.000 -0.238 0.000 1.073 195 I HN -0.052 nan 8.210 nan 0.000 0.424 196 Y N 1.966 122.153 120.300 -0.188 0.000 2.495 196 Y HA 0.386 4.928 4.550 -0.015 0.000 0.293 196 Y C 2.008 177.821 175.900 -0.146 0.000 1.186 196 Y CA 0.130 57.942 58.100 -0.481 0.000 1.266 196 Y CB 0.386 38.499 38.460 -0.579 0.000 1.101 196 Y HN 0.225 nan 8.280 nan 0.000 0.517 197 G N -2.184 106.733 108.800 0.195 0.000 3.324 197 G HA2 0.017 3.969 3.960 -0.014 0.000 0.251 197 G HA3 0.017 3.969 3.960 -0.014 0.000 0.251 197 G C 0.939 175.941 174.900 0.170 0.000 1.072 197 G CA -0.082 45.092 45.100 0.124 0.000 0.787 197 G HN 0.321 nan 8.290 nan 0.000 0.537 198 F N 1.764 121.861 119.950 0.245 0.000 2.456 198 F HA -0.028 4.491 4.527 -0.013 0.000 0.298 198 F C 2.871 178.827 175.800 0.261 0.000 1.104 198 F CA 1.107 59.270 58.000 0.272 0.000 1.435 198 F CB 0.346 39.548 39.000 0.336 0.000 1.078 198 F HN 0.248 nan 8.300 nan 0.000 0.546 199 S N -0.199 115.756 115.700 0.425 0.000 2.500 199 S HA -0.222 4.240 4.470 -0.014 0.000 0.239 199 S C 1.614 176.304 174.600 0.151 0.000 0.989 199 S CA 0.883 59.244 58.200 0.269 0.000 0.951 199 S CB -0.555 62.797 63.200 0.252 0.000 0.759 199 S HN 0.516 nan 8.310 nan 0.000 0.523 200 Q N -0.206 119.664 119.800 0.116 0.000 2.291 200 Q HA 0.116 4.447 4.340 -0.014 0.000 0.205 200 Q C 1.444 177.428 176.000 -0.026 0.000 0.970 200 Q CA 0.803 56.623 55.803 0.028 0.000 0.876 200 Q CB -0.062 28.676 28.738 -0.001 0.000 0.935 200 Q HN 0.460 nan 8.270 nan 0.000 0.455 201 L N -1.899 119.314 121.223 -0.016 0.000 2.547 201 L HA 0.228 4.560 4.340 -0.014 0.000 0.218 201 L C -0.066 176.511 176.870 -0.488 0.000 1.048 201 L CA 0.829 55.520 54.840 -0.248 0.000 0.859 201 L CB 0.073 42.001 42.059 -0.218 0.000 1.128 201 L HN 0.072 nan 8.230 nan 0.000 0.483 202 Y N -0.944 119.420 120.300 0.107 0.000 2.581 202 Y HA 0.446 4.987 4.550 -0.014 0.000 0.345 202 Y C -2.186 173.758 175.900 0.073 0.000 1.036 202 Y CA -2.705 55.447 58.100 0.086 0.000 1.042 202 Y CB 0.757 39.281 38.460 0.107 0.000 1.289 202 Y HN -0.175 nan 8.280 nan 0.000 0.471 203 P HA 0.083 nan 4.420 nan 0.000 0.261 203 P C -0.855 176.502 177.300 0.096 0.000 1.203 203 P CA 0.546 63.713 63.100 0.112 0.000 0.767 203 P CB 0.301 32.045 31.700 0.075 0.000 0.785 204 T N 2.530 117.127 114.554 0.072 0.000 2.916 204 T HA 0.454 4.795 4.350 -0.014 0.000 0.298 204 T C -0.447 174.210 174.700 -0.072 0.000 1.031 204 T CA -0.458 61.641 62.100 -0.001 0.000 0.993 204 T CB 1.323 70.234 68.868 0.073 0.000 1.045 204 T HN 0.064 nan 8.240 nan 0.000 0.454 205 T N 2.838 117.295 114.554 -0.161 0.000 2.807 205 T HA 0.489 4.831 4.350 -0.014 0.000 0.279 205 T C -1.183 173.343 174.700 -0.291 0.000 0.993 205 T CA -0.473 61.508 62.100 -0.197 0.000 0.970 205 T CB 0.494 69.224 68.868 -0.229 0.000 0.950 205 T HN 0.412 nan 8.240 nan 0.000 0.441 206 Y N 3.067 123.369 120.300 0.002 0.000 2.434 206 Y HA 0.254 4.795 4.550 -0.014 0.000 0.341 206 Y C 1.068 176.943 175.900 -0.042 0.000 0.965 206 Y CA -0.774 57.389 58.100 0.105 0.000 1.205 206 Y CB 0.421 39.032 38.460 0.251 0.000 1.121 206 Y HN 0.590 nan 8.280 nan 0.000 0.507 207 H N 5.554 124.627 119.070 0.005 0.000 2.782 207 H HA 0.326 4.874 4.556 -0.014 0.000 0.285 207 H C -0.369 175.061 175.328 0.171 0.000 1.093 207 H CA 0.008 56.033 56.048 -0.039 0.000 1.410 207 H CB 0.615 30.113 29.762 -0.439 0.000 1.439 207 H HN 0.593 nan 8.280 nan 0.000 0.469 208 M N 3.178 122.967 119.600 0.315 0.000 2.364 208 M HA 0.031 4.503 4.480 -0.014 0.000 0.334 208 M C 0.789 177.323 176.300 0.390 0.000 1.107 208 M CA -0.972 54.561 55.300 0.389 0.000 0.988 208 M CB 2.335 35.157 32.600 0.371 0.000 1.673 208 M HN 0.347 nan 8.290 nan 0.000 0.441 209 L N 1.890 123.390 121.223 0.461 0.000 2.021 209 L HA -0.123 4.209 4.340 -0.014 0.000 0.215 209 L C 0.946 177.976 176.870 0.267 0.000 1.074 209 L CA 1.983 57.047 54.840 0.373 0.000 0.760 209 L CB -0.454 41.761 42.059 0.260 0.000 0.889 209 L HN 0.577 nan 8.230 nan 0.000 0.433 210 R N -1.655 118.998 120.500 0.255 0.000 2.721 210 R HA 0.360 4.692 4.340 -0.014 0.000 0.272 210 R C 0.827 177.275 176.300 0.247 0.000 1.721 210 R CA 0.450 56.653 56.100 0.172 0.000 1.325 210 R CB 0.685 30.989 30.300 0.007 0.000 1.271 210 R HN 0.047 nan 8.270 nan 0.000 0.556 211 A N 1.543 124.501 122.820 0.230 0.000 2.024 211 A HA -0.194 4.118 4.320 -0.014 0.000 0.220 211 A C 1.315 179.030 177.584 0.219 0.000 1.164 211 A CA 1.813 53.992 52.037 0.237 0.000 0.643 211 A CB -0.136 18.985 19.000 0.201 0.000 0.806 211 A HN 0.590 nan 8.150 nan 0.000 0.451 212 D N -0.344 120.147 120.400 0.152 0.000 2.352 212 D HA -0.047 4.585 4.640 -0.014 0.000 0.232 212 D C 1.276 177.620 176.300 0.073 0.000 1.055 212 D CA 0.183 54.255 54.000 0.120 0.000 0.891 212 D CB -0.488 40.364 40.800 0.087 0.000 0.897 212 D HN 0.347 nan 8.370 nan 0.000 0.529 213 I N 0.035 120.615 120.570 0.017 0.000 2.315 213 I HA -0.215 3.947 4.170 -0.014 0.000 0.251 213 I C 1.238 177.232 176.117 -0.205 0.000 1.125 213 I CA 1.048 62.283 61.300 -0.107 0.000 1.392 213 I CB -0.409 37.496 38.000 -0.158 0.000 1.065 213 I HN -0.154 nan 8.210 nan 0.000 0.424 214 F N 0.155 120.129 119.950 0.040 0.000 2.802 214 F HA 0.061 4.579 4.527 -0.015 0.000 0.300 214 F C 1.673 177.485 175.800 0.020 0.000 1.168 214 F CA 0.370 58.377 58.000 0.011 0.000 1.433 214 F CB -0.390 38.599 39.000 -0.019 0.000 1.115 214 F HN 0.084 nan 8.300 nan 0.000 0.582 215 E N -0.783 119.506 120.200 0.150 0.000 2.624 215 E HA 0.089 4.430 4.350 -0.014 0.000 0.210 215 E C 0.892 177.531 176.600 0.065 0.000 0.997 215 E CA -0.060 56.401 56.400 0.101 0.000 0.999 215 E CB 0.083 29.837 29.700 0.090 0.000 1.040 215 E HN 0.225 nan 8.360 nan 0.000 0.469 216 T N -2.579 112.007 114.554 0.054 0.000 2.888 216 T HA 0.221 4.563 4.350 -0.014 0.000 0.283 216 T C 1.068 175.793 174.700 0.041 0.000 1.013 216 T CA -0.691 61.434 62.100 0.041 0.000 0.938 216 T CB 0.590 69.482 68.868 0.040 0.000 1.298 216 T HN -0.208 nan 8.240 nan 0.000 0.580 217 N N 0.079 118.802 118.700 0.038 0.000 2.550 217 N HA 0.102 4.833 4.740 -0.014 0.000 0.186 217 N C 0.231 175.758 175.510 0.028 0.000 1.110 217 N CA 0.133 53.203 53.050 0.032 0.000 0.912 217 N CB -0.575 37.930 38.487 0.030 0.000 0.968 217 N HN 0.532 nan 8.380 nan 0.000 0.448 218 L N 2.404 123.647 121.223 0.033 0.000 2.462 218 L HA 0.150 4.482 4.340 -0.014 0.000 0.272 218 L C -1.944 174.933 176.870 0.011 0.000 1.166 218 L CA -1.374 53.470 54.840 0.006 0.000 0.880 218 L CB 0.052 42.118 42.059 0.013 0.000 1.142 218 L HN -0.264 nan 8.230 nan 0.000 0.473 219 P HA 0.140 nan 4.420 nan 0.000 0.268 219 P C 0.080 177.410 177.300 0.050 0.000 1.485 219 P CA 0.254 63.359 63.100 0.008 0.000 1.102 219 P CB 0.190 31.872 31.700 -0.030 0.000 1.501 220 L N 1.411 122.703 121.223 0.114 0.000 3.267 220 L HA 0.107 4.438 4.340 -0.014 0.000 0.289 220 L C 1.547 178.550 176.870 0.222 0.000 1.260 220 L CA 0.141 55.109 54.840 0.215 0.000 1.034 220 L CB -0.062 42.146 42.059 0.249 0.000 1.413 220 L HN 0.147 nan 8.230 nan 0.000 0.594 221 T N -0.458 114.172 114.554 0.127 0.000 2.699 221 T HA -0.217 4.125 4.350 -0.014 0.000 0.268 221 T C 2.067 176.797 174.700 0.050 0.000 1.036 221 T CA 2.178 64.320 62.100 0.070 0.000 1.147 221 T CB -0.010 68.882 68.868 0.041 0.000 0.862 221 T HN 0.320 nan 8.240 nan 0.000 0.446 222 S N 1.104 116.855 115.700 0.085 0.000 2.365 222 S HA -0.086 4.375 4.470 -0.014 0.000 0.225 222 S C 1.905 176.548 174.600 0.072 0.000 1.039 222 S CA 0.990 59.244 58.200 0.089 0.000 1.033 222 S CB -0.469 62.814 63.200 0.137 0.000 0.887 222 S HN 0.271 nan 8.310 nan 0.000 0.447 223 L N 1.869 123.157 121.223 0.108 0.000 2.131 223 L HA 0.130 4.462 4.340 -0.014 0.000 0.206 223 L C 2.116 178.859 176.870 -0.212 0.000 1.087 223 L CA 1.696 56.530 54.840 -0.010 0.000 0.767 223 L CB -0.642 41.435 42.059 0.030 0.000 0.917 223 L HN 0.157 nan 8.230 nan 0.000 0.441 224 K N -0.554 119.671 120.400 -0.293 0.000 2.074 224 K HA -0.232 4.079 4.320 -0.014 0.000 0.209 224 K C 2.306 178.703 176.600 -0.339 0.000 1.048 224 K CA 1.665 57.586 56.287 -0.610 0.000 0.926 224 K CB -0.180 32.095 32.500 -0.376 0.000 0.713 224 K HN 0.243 nan 8.250 nan 0.000 0.444 225 R N 0.116 120.514 120.500 -0.170 0.000 2.105 225 R HA -0.118 4.214 4.340 -0.014 0.000 0.239 225 R C 2.206 178.448 176.300 -0.097 0.000 1.135 225 R CA 1.538 57.575 56.100 -0.105 0.000 0.967 225 R CB -0.234 30.034 30.300 -0.052 0.000 0.861 225 R HN 0.124 nan 8.270 nan 0.000 0.442 226 V N 1.470 121.322 119.914 -0.104 0.000 2.358 226 V HA -0.189 3.922 4.120 -0.014 0.000 0.246 226 V C 2.018 178.074 176.094 -0.064 0.000 1.047 226 V CA 1.931 64.192 62.300 -0.066 0.000 1.035 226 V CB -0.328 31.463 31.823 -0.053 0.000 0.658 226 V HN 0.423 nan 8.190 nan 0.000 0.452 227 I N -1.380 119.100 120.570 -0.150 0.000 4.081 227 I HA 0.218 4.379 4.170 -0.014 0.000 0.333 227 I C 2.078 178.108 176.117 -0.145 0.000 1.413 227 I CA 0.599 61.838 61.300 -0.102 0.000 1.110 227 I CB 0.033 37.967 38.000 -0.109 0.000 1.082 227 I HN 0.218 nan 8.210 nan 0.000 0.402 228 S N 1.575 117.159 115.700 -0.192 0.000 2.383 228 S HA -0.144 4.317 4.470 -0.014 0.000 0.229 228 S C 1.471 176.024 174.600 -0.079 0.000 1.030 228 S CA 1.476 59.571 58.200 -0.176 0.000 1.002 228 S CB -0.650 62.457 63.200 -0.155 0.000 0.829 228 S HN 0.563 nan 8.310 nan 0.000 0.467 229 N N 2.092 120.766 118.700 -0.043 0.000 2.398 229 N HA 0.149 4.880 4.740 -0.014 0.000 0.188 229 N C 0.225 175.738 175.510 0.006 0.000 1.122 229 N CA 0.264 53.305 53.050 -0.014 0.000 0.866 229 N CB -0.160 38.323 38.487 -0.007 0.000 0.970 229 N HN 0.545 nan 8.380 nan 0.000 0.462 230 N N 0.262 118.979 118.700 0.028 0.000 2.187 230 N HA 0.118 4.849 4.740 -0.014 0.000 0.212 230 N C -0.274 175.292 175.510 0.093 0.000 1.152 230 N CA -0.017 53.077 53.050 0.075 0.000 0.872 230 N CB 1.479 40.067 38.487 0.168 0.000 1.025 230 N HN 0.081 nan 8.380 nan 0.000 0.514 231 I N 1.287 121.890 120.570 0.055 0.000 2.359 231 I HA 0.292 4.453 4.170 -0.014 0.000 0.294 231 I C 0.285 176.407 176.117 0.008 0.000 0.987 231 I CA -0.379 60.966 61.300 0.075 0.000 1.225 231 I CB 1.390 39.443 38.000 0.089 0.000 1.366 231 I HN -0.310 nan 8.210 nan 0.000 0.466 232 K N 3.760 124.136 120.400 -0.041 0.000 2.270 232 K HA 0.346 4.658 4.320 -0.014 0.000 0.255 232 K C -0.455 176.176 176.600 0.051 0.000 0.936 232 K CA -0.919 55.337 56.287 -0.051 0.000 0.809 232 K CB 2.160 34.532 32.500 -0.212 0.000 1.131 232 K HN 0.342 nan 8.250 nan 0.000 0.427 233 Q N 3.396 123.245 119.800 0.081 0.000 2.293 233 Q HA 0.129 4.460 4.340 -0.014 0.000 0.263 233 Q C -0.513 175.559 176.000 0.121 0.000 1.002 233 Q CA 0.374 56.252 55.803 0.124 0.000 0.910 233 Q CB 0.609 29.412 28.738 0.108 0.000 1.185 233 Q HN 0.494 nan 8.270 nan 0.000 0.401 234 M N 4.269 123.965 119.600 0.160 0.000 2.284 234 M HA 0.026 4.497 4.480 -0.014 0.000 0.351 234 M C -0.059 176.188 176.300 -0.090 0.000 1.443 234 M CA 0.678 56.014 55.300 0.059 0.000 1.031 234 M CB 0.340 32.988 32.600 0.080 0.000 1.893 234 M HN 0.364 nan 8.290 nan 0.000 0.456 235 K N 2.925 123.212 120.400 -0.188 0.000 2.118 235 K HA 0.264 4.575 4.320 -0.014 0.000 0.254 235 K C -0.596 175.772 176.600 -0.387 0.000 0.961 235 K CA -0.096 56.057 56.287 -0.223 0.000 0.876 235 K CB 1.247 33.560 32.500 -0.311 0.000 1.077 235 K HN 0.775 nan 8.250 nan 0.000 0.440 236 W N 0.324 121.638 121.300 0.023 0.000 2.304 236 W HA 0.052 4.703 4.660 -0.015 0.000 0.326 236 W C 0.285 176.778 176.519 -0.044 0.000 0.920 236 W CA -0.328 57.042 57.345 0.042 0.000 1.518 236 W CB 0.754 30.223 29.460 0.014 0.000 1.112 236 W HN 0.567 nan 8.180 nan 0.000 0.528 237 D N -1.368 119.026 120.400 -0.009 0.000 2.463 237 D HA 0.009 4.641 4.640 -0.014 0.000 0.224 237 D C 0.974 177.168 176.300 -0.177 0.000 1.174 237 D CA -0.459 53.500 54.000 -0.067 0.000 0.829 237 D CB -0.997 39.756 40.800 -0.078 0.000 0.993 237 D HN 0.136 nan 8.370 nan 0.000 0.497 238 Y N -0.069 120.104 120.300 -0.211 0.000 2.207 238 Y HA -0.129 4.412 4.550 -0.014 0.000 0.287 238 Y C 1.592 177.076 175.900 -0.693 0.000 1.156 238 Y CA 0.997 58.784 58.100 -0.522 0.000 1.182 238 Y CB -0.409 37.600 38.460 -0.750 0.000 0.979 238 Y HN -0.025 nan 8.280 nan 0.000 0.521 239 F N -0.203 119.458 119.950 -0.482 0.000 2.408 239 F HA -0.185 4.334 4.527 -0.014 0.000 0.300 239 F C 2.285 178.020 175.800 -0.108 0.000 1.090 239 F CA 1.278 59.105 58.000 -0.287 0.000 1.427 239 F CB -1.108 37.816 39.000 -0.126 0.000 1.070 239 F HN -0.047 nan 8.300 nan 0.000 0.549 240 T N -1.298 113.278 114.554 0.037 0.000 2.833 240 T HA -0.151 4.191 4.350 -0.014 0.000 0.269 240 T C 1.972 176.685 174.700 0.022 0.000 1.054 240 T CA 1.972 64.089 62.100 0.027 0.000 1.135 240 T CB -0.378 68.489 68.868 -0.003 0.000 0.869 240 T HN 0.405 nan 8.240 nan 0.000 0.466 241 T N -1.423 113.136 114.554 0.009 0.000 3.001 241 T HA 0.316 4.658 4.350 -0.014 0.000 0.251 241 T C 0.373 175.193 174.700 0.200 0.000 1.040 241 T CA -0.481 61.666 62.100 0.078 0.000 0.985 241 T CB -0.169 68.742 68.868 0.073 0.000 1.011 241 T HN -0.016 nan 8.240 nan 0.000 0.509 242 F N 5.021 124.937 119.950 -0.057 0.000 2.529 242 F HA 0.387 4.905 4.527 -0.014 0.000 0.365 242 F C 0.999 176.705 175.800 -0.157 0.000 1.102 242 F CA -1.902 56.008 58.000 -0.151 0.000 1.271 242 F CB -0.042 38.736 39.000 -0.371 0.000 1.120 242 F HN 0.342 nan 8.300 nan 0.000 0.579 243 N N 0.198 118.897 118.700 -0.001 0.000 2.347 243 N HA 0.081 4.813 4.740 -0.014 0.000 0.253 243 N C 0.784 176.223 175.510 -0.118 0.000 1.274 243 N CA -0.192 52.825 53.050 -0.054 0.000 0.941 243 N CB 0.129 38.580 38.487 -0.060 0.000 1.200 243 N HN 0.350 nan 8.380 nan 0.000 0.514 244 S N -0.983 114.666 115.700 -0.086 0.000 2.365 244 S HA -0.267 4.195 4.470 -0.014 0.000 0.225 244 S C 1.557 176.074 174.600 -0.138 0.000 1.039 244 S CA 1.395 59.542 58.200 -0.088 0.000 1.033 244 S CB -0.536 62.642 63.200 -0.036 0.000 0.887 244 S HN 0.752 nan 8.310 nan 0.000 0.447 245 Q N 0.512 120.229 119.800 -0.138 0.000 2.124 245 Q HA -0.198 4.134 4.340 -0.014 0.000 0.202 245 Q C 2.158 178.015 176.000 -0.238 0.000 0.977 245 Q CA 1.433 57.142 55.803 -0.156 0.000 0.850 245 Q CB -0.109 28.550 28.738 -0.131 0.000 0.901 245 Q HN 0.607 nan 8.270 nan 0.000 0.429 246 Q N 0.017 119.615 119.800 -0.338 0.000 2.046 246 Q HA -0.149 4.183 4.340 -0.014 0.000 0.200 246 Q C 2.083 177.778 176.000 -0.508 0.000 0.975 246 Q CA 1.458 56.925 55.803 -0.560 0.000 0.836 246 Q CB 0.067 28.202 28.738 -1.004 0.000 0.896 246 Q HN 0.282 nan 8.270 nan 0.000 0.428 247 K N 0.444 120.544 120.400 -0.500 0.000 2.032 247 K HA -0.133 4.178 4.320 -0.014 0.000 0.209 247 K C 1.827 177.975 176.600 -0.753 0.000 1.048 247 K CA 1.286 57.158 56.287 -0.692 0.000 0.927 247 K CB -0.109 32.011 32.500 -0.634 0.000 0.712 247 K HN 0.169 nan 8.250 nan 0.000 0.441 248 N N 1.198 119.637 118.700 -0.436 0.000 2.120 248 N HA -0.177 4.555 4.740 -0.014 0.000 0.188 248 N C 1.612 177.035 175.510 -0.145 0.000 1.024 248 N CA 1.120 54.042 53.050 -0.214 0.000 0.852 248 N CB -0.139 38.316 38.487 -0.053 0.000 1.003 248 N HN 0.200 nan 8.380 nan 0.000 0.424 249 K N -0.071 120.227 120.400 -0.170 0.000 2.103 249 K HA -0.124 4.187 4.320 -0.014 0.000 0.207 249 K C 1.960 178.562 176.600 0.003 0.000 1.048 249 K CA 0.866 57.062 56.287 -0.151 0.000 0.930 249 K CB -0.213 32.181 32.500 -0.176 0.000 0.716 249 K HN 0.076 nan 8.250 nan 0.000 0.444 250 F N 0.428 120.354 119.950 -0.041 0.000 2.134 250 F HA -0.239 4.280 4.527 -0.014 0.000 0.299 250 F C 1.551 177.501 175.800 0.251 0.000 1.097 250 F CA 1.394 59.499 58.000 0.175 0.000 1.264 250 F CB -0.208 38.985 39.000 0.322 0.000 1.001 250 F HN 0.042 nan 8.300 nan 0.000 0.479 251 Y N 0.509 121.001 120.300 0.320 0.000 2.181 251 Y HA -0.225 4.316 4.550 -0.014 0.000 0.288 251 Y C 2.421 178.341 175.900 0.034 0.000 1.146 251 Y CA 1.137 59.334 58.100 0.162 0.000 1.164 251 Y CB -1.715 36.827 38.460 0.137 0.000 0.982 251 Y HN 0.122 nan 8.280 nan 0.000 0.515 252 N N -0.443 118.334 118.700 0.128 0.000 2.106 252 N HA -0.154 4.577 4.740 -0.014 0.000 0.188 252 N C 1.790 177.292 175.510 -0.012 0.000 1.029 252 N CA 1.080 54.132 53.050 0.003 0.000 0.848 252 N CB -0.853 37.567 38.487 -0.111 0.000 1.007 252 N HN 0.176 nan 8.380 nan 0.000 0.423 253 F N 1.464 121.358 119.950 -0.093 0.000 2.095 253 F HA -0.165 4.353 4.527 -0.014 0.000 0.298 253 F C 2.615 178.299 175.800 -0.194 0.000 1.104 253 F CA 1.610 59.516 58.000 -0.157 0.000 1.232 253 F CB -1.054 37.777 39.000 -0.283 0.000 0.987 253 F HN 0.168 nan 8.300 nan 0.000 0.475 254 T N -3.907 110.612 114.554 -0.060 0.000 3.051 254 T HA 0.309 4.651 4.350 -0.014 0.000 0.255 254 T C 1.796 176.634 174.700 0.230 0.000 1.085 254 T CA 0.597 62.662 62.100 -0.059 0.000 1.109 254 T CB -0.241 68.448 68.868 -0.297 0.000 0.921 254 T HN 0.464 nan 8.240 nan 0.000 0.488 255 G N 1.292 110.200 108.800 0.179 0.000 2.153 255 G HA2 -0.242 3.709 3.960 -0.014 0.000 0.252 255 G HA3 -0.242 3.709 3.960 -0.014 0.000 0.252 255 G C -0.196 174.841 174.900 0.228 0.000 0.994 255 G CA 0.291 45.497 45.100 0.177 0.000 0.698 255 G HN 0.730 nan 8.290 nan 0.000 0.521 256 F N 1.041 121.049 119.950 0.096 0.000 2.482 256 F HA 0.728 5.246 4.527 -0.014 0.000 0.331 256 F C -0.613 175.216 175.800 0.048 0.000 1.115 256 F CA -1.977 56.072 58.000 0.082 0.000 0.955 256 F CB 1.772 40.833 39.000 0.102 0.000 1.136 256 F HN 0.007 nan 8.300 nan 0.000 0.452 257 N N 7.290 125.360 118.700 -1.049 0.000 2.410 257 N HA 0.381 5.113 4.740 -0.014 0.000 0.287 257 N C -2.445 172.260 175.510 -1.341 0.000 1.044 257 N CA -2.025 50.327 53.050 -1.164 0.000 0.881 257 N CB 2.824 40.888 38.487 -0.705 0.000 1.405 257 N HN 0.364 nan 8.380 nan 0.000 0.490 258 P HA 0.034 nan 4.420 nan 0.000 0.245 258 P C 0.695 177.809 177.300 -0.309 0.000 1.212 258 P CA 0.348 63.103 63.100 -0.575 0.000 0.774 258 P CB 0.742 32.350 31.700 -0.154 0.000 0.999 259 E N 2.033 122.034 120.200 -0.331 0.000 2.058 259 E HA -0.209 4.133 4.350 -0.014 0.000 0.194 259 E C 2.110 178.629 176.600 -0.135 0.000 0.997 259 E CA 1.573 57.862 56.400 -0.185 0.000 0.801 259 E CB -0.568 29.030 29.700 -0.171 0.000 0.746 259 E HN 0.141 nan 8.360 nan 0.000 0.450 260 K N -0.207 120.105 120.400 -0.146 0.000 2.032 260 K HA -0.146 4.166 4.320 -0.014 0.000 0.209 260 K C 2.127 178.676 176.600 -0.085 0.000 1.048 260 K CA 1.531 57.765 56.287 -0.087 0.000 0.927 260 K CB -0.313 32.147 32.500 -0.067 0.000 0.712 260 K HN 0.202 nan 8.250 nan 0.000 0.441 261 I N 2.047 122.542 120.570 -0.125 0.000 2.226 261 I HA -0.229 3.932 4.170 -0.014 0.000 0.245 261 I C 1.714 177.564 176.117 -0.444 0.000 1.100 261 I CA 1.577 62.719 61.300 -0.263 0.000 1.374 261 I CB -0.495 37.348 38.000 -0.261 0.000 1.057 261 I HN 0.235 nan 8.210 nan 0.000 0.413 262 K N 0.183 120.448 120.400 -0.225 0.000 2.147 262 K HA -0.184 4.127 4.320 -0.014 0.000 0.205 262 K C 1.857 178.468 176.600 0.019 0.000 1.049 262 K CA 1.323 57.581 56.287 -0.049 0.000 0.936 262 K CB -0.069 32.447 32.500 0.026 0.000 0.722 262 K HN 0.433 nan 8.250 nan 0.000 0.446 263 E N 0.894 121.087 120.200 -0.012 0.000 2.072 263 E HA -0.186 4.156 4.350 -0.014 0.000 0.191 263 E C 2.119 178.761 176.600 0.070 0.000 0.985 263 E CA 0.972 57.388 56.400 0.028 0.000 0.801 263 E CB 0.082 29.785 29.700 0.005 0.000 0.750 263 E HN 0.300 nan 8.360 nan 0.000 0.452 264 Q N -0.333 119.502 119.800 0.059 0.000 2.084 264 Q HA -0.190 4.142 4.340 -0.014 0.000 0.202 264 Q C 1.838 178.072 176.000 0.391 0.000 0.978 264 Q CA 1.241 57.156 55.803 0.187 0.000 0.844 264 Q CB -0.136 28.750 28.738 0.246 0.000 0.898 264 Q HN 0.335 nan 8.270 nan 0.000 0.426 265 Y N 1.317 121.761 120.300 0.240 0.000 2.165 265 Y HA -0.238 4.304 4.550 -0.014 0.000 0.286 265 Y C 2.076 178.053 175.900 0.129 0.000 1.155 265 Y CA 1.541 59.723 58.100 0.137 0.000 1.164 265 Y CB -0.363 38.080 38.460 -0.027 0.000 0.978 265 Y HN 0.189 nan 8.280 nan 0.000 0.513 266 K N -0.538 120.014 120.400 0.253 0.000 2.374 266 K HA 0.405 4.717 4.320 -0.014 0.000 0.196 266 K C 1.918 178.583 176.600 0.108 0.000 1.023 266 K CA 0.655 57.031 56.287 0.148 0.000 1.103 266 K CB -0.082 32.482 32.500 0.107 0.000 0.848 266 K HN 0.031 nan 8.250 nan 0.000 0.528 267 A N 1.483 124.379 122.820 0.126 0.000 1.940 267 A HA -0.106 4.206 4.320 -0.014 0.000 0.219 267 A C 1.378 178.995 177.584 0.055 0.000 1.176 267 A CA 1.561 53.648 52.037 0.083 0.000 0.631 267 A CB -0.250 18.802 19.000 0.087 0.000 0.814 267 A HN 0.468 nan 8.150 nan 0.000 0.446 268 S N -1.754 113.986 115.700 0.068 0.000 2.568 268 S HA 0.560 5.021 4.470 -0.014 0.000 0.293 268 S C -2.270 172.291 174.600 -0.065 0.000 1.089 268 S CA -1.080 57.112 58.200 -0.014 0.000 0.945 268 S CB 1.991 65.216 63.200 0.041 0.000 1.077 268 S HN 0.064 nan 8.310 nan 0.000 0.485 269 P HA 0.122 nan 4.420 nan 0.000 0.245 269 P C -0.289 176.939 177.300 -0.120 0.000 1.212 269 P CA 0.241 63.242 63.100 -0.164 0.000 0.774 269 P CB -0.395 31.194 31.700 -0.185 0.000 0.999 270 H N 0.310 119.431 119.070 0.085 0.000 2.615 270 H HA 0.196 4.743 4.556 -0.014 0.000 0.363 270 H C 0.766 176.156 175.328 0.104 0.000 1.148 270 H CA -0.507 55.593 56.048 0.088 0.000 1.401 270 H CB 0.611 30.429 29.762 0.093 0.000 1.461 270 H HN 0.039 nan 8.280 nan 0.000 0.588 271 E N 1.601 121.933 120.200 0.220 0.000 2.404 271 E HA -0.000 4.341 4.350 -0.014 0.000 0.261 271 E C -0.270 176.448 176.600 0.198 0.000 1.074 271 E CA -0.232 56.257 56.400 0.148 0.000 0.917 271 E CB 0.507 30.271 29.700 0.106 0.000 0.965 271 E HN 0.498 nan 8.360 nan 0.000 0.433 272 N N 1.868 120.648 118.700 0.133 0.000 2.421 272 N HA 0.272 5.003 4.740 -0.014 0.000 0.285 272 N C -1.224 174.412 175.510 0.209 0.000 1.027 272 N CA -0.264 52.899 53.050 0.188 0.000 0.918 272 N CB 0.961 39.398 38.487 -0.084 0.000 1.152 272 N HN 0.310 nan 8.380 nan 0.000 0.485 273 F N 2.596 122.673 119.950 0.212 0.000 2.493 273 F HA 0.566 5.085 4.527 -0.014 0.000 0.329 273 F C -0.807 175.156 175.800 0.272 0.000 1.126 273 F CA -0.920 57.187 58.000 0.179 0.000 0.937 273 F CB 0.909 40.024 39.000 0.192 0.000 1.146 273 F HN 0.309 nan 8.300 nan 0.000 0.442 274 I N 7.111 127.359 120.570 -0.537 0.000 2.339 274 I HA 0.219 4.380 4.170 -0.014 0.000 0.290 274 I C -0.948 174.723 176.117 -0.742 0.000 0.994 274 I CA -0.803 60.292 61.300 -0.341 0.000 1.191 274 I CB 1.288 39.219 38.000 -0.114 0.000 1.343 274 I HN 0.530 nan 8.210 nan 0.000 0.458 275 F N 7.714 127.461 119.950 -0.339 0.000 2.445 275 F HA 0.356 4.874 4.527 -0.014 0.000 0.359 275 F C 0.088 175.750 175.800 -0.229 0.000 1.101 275 F CA -0.561 57.367 58.000 -0.119 0.000 1.177 275 F CB 0.511 39.711 39.000 0.332 0.000 1.110 275 F HN 0.207 nan 8.300 nan 0.000 0.522 276 I N 6.797 126.914 120.570 -0.756 0.000 2.308 276 I HA 0.192 4.353 4.170 -0.014 0.000 0.293 276 I C 0.969 176.760 176.117 -0.544 0.000 1.078 276 I CA -0.180 60.736 61.300 -0.640 0.000 1.292 276 I CB -0.207 37.330 38.000 -0.773 0.000 1.423 276 I HN 0.658 nan 8.210 nan 0.000 0.493 277 G N 4.373 113.004 108.800 -0.281 0.000 2.572 277 G HA2 0.428 4.379 3.960 -0.014 0.000 0.261 277 G HA3 0.428 4.379 3.960 -0.014 0.000 0.261 277 G C -0.025 174.985 174.900 0.183 0.000 1.197 277 G CA -0.050 45.124 45.100 0.122 0.000 0.870 277 G HN 0.533 nan 8.290 nan 0.000 0.548 278 T N -1.108 113.642 114.554 0.327 0.000 2.762 278 T HA 0.554 4.896 4.350 -0.014 0.000 0.272 278 T C 0.003 174.845 174.700 0.237 0.000 0.982 278 T CA -0.604 61.654 62.100 0.262 0.000 1.013 278 T CB 1.169 70.154 68.868 0.195 0.000 1.309 278 T HN 0.818 nan 8.240 nan 0.000 0.572 279 N N -0.794 117.881 118.700 -0.040 0.000 2.619 279 N HA 0.338 5.070 4.740 -0.014 0.000 0.294 279 N C 1.000 176.523 175.510 0.021 0.000 1.279 279 N CA -0.092 52.874 53.050 -0.140 0.000 0.867 279 N CB 0.419 38.666 38.487 -0.400 0.000 1.329 279 N HN 0.464 nan 8.380 nan 0.000 0.557 280 S N -2.545 113.094 115.700 -0.101 0.000 2.500 280 S HA -0.014 4.448 4.470 -0.014 0.000 0.239 280 S C 1.748 176.386 174.600 0.064 0.000 0.989 280 S CA 0.601 58.850 58.200 0.081 0.000 0.951 280 S CB -1.279 61.932 63.200 0.018 0.000 0.759 280 S HN 0.774 nan 8.310 nan 0.000 0.523 281 G N 0.698 109.503 108.800 0.008 0.000 2.509 281 G HA2 0.010 3.961 3.960 -0.014 0.000 0.218 281 G HA3 0.010 3.961 3.960 -0.014 0.000 0.218 281 G C 1.214 176.150 174.900 0.060 0.000 1.124 281 G CA 1.212 46.328 45.100 0.026 0.000 0.776 281 G HN 0.582 nan 8.290 nan 0.000 0.547 282 T N -0.758 113.845 114.554 0.082 0.000 3.058 282 T HA 0.594 4.936 4.350 -0.014 0.000 0.247 282 T C 0.569 175.353 174.700 0.140 0.000 0.987 282 T CA 0.748 62.915 62.100 0.112 0.000 1.062 282 T CB 0.633 69.571 68.868 0.116 0.000 1.048 282 T HN 0.444 nan 8.240 nan 0.000 0.468 283 A N 1.369 124.295 122.820 0.176 0.000 2.606 283 A HA 0.678 4.989 4.320 -0.014 0.000 0.293 283 A C -0.119 177.593 177.584 0.214 0.000 1.082 283 A CA -0.727 51.415 52.037 0.175 0.000 0.685 283 A CB 0.860 19.961 19.000 0.167 0.000 1.284 283 A HN 0.209 nan 8.150 nan 0.000 0.408 284 T N -1.186 113.432 114.554 0.106 0.000 2.847 284 T HA 0.590 4.932 4.350 -0.014 0.000 0.279 284 T C 1.353 175.886 174.700 -0.278 0.000 0.984 284 T CA 0.221 62.345 62.100 0.040 0.000 0.988 284 T CB 1.279 70.161 68.868 0.024 0.000 1.040 284 T HN 1.697 nan 8.240 nan 0.000 0.528 285 A N 0.001 122.472 122.820 -0.582 0.000 1.873 285 A HA -0.049 4.263 4.320 -0.014 0.000 0.215 285 A C 2.285 179.685 177.584 -0.306 0.000 1.186 285 A CA 1.781 53.394 52.037 -0.706 0.000 0.616 285 A CB -1.225 17.398 19.000 -0.627 0.000 0.823 285 A HN 1.049 nan 8.150 nan 0.000 0.442 286 E N -0.296 119.792 120.200 -0.186 0.000 2.097 286 E HA -0.307 4.034 4.350 -0.014 0.000 0.196 286 E C 2.158 178.697 176.600 -0.101 0.000 1.000 286 E CA 1.751 58.081 56.400 -0.117 0.000 0.804 286 E CB -0.164 29.492 29.700 -0.072 0.000 0.740 286 E HN 0.779 nan 8.360 nan 0.000 0.454 287 Q N -0.208 119.540 119.800 -0.087 0.000 2.119 287 Q HA -0.186 4.146 4.340 -0.014 0.000 0.201 287 Q C 2.295 178.237 176.000 -0.097 0.000 0.972 287 Q CA 1.527 57.290 55.803 -0.067 0.000 0.847 287 Q CB -0.000 28.728 28.738 -0.016 0.000 0.903 287 Q HN 0.384 nan 8.270 nan 0.000 0.433 288 Q N 0.193 119.945 119.800 -0.080 0.000 2.119 288 Q HA -0.118 4.213 4.340 -0.014 0.000 0.201 288 Q C 2.034 177.920 176.000 -0.190 0.000 0.972 288 Q CA 0.963 56.734 55.803 -0.053 0.000 0.847 288 Q CB -0.024 28.756 28.738 0.070 0.000 0.903 288 Q HN 0.399 nan 8.270 nan 0.000 0.433 289 I N 1.063 121.547 120.570 -0.143 0.000 2.226 289 I HA -0.295 3.867 4.170 -0.014 0.000 0.245 289 I C 1.573 177.703 176.117 0.022 0.000 1.100 289 I CA 1.128 62.414 61.300 -0.023 0.000 1.374 289 I CB -0.193 37.768 38.000 -0.064 0.000 1.057 289 I HN 0.148 nan 8.210 nan 0.000 0.413 290 D N 0.829 121.186 120.400 -0.072 0.000 2.117 290 D HA -0.140 4.491 4.640 -0.014 0.000 0.197 290 D C 2.247 178.443 176.300 -0.173 0.000 0.987 290 D CA 1.342 55.289 54.000 -0.089 0.000 0.829 290 D CB -0.248 40.499 40.800 -0.089 0.000 0.961 290 D HN 0.317 nan 8.370 nan 0.000 0.460 291 I N 0.451 120.854 120.570 -0.278 0.000 2.208 291 I HA -0.261 3.901 4.170 -0.014 0.000 0.245 291 I C 2.373 178.283 176.117 -0.345 0.000 1.097 291 I CA 0.791 61.823 61.300 -0.446 0.000 1.363 291 I CB -0.138 37.529 38.000 -0.554 0.000 1.051 291 I HN -0.018 nan 8.210 nan 0.000 0.413 292 L N 0.011 121.011 121.223 -0.371 0.000 2.141 292 L HA -0.200 4.131 4.340 -0.014 0.000 0.209 292 L C 2.780 179.381 176.870 -0.448 0.000 1.094 292 L CA 1.855 56.382 54.840 -0.523 0.000 0.763 292 L CB -0.693 40.765 42.059 -1.002 0.000 0.908 292 L HN 0.427 nan 8.230 nan 0.000 0.437 293 T N -2.423 112.000 114.554 -0.218 0.000 2.857 293 T HA -0.193 4.148 4.350 -0.014 0.000 0.266 293 T C 1.753 176.400 174.700 -0.088 0.000 1.048 293 T CA 1.336 63.417 62.100 -0.032 0.000 1.139 293 T CB 0.031 68.958 68.868 0.098 0.000 0.874 293 T HN 0.179 nan 8.240 nan 0.000 0.455 294 E N 1.509 121.632 120.200 -0.129 0.000 2.077 294 E HA 0.097 4.439 4.350 -0.014 0.000 0.193 294 E C 2.333 178.841 176.600 -0.153 0.000 0.989 294 E CA 1.450 57.776 56.400 -0.122 0.000 0.800 294 E CB -0.900 28.728 29.700 -0.121 0.000 0.746 294 E HN 0.639 nan 8.360 nan 0.000 0.452 295 A N 0.742 123.423 122.820 -0.232 0.000 1.972 295 A HA -0.196 4.116 4.320 -0.014 0.000 0.219 295 A C 1.965 179.462 177.584 -0.145 0.000 1.169 295 A CA 1.623 53.518 52.037 -0.237 0.000 0.635 295 A CB -0.407 18.435 19.000 -0.263 0.000 0.810 295 A HN 0.157 nan 8.150 nan 0.000 0.446 296 K N 0.036 120.356 120.400 -0.133 0.000 2.439 296 K HA -0.015 4.296 4.320 -0.014 0.000 0.197 296 K C -0.063 176.498 176.600 -0.065 0.000 1.041 296 K CA 0.426 56.657 56.287 -0.094 0.000 0.970 296 K CB -0.005 32.450 32.500 -0.074 0.000 0.773 296 K HN 0.435 nan 8.250 nan 0.000 0.479 297 K N 1.751 122.112 120.400 -0.064 0.000 2.322 297 K HA 0.035 4.346 4.320 -0.014 0.000 0.283 297 K C -1.755 174.820 176.600 -0.042 0.000 1.042 297 K CA -1.299 54.961 56.287 -0.045 0.000 0.958 297 K CB 0.798 33.273 32.500 -0.041 0.000 0.984 297 K HN -0.108 nan 8.250 nan 0.000 0.473 298 P HA -0.106 nan 4.420 nan 0.000 0.236 298 P C -0.322 176.967 177.300 -0.018 0.000 1.177 298 P CA 1.120 64.205 63.100 -0.024 0.000 0.773 298 P CB 0.296 31.984 31.700 -0.021 0.000 0.878 299 D N -1.719 118.669 120.400 -0.019 0.000 2.740 299 D HA 0.040 4.672 4.640 -0.014 0.000 0.301 299 D C -0.190 176.100 176.300 -0.016 0.000 1.408 299 D CA -0.435 53.556 54.000 -0.015 0.000 0.808 299 D CB -0.401 40.392 40.800 -0.012 0.000 1.128 299 D HN -0.161 nan 8.370 nan 0.000 0.465 300 S N 1.924 117.611 115.700 -0.021 0.000 2.549 300 S HA 0.170 4.631 4.470 -0.014 0.000 0.283 300 S C -1.113 173.479 174.600 -0.014 0.000 1.320 300 S CA -0.693 57.494 58.200 -0.021 0.000 1.058 300 S CB 1.134 64.313 63.200 -0.035 0.000 0.882 300 S HN 0.051 nan 8.310 nan 0.000 0.498 301 P HA 0.089 nan 4.420 nan 0.000 0.236 301 P C 0.857 178.153 177.300 -0.007 0.000 1.177 301 P CA 0.645 63.740 63.100 -0.007 0.000 0.773 301 P CB 0.125 31.822 31.700 -0.005 0.000 0.878 302 I N -0.599 119.969 120.570 -0.004 0.000 2.726 302 I HA 0.076 4.238 4.170 -0.014 0.000 0.243 302 I C 1.331 177.441 176.117 -0.011 0.000 1.082 302 I CA 0.297 61.597 61.300 0.001 0.000 1.447 302 I CB -0.073 37.951 38.000 0.041 0.000 1.250 302 I HN -0.333 nan 8.210 nan 0.000 0.453 303 I N 2.431 122.991 120.570 -0.018 0.000 2.241 303 I HA 0.018 4.179 4.170 -0.014 0.000 0.294 303 I C 1.477 177.582 176.117 -0.019 0.000 1.145 303 I CA -0.071 61.198 61.300 -0.052 0.000 1.261 303 I CB 0.363 38.245 38.000 -0.198 0.000 1.475 303 I HN 0.349 nan 8.210 nan 0.000 0.533 304 T N 0.696 115.255 114.554 0.009 0.000 2.904 304 T HA -0.088 4.254 4.350 -0.014 0.000 0.267 304 T C 0.847 175.566 174.700 0.032 0.000 1.059 304 T CA 0.693 62.801 62.100 0.014 0.000 1.137 304 T CB -0.499 68.376 68.868 0.011 0.000 0.879 304 T HN 0.496 nan 8.240 nan 0.000 0.467 305 N N 2.407 121.151 118.700 0.073 0.000 2.555 305 N HA 0.343 5.074 4.740 -0.014 0.000 0.244 305 N C -0.628 174.942 175.510 0.100 0.000 1.114 305 N CA -0.366 52.744 53.050 0.100 0.000 0.963 305 N CB 0.677 39.260 38.487 0.159 0.000 1.276 305 N HN 0.209 nan 8.380 nan 0.000 0.510 306 S N 1.586 117.305 115.700 0.032 0.000 2.585 306 S HA 0.149 4.611 4.470 -0.014 0.000 0.273 306 S C 1.215 175.785 174.600 -0.050 0.000 1.339 306 S CA -0.661 57.531 58.200 -0.013 0.000 1.028 306 S CB 0.358 63.542 63.200 -0.026 0.000 0.906 306 S HN 0.561 nan 8.310 nan 0.000 0.528 307 I N 1.411 121.907 120.570 -0.122 0.000 3.928 307 I HA 0.313 4.474 4.170 -0.014 0.000 0.335 307 I C 0.715 176.757 176.117 -0.124 0.000 1.325 307 I CA -0.469 60.696 61.300 -0.226 0.000 1.107 307 I CB -0.308 37.374 38.000 -0.529 0.000 1.014 307 I HN 0.590 nan 8.210 nan 0.000 0.400 308 Q N 2.458 122.210 119.800 -0.081 0.000 2.283 308 Q HA 0.144 4.476 4.340 -0.014 0.000 0.301 308 Q C 1.380 177.345 176.000 -0.058 0.000 1.063 308 Q CA 1.593 57.360 55.803 -0.060 0.000 0.952 308 Q CB 0.375 29.085 28.738 -0.048 0.000 1.166 308 Q HN 0.699 nan 8.270 nan 0.000 0.381 309 G N 3.099 111.856 108.800 -0.073 0.000 2.184 309 G HA2 -0.269 3.683 3.960 -0.014 0.000 0.264 309 G HA3 -0.269 3.683 3.960 -0.014 0.000 0.264 309 G C -0.025 174.810 174.900 -0.109 0.000 0.975 309 G CA 0.365 45.389 45.100 -0.127 0.000 0.642 309 G HN 0.523 nan 8.290 nan 0.000 0.536 310 L N 0.616 121.832 121.223 -0.011 0.000 2.399 310 L HA 0.432 4.764 4.340 -0.014 0.000 0.266 310 L C -0.154 176.814 176.870 0.163 0.000 1.114 310 L CA -1.042 53.857 54.840 0.099 0.000 0.804 310 L CB 0.613 42.752 42.059 0.134 0.000 1.146 310 L HN -0.057 nan 8.230 nan 0.000 0.451 311 D N 2.972 123.539 120.400 0.278 0.000 2.339 311 D HA 0.298 4.930 4.640 -0.014 0.000 0.256 311 D C -0.251 176.309 176.300 0.432 0.000 1.214 311 D CA 0.214 54.406 54.000 0.319 0.000 0.877 311 D CB 0.865 41.911 40.800 0.410 0.000 1.111 311 D HN 0.199 nan 8.370 nan 0.000 0.478 312 L N 2.903 124.301 121.223 0.291 0.000 2.275 312 L HA 0.435 4.767 4.340 -0.014 0.000 0.288 312 L C -0.133 176.907 176.870 0.283 0.000 1.046 312 L CA -0.654 54.429 54.840 0.405 0.000 0.805 312 L CB 0.513 42.746 42.059 0.291 0.000 1.193 312 L HN 0.157 nan 8.230 nan 0.000 0.426 313 F N 2.399 122.541 119.950 0.320 0.000 2.508 313 F HA 0.427 4.946 4.527 -0.014 0.000 0.325 313 F C -0.290 175.706 175.800 0.326 0.000 1.090 313 F CA -0.595 57.566 58.000 0.269 0.000 0.945 313 F CB 2.174 41.303 39.000 0.215 0.000 1.156 313 F HN 0.229 nan 8.300 nan 0.000 0.463 314 F N 3.850 123.992 119.950 0.320 0.000 2.402 314 F HA 0.490 5.009 4.527 -0.014 0.000 0.355 314 F C -0.572 175.388 175.800 0.266 0.000 1.123 314 F CA -0.977 57.201 58.000 0.298 0.000 1.021 314 F CB 0.859 39.990 39.000 0.217 0.000 1.160 314 F HN 0.190 nan 8.300 nan 0.000 0.451 315 K N 5.319 125.511 120.400 -0.348 0.000 2.347 315 K HA 0.485 4.796 4.320 -0.014 0.000 0.262 315 K C -0.046 176.194 176.600 -0.599 0.000 1.052 315 K CA -0.428 55.686 56.287 -0.289 0.000 0.946 315 K CB 0.714 33.182 32.500 -0.053 0.000 1.220 315 K HN 0.745 nan 8.250 nan 0.000 0.450 316 G N 2.727 111.279 108.800 -0.414 0.000 2.527 316 G HA2 0.025 3.976 3.960 -0.014 0.000 0.248 316 G HA3 0.025 3.976 3.960 -0.014 0.000 0.248 316 G C -0.646 174.248 174.900 -0.009 0.000 1.231 316 G CA -0.362 44.673 45.100 -0.108 0.000 0.838 316 G HN 0.745 nan 8.290 nan 0.000 0.570 317 H N 2.290 121.365 119.070 0.009 0.000 2.848 317 H HA 0.068 4.615 4.556 -0.014 0.000 0.341 317 H C -1.381 173.932 175.328 -0.024 0.000 1.060 317 H CA -1.312 54.731 56.048 -0.008 0.000 1.444 317 H CB 1.660 31.443 29.762 0.036 0.000 1.446 317 H HN 0.099 nan 8.280 nan 0.000 0.583 318 P HA -0.173 nan 4.420 nan 0.000 0.217 318 P C 1.184 178.526 177.300 0.070 0.000 1.148 318 P CA 2.147 65.206 63.100 -0.067 0.000 0.828 318 P CB 0.227 31.832 31.700 -0.158 0.000 0.783 319 S N -2.607 113.270 115.700 0.295 0.000 2.556 319 S HA 0.371 4.832 4.470 -0.014 0.000 0.216 319 S C 0.948 175.556 174.600 0.013 0.000 0.970 319 S CA -0.280 57.995 58.200 0.126 0.000 0.912 319 S CB -0.533 62.731 63.200 0.106 0.000 0.790 319 S HN 0.068 nan 8.310 nan 0.000 0.504 320 A N 1.942 124.782 122.820 0.033 0.000 2.425 320 A HA 0.526 4.838 4.320 -0.014 0.000 0.249 320 A C 1.106 178.642 177.584 -0.079 0.000 1.084 320 A CA 0.168 52.126 52.037 -0.132 0.000 0.781 320 A CB 0.238 19.221 19.000 -0.028 0.000 1.019 320 A HN 0.588 nan 8.150 nan 0.000 0.490 321 T N -1.901 112.535 114.554 -0.197 0.000 3.091 321 T HA 0.161 4.502 4.350 -0.014 0.000 0.277 321 T C 0.309 175.039 174.700 0.049 0.000 0.996 321 T CA 0.508 62.580 62.100 -0.047 0.000 0.897 321 T CB -0.289 68.549 68.868 -0.051 0.000 1.109 321 T HN 0.844 nan 8.240 nan 0.000 0.534 322 Y N 0.372 120.719 120.300 0.079 0.000 2.607 322 Y HA 0.558 5.099 4.550 -0.014 0.000 0.266 322 Y C 1.002 176.929 175.900 0.046 0.000 1.178 322 Y CA -2.522 55.610 58.100 0.054 0.000 1.226 322 Y CB -1.772 36.715 38.460 0.044 0.000 1.144 322 Y HN 0.108 nan 8.280 nan 0.000 0.528 323 N N 0.708 119.636 118.700 0.379 0.000 2.149 323 N HA -0.238 4.494 4.740 -0.014 0.000 0.188 323 N C 1.571 177.084 175.510 0.006 0.000 1.019 323 N CA 1.360 54.565 53.050 0.258 0.000 0.857 323 N CB -0.046 38.691 38.487 0.417 0.000 0.997 323 N HN 0.242 nan 8.380 nan 0.000 0.426 324 Q N 1.374 121.207 119.800 0.056 0.000 2.124 324 Q HA -0.122 4.209 4.340 -0.014 0.000 0.202 324 Q C 1.766 177.727 176.000 -0.064 0.000 0.977 324 Q CA 1.513 57.315 55.803 -0.002 0.000 0.850 324 Q CB -0.023 28.734 28.738 0.031 0.000 0.901 324 Q HN 0.435 nan 8.270 nan 0.000 0.429 325 Q N -0.509 119.261 119.800 -0.049 0.000 2.061 325 Q HA -0.161 4.170 4.340 -0.014 0.000 0.204 325 Q C 2.098 177.994 176.000 -0.174 0.000 0.984 325 Q CA 1.693 57.442 55.803 -0.090 0.000 0.846 325 Q CB -0.205 28.495 28.738 -0.063 0.000 0.902 325 Q HN 0.466 nan 8.270 nan 0.000 0.421 326 I N 0.324 120.739 120.570 -0.258 0.000 2.202 326 I HA -0.269 3.893 4.170 -0.014 0.000 0.242 326 I C 2.249 178.142 176.117 -0.374 0.000 1.091 326 I CA 1.073 62.151 61.300 -0.369 0.000 1.368 326 I CB -0.303 37.344 38.000 -0.588 0.000 1.058 326 I HN 0.164 nan 8.210 nan 0.000 0.410 327 I N 0.836 121.140 120.570 -0.443 0.000 2.264 327 I HA -0.307 3.854 4.170 -0.014 0.000 0.248 327 I C 2.016 178.050 176.117 -0.138 0.000 1.111 327 I CA 1.409 62.543 61.300 -0.278 0.000 1.382 327 I CB -0.404 37.492 38.000 -0.172 0.000 1.060 327 I HN 0.255 nan 8.210 nan 0.000 0.418 328 D N 0.826 121.144 120.400 -0.136 0.000 2.123 328 D HA -0.068 4.563 4.640 -0.014 0.000 0.200 328 D C 2.257 178.470 176.300 -0.145 0.000 0.976 328 D CA 1.405 55.340 54.000 -0.108 0.000 0.831 328 D CB -0.189 40.556 40.800 -0.091 0.000 0.974 328 D HN 0.298 nan 8.370 nan 0.000 0.469 329 A N 0.088 122.783 122.820 -0.209 0.000 2.070 329 A HA -0.166 4.146 4.320 -0.014 0.000 0.220 329 A C 1.387 178.650 177.584 -0.536 0.000 1.159 329 A CA 1.294 53.122 52.037 -0.350 0.000 0.656 329 A CB -0.383 18.381 19.000 -0.393 0.000 0.800 329 A HN 0.311 nan 8.150 nan 0.000 0.453 330 H N -1.745 117.250 119.070 -0.125 0.000 3.058 330 H HA 0.113 4.660 4.556 -0.014 0.000 0.266 330 H C -0.255 175.035 175.328 -0.064 0.000 1.135 330 H CA -0.005 55.984 56.048 -0.099 0.000 1.174 330 H CB 0.303 29.994 29.762 -0.118 0.000 1.581 330 H HN 0.410 nan 8.280 nan 0.000 0.553 331 N N 1.192 119.896 118.700 0.006 0.000 2.688 331 N HA -0.181 4.551 4.740 -0.014 0.000 0.258 331 N C -0.362 175.157 175.510 0.016 0.000 1.016 331 N CA 0.685 53.735 53.050 -0.000 0.000 0.747 331 N CB -1.402 37.082 38.487 -0.005 0.000 0.895 331 N HN 0.456 nan 8.380 nan 0.000 0.543 332 M N 0.225 119.840 119.600 0.026 0.000 2.367 332 M HA 0.403 4.874 4.480 -0.014 0.000 0.339 332 M C 0.827 177.124 176.300 -0.006 0.000 1.177 332 M CA -0.699 54.629 55.300 0.046 0.000 1.068 332 M CB 1.352 34.039 32.600 0.146 0.000 1.602 332 M HN 0.006 nan 8.290 nan 0.000 0.457 333 I N 1.888 122.376 120.570 -0.137 0.000 2.505 333 I HA 0.014 4.176 4.170 -0.014 0.000 0.287 333 I C 0.629 176.756 176.117 0.016 0.000 1.104 333 I CA 0.127 61.292 61.300 -0.225 0.000 1.387 333 I CB 0.073 37.608 38.000 -0.774 0.000 1.404 333 I HN 0.669 nan 8.210 nan 0.000 0.528 334 E N 7.630 127.891 120.200 0.101 0.000 2.290 334 E HA 0.272 4.614 4.350 -0.014 0.000 0.277 334 E C -0.825 175.917 176.600 0.237 0.000 1.035 334 E CA -0.458 56.077 56.400 0.226 0.000 0.873 334 E CB 0.788 30.607 29.700 0.199 0.000 1.029 334 E HN 0.487 nan 8.360 nan 0.000 0.419 335 I N 5.459 126.195 120.570 0.277 0.000 2.312 335 I HA 0.061 4.223 4.170 -0.014 0.000 0.290 335 I C -0.308 175.946 176.117 0.229 0.000 1.008 335 I CA -0.999 60.432 61.300 0.220 0.000 1.226 335 I CB 0.554 38.641 38.000 0.145 0.000 1.371 335 I HN 0.590 nan 8.210 nan 0.000 0.468 336 Y N 6.954 127.307 120.300 0.089 0.000 2.916 336 Y HA -0.204 4.338 4.550 -0.014 0.000 0.344 336 Y C 1.471 177.401 175.900 0.049 0.000 1.282 336 Y CA -0.029 58.118 58.100 0.078 0.000 1.604 336 Y CB 0.110 38.611 38.460 0.069 0.000 1.207 336 Y HN 0.730 nan 8.280 nan 0.000 0.561 337 N N 3.181 121.818 118.700 -0.106 0.000 2.205 337 N HA -0.198 4.533 4.740 -0.014 0.000 0.186 337 N C 1.006 176.305 175.510 -0.350 0.000 1.015 337 N CA 1.301 54.254 53.050 -0.162 0.000 0.862 337 N CB 0.014 38.500 38.487 -0.002 0.000 0.986 337 N HN 0.416 nan 8.380 nan 0.000 0.429 338 K N 0.437 120.394 120.400 -0.739 0.000 2.365 338 K HA 0.075 4.387 4.320 -0.014 0.000 0.199 338 K C 0.351 176.730 176.600 -0.368 0.000 1.045 338 K CA 0.191 56.135 56.287 -0.572 0.000 0.962 338 K CB -0.169 31.908 32.500 -0.705 0.000 0.759 338 K HN 0.411 nan 8.250 nan 0.000 0.469 339 I N 4.943 125.316 120.570 -0.328 0.000 2.581 339 I HA -0.013 4.148 4.170 -0.014 0.000 0.285 339 I C -2.001 173.974 176.117 -0.238 0.000 1.129 339 I CA -1.675 59.484 61.300 -0.235 0.000 1.397 339 I CB 0.272 38.099 38.000 -0.288 0.000 1.399 339 I HN -0.126 nan 8.210 nan 0.000 0.537 340 P HA -0.057 nan 4.420 nan 0.000 0.271 340 P C 0.568 177.772 177.300 -0.161 0.000 1.216 340 P CA 0.011 63.039 63.100 -0.121 0.000 0.771 340 P CB 0.649 32.337 31.700 -0.021 0.000 0.864 341 F N 3.329 123.122 119.950 -0.262 0.000 2.202 341 F HA -0.245 4.274 4.527 -0.014 0.000 0.301 341 F C 2.124 177.751 175.800 -0.288 0.000 1.082 341 F CA 1.639 59.459 58.000 -0.300 0.000 1.313 341 F CB -0.059 38.739 39.000 -0.338 0.000 1.024 341 F HN 0.329 nan 8.300 nan 0.000 0.495 342 E N 0.490 120.673 120.200 -0.029 0.000 2.265 342 E HA -0.213 4.128 4.350 -0.014 0.000 0.196 342 E C 2.210 178.807 176.600 -0.004 0.000 0.996 342 E CA 1.086 57.442 56.400 -0.074 0.000 0.832 342 E CB -1.147 28.615 29.700 0.104 0.000 0.756 342 E HN 0.478 nan 8.360 nan 0.000 0.491 343 A N 2.040 124.822 122.820 -0.064 0.000 1.933 343 A HA -0.067 4.245 4.320 -0.014 0.000 0.218 343 A C 2.473 179.949 177.584 -0.179 0.000 1.175 343 A CA 1.085 53.113 52.037 -0.015 0.000 0.628 343 A CB -0.691 18.185 19.000 -0.207 0.000 0.814 343 A HN 0.222 nan 8.150 nan 0.000 0.444 344 L N -0.666 120.277 121.223 -0.466 0.000 2.046 344 L HA -0.193 4.138 4.340 -0.014 0.000 0.208 344 L C 2.478 179.166 176.870 -0.305 0.000 1.077 344 L CA 1.323 55.895 54.840 -0.446 0.000 0.747 344 L CB -0.666 40.873 42.059 -0.866 0.000 0.896 344 L HN 0.371 nan 8.230 nan 0.000 0.432 345 I N -0.821 119.561 120.570 -0.314 0.000 2.142 345 I HA -0.318 3.844 4.170 -0.014 0.000 0.240 345 I C 2.596 178.628 176.117 -0.141 0.000 1.078 345 I CA 1.276 62.429 61.300 -0.244 0.000 1.343 345 I CB -0.205 37.525 38.000 -0.450 0.000 1.046 345 I HN 0.257 nan 8.210 nan 0.000 0.405 346 M N 0.805 120.352 119.600 -0.089 0.000 2.213 346 M HA -0.146 4.326 4.480 -0.014 0.000 0.263 346 M C 2.170 177.983 176.300 -0.811 0.000 1.062 346 M CA 2.015 57.167 55.300 -0.246 0.000 1.105 346 M CB -0.670 31.744 32.600 -0.311 0.000 1.385 346 M HN 0.366 nan 8.290 nan 0.000 0.417 347 T N -3.344 110.827 114.554 -0.638 0.000 3.169 347 T HA 0.116 4.458 4.350 -0.014 0.000 0.250 347 T C 0.626 175.155 174.700 -0.284 0.000 1.111 347 T CA 0.513 62.197 62.100 -0.694 0.000 1.010 347 T CB -0.525 68.334 68.868 -0.015 0.000 0.984 347 T HN 0.487 nan 8.240 nan 0.000 0.537 348 D N 0.960 121.230 120.400 -0.216 0.000 2.689 348 D HA -0.178 4.454 4.640 -0.014 0.000 0.237 348 D C 0.142 176.437 176.300 -0.008 0.000 1.148 348 D CA 0.757 54.710 54.000 -0.078 0.000 0.656 348 D CB -1.427 39.362 40.800 -0.018 0.000 1.050 348 D HN 0.773 nan 8.370 nan 0.000 0.426 349 A N 0.883 123.702 122.820 -0.001 0.000 3.232 349 A HA 0.501 4.812 4.320 -0.014 0.000 0.312 349 A C -0.411 177.255 177.584 0.136 0.000 1.185 349 A CA -0.520 51.597 52.037 0.134 0.000 1.011 349 A CB 0.196 19.272 19.000 0.126 0.000 1.096 349 A HN 0.174 nan 8.150 nan 0.000 0.543 350 L N 1.776 122.981 121.223 -0.029 0.000 2.334 350 L HA 0.627 4.958 4.340 -0.014 0.000 0.275 350 L C -1.873 174.721 176.870 -0.460 0.000 1.036 350 L CA -1.981 52.759 54.840 -0.167 0.000 0.807 350 L CB 1.262 43.239 42.059 -0.138 0.000 1.231 350 L HN 0.327 nan 8.230 nan 0.000 0.438 351 P HA 0.249 nan 4.420 nan 0.000 0.297 351 P C -0.314 176.792 177.300 -0.324 0.000 1.307 351 P CA -0.363 62.377 63.100 -0.600 0.000 0.773 351 P CB 1.329 32.813 31.700 -0.359 0.000 1.265 352 D N -1.165 119.100 120.400 -0.224 0.000 2.194 352 D HA 0.150 4.781 4.640 -0.014 0.000 0.204 352 D C 0.645 176.922 176.300 -0.038 0.000 0.964 352 D CA 1.117 55.056 54.000 -0.101 0.000 0.846 352 D CB 0.375 41.152 40.800 -0.038 0.000 0.962 352 D HN 0.452 nan 8.370 nan 0.000 0.490 353 A N -0.136 122.679 122.820 -0.009 0.000 2.609 353 A HA 0.593 4.905 4.320 -0.014 0.000 0.291 353 A C -1.419 176.108 177.584 -0.096 0.000 1.096 353 A CA -0.496 51.573 52.037 0.054 0.000 0.684 353 A CB 2.196 21.343 19.000 0.245 0.000 1.282 353 A HN -0.060 nan 8.150 nan 0.000 0.412 354 V N -0.696 119.131 119.914 -0.145 0.000 3.114 354 V HA 0.936 5.047 4.120 -0.014 0.000 0.308 354 V C 0.109 176.020 176.094 -0.304 0.000 1.168 354 V CA 0.608 62.632 62.300 -0.461 0.000 1.015 354 V CB 2.508 34.122 31.823 -0.349 0.000 1.050 354 V HN 2.132 nan 8.190 nan 0.000 0.433 355 G N 0.953 109.438 108.800 -0.524 0.000 2.547 355 G HA2 0.774 4.725 3.960 -0.014 0.000 0.291 355 G HA3 0.774 4.725 3.960 -0.014 0.000 0.291 355 G C -0.355 174.229 174.900 -0.525 0.000 1.471 355 G CA 0.343 45.076 45.100 -0.612 0.000 0.798 355 G HN 1.747 nan 8.290 nan 0.000 0.504 356 G N -0.532 108.025 108.800 -0.406 0.000 2.480 356 G HA2 0.462 4.413 3.960 -0.014 0.000 0.109 356 G HA3 0.462 4.413 3.960 -0.014 0.000 0.109 356 G C -0.934 173.906 174.900 -0.101 0.000 1.172 356 G CA -0.251 44.538 45.100 -0.517 0.000 1.091 356 G HN 0.892 nan 8.290 nan 0.000 0.464 357 M N 1.569 121.093 119.600 -0.128 0.000 2.472 357 M HA 0.550 5.021 4.480 -0.014 0.000 0.331 357 M C 0.959 177.238 176.300 -0.034 0.000 1.170 357 M CA -0.525 54.761 55.300 -0.025 0.000 1.009 357 M CB 0.505 33.145 32.600 0.066 0.000 1.672 357 M HN 1.080 nan 8.290 nan 0.000 0.453 358 G N 1.439 110.074 108.800 -0.274 0.000 2.178 358 G HA2 0.236 4.187 3.960 -0.014 0.000 0.244 358 G HA3 0.236 4.187 3.960 -0.014 0.000 0.244 358 G C -0.174 174.808 174.900 0.137 0.000 1.213 358 G CA 0.177 45.148 45.100 -0.214 0.000 0.912 358 G HN 0.708 nan 8.290 nan 0.000 0.474 359 S N 0.786 116.662 115.700 0.292 0.000 2.543 359 S HA 0.400 4.861 4.470 -0.014 0.000 0.274 359 S C 1.170 175.980 174.600 0.350 0.000 1.149 359 S CA -0.020 58.342 58.200 0.271 0.000 0.866 359 S CB 1.110 64.378 63.200 0.114 0.000 1.111 359 S HN 0.540 nan 8.310 nan 0.000 0.457 360 S N 1.750 117.596 115.700 0.243 0.000 2.419 360 S HA -0.115 4.346 4.470 -0.014 0.000 0.235 360 S C 1.949 176.655 174.600 0.176 0.000 1.019 360 S CA 1.524 59.874 58.200 0.249 0.000 0.982 360 S CB -0.346 62.912 63.200 0.095 0.000 0.789 360 S HN 0.593 nan 8.310 nan 0.000 0.490 361 V N 1.202 121.067 119.914 -0.083 0.000 2.317 361 V HA -0.238 3.874 4.120 -0.014 0.000 0.251 361 V C 1.841 177.662 176.094 -0.455 0.000 1.065 361 V CA 1.864 63.917 62.300 -0.411 0.000 1.049 361 V CB -0.892 30.422 31.823 -0.847 0.000 0.651 361 V HN 0.488 nan 8.190 nan 0.000 0.450 362 F N -1.254 118.540 119.950 -0.259 0.000 2.451 362 F HA -0.052 4.466 4.527 -0.014 0.000 0.299 362 F C 1.944 177.550 175.800 -0.324 0.000 1.101 362 F CA 1.146 58.943 58.000 -0.339 0.000 1.436 362 F CB -0.703 38.074 39.000 -0.372 0.000 1.074 362 F HN 0.108 nan 8.300 nan 0.000 0.553 363 F N -0.258 119.662 119.950 -0.051 0.000 2.325 363 F HA -0.132 4.386 4.527 -0.015 0.000 0.299 363 F C 2.480 178.216 175.800 -0.107 0.000 1.090 363 F CA 1.211 59.148 58.000 -0.106 0.000 1.392 363 F CB -0.517 38.403 39.000 -0.133 0.000 1.053 363 F HN -0.048 nan 8.300 nan 0.000 0.521 364 S N -0.799 114.902 115.700 0.002 0.000 2.524 364 S HA 0.151 4.613 4.470 -0.014 0.000 0.215 364 S C 0.449 174.772 174.600 -0.462 0.000 0.986 364 S CA -0.332 57.755 58.200 -0.190 0.000 0.911 364 S CB -0.409 62.616 63.200 -0.292 0.000 0.805 364 S HN 0.085 nan 8.310 nan 0.000 0.501 365 L N 3.878 124.903 121.223 -0.330 0.000 2.513 365 L HA 0.384 4.715 4.340 -0.014 0.000 0.272 365 L C -2.575 174.162 176.870 -0.221 0.000 1.187 365 L CA -1.663 52.992 54.840 -0.309 0.000 0.895 365 L CB -0.195 41.678 42.059 -0.310 0.000 1.147 365 L HN -0.002 nan 8.230 nan 0.000 0.483 366 P HA 0.072 nan 4.420 nan 0.000 0.266 366 P C -0.049 177.202 177.300 -0.082 0.000 1.195 366 P CA 0.069 63.105 63.100 -0.106 0.000 0.768 366 P CB 0.272 31.922 31.700 -0.084 0.000 0.838 367 N N 0.384 119.053 118.700 -0.052 0.000 2.571 367 N HA -0.104 4.627 4.740 -0.014 0.000 0.189 367 N C 0.728 176.213 175.510 -0.041 0.000 1.154 367 N CA 0.533 53.554 53.050 -0.048 0.000 0.907 367 N CB -0.426 38.040 38.487 -0.036 0.000 0.977 367 N HN 0.384 nan 8.380 nan 0.000 0.449 368 T N -1.584 112.946 114.554 -0.040 0.000 3.023 368 T HA -0.014 4.327 4.350 -0.014 0.000 0.266 368 T C 1.047 175.720 174.700 -0.045 0.000 1.093 368 T CA 0.124 62.203 62.100 -0.036 0.000 1.129 368 T CB -0.419 68.428 68.868 -0.034 0.000 0.899 368 T HN 0.158 nan 8.240 nan 0.000 0.491 369 V N 2.136 122.013 119.914 -0.061 0.000 2.488 369 V HA 0.291 4.403 4.120 -0.014 0.000 0.277 369 V C 0.186 176.249 176.094 -0.051 0.000 1.046 369 V CA -1.097 61.163 62.300 -0.067 0.000 0.986 369 V CB 0.699 32.467 31.823 -0.093 0.000 0.989 369 V HN 0.518 nan 8.190 nan 0.000 0.475 370 E N 5.549 125.732 120.200 -0.028 0.000 2.366 370 E HA 0.021 4.363 4.350 -0.014 0.000 0.266 370 E C -0.067 176.528 176.600 -0.008 0.000 1.015 370 E CA 0.029 56.424 56.400 -0.008 0.000 0.906 370 E CB 0.351 30.063 29.700 0.021 0.000 0.979 370 E HN 0.907 nan 8.360 nan 0.000 0.443 371 N N 4.662 123.348 118.700 -0.023 0.000 2.439 371 N HA 0.054 4.786 4.740 -0.014 0.000 0.249 371 N C 0.551 176.041 175.510 -0.033 0.000 1.003 371 N CA -0.314 52.710 53.050 -0.044 0.000 0.942 371 N CB 0.553 38.989 38.487 -0.086 0.000 1.115 371 N HN 0.434 nan 8.380 nan 0.000 0.505 372 K N 2.650 123.037 120.400 -0.022 0.000 2.186 372 K HA 0.041 4.352 4.320 -0.014 0.000 0.202 372 K C -0.449 176.257 176.600 0.178 0.000 1.052 372 K CA 0.961 57.297 56.287 0.081 0.000 0.965 372 K CB 0.103 32.721 32.500 0.196 0.000 0.746 372 K HN 0.563 nan 8.250 nan 0.000 0.457 373 F N -1.473 118.521 119.950 0.072 0.000 2.725 373 F HA 0.460 4.979 4.527 -0.014 0.000 0.311 373 F C -1.566 174.179 175.800 -0.091 0.000 1.121 373 F CA -1.501 56.502 58.000 0.006 0.000 0.978 373 F CB 0.756 39.832 39.000 0.126 0.000 1.274 373 F HN -0.328 nan 8.300 nan 0.000 0.440 374 I N 2.638 123.175 120.570 -0.054 0.000 2.499 374 I HA 0.446 4.608 4.170 -0.014 0.000 0.288 374 I C -1.410 174.549 176.117 -0.263 0.000 1.048 374 I CA -0.586 60.526 61.300 -0.313 0.000 1.062 374 I CB 2.096 39.610 38.000 -0.810 0.000 1.238 374 I HN 0.541 nan 8.210 nan 0.000 0.426 375 F N 4.905 124.723 119.950 -0.221 0.000 2.404 375 F HA 0.504 5.022 4.527 -0.014 0.000 0.339 375 F C -0.464 175.144 175.800 -0.320 0.000 1.105 375 F CA -0.322 57.610 58.000 -0.114 0.000 1.087 375 F CB 1.163 40.200 39.000 0.062 0.000 1.143 375 F HN 0.253 nan 8.300 nan 0.000 0.491 376 Y N 1.560 121.947 120.300 0.145 0.000 2.446 376 Y HA 0.295 4.837 4.550 -0.013 0.000 0.345 376 Y C -0.110 175.863 175.900 0.122 0.000 0.984 376 Y CA -1.406 56.753 58.100 0.099 0.000 1.058 376 Y CB 1.554 40.022 38.460 0.014 0.000 1.220 376 Y HN 0.356 nan 8.280 nan 0.000 0.455 377 K N 2.667 123.223 120.400 0.261 0.000 2.315 377 K HA 0.451 4.762 4.320 -0.014 0.000 0.291 377 K C -0.670 176.026 176.600 0.160 0.000 1.074 377 K CA 0.386 56.785 56.287 0.187 0.000 0.936 377 K CB 0.365 32.956 32.500 0.152 0.000 1.049 377 K HN 0.753 nan 8.250 nan 0.000 0.471 382 I N -1.886 118.642 120.570 -0.070 0.000 3.059 382 I HA 0.240 4.402 4.170 -0.014 0.000 0.270 382 I C 1.503 177.544 176.117 -0.126 0.000 1.238 382 I CA 0.651 61.878 61.300 -0.122 0.000 1.478 382 I CB 0.122 38.034 38.000 -0.147 0.000 1.097 382 I HN -0.125 nan 8.210 nan 0.000 0.455 383 E N 1.711 121.866 120.200 -0.075 0.000 2.204 383 E HA -0.109 4.232 4.350 -0.014 0.000 0.194 383 E C 1.437 178.022 176.600 -0.024 0.000 0.989 383 E CA 1.354 57.724 56.400 -0.049 0.000 0.824 383 E CB -0.505 29.183 29.700 -0.020 0.000 0.756 383 E HN 0.708 nan 8.360 nan 0.000 0.477 384 N N 0.231 118.915 118.700 -0.026 0.000 2.336 384 N HA -0.021 4.710 4.740 -0.014 0.000 0.189 384 N C 0.047 175.544 175.510 -0.022 0.000 1.113 384 N CA -0.142 52.912 53.050 0.007 0.000 0.858 384 N CB 0.242 38.735 38.487 0.011 0.000 0.970 384 N HN -0.033 nan 8.380 nan 0.000 0.471 385 N N 1.452 120.093 118.700 -0.099 0.000 2.406 385 N HA 0.143 4.874 4.740 -0.014 0.000 0.251 385 N C 0.638 175.989 175.510 -0.265 0.000 1.069 385 N CA -0.075 52.887 53.050 -0.147 0.000 0.947 385 N CB 1.127 39.501 38.487 -0.190 0.000 1.111 385 N HN 0.107 nan 8.380 nan 0.000 0.497 386 A N 4.367 127.064 122.820 -0.205 0.000 1.908 386 A HA -0.182 4.129 4.320 -0.014 0.000 0.218 386 A C 1.960 179.331 177.584 -0.354 0.000 1.181 386 A CA 1.016 52.834 52.037 -0.366 0.000 0.627 386 A CB -0.484 18.534 19.000 0.030 0.000 0.818 386 A HN 0.672 nan 8.150 nan 0.000 0.445 387 L N -0.060 121.072 121.223 -0.151 0.000 2.017 387 L HA -0.123 4.208 4.340 -0.014 0.000 0.208 387 L C 2.276 179.034 176.870 -0.186 0.000 1.073 387 L CA 1.782 56.600 54.840 -0.037 0.000 0.745 387 L CB -0.361 41.753 42.059 0.091 0.000 0.894 387 L HN 0.452 nan 8.230 nan 0.000 0.432 388 I N -0.932 119.370 120.570 -0.448 0.000 2.179 388 I HA -0.282 3.880 4.170 -0.014 0.000 0.242 388 I C 2.490 178.361 176.117 -0.410 0.000 1.088 388 I CA 0.970 61.880 61.300 -0.651 0.000 1.357 388 I CB -0.453 37.084 38.000 -0.771 0.000 1.051 388 I HN 0.362 nan 8.210 nan 0.000 0.409 389 Q N 0.048 119.574 119.800 -0.456 0.000 2.084 389 Q HA -0.161 4.170 4.340 -0.014 0.000 0.202 389 Q C 2.399 178.207 176.000 -0.319 0.000 0.978 389 Q CA 1.312 56.851 55.803 -0.440 0.000 0.844 389 Q CB -0.822 27.517 28.738 -0.665 0.000 0.898 389 Q HN 0.418 nan 8.270 nan 0.000 0.426 390 V N 0.619 120.338 119.914 -0.325 0.000 2.515 390 V HA -0.211 3.900 4.120 -0.014 0.000 0.250 390 V C 2.065 178.147 176.094 -0.019 0.000 1.058 390 V CA 1.250 63.542 62.300 -0.013 0.000 1.064 390 V CB -0.229 31.700 31.823 0.177 0.000 0.675 390 V HN 0.318 nan 8.190 nan 0.000 0.461 391 M N -0.989 118.548 119.600 -0.106 0.000 2.200 391 M HA -0.082 4.389 4.480 -0.014 0.000 0.265 391 M C 2.008 178.200 176.300 -0.181 0.000 1.066 391 M CA 1.905 57.072 55.300 -0.222 0.000 1.127 391 M CB -0.324 32.138 32.600 -0.230 0.000 1.379 391 M HN 0.285 nan 8.290 nan 0.000 0.420 392 I N 0.048 120.529 120.570 -0.150 0.000 2.179 392 I HA -0.252 3.909 4.170 -0.014 0.000 0.242 392 I C 2.424 178.497 176.117 -0.073 0.000 1.088 392 I CA 1.078 62.310 61.300 -0.113 0.000 1.357 392 I CB -0.407 37.527 38.000 -0.111 0.000 1.051 392 I HN 0.235 nan 8.210 nan 0.000 0.409 393 E N 0.702 120.876 120.200 -0.042 0.000 2.160 393 E HA -0.174 4.168 4.350 -0.014 0.000 0.195 393 E C 2.111 178.705 176.600 -0.010 0.000 0.991 393 E CA 1.211 57.612 56.400 0.002 0.000 0.810 393 E CB -0.266 29.472 29.700 0.063 0.000 0.742 393 E HN 0.512 nan 8.360 nan 0.000 0.466 394 L N 0.938 122.138 121.223 -0.038 0.000 2.599 394 L HA 0.048 4.379 4.340 -0.014 0.000 0.230 394 L C 0.064 176.885 176.870 -0.081 0.000 1.141 394 L CA -0.032 54.775 54.840 -0.055 0.000 0.877 394 L CB -0.336 41.668 42.059 -0.091 0.000 1.009 394 L HN 0.066 nan 8.230 nan 0.000 0.447 395 N N -0.168 118.483 118.700 -0.082 0.000 2.725 395 N HA -0.248 4.484 4.740 -0.014 0.000 0.249 395 N C 0.949 176.390 175.510 -0.115 0.000 1.103 395 N CA 0.845 53.845 53.050 -0.083 0.000 0.707 395 N CB -1.420 37.036 38.487 -0.052 0.000 1.043 395 N HN 0.428 nan 8.380 nan 0.000 0.553 396 I N -0.526 119.940 120.570 -0.174 0.000 2.439 396 I HA -0.063 4.098 4.170 -0.014 0.000 0.251 396 I C 1.058 177.054 176.117 -0.201 0.000 1.139 396 I CA 0.981 62.147 61.300 -0.222 0.000 1.438 396 I CB 0.272 38.043 38.000 -0.382 0.000 1.085 396 I HN 0.102 nan 8.210 nan 0.000 0.427 397 V N 0.801 120.606 119.914 -0.182 0.000 2.851 397 V HA 0.345 4.456 4.120 -0.014 0.000 0.307 397 V C -1.008 175.021 176.094 -0.108 0.000 1.129 397 V CA -0.924 61.281 62.300 -0.160 0.000 0.932 397 V CB 2.021 33.723 31.823 -0.200 0.000 1.024 397 V HN 0.079 nan 8.190 nan 0.000 0.426 398 N N 3.892 122.544 118.700 -0.080 0.000 2.492 398 N HA 0.162 4.894 4.740 -0.014 0.000 0.262 398 N C 1.055 176.529 175.510 -0.060 0.000 1.202 398 N CA 0.241 53.256 53.050 -0.058 0.000 0.926 398 N CB 0.993 39.457 38.487 -0.038 0.000 1.078 398 N HN 0.756 nan 8.380 nan 0.000 0.454 399 R N 2.247 122.712 120.500 -0.058 0.000 2.117 399 R HA -0.139 4.192 4.340 -0.014 0.000 0.243 399 R C 0.535 176.801 176.300 -0.055 0.000 1.143 399 R CA 1.398 57.460 56.100 -0.062 0.000 0.968 399 R CB 0.089 30.357 30.300 -0.055 0.000 0.863 399 R HN 0.474 nan 8.270 nan 0.000 0.444 400 N N 0.633 119.308 118.700 -0.042 0.000 2.512 400 N HA -0.096 4.636 4.740 -0.014 0.000 0.183 400 N C 0.151 175.641 175.510 -0.034 0.000 1.073 400 N CA 0.951 53.979 53.050 -0.035 0.000 0.911 400 N CB 0.077 38.550 38.487 -0.023 0.000 0.964 400 N HN 0.306 nan 8.380 nan 0.000 0.447 401 D N -0.287 120.094 120.400 -0.032 0.000 2.369 401 D HA 0.077 4.709 4.640 -0.014 0.000 0.211 401 D C -0.026 176.249 176.300 -0.043 0.000 1.077 401 D CA 0.040 54.032 54.000 -0.013 0.000 0.842 401 D CB 0.866 41.671 40.800 0.008 0.000 0.947 401 D HN -0.085 nan 8.370 nan 0.000 0.509 402 V N 1.666 121.545 119.914 -0.059 0.000 2.470 402 V HA 0.136 4.248 4.120 -0.014 0.000 0.276 402 V C 0.293 176.303 176.094 -0.140 0.000 1.040 402 V CA 0.098 62.376 62.300 -0.037 0.000 1.008 402 V CB 0.845 32.643 31.823 -0.042 0.000 0.990 402 V HN -0.127 nan 8.190 nan 0.000 0.477 403 K N 4.484 124.715 120.400 -0.281 0.000 2.385 403 K HA 0.730 5.042 4.320 -0.014 0.000 0.248 403 K C -1.073 175.313 176.600 -0.357 0.000 0.955 403 K CA -0.489 55.470 56.287 -0.547 0.000 0.816 403 K CB 2.147 33.847 32.500 -1.333 0.000 1.250 403 K HN 0.471 nan 8.250 nan 0.000 0.434 404 L N 3.311 124.441 121.223 -0.156 0.000 2.331 404 L HA 0.447 4.779 4.340 -0.014 0.000 0.275 404 L C 1.081 178.116 176.870 0.276 0.000 1.022 404 L CA -0.676 54.215 54.840 0.086 0.000 0.812 404 L CB 1.237 43.337 42.059 0.069 0.000 1.257 404 L HN 0.612 nan 8.230 nan 0.000 0.435 405 I N 0.557 121.334 120.570 0.345 0.000 2.454 405 I HA -0.257 3.905 4.170 -0.014 0.000 0.254 405 I C 2.328 178.567 176.117 0.205 0.000 1.156 405 I CA 1.357 62.857 61.300 0.334 0.000 1.433 405 I CB -0.054 38.082 38.000 0.225 0.000 1.082 405 I HN 0.830 nan 8.210 nan 0.000 0.432 406 S N -0.295 115.497 115.700 0.153 0.000 2.507 406 S HA -0.147 4.314 4.470 -0.014 0.000 0.235 406 S C 1.395 176.053 174.600 0.098 0.000 0.988 406 S CA 0.863 59.123 58.200 0.102 0.000 0.944 406 S CB -0.384 62.861 63.200 0.075 0.000 0.762 406 S HN 0.381 nan 8.310 nan 0.000 0.526 407 D N 1.669 122.150 120.400 0.134 0.000 2.350 407 D HA 0.098 4.730 4.640 -0.014 0.000 0.216 407 D C 0.981 177.354 176.300 0.121 0.000 0.968 407 D CA 0.614 54.685 54.000 0.118 0.000 0.894 407 D CB -0.049 40.819 40.800 0.113 0.000 0.909 407 D HN 0.528 nan 8.370 nan 0.000 0.520 408 L N 0.000 121.300 121.223 0.128 0.000 2.949 408 L HA 0.000 4.332 4.340 -0.014 0.000 0.249 408 L CA 0.000 54.879 54.840 0.064 0.000 0.813 408 L CB 0.000 42.079 42.059 0.033 0.000 0.961 408 L HN 0.000 nan 8.230 nan 0.000 0.502