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 1qrc_1_A DATA FIRST_RESID 113 DATA SEQUENCE YSIEADKKFK YSVKLSDYPT LQDAASAAVD GLLIDRDYNF YGGETVDFGG DATA SEQUENCE KVLTIECKAK FIGDGNLIFT KLGKGSRIAG VFMESTTTPW VIKPWTDDNQ DATA SEQUENCE WLTDAAAVVA TLKQSKTDGY QPTVSDYVKF PGIETLLPPN AKGQNITSTL DATA SEQUENCE EIRECIGVEV HRASGLMAGF LFRGCHFCKM VDANNPSGGK DGIITFENLS DATA SEQUENCE GDWGKGNYVI GGRTSYGSVS SAQFLRNNGG FERDGGVIGF TSYRAGESGV DATA SEQUENCE KTWQGTVGST TSRNYNLQFR DSVVIYPVAD GFDLGADTXX XXXXDRPGDY DATA SEQUENCE PITQYPLHQL PLNHLIDNLL VRGALGVGFG MDGKGMYVSN ITVEDCAGSG DATA SEQUENCE AYLLTHESVF TNIAIIDTNT KDFQANQIYI SGACRVNGLR LIGIRXXXXX DATA SEQUENCE SLTIDAPNST VSGITGMVDP SRINVANLAE EGLGNIRANS FGYDSAAIKL DATA SEQUENCE RIHKLSKTLD SGALYSHING GAGSGSAYTQ LTAISGSTPD AVSLKVNHKD DATA SEQUENCE CRGAEIPFVP DIASDDFIKD SSCFLPYWEN NSTSLKALVK KPNGELVRLT DATA SEQUENCE LATL 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 113 Y HA 0.000 nan 4.550 nan 0.000 0.201 113 Y C 0.000 175.917 175.900 0.028 0.000 1.272 113 Y CA 0.000 58.113 58.100 0.022 0.000 1.940 113 Y CB 0.000 38.481 38.460 0.034 0.000 1.050 114 S N 1.868 117.566 115.700 -0.004 0.000 2.372 114 S HA -0.246 4.225 4.470 0.000 0.000 0.227 114 S C 1.637 176.164 174.600 -0.122 0.000 1.044 114 S CA 1.806 59.963 58.200 -0.071 0.000 1.050 114 S CB -0.728 62.491 63.200 0.031 0.000 0.901 114 S HN 0.465 nan 8.310 nan 0.000 0.447 115 I N 2.551 123.074 120.570 -0.078 0.000 2.163 115 I HA -0.159 4.012 4.170 0.000 0.000 0.243 115 I C 2.870 178.912 176.117 -0.126 0.000 1.085 115 I CA 1.867 63.127 61.300 -0.067 0.000 1.347 115 I CB -1.568 36.411 38.000 -0.036 0.000 1.044 115 I HN 0.557 nan 8.210 nan 0.000 0.408 116 E N 1.122 121.205 120.200 -0.194 0.000 2.031 116 E HA -0.199 4.151 4.350 0.000 0.000 0.193 116 E C 2.325 178.680 176.600 -0.408 0.000 0.994 116 E CA 1.461 57.705 56.400 -0.259 0.000 0.800 116 E CB 0.021 29.582 29.700 -0.231 0.000 0.752 116 E HN 0.386 nan 8.360 nan 0.000 0.447 117 A N 1.358 123.804 122.820 -0.623 0.000 1.917 117 A HA -0.251 4.069 4.320 0.000 0.000 0.219 117 A C 1.818 179.246 177.584 -0.261 0.000 1.182 117 A CA 2.134 53.827 52.037 -0.574 0.000 0.633 117 A CB -0.760 17.925 19.000 -0.525 0.000 0.819 117 A HN 0.322 nan 8.150 nan 0.000 0.448 118 D N -0.516 119.801 120.400 -0.138 0.000 2.221 118 D HA -0.095 4.545 4.640 0.000 0.000 0.204 118 D C 1.751 178.103 176.300 0.088 0.000 0.982 118 D CA 1.310 55.334 54.000 0.039 0.000 0.857 118 D CB -0.096 40.745 40.800 0.070 0.000 0.934 118 D HN 0.576 nan 8.370 nan 0.000 0.475 119 K N -0.240 120.126 120.400 -0.055 0.000 2.367 119 K HA 0.081 4.401 4.320 0.000 0.000 0.194 119 K C 1.475 178.006 176.600 -0.114 0.000 1.027 119 K CA 0.188 56.449 56.287 -0.043 0.000 1.075 119 K CB 0.534 32.995 32.500 -0.065 0.000 0.845 119 K HN 0.156 nan 8.250 nan 0.000 0.529 120 K N -0.394 119.825 120.400 -0.302 0.000 2.374 120 K HA 0.176 4.496 4.320 0.000 0.000 0.202 120 K C -0.277 176.063 176.600 -0.433 0.000 1.040 120 K CA -0.200 55.833 56.287 -0.423 0.000 1.085 120 K CB 0.394 32.532 32.500 -0.603 0.000 0.873 120 K HN -0.200 nan 8.250 nan 0.000 0.539 121 F N 2.032 121.969 119.950 -0.023 0.000 2.507 121 F HA 0.402 4.929 4.527 0.000 0.000 0.327 121 F C 0.103 175.888 175.800 -0.024 0.000 1.068 121 F CA -1.785 56.181 58.000 -0.057 0.000 0.965 121 F CB 1.612 40.529 39.000 -0.138 0.000 1.192 121 F HN -0.233 nan 8.300 nan 0.000 0.476 122 K N 1.886 122.423 120.400 0.229 0.000 2.339 122 K HA 0.204 4.524 4.320 0.000 0.000 0.286 122 K C -1.478 175.184 176.600 0.103 0.000 1.050 122 K CA 0.110 56.506 56.287 0.181 0.000 0.956 122 K CB -0.210 32.366 32.500 0.127 0.000 0.990 122 K HN 0.461 nan 8.250 nan 0.000 0.475 123 Y N 2.528 122.870 120.300 0.070 0.000 2.377 123 Y HA 0.265 4.815 4.550 0.000 0.000 0.330 123 Y C 0.599 176.526 175.900 0.045 0.000 1.108 123 Y CA 0.453 58.588 58.100 0.057 0.000 1.308 123 Y CB 1.262 39.749 38.460 0.046 0.000 1.216 123 Y HN 0.608 nan 8.280 nan 0.000 0.518 124 S N 2.749 118.525 115.700 0.127 0.000 2.582 124 S HA 0.498 4.969 4.470 0.000 0.000 0.287 124 S C -1.388 173.269 174.600 0.094 0.000 1.146 124 S CA -0.905 57.354 58.200 0.099 0.000 0.941 124 S CB 0.192 63.430 63.200 0.063 0.000 1.115 124 S HN 0.659 nan 8.310 nan 0.000 0.458 125 V N 2.516 122.499 119.914 0.114 0.000 2.732 125 V HA 0.884 5.004 4.120 0.000 0.000 0.310 125 V C -0.713 175.484 176.094 0.173 0.000 1.053 125 V CA -0.815 61.586 62.300 0.170 0.000 0.957 125 V CB 1.540 33.463 31.823 0.167 0.000 1.018 125 V HN 0.969 nan 8.190 nan 0.000 0.452 126 K N 2.908 123.453 120.400 0.241 0.000 2.316 126 K HA 0.557 4.877 4.320 0.000 0.000 0.251 126 K C 0.141 176.915 176.600 0.290 0.000 0.934 126 K CA -0.852 55.550 56.287 0.191 0.000 0.802 126 K CB 2.397 34.962 32.500 0.108 0.000 1.171 126 K HN 0.510 nan 8.250 nan 0.000 0.426 127 L N 2.524 123.890 121.223 0.239 0.000 2.189 127 L HA -0.218 4.122 4.340 0.000 0.000 0.214 127 L C 2.068 179.081 176.870 0.238 0.000 1.097 127 L CA 2.335 57.342 54.840 0.279 0.000 0.764 127 L CB -0.580 41.603 42.059 0.206 0.000 0.900 127 L HN 0.934 nan 8.230 nan 0.000 0.436 128 S N -2.287 113.497 115.700 0.140 0.000 2.500 128 S HA -0.127 4.343 4.470 0.000 0.000 0.239 128 S C 1.437 176.025 174.600 -0.020 0.000 0.989 128 S CA 1.053 59.296 58.200 0.071 0.000 0.951 128 S CB -0.526 62.700 63.200 0.043 0.000 0.759 128 S HN 0.510 nan 8.310 nan 0.000 0.523 129 D N -0.016 120.306 120.400 -0.130 0.000 2.339 129 D HA 0.225 4.865 4.640 0.000 0.000 0.217 129 D C -0.583 175.235 176.300 -0.803 0.000 1.050 129 D CA 0.351 54.065 54.000 -0.478 0.000 0.856 129 D CB 0.173 40.567 40.800 -0.677 0.000 0.922 129 D HN 0.490 nan 8.370 nan 0.000 0.518 130 Y N -0.471 119.866 120.300 0.063 0.000 2.570 130 Y HA 0.296 4.846 4.550 0.000 0.000 0.345 130 Y C -1.479 174.483 175.900 0.103 0.000 1.014 130 Y CA -1.977 56.164 58.100 0.068 0.000 1.063 130 Y CB 1.477 39.968 38.460 0.052 0.000 1.272 130 Y HN -0.291 nan 8.280 nan 0.000 0.477 131 P HA -0.007 nan 4.420 nan 0.000 0.220 131 P C 0.168 177.646 177.300 0.296 0.000 1.154 131 P CA 1.021 64.247 63.100 0.209 0.000 0.830 131 P CB 0.600 32.390 31.700 0.150 0.000 0.803 132 T N -3.430 111.295 114.554 0.285 0.000 2.930 132 T HA 0.363 4.713 4.350 0.000 0.000 0.290 132 T C 0.712 175.478 174.700 0.111 0.000 1.052 132 T CA -0.804 61.481 62.100 0.308 0.000 1.017 132 T CB 1.449 70.445 68.868 0.213 0.000 1.137 132 T HN -0.189 nan 8.240 nan 0.000 0.511 133 L N 0.872 122.022 121.223 -0.123 0.000 2.093 133 L HA 0.084 4.424 4.340 0.000 0.000 0.208 133 L C 2.626 179.323 176.870 -0.287 0.000 1.085 133 L CA 1.929 56.550 54.840 -0.365 0.000 0.755 133 L CB -1.240 40.421 42.059 -0.664 0.000 0.904 133 L HN 0.919 nan 8.230 nan 0.000 0.435 134 Q N -0.301 119.364 119.800 -0.224 0.000 2.124 134 Q HA -0.205 4.135 4.340 0.000 0.000 0.202 134 Q C 1.827 177.687 176.000 -0.234 0.000 0.977 134 Q CA 2.043 57.688 55.803 -0.264 0.000 0.850 134 Q CB -0.303 28.336 28.738 -0.165 0.000 0.901 134 Q HN 0.555 nan 8.270 nan 0.000 0.429 135 D N -0.358 119.952 120.400 -0.149 0.000 2.097 135 D HA -0.134 4.506 4.640 0.000 0.000 0.195 135 D C 1.625 177.637 176.300 -0.479 0.000 0.989 135 D CA 1.508 55.413 54.000 -0.160 0.000 0.827 135 D CB -0.277 40.556 40.800 0.055 0.000 0.966 135 D HN 0.411 nan 8.370 nan 0.000 0.456 136 A N 1.263 123.719 122.820 -0.607 0.000 1.902 136 A HA -0.074 4.246 4.320 0.000 0.000 0.217 136 A C 2.346 179.648 177.584 -0.470 0.000 1.181 136 A CA 2.248 53.753 52.037 -0.886 0.000 0.623 136 A CB -0.671 18.098 19.000 -0.385 0.000 0.818 136 A HN 0.242 nan 8.150 nan 0.000 0.443 137 A N -0.628 121.984 122.820 -0.347 0.000 1.933 137 A HA -0.070 4.250 4.320 0.000 0.000 0.218 137 A C 2.407 179.857 177.584 -0.223 0.000 1.175 137 A CA 2.055 53.919 52.037 -0.288 0.000 0.628 137 A CB -0.787 17.818 19.000 -0.658 0.000 0.814 137 A HN 0.451 nan 8.150 nan 0.000 0.444 138 S N -0.469 115.083 115.700 -0.247 0.000 2.423 138 S HA 0.078 4.548 4.470 0.000 0.000 0.231 138 S C 2.092 176.619 174.600 -0.122 0.000 1.014 138 S CA 0.968 59.071 58.200 -0.161 0.000 0.965 138 S CB -0.219 62.899 63.200 -0.137 0.000 0.785 138 S HN 0.773 nan 8.310 nan 0.000 0.495 139 A N 1.209 123.918 122.820 -0.185 0.000 2.030 139 A HA 0.589 4.909 4.320 0.000 0.000 0.215 139 A C 1.195 178.753 177.584 -0.043 0.000 1.164 139 A CA 0.435 52.407 52.037 -0.109 0.000 0.697 139 A CB -0.518 18.377 19.000 -0.174 0.000 0.827 139 A HN 0.463 nan 8.150 nan 0.000 0.457 140 A N -0.502 122.278 122.820 -0.066 0.000 2.531 140 A HA 0.409 4.729 4.320 0.000 0.000 0.236 140 A C 0.979 178.581 177.584 0.029 0.000 1.062 140 A CA 0.509 52.550 52.037 0.006 0.000 0.760 140 A CB 0.395 19.405 19.000 0.017 0.000 0.995 140 A HN 0.474 nan 8.150 nan 0.000 0.501 141 V N 1.051 120.998 119.914 0.056 0.000 3.029 141 V HA 0.083 4.203 4.120 0.000 0.000 0.230 141 V C 1.483 177.584 176.094 0.011 0.000 1.254 141 V CA 1.416 63.729 62.300 0.021 0.000 1.276 141 V CB 0.090 31.920 31.823 0.012 0.000 1.080 141 V HN 1.002 nan 8.190 nan 0.000 0.495 142 D N -0.343 120.091 120.400 0.057 0.000 3.239 142 D HA 0.225 4.865 4.640 0.000 0.000 0.265 142 D C 0.892 177.222 176.300 0.049 0.000 1.442 142 D CA 1.194 55.222 54.000 0.047 0.000 1.178 142 D CB 0.713 41.565 40.800 0.086 0.000 1.198 142 D HN 0.326 nan 8.370 nan 0.000 0.366 143 G N 0.320 109.167 108.800 0.078 0.000 2.471 143 G HA2 0.574 4.534 3.960 0.000 0.000 0.332 143 G HA3 0.574 4.534 3.960 0.000 0.000 0.332 143 G C -1.566 173.370 174.900 0.059 0.000 1.176 143 G CA -0.331 44.803 45.100 0.057 0.000 0.949 143 G HN 0.234 nan 8.290 nan 0.000 0.488 144 L N 0.863 122.115 121.223 0.049 0.000 2.528 144 L HA 0.623 4.963 4.340 0.000 0.000 0.267 144 L C -1.587 175.324 176.870 0.068 0.000 0.961 144 L CA -0.850 54.026 54.840 0.060 0.000 0.866 144 L CB 1.863 43.954 42.059 0.053 0.000 1.248 144 L HN 0.458 nan 8.230 nan 0.000 0.404 145 L N 6.169 127.439 121.223 0.078 0.000 2.287 145 L HA 0.606 4.946 4.340 0.000 0.000 0.287 145 L C -0.856 176.065 176.870 0.086 0.000 1.022 145 L CA -0.218 54.665 54.840 0.072 0.000 0.814 145 L CB 1.157 43.251 42.059 0.058 0.000 1.217 145 L HN 0.483 nan 8.230 nan 0.000 0.420 146 I N 5.731 126.344 120.570 0.072 0.000 2.269 146 I HA 0.192 4.362 4.170 0.000 0.000 0.293 146 I C 0.318 176.454 176.117 0.032 0.000 1.106 146 I CA -0.094 61.243 61.300 0.063 0.000 1.248 146 I CB 0.261 38.248 38.000 -0.023 0.000 1.444 146 I HN 0.660 nan 8.210 nan 0.000 0.497 147 D N 5.910 126.345 120.400 0.060 0.000 2.402 147 D HA 0.077 4.717 4.640 0.000 0.000 0.216 147 D C 0.421 176.749 176.300 0.047 0.000 1.128 147 D CA -0.262 53.763 54.000 0.041 0.000 0.833 147 D CB 0.524 41.349 40.800 0.042 0.000 0.971 147 D HN 0.593 nan 8.370 nan 0.000 0.503 148 R N -0.940 119.604 120.500 0.074 0.000 2.643 148 R HA 0.401 4.741 4.340 0.000 0.000 0.269 148 R C -1.571 174.806 176.300 0.128 0.000 1.037 148 R CA -0.786 55.367 56.100 0.088 0.000 0.894 148 R CB 0.639 31.004 30.300 0.108 0.000 1.238 148 R HN -0.373 nan 8.270 nan 0.000 0.459 149 D N 1.540 122.004 120.400 0.108 0.000 2.443 149 D HA 0.023 4.663 4.640 0.000 0.000 0.239 149 D C -1.099 175.362 176.300 0.269 0.000 1.136 149 D CA 0.742 54.831 54.000 0.147 0.000 0.879 149 D CB 0.502 41.353 40.800 0.086 0.000 1.195 149 D HN 0.442 nan 8.370 nan 0.000 0.443 150 Y N 1.901 122.346 120.300 0.241 0.000 2.338 150 Y HA 0.214 4.764 4.550 0.000 0.000 0.333 150 Y C -0.537 175.560 175.900 0.329 0.000 0.968 150 Y CA -0.852 57.438 58.100 0.315 0.000 1.123 150 Y CB 0.949 39.694 38.460 0.475 0.000 1.165 150 Y HN 0.208 nan 8.280 nan 0.000 0.452 151 N N 7.443 125.993 118.700 -0.250 0.000 2.414 151 N HA 0.209 4.949 4.740 0.000 0.000 0.256 151 N C -1.178 174.151 175.510 -0.301 0.000 1.029 151 N CA -0.086 52.837 53.050 -0.211 0.000 0.948 151 N CB 0.986 39.356 38.487 -0.194 0.000 1.102 151 N HN 0.527 nan 8.380 nan 0.000 0.496 152 F N 0.970 120.870 119.950 -0.084 0.000 2.483 152 F HA 0.598 5.125 4.527 0.000 0.000 0.329 152 F C -0.306 175.477 175.800 -0.028 0.000 1.064 152 F CA -1.480 56.478 58.000 -0.069 0.000 0.986 152 F CB 0.384 39.384 39.000 0.000 0.000 1.218 152 F HN 0.311 nan 8.300 nan 0.000 0.484 153 Y N 0.011 120.422 120.300 0.186 0.000 2.387 153 Y HA 0.773 5.323 4.550 0.000 0.000 0.330 153 Y C 0.378 176.419 175.900 0.235 0.000 1.133 153 Y CA -2.131 56.018 58.100 0.082 0.000 1.152 153 Y CB 0.484 38.970 38.460 0.044 0.000 1.215 153 Y HN 1.018 nan 8.280 nan 0.000 0.466 154 G N 0.765 109.744 108.800 0.298 0.000 2.272 154 G HA2 0.368 4.328 3.960 0.000 0.000 0.247 154 G HA3 0.368 4.328 3.960 0.000 0.000 0.247 154 G C 0.903 175.936 174.900 0.222 0.000 1.272 154 G CA 0.127 45.370 45.100 0.239 0.000 0.921 154 G HN 1.907 nan 8.290 nan 0.000 0.495 155 G N 1.396 110.252 108.800 0.093 0.000 2.194 155 G HA2 -0.257 3.704 3.960 0.000 0.000 0.236 155 G HA3 -0.257 3.704 3.960 0.000 0.000 0.236 155 G C 0.421 175.302 174.900 -0.031 0.000 0.987 155 G CA 0.366 45.501 45.100 0.058 0.000 0.635 155 G HN 0.980 nan 8.290 nan 0.000 0.520 156 E N 1.621 121.654 120.200 -0.277 0.000 2.498 156 E HA 0.365 4.715 4.350 0.000 0.000 0.252 156 E C -0.126 176.335 176.600 -0.232 0.000 1.025 156 E CA 0.612 56.700 56.400 -0.520 0.000 0.938 156 E CB 0.149 29.346 29.700 -0.840 0.000 0.947 156 E HN 0.203 nan 8.360 nan 0.000 0.478 157 T N 3.778 118.258 114.554 -0.123 0.000 2.824 157 T HA 0.401 4.751 4.350 0.000 0.000 0.280 157 T C -0.750 173.884 174.700 -0.110 0.000 0.995 157 T CA -0.687 61.366 62.100 -0.078 0.000 1.009 157 T CB 1.442 70.289 68.868 -0.035 0.000 0.955 157 T HN 0.224 nan 8.240 nan 0.000 0.452 158 V N 3.176 123.012 119.914 -0.130 0.000 2.448 158 V HA 0.402 4.523 4.120 0.000 0.000 0.295 158 V C -0.425 175.408 176.094 -0.435 0.000 1.025 158 V CA -0.915 61.164 62.300 -0.368 0.000 0.859 158 V CB 1.831 33.309 31.823 -0.575 0.000 0.988 158 V HN 0.831 nan 8.190 nan 0.000 0.431 159 D N 3.303 123.437 120.400 -0.443 0.000 2.280 159 D HA 0.348 4.988 4.640 0.000 0.000 0.236 159 D C -0.024 176.011 176.300 -0.442 0.000 1.082 159 D CA -0.362 53.462 54.000 -0.292 0.000 0.834 159 D CB 1.306 42.011 40.800 -0.158 0.000 1.100 159 D HN 0.383 nan 8.370 nan 0.000 0.486 160 F N 1.499 121.377 119.950 -0.121 0.000 2.660 160 F HA 0.241 4.768 4.527 0.000 0.000 0.302 160 F C 2.093 177.843 175.800 -0.085 0.000 1.103 160 F CA -0.007 57.914 58.000 -0.132 0.000 1.340 160 F CB 0.305 39.209 39.000 -0.160 0.000 1.048 160 F HN 0.645 nan 8.300 nan 0.000 0.551 161 G N 0.606 109.432 108.800 0.045 0.000 2.296 161 G HA2 -0.183 3.777 3.960 0.000 0.000 0.282 161 G HA3 -0.183 3.777 3.960 0.000 0.000 0.282 161 G C 1.331 176.257 174.900 0.043 0.000 1.014 161 G CA 0.399 45.515 45.100 0.026 0.000 0.812 161 G HN 1.119 nan 8.290 nan 0.000 0.508 162 G N -1.531 107.311 108.800 0.069 0.000 2.153 162 G HA2 -0.312 3.648 3.960 0.000 0.000 0.252 162 G HA3 -0.312 3.648 3.960 0.000 0.000 0.252 162 G C 0.383 175.306 174.900 0.038 0.000 0.994 162 G CA 1.141 46.272 45.100 0.052 0.000 0.698 162 G HN 0.980 nan 8.290 nan 0.000 0.521 163 K N -0.119 120.310 120.400 0.048 0.000 2.270 163 K HA 0.457 4.777 4.320 0.000 0.000 0.276 163 K C 0.493 177.092 176.600 -0.002 0.000 1.023 163 K CA -0.561 55.740 56.287 0.023 0.000 0.955 163 K CB 1.798 34.319 32.500 0.035 0.000 0.975 163 K HN 0.009 nan 8.250 nan 0.000 0.471 164 V N 5.800 125.707 119.914 -0.012 0.000 2.338 164 V HA 0.153 4.273 4.120 0.000 0.000 0.255 164 V C 0.016 176.090 176.094 -0.033 0.000 1.082 164 V CA -0.233 62.053 62.300 -0.022 0.000 0.951 164 V CB -0.608 31.207 31.823 -0.012 0.000 1.102 164 V HN 0.536 nan 8.190 nan 0.000 0.489 165 L N 3.714 124.896 121.223 -0.067 0.000 2.322 165 L HA 0.646 4.986 4.340 0.000 0.000 0.269 165 L C 0.277 177.105 176.870 -0.070 0.000 1.012 165 L CA -0.457 54.340 54.840 -0.071 0.000 0.815 165 L CB 2.227 44.217 42.059 -0.115 0.000 1.295 165 L HN 0.382 nan 8.230 nan 0.000 0.438 166 T N 2.666 117.197 114.554 -0.039 0.000 2.874 166 T HA 0.522 4.872 4.350 0.000 0.000 0.321 166 T C -0.138 174.554 174.700 -0.014 0.000 1.075 166 T CA -0.217 61.867 62.100 -0.026 0.000 0.966 166 T CB 0.222 69.083 68.868 -0.011 0.000 1.001 166 T HN 0.234 nan 8.240 nan 0.000 0.476 167 I N 2.979 123.539 120.570 -0.016 0.000 2.304 167 I HA 0.295 4.465 4.170 0.000 0.000 0.291 167 I C 0.579 176.729 176.117 0.055 0.000 1.018 167 I CA -0.460 60.853 61.300 0.023 0.000 1.260 167 I CB 0.956 38.969 38.000 0.022 0.000 1.390 167 I HN 0.516 nan 8.210 nan 0.000 0.475 168 E N 6.222 126.454 120.200 0.054 0.000 2.133 168 E HA 0.389 4.739 4.350 0.000 0.000 0.274 168 E C -1.410 175.220 176.600 0.049 0.000 0.930 168 E CA -0.657 55.772 56.400 0.048 0.000 0.770 168 E CB 1.125 30.846 29.700 0.034 0.000 1.104 168 E HN 0.629 nan 8.360 nan 0.000 0.403 169 C N 4.568 123.895 119.300 0.044 0.000 2.295 169 C HA 0.397 4.857 4.460 0.000 0.000 0.331 169 C C 0.731 175.719 174.990 -0.002 0.000 1.280 169 C CA -0.621 58.397 59.018 0.000 0.000 1.746 169 C CB 0.325 28.049 27.740 -0.025 0.000 2.328 169 C HN 0.805 nan 8.230 nan 0.000 0.521 170 K N 1.157 121.543 120.400 -0.023 0.000 2.564 170 K HA 0.490 4.810 4.320 0.000 0.000 0.201 170 K C 0.034 176.607 176.600 -0.045 0.000 1.086 170 K CA 0.089 56.364 56.287 -0.019 0.000 1.062 170 K CB 0.856 33.353 32.500 -0.004 0.000 0.849 170 K HN 0.789 nan 8.250 nan 0.000 0.529 171 A N 0.907 123.680 122.820 -0.078 0.000 2.568 171 A HA 0.578 4.899 4.320 0.000 0.000 0.291 171 A C -1.455 176.049 177.584 -0.134 0.000 1.159 171 A CA -0.874 51.110 52.037 -0.089 0.000 0.679 171 A CB 1.150 20.126 19.000 -0.040 0.000 1.285 171 A HN 0.057 nan 8.150 nan 0.000 0.428 172 K N -0.324 120.032 120.400 -0.072 0.000 2.095 172 K HA 0.643 4.963 4.320 0.000 0.000 0.252 172 K C -1.678 174.990 176.600 0.113 0.000 0.977 172 K CA -0.264 56.045 56.287 0.036 0.000 0.900 172 K CB 0.924 33.501 32.500 0.127 0.000 1.060 172 K HN 0.365 nan 8.250 nan 0.000 0.449 173 F N 2.193 122.354 119.950 0.352 0.000 2.332 173 F HA 0.383 4.910 4.527 0.000 0.000 0.368 173 F C 0.000 176.088 175.800 0.479 0.000 1.110 173 F CA -1.055 57.215 58.000 0.450 0.000 1.087 173 F CB 0.458 39.656 39.000 0.330 0.000 1.235 173 F HN 0.200 nan 8.300 nan 0.000 0.470 174 I N 3.176 124.038 120.570 0.486 0.000 2.339 174 I HA 0.778 4.948 4.170 0.000 0.000 0.290 174 I C 0.361 176.227 176.117 -0.420 0.000 0.994 174 I CA -0.431 60.941 61.300 0.119 0.000 1.191 174 I CB 1.355 39.392 38.000 0.063 0.000 1.343 174 I HN 0.656 nan 8.210 nan 0.000 0.458 175 G N 4.253 112.690 108.800 -0.604 0.000 2.384 175 G HA2 0.184 4.144 3.960 0.000 0.000 0.300 175 G HA3 0.184 4.144 3.960 0.000 0.000 0.300 175 G C -1.985 172.618 174.900 -0.494 0.000 1.582 175 G CA -0.807 43.685 45.100 -1.012 0.000 0.875 175 G HN 0.389 nan 8.290 nan 0.000 0.628 176 D N -0.114 120.123 120.400 -0.271 0.000 2.283 176 D HA 0.700 5.340 4.640 0.000 0.000 0.248 176 D C 0.990 177.304 176.300 0.024 0.000 1.072 176 D CA 1.523 55.484 54.000 -0.066 0.000 0.929 176 D CB 1.564 42.338 40.800 -0.044 0.000 1.182 176 D HN 1.518 nan 8.370 nan 0.000 0.433 177 G N 1.460 110.316 108.800 0.092 0.000 2.582 177 G HA2 -0.175 3.785 3.960 0.000 0.000 0.222 177 G HA3 -0.175 3.785 3.960 0.000 0.000 0.222 177 G C -0.835 174.183 174.900 0.196 0.000 1.311 177 G CA -0.895 44.284 45.100 0.132 0.000 0.915 177 G HN 0.495 nan 8.290 nan 0.000 0.528 178 N N -0.601 118.157 118.700 0.097 0.000 2.399 178 N HA 0.629 5.370 4.740 0.000 0.000 0.295 178 N C -0.565 174.789 175.510 -0.260 0.000 1.048 178 N CA -0.505 52.487 53.050 -0.097 0.000 0.886 178 N CB 1.810 40.219 38.487 -0.129 0.000 1.185 178 N HN 0.740 nan 8.380 nan 0.000 0.487 179 L N 3.109 123.946 121.223 -0.643 0.000 2.295 179 L HA 0.571 4.911 4.340 0.000 0.000 0.281 179 L C -1.190 175.324 176.870 -0.593 0.000 1.018 179 L CA -0.341 53.981 54.840 -0.862 0.000 0.841 179 L CB 0.187 41.331 42.059 -1.525 0.000 1.218 179 L HN 0.503 nan 8.230 nan 0.000 0.424 180 I N 5.620 126.001 120.570 -0.316 0.000 2.315 180 I HA 0.275 4.445 4.170 0.000 0.000 0.291 180 I C -0.730 175.465 176.117 0.129 0.000 1.006 180 I CA -0.196 61.014 61.300 -0.150 0.000 1.265 180 I CB 0.568 38.510 38.000 -0.096 0.000 1.387 180 I HN 0.366 nan 8.210 nan 0.000 0.475 181 F N 4.515 124.410 119.950 -0.091 0.000 2.411 181 F HA 0.501 5.028 4.527 0.000 0.000 0.352 181 F C 0.672 176.529 175.800 0.095 0.000 1.123 181 F CA -1.117 56.942 58.000 0.099 0.000 1.044 181 F CB 1.712 40.780 39.000 0.113 0.000 1.135 181 F HN 0.410 nan 8.300 nan 0.000 0.461 182 T N -0.778 113.958 114.554 0.302 0.000 2.901 182 T HA 0.475 4.825 4.350 0.000 0.000 0.293 182 T C -0.401 174.433 174.700 0.222 0.000 1.084 182 T CA -1.118 61.094 62.100 0.186 0.000 1.008 182 T CB 1.937 70.856 68.868 0.085 0.000 1.170 182 T HN 0.530 nan 8.240 nan 0.000 0.509 183 K N 0.399 120.888 120.400 0.148 0.000 3.148 183 K HA -0.139 4.181 4.320 0.000 0.000 0.267 183 K C -0.568 176.126 176.600 0.157 0.000 0.996 183 K CA 0.133 56.498 56.287 0.129 0.000 0.737 183 K CB -1.830 30.723 32.500 0.089 0.000 1.308 183 K HN 0.537 nan 8.250 nan 0.000 0.470 184 L N 0.711 122.002 121.223 0.113 0.000 2.292 184 L HA 0.307 4.647 4.340 0.000 0.000 0.284 184 L C 1.298 178.186 176.870 0.031 0.000 1.065 184 L CA -0.292 54.552 54.840 0.007 0.000 0.806 184 L CB 1.222 43.219 42.059 -0.103 0.000 1.175 184 L HN 0.326 nan 8.230 nan 0.000 0.431 185 G N 2.148 110.955 108.800 0.013 0.000 2.544 185 G HA2 0.055 4.015 3.960 0.000 0.000 0.242 185 G HA3 0.055 4.015 3.960 0.000 0.000 0.242 185 G C -0.318 174.601 174.900 0.032 0.000 1.247 185 G CA -0.484 44.630 45.100 0.025 0.000 0.840 185 G HN 0.649 nan 8.290 nan 0.000 0.578 186 K N 0.417 120.843 120.400 0.043 0.000 2.447 186 K HA 0.355 4.675 4.320 0.000 0.000 0.281 186 K C 1.229 177.851 176.600 0.036 0.000 1.031 186 K CA 0.973 57.293 56.287 0.055 0.000 1.019 186 K CB -0.088 32.438 32.500 0.044 0.000 0.918 186 K HN 1.091 nan 8.250 nan 0.000 0.476 187 G N 2.234 111.064 108.800 0.050 0.000 2.184 187 G HA2 -0.208 3.752 3.960 0.000 0.000 0.206 187 G HA3 -0.208 3.752 3.960 0.000 0.000 0.206 187 G C -0.216 174.699 174.900 0.025 0.000 0.995 187 G CA -0.017 45.103 45.100 0.035 0.000 0.651 187 G HN 0.615 nan 8.290 nan 0.000 0.511 188 S N 0.816 116.529 115.700 0.021 0.000 2.576 188 S HA 0.627 5.098 4.470 0.000 0.000 0.276 188 S C 0.452 175.070 174.600 0.029 0.000 1.339 188 S CA 0.361 58.555 58.200 -0.010 0.000 1.039 188 S CB 0.928 64.089 63.200 -0.065 0.000 0.902 188 S HN 0.887 nan 8.310 nan 0.000 0.516 189 R N 1.033 121.538 120.500 0.009 0.000 2.604 189 R HA 0.648 4.988 4.340 0.000 0.000 0.281 189 R C -1.806 174.522 176.300 0.047 0.000 1.020 189 R CA -0.710 55.422 56.100 0.052 0.000 0.899 189 R CB 0.762 31.052 30.300 -0.016 0.000 1.205 189 R HN 0.497 nan 8.270 nan 0.000 0.450 190 I N 2.186 122.830 120.570 0.124 0.000 2.406 190 I HA 0.589 4.759 4.170 0.000 0.000 0.290 190 I C -0.439 175.774 176.117 0.159 0.000 0.999 190 I CA -0.899 60.486 61.300 0.141 0.000 1.124 190 I CB 2.098 40.220 38.000 0.203 0.000 1.289 190 I HN 0.855 nan 8.210 nan 0.000 0.441 191 A N 3.951 126.842 122.820 0.119 0.000 2.371 191 A HA 0.730 5.050 4.320 0.000 0.000 0.311 191 A C 0.601 178.249 177.584 0.108 0.000 1.068 191 A CA 0.023 52.131 52.037 0.117 0.000 0.744 191 A CB 1.360 20.396 19.000 0.060 0.000 1.239 191 A HN 1.147 nan 8.150 nan 0.000 0.435 192 G N 0.683 109.552 108.800 0.115 0.000 2.148 192 G HA2 -0.049 3.911 3.960 0.000 0.000 0.254 192 G HA3 -0.049 3.911 3.960 0.000 0.000 0.254 192 G C 0.575 175.559 174.900 0.139 0.000 0.981 192 G CA 0.308 45.477 45.100 0.115 0.000 0.670 192 G HN 2.125 nan 8.290 nan 0.000 0.528 193 V N 0.178 120.187 119.914 0.158 0.000 2.617 193 V HA 0.507 4.628 4.120 0.000 0.000 0.304 193 V C 0.164 176.425 176.094 0.279 0.000 1.040 193 V CA 0.259 62.678 62.300 0.198 0.000 1.149 193 V CB 0.715 32.727 31.823 0.316 0.000 0.914 193 V HN 0.561 nan 8.190 nan 0.000 0.487 194 F N 8.478 128.480 119.950 0.088 0.000 2.445 194 F HA 0.607 5.134 4.527 0.000 0.000 0.348 194 F C -0.159 175.745 175.800 0.172 0.000 1.125 194 F CA -1.044 57.038 58.000 0.137 0.000 0.983 194 F CB 1.409 40.448 39.000 0.066 0.000 1.198 194 F HN 0.392 nan 8.300 nan 0.000 0.436 195 M N 4.964 124.603 119.600 0.065 0.000 2.209 195 M HA 0.359 4.839 4.480 0.000 0.000 0.355 195 M C -0.678 175.673 176.300 0.084 0.000 1.171 195 M CA -0.180 55.193 55.300 0.123 0.000 1.069 195 M CB 1.230 33.763 32.600 -0.112 0.000 1.622 195 M HN 0.634 nan 8.290 nan 0.000 0.459 196 E N 1.352 121.701 120.200 0.248 0.000 2.290 196 E HA 0.411 4.761 4.350 0.000 0.000 0.274 196 E C -0.878 175.797 176.600 0.125 0.000 0.889 196 E CA -0.341 56.184 56.400 0.208 0.000 0.760 196 E CB 1.788 31.694 29.700 0.343 0.000 1.206 196 E HN 0.776 nan 8.360 nan 0.000 0.419 197 S N 1.741 117.480 115.700 0.065 0.000 2.600 197 S HA 0.129 4.599 4.470 0.000 0.000 0.265 197 S C 1.054 175.644 174.600 -0.017 0.000 1.325 197 S CA 0.285 58.489 58.200 0.007 0.000 1.002 197 S CB 1.310 64.514 63.200 0.007 0.000 0.921 197 S HN 0.650 nan 8.310 nan 0.000 0.554 198 T N -2.154 112.363 114.554 -0.060 0.000 3.040 198 T HA 0.160 4.510 4.350 0.000 0.000 0.252 198 T C 0.703 175.375 174.700 -0.046 0.000 1.064 198 T CA 0.247 62.311 62.100 -0.061 0.000 1.110 198 T CB -0.537 68.274 68.868 -0.095 0.000 0.921 198 T HN 0.593 nan 8.240 nan 0.000 0.480 199 T N 2.954 117.483 114.554 -0.041 0.000 2.889 199 T HA 0.440 4.791 4.350 0.000 0.000 0.291 199 T C -0.376 174.296 174.700 -0.048 0.000 0.995 199 T CA -0.208 61.868 62.100 -0.041 0.000 1.092 199 T CB 1.256 70.108 68.868 -0.026 0.000 0.954 199 T HN 0.147 nan 8.240 nan 0.000 0.506 200 T N 6.331 120.836 114.554 -0.081 0.000 2.853 200 T HA 0.390 4.740 4.350 0.000 0.000 0.317 200 T C -2.080 172.513 174.700 -0.178 0.000 1.059 200 T CA -1.084 60.944 62.100 -0.119 0.000 0.954 200 T CB 0.880 69.658 68.868 -0.151 0.000 0.994 200 T HN 0.425 nan 8.240 nan 0.000 0.479 201 P HA 0.325 nan 4.420 nan 0.000 0.282 201 P C -0.820 176.356 177.300 -0.207 0.000 1.287 201 P CA -0.884 62.151 63.100 -0.109 0.000 0.792 201 P CB 1.127 32.834 31.700 0.011 0.000 1.163 202 W N 0.367 121.654 121.300 -0.022 0.000 2.322 202 W HA 0.396 5.056 4.660 0.000 0.000 0.307 202 W C 0.123 176.606 176.519 -0.060 0.000 1.220 202 W CA 0.008 57.327 57.345 -0.043 0.000 1.210 202 W CB 0.913 30.350 29.460 -0.039 0.000 1.223 202 W HN 0.112 nan 8.180 nan 0.000 0.511 203 V N 3.728 123.705 119.914 0.105 0.000 2.769 203 V HA 0.708 4.828 4.120 0.000 0.000 0.312 203 V C -0.289 175.750 176.094 -0.091 0.000 1.061 203 V CA -1.527 60.761 62.300 -0.020 0.000 0.931 203 V CB 1.407 33.193 31.823 -0.061 0.000 1.010 203 V HN 0.490 nan 8.190 nan 0.000 0.433 204 I N 0.244 120.664 120.570 -0.250 0.000 2.577 204 I HA 0.700 4.871 4.170 0.000 0.000 0.305 204 I C -0.259 175.645 176.117 -0.354 0.000 0.986 204 I CA -0.782 60.337 61.300 -0.301 0.000 1.189 204 I CB 1.838 39.621 38.000 -0.360 0.000 1.355 204 I HN 0.827 nan 8.210 nan 0.000 0.476 205 K N 5.917 126.083 120.400 -0.390 0.000 2.687 205 K HA 0.416 4.736 4.320 0.000 0.000 0.197 205 K C -2.439 173.825 176.600 -0.559 0.000 1.049 205 K CA -1.580 54.292 56.287 -0.692 0.000 1.030 205 K CB 1.222 33.185 32.500 -0.894 0.000 1.261 205 K HN 0.443 nan 8.250 nan 0.000 0.565 206 P HA 0.024 nan 4.420 nan 0.000 0.249 206 P C -1.448 176.156 177.300 0.506 0.000 1.686 206 P CA -0.047 63.163 63.100 0.184 0.000 0.873 206 P CB -0.881 30.980 31.700 0.268 0.000 1.828 207 W N -0.811 120.534 121.300 0.075 0.000 3.296 207 W HA 0.529 5.190 4.660 0.000 0.000 0.314 207 W C -0.447 176.048 176.519 -0.041 0.000 1.238 207 W CA -0.955 56.368 57.345 -0.037 0.000 1.193 207 W CB 0.101 29.385 29.460 -0.293 0.000 1.383 207 W HN -0.135 nan 8.180 nan 0.000 0.545 208 T N -1.536 113.084 114.554 0.110 0.000 2.810 208 T HA 0.191 4.541 4.350 0.000 0.000 0.277 208 T C 0.460 175.194 174.700 0.057 0.000 0.973 208 T CA 0.152 62.266 62.100 0.024 0.000 0.949 208 T CB 0.912 69.806 68.868 0.044 0.000 1.075 208 T HN 0.504 nan 8.240 nan 0.000 0.537 209 D N -0.058 120.353 120.400 0.018 0.000 2.350 209 D HA -0.002 4.638 4.640 0.000 0.000 0.216 209 D C 0.832 177.154 176.300 0.037 0.000 0.968 209 D CA 0.764 54.781 54.000 0.029 0.000 0.894 209 D CB -0.044 40.759 40.800 0.005 0.000 0.909 209 D HN 0.560 nan 8.370 nan 0.000 0.520 210 D N 0.147 120.568 120.400 0.035 0.000 2.368 210 D HA -0.022 4.618 4.640 0.000 0.000 0.218 210 D C 0.123 176.427 176.300 0.006 0.000 1.112 210 D CA -0.138 53.874 54.000 0.021 0.000 0.834 210 D CB 0.152 40.967 40.800 0.025 0.000 0.953 210 D HN -0.026 nan 8.370 nan 0.000 0.505 211 N N 1.870 120.583 118.700 0.021 0.000 2.758 211 N HA -0.174 4.566 4.740 0.000 0.000 0.248 211 N C -0.839 174.607 175.510 -0.107 0.000 1.076 211 N CA 0.497 53.501 53.050 -0.077 0.000 0.696 211 N CB -0.698 37.650 38.487 -0.232 0.000 0.979 211 N HN 0.150 nan 8.380 nan 0.000 0.550 212 Q N -0.337 119.470 119.800 0.013 0.000 2.256 212 Q HA 0.270 4.610 4.340 0.000 0.000 0.257 212 Q C -0.088 176.008 176.000 0.159 0.000 0.936 212 Q CA -0.291 55.557 55.803 0.076 0.000 0.903 212 Q CB 0.498 29.302 28.738 0.111 0.000 1.263 212 Q HN 0.284 nan 8.270 nan 0.000 0.440 213 W N 2.623 124.059 121.300 0.227 0.000 2.190 213 W HA 0.238 4.898 4.660 0.000 0.000 0.330 213 W C 0.101 176.765 176.519 0.241 0.000 1.299 213 W CA -0.278 57.239 57.345 0.286 0.000 1.215 213 W CB 0.535 30.173 29.460 0.296 0.000 1.147 213 W HN 0.339 nan 8.180 nan 0.000 0.563 214 L N 3.362 124.906 121.223 0.536 0.000 2.275 214 L HA 0.304 4.645 4.340 0.000 0.000 0.288 214 L C 1.136 178.247 176.870 0.401 0.000 1.046 214 L CA -0.258 54.775 54.840 0.320 0.000 0.805 214 L CB 1.293 43.440 42.059 0.146 0.000 1.193 214 L HN 0.613 nan 8.230 nan 0.000 0.426 215 T N -3.360 111.406 114.554 0.354 0.000 3.003 215 T HA 0.071 4.422 4.350 0.000 0.000 0.261 215 T C 0.183 175.080 174.700 0.330 0.000 1.003 215 T CA -0.420 61.938 62.100 0.430 0.000 0.917 215 T CB 0.040 69.139 68.868 0.385 0.000 1.084 215 T HN 0.419 nan 8.240 nan 0.000 0.522 216 D N 1.174 121.693 120.400 0.199 0.000 2.295 216 D HA 0.630 5.270 4.640 0.000 0.000 0.248 216 D C 1.407 177.749 176.300 0.069 0.000 1.154 216 D CA 0.016 54.090 54.000 0.124 0.000 0.857 216 D CB 1.363 42.212 40.800 0.082 0.000 1.117 216 D HN 0.128 nan 8.370 nan 0.000 0.468 217 A N 4.097 126.968 122.820 0.085 0.000 1.908 217 A HA -0.111 4.209 4.320 0.000 0.000 0.218 217 A C 2.119 179.686 177.584 -0.028 0.000 1.181 217 A CA 2.007 54.067 52.037 0.039 0.000 0.627 217 A CB -0.941 18.103 19.000 0.074 0.000 0.818 217 A HN 0.690 nan 8.150 nan 0.000 0.445 218 A N -0.396 122.416 122.820 -0.014 0.000 1.930 218 A HA 0.199 4.519 4.320 0.000 0.000 0.217 218 A C 2.480 180.036 177.584 -0.047 0.000 1.175 218 A CA 1.980 53.999 52.037 -0.031 0.000 0.627 218 A CB -0.914 18.075 19.000 -0.018 0.000 0.815 218 A HN 1.058 nan 8.150 nan 0.000 0.443 219 A N -0.558 122.240 122.820 -0.037 0.000 1.898 219 A HA 0.033 4.353 4.320 0.000 0.000 0.216 219 A C 2.191 179.718 177.584 -0.095 0.000 1.181 219 A CA 1.737 53.747 52.037 -0.045 0.000 0.620 219 A CB -0.793 18.202 19.000 -0.009 0.000 0.819 219 A HN 0.383 nan 8.150 nan 0.000 0.442 220 V N -0.507 119.318 119.914 -0.149 0.000 2.453 220 V HA -0.177 3.943 4.120 0.000 0.000 0.247 220 V C 2.504 178.476 176.094 -0.204 0.000 1.048 220 V CA 1.729 63.877 62.300 -0.253 0.000 1.049 220 V CB -0.651 30.860 31.823 -0.521 0.000 0.672 220 V HN 0.345 nan 8.190 nan 0.000 0.457 221 V N 0.583 120.407 119.914 -0.151 0.000 2.490 221 V HA -0.224 3.896 4.120 0.000 0.000 0.250 221 V C 2.664 178.693 176.094 -0.109 0.000 1.061 221 V CA 1.807 64.034 62.300 -0.122 0.000 1.064 221 V CB -0.995 30.771 31.823 -0.096 0.000 0.670 221 V HN 0.561 nan 8.190 nan 0.000 0.461 222 A N 0.511 123.272 122.820 -0.099 0.000 2.125 222 A HA -0.182 4.138 4.320 0.000 0.000 0.219 222 A C 2.335 179.866 177.584 -0.088 0.000 1.156 222 A CA 1.977 53.965 52.037 -0.082 0.000 0.671 222 A CB -0.723 18.236 19.000 -0.068 0.000 0.794 222 A HN 0.650 nan 8.150 nan 0.000 0.459 223 T N -2.238 112.244 114.554 -0.121 0.000 3.148 223 T HA 0.280 4.630 4.350 0.000 0.000 0.253 223 T C 0.585 175.226 174.700 -0.098 0.000 1.134 223 T CA -0.246 61.768 62.100 -0.142 0.000 1.051 223 T CB -0.669 68.062 68.868 -0.228 0.000 0.959 223 T HN 0.252 nan 8.240 nan 0.000 0.525 224 L N 2.415 123.609 121.223 -0.048 0.000 2.578 224 L HA 0.174 4.514 4.340 0.000 0.000 0.279 224 L C 0.338 177.332 176.870 0.207 0.000 1.227 224 L CA 0.529 55.413 54.840 0.072 0.000 0.900 224 L CB 0.175 42.252 42.059 0.030 0.000 1.144 224 L HN 0.544 nan 8.230 nan 0.000 0.496 225 K N 2.640 123.203 120.400 0.271 0.000 2.597 225 K HA 0.380 4.700 4.320 0.000 0.000 0.282 225 K C -1.565 174.921 176.600 -0.189 0.000 0.975 225 K CA -1.023 55.323 56.287 0.098 0.000 0.867 225 K CB 1.239 33.717 32.500 -0.036 0.000 1.465 225 K HN 0.329 nan 8.250 nan 0.000 0.417 226 Q N 1.313 120.766 119.800 -0.579 0.000 2.322 226 Q HA 0.396 4.736 4.340 0.000 0.000 0.256 226 Q C -1.098 174.693 176.000 -0.348 0.000 0.960 226 Q CA -0.415 54.966 55.803 -0.704 0.000 0.934 226 Q CB 1.695 29.885 28.738 -0.913 0.000 1.200 226 Q HN 0.579 nan 8.270 nan 0.000 0.435 227 S N 1.493 117.044 115.700 -0.247 0.000 2.567 227 S HA 0.264 4.734 4.470 0.000 0.000 0.270 227 S C -0.547 173.990 174.600 -0.104 0.000 1.152 227 S CA -0.683 57.424 58.200 -0.154 0.000 0.835 227 S CB 1.144 64.263 63.200 -0.134 0.000 1.115 227 S HN 0.614 nan 8.310 nan 0.000 0.459 228 K N 1.077 121.440 120.400 -0.062 0.000 2.387 228 K HA 0.250 4.570 4.320 0.000 0.000 0.198 228 K C 0.259 176.859 176.600 -0.000 0.000 1.022 228 K CA 0.102 56.379 56.287 -0.016 0.000 1.128 228 K CB 0.688 33.199 32.500 0.017 0.000 0.853 228 K HN 0.554 nan 8.250 nan 0.000 0.523 229 T N -0.986 113.534 114.554 -0.057 0.000 2.658 229 T HA 0.052 4.402 4.350 0.000 0.000 0.305 229 T C -1.576 172.937 174.700 -0.312 0.000 1.551 229 T CA -0.397 61.624 62.100 -0.131 0.000 0.985 229 T CB 1.069 69.939 68.868 0.003 0.000 1.731 229 T HN 0.200 nan 8.240 nan 0.000 0.486 230 D N -0.561 119.400 120.400 -0.731 0.000 2.723 230 D HA 0.093 4.733 4.640 0.000 0.000 0.236 230 D C -0.058 176.034 176.300 -0.346 0.000 1.138 230 D CA 2.998 56.652 54.000 -0.577 0.000 0.676 230 D CB -1.288 39.423 40.800 -0.149 0.000 1.069 230 D HN 1.238 nan 8.370 nan 0.000 0.430 231 G N -1.045 107.546 108.800 -0.348 0.000 2.359 231 G HA2 0.472 4.432 3.960 0.000 0.000 0.293 231 G HA3 0.472 4.432 3.960 0.000 0.000 0.293 231 G C -1.420 173.592 174.900 0.187 0.000 1.300 231 G CA -0.343 44.779 45.100 0.037 0.000 0.888 231 G HN 0.812 nan 8.290 nan 0.000 0.541 232 Y N -1.721 118.655 120.300 0.127 0.000 2.597 232 Y HA 0.800 5.350 4.550 0.000 0.000 0.340 232 Y C -0.253 175.717 175.900 0.116 0.000 1.097 232 Y CA -1.356 56.826 58.100 0.136 0.000 1.037 232 Y CB 0.978 39.557 38.460 0.199 0.000 1.305 232 Y HN 0.623 nan 8.280 nan 0.000 0.463 233 Q N 3.325 123.255 119.800 0.216 0.000 2.297 233 Q HA 0.304 4.644 4.340 0.000 0.000 0.267 233 Q C -2.481 173.636 176.000 0.196 0.000 1.006 233 Q CA -1.755 54.134 55.803 0.142 0.000 0.896 233 Q CB 0.520 29.350 28.738 0.153 0.000 1.186 233 Q HN 0.387 nan 8.270 nan 0.000 0.392 234 P HA -0.039 nan 4.420 nan 0.000 0.268 234 P C -0.663 176.697 177.300 0.100 0.000 1.205 234 P CA 0.127 63.304 63.100 0.128 0.000 0.771 234 P CB 0.837 32.600 31.700 0.106 0.000 0.858 235 T N -2.454 112.116 114.554 0.025 0.000 2.888 235 T HA 0.313 4.663 4.350 0.000 0.000 0.288 235 T C 1.174 175.548 174.700 -0.543 0.000 1.063 235 T CA -0.389 61.625 62.100 -0.144 0.000 1.010 235 T CB 0.628 69.469 68.868 -0.044 0.000 1.214 235 T HN 0.143 nan 8.240 nan 0.000 0.533 236 V N -0.133 119.426 119.914 -0.592 0.000 2.469 236 V HA -0.135 3.986 4.120 0.000 0.000 0.251 236 V C 2.517 178.321 176.094 -0.483 0.000 1.064 236 V CA 2.260 64.058 62.300 -0.836 0.000 1.066 236 V CB -1.972 29.682 31.823 -0.282 0.000 0.667 236 V HN 1.024 nan 8.190 nan 0.000 0.461 237 S N 0.039 115.579 115.700 -0.266 0.000 2.419 237 S HA -0.245 4.225 4.470 0.000 0.000 0.233 237 S C 1.629 176.149 174.600 -0.133 0.000 1.016 237 S CA 1.556 59.657 58.200 -0.166 0.000 0.974 237 S CB -0.774 62.340 63.200 -0.143 0.000 0.786 237 S HN 0.691 nan 8.310 nan 0.000 0.492 238 D N 0.489 120.834 120.400 -0.093 0.000 2.224 238 D HA -0.022 4.618 4.640 0.000 0.000 0.205 238 D C 1.395 177.833 176.300 0.230 0.000 0.965 238 D CA 0.793 54.862 54.000 0.115 0.000 0.852 238 D CB -0.261 40.739 40.800 0.333 0.000 0.947 238 D HN 0.421 nan 8.370 nan 0.000 0.494 239 Y N 0.829 121.165 120.300 0.061 0.000 2.274 239 Y HA -0.110 4.440 4.550 0.000 0.000 0.290 239 Y C 2.531 178.418 175.900 -0.022 0.000 1.145 239 Y CA -0.061 58.061 58.100 0.036 0.000 1.203 239 Y CB -0.967 37.504 38.460 0.018 0.000 0.984 239 Y HN -0.131 nan 8.280 nan 0.000 0.533 240 V N -0.420 119.536 119.914 0.070 0.000 2.446 240 V HA -0.165 3.955 4.120 0.000 0.000 0.244 240 V C 2.357 178.338 176.094 -0.189 0.000 1.039 240 V CA 1.632 63.896 62.300 -0.060 0.000 1.045 240 V CB -0.397 31.366 31.823 -0.100 0.000 0.681 240 V HN 0.126 nan 8.190 nan 0.000 0.459 241 K N 0.719 120.935 120.400 -0.306 0.000 2.026 241 K HA -0.078 4.242 4.320 0.000 0.000 0.208 241 K C 0.260 176.419 176.600 -0.735 0.000 1.048 241 K CA 1.532 57.428 56.287 -0.651 0.000 0.929 241 K CB -0.182 31.768 32.500 -0.918 0.000 0.713 241 K HN 0.407 nan 8.250 nan 0.000 0.439 242 F N 1.456 121.402 119.950 -0.008 0.000 2.363 242 F HA 0.360 4.887 4.527 0.000 0.000 0.366 242 F C -2.297 173.511 175.800 0.013 0.000 1.083 242 F CA -3.145 54.860 58.000 0.009 0.000 1.176 242 F CB 0.913 39.945 39.000 0.054 0.000 1.432 242 F HN -0.156 nan 8.300 nan 0.000 0.482 243 P HA 0.084 nan 4.420 nan 0.000 0.256 243 P C 0.957 178.290 177.300 0.055 0.000 1.173 243 P CA 1.271 64.397 63.100 0.043 0.000 0.768 243 P CB 0.403 32.103 31.700 0.000 0.000 0.758 244 G N 3.421 112.238 108.800 0.028 0.000 2.175 244 G HA2 -0.318 3.642 3.960 0.000 0.000 0.244 244 G HA3 -0.318 3.642 3.960 0.000 0.000 0.244 244 G C 0.812 175.706 174.900 -0.009 0.000 0.982 244 G CA 0.113 45.210 45.100 -0.004 0.000 0.641 244 G HN 0.565 nan 8.290 nan 0.000 0.527 245 I N 0.554 121.151 120.570 0.044 0.000 2.546 245 I HA 0.019 4.189 4.170 0.000 0.000 0.255 245 I C 2.370 178.448 176.117 -0.064 0.000 1.163 245 I CA 2.022 63.350 61.300 0.046 0.000 1.457 245 I CB -0.029 38.084 38.000 0.187 0.000 1.092 245 I HN 0.479 nan 8.210 nan 0.000 0.434 246 E N 0.283 120.349 120.200 -0.224 0.000 2.118 246 E HA -0.284 4.066 4.350 0.000 0.000 0.195 246 E C 1.898 178.312 176.600 -0.311 0.000 0.992 246 E CA 2.071 58.128 56.400 -0.572 0.000 0.804 246 E CB -0.042 29.147 29.700 -0.852 0.000 0.741 246 E HN 0.609 nan 8.360 nan 0.000 0.458 247 T N -1.763 112.676 114.554 -0.192 0.000 3.067 247 T HA 0.060 4.410 4.350 0.000 0.000 0.261 247 T C 1.846 176.484 174.700 -0.103 0.000 1.110 247 T CA 0.272 62.292 62.100 -0.133 0.000 1.113 247 T CB -0.031 68.778 68.868 -0.098 0.000 0.917 247 T HN 0.124 nan 8.240 nan 0.000 0.499 248 L N -0.131 121.037 121.223 -0.092 0.000 2.249 248 L HA 0.389 4.729 4.340 0.000 0.000 0.207 248 L C 1.041 177.857 176.870 -0.090 0.000 1.090 248 L CA 0.031 54.824 54.840 -0.077 0.000 0.802 248 L CB -0.293 41.731 42.059 -0.058 0.000 0.947 248 L HN 0.215 nan 8.230 nan 0.000 0.453 249 L N 2.531 123.700 121.223 -0.090 0.000 2.490 249 L HA 0.083 4.423 4.340 0.000 0.000 0.274 249 L C -1.808 174.991 176.870 -0.118 0.000 1.201 249 L CA -1.449 53.336 54.840 -0.093 0.000 0.869 249 L CB 0.154 42.188 42.059 -0.042 0.000 1.123 249 L HN -0.103 nan 8.230 nan 0.000 0.484 250 P HA 0.118 nan 4.420 nan 0.000 0.275 250 P C -2.172 175.032 177.300 -0.160 0.000 1.228 250 P CA -1.563 61.427 63.100 -0.183 0.000 0.786 250 P CB 0.474 32.007 31.700 -0.280 0.000 0.927 251 P HA -0.235 nan 4.420 nan 0.000 0.217 251 P C 0.992 178.245 177.300 -0.078 0.000 1.151 251 P CA 1.813 64.865 63.100 -0.079 0.000 0.849 251 P CB -0.348 31.315 31.700 -0.061 0.000 0.787 252 N N 0.562 119.179 118.700 -0.138 0.000 2.512 252 N HA -0.043 4.697 4.740 0.000 0.000 0.183 252 N C 1.402 176.842 175.510 -0.117 0.000 1.073 252 N CA 1.283 54.266 53.050 -0.112 0.000 0.911 252 N CB -1.263 37.150 38.487 -0.123 0.000 0.964 252 N HN 0.125 nan 8.380 nan 0.000 0.447 253 A N -0.734 121.967 122.820 -0.199 0.000 2.345 253 A HA 0.219 4.539 4.320 0.000 0.000 0.225 253 A C 0.292 177.896 177.584 0.033 0.000 1.243 253 A CA -0.250 51.737 52.037 -0.083 0.000 0.875 253 A CB -0.046 18.845 19.000 -0.181 0.000 0.929 253 A HN 0.195 nan 8.150 nan 0.000 0.502 254 K N -1.318 119.103 120.400 0.035 0.000 2.203 254 K HA 0.516 4.836 4.320 0.000 0.000 0.251 254 K C 0.825 177.482 176.600 0.095 0.000 0.944 254 K CA 0.006 56.351 56.287 0.096 0.000 0.829 254 K CB 1.416 33.972 32.500 0.094 0.000 1.125 254 K HN 0.407 nan 8.250 nan 0.000 0.430 255 G N 1.587 110.455 108.800 0.113 0.000 2.203 255 G HA2 -0.319 3.641 3.960 0.000 0.000 0.263 255 G HA3 -0.319 3.641 3.960 0.000 0.000 0.263 255 G C -0.164 174.782 174.900 0.077 0.000 1.012 255 G CA 0.225 45.377 45.100 0.087 0.000 0.749 255 G HN 0.580 nan 8.290 nan 0.000 0.512 256 Q N -0.354 119.499 119.800 0.088 0.000 2.394 256 Q HA 0.409 4.749 4.340 0.000 0.000 0.248 256 Q C 0.655 176.700 176.000 0.074 0.000 0.992 256 Q CA 0.143 55.999 55.803 0.088 0.000 0.888 256 Q CB 0.582 29.388 28.738 0.113 0.000 1.257 256 Q HN 0.375 nan 8.270 nan 0.000 0.462 257 N N 2.054 120.792 118.700 0.063 0.000 2.651 257 N HA 0.142 4.882 4.740 0.000 0.000 0.277 257 N C -1.399 174.136 175.510 0.043 0.000 1.787 257 N CA -0.045 53.036 53.050 0.052 0.000 0.818 257 N CB 0.572 39.085 38.487 0.043 0.000 1.316 257 N HN 0.412 nan 8.380 nan 0.000 0.503 258 I N 1.938 122.537 120.570 0.047 0.000 2.315 258 I HA 0.370 4.540 4.170 0.000 0.000 0.291 258 I C -0.002 176.133 176.117 0.031 0.000 1.006 258 I CA 0.005 61.325 61.300 0.034 0.000 1.265 258 I CB 0.914 38.931 38.000 0.030 0.000 1.387 258 I HN 0.138 nan 8.210 nan 0.000 0.475 259 T N 3.365 117.930 114.554 0.018 0.000 3.435 259 T HA 0.099 4.449 4.350 0.000 0.000 0.344 259 T C -0.346 174.357 174.700 0.004 0.000 1.211 259 T CA -0.547 61.554 62.100 0.001 0.000 1.104 259 T CB 1.548 70.408 68.868 -0.015 0.000 1.196 259 T HN 0.483 nan 8.240 nan 0.000 0.471 260 S N 2.643 118.343 115.700 0.001 0.000 2.415 260 S HA 0.502 4.972 4.470 0.000 0.000 0.313 260 S C -0.107 174.442 174.600 -0.085 0.000 1.067 260 S CA -0.315 57.935 58.200 0.082 0.000 1.099 260 S CB -0.170 63.108 63.200 0.131 0.000 0.991 260 S HN 0.649 nan 8.310 nan 0.000 0.491 261 T N 5.713 120.192 114.554 -0.125 0.000 2.771 261 T HA 0.380 4.730 4.350 0.000 0.000 0.281 261 T C -0.567 173.849 174.700 -0.474 0.000 0.982 261 T CA -0.439 61.459 62.100 -0.337 0.000 0.978 261 T CB 1.009 69.727 68.868 -0.250 0.000 0.930 261 T HN 0.517 nan 8.240 nan 0.000 0.447 262 L N 3.947 124.794 121.223 -0.627 0.000 2.261 262 L HA 0.415 4.755 4.340 0.000 0.000 0.289 262 L C 0.194 176.734 176.870 -0.551 0.000 1.059 262 L CA -0.138 54.319 54.840 -0.638 0.000 0.816 262 L CB 0.430 42.185 42.059 -0.507 0.000 1.191 262 L HN 0.639 nan 8.230 nan 0.000 0.431 263 E N 5.800 125.690 120.200 -0.517 0.000 2.113 263 E HA 0.307 4.657 4.350 0.000 0.000 0.273 263 E C -1.135 175.257 176.600 -0.348 0.000 0.924 263 E CA -0.784 55.377 56.400 -0.399 0.000 0.764 263 E CB 0.878 30.409 29.700 -0.283 0.000 1.104 263 E HN 0.494 nan 8.360 nan 0.000 0.406 264 I N 4.985 125.326 120.570 -0.382 0.000 2.304 264 I HA 0.294 4.464 4.170 0.000 0.000 0.291 264 I C 0.243 176.304 176.117 -0.092 0.000 1.018 264 I CA -0.271 60.906 61.300 -0.205 0.000 1.260 264 I CB 0.908 38.720 38.000 -0.314 0.000 1.390 264 I HN 0.575 nan 8.210 nan 0.000 0.475 265 R N 5.805 126.305 120.500 0.001 0.000 2.343 265 R HA 0.308 4.648 4.340 0.000 0.000 0.320 265 R C -0.257 176.079 176.300 0.060 0.000 0.956 265 R CA -0.305 55.804 56.100 0.015 0.000 0.836 265 R CB 0.726 31.024 30.300 -0.003 0.000 1.151 265 R HN 0.644 nan 8.270 nan 0.000 0.450 266 E N 1.459 121.697 120.200 0.064 0.000 2.228 266 E HA -0.266 4.084 4.350 0.000 0.000 0.213 266 E C -0.926 175.751 176.600 0.127 0.000 1.282 266 E CA 0.494 56.950 56.400 0.092 0.000 0.707 266 E CB -1.319 28.428 29.700 0.077 0.000 1.150 266 E HN 0.504 nan 8.360 nan 0.000 0.362 267 C N -0.049 119.341 119.300 0.150 0.000 2.486 267 C HA 0.793 5.253 4.460 0.000 0.000 0.348 267 C C 0.532 175.655 174.990 0.222 0.000 1.203 267 C CA -0.655 58.465 59.018 0.170 0.000 1.911 267 C CB 0.986 28.824 27.740 0.163 0.000 2.340 267 C HN 0.379 nan 8.230 nan 0.000 0.511 268 I N 0.864 121.570 120.570 0.226 0.000 2.582 268 I HA 0.513 4.683 4.170 0.000 0.000 0.292 268 I C 0.709 176.974 176.117 0.246 0.000 1.066 268 I CA 0.066 61.543 61.300 0.295 0.000 1.053 268 I CB 1.775 39.961 38.000 0.309 0.000 1.241 268 I HN 0.960 nan 8.210 nan 0.000 0.421 269 G N 4.237 113.216 108.800 0.298 0.000 2.273 269 G HA2 -0.165 3.795 3.960 0.000 0.000 0.280 269 G HA3 -0.165 3.795 3.960 0.000 0.000 0.280 269 G C -0.430 174.580 174.900 0.184 0.000 1.047 269 G CA -0.120 45.114 45.100 0.223 0.000 0.869 269 G HN 0.394 nan 8.290 nan 0.000 0.502 270 V N -0.208 119.840 119.914 0.222 0.000 2.513 270 V HA 0.630 4.750 4.120 0.000 0.000 0.299 270 V C 0.193 176.450 176.094 0.271 0.000 1.035 270 V CA -0.703 61.726 62.300 0.216 0.000 0.889 270 V CB 1.903 33.859 31.823 0.222 0.000 0.988 270 V HN 0.420 nan 8.190 nan 0.000 0.440 271 E N 2.708 123.064 120.200 0.260 0.000 2.222 271 E HA 0.613 4.963 4.350 0.000 0.000 0.267 271 E C -1.564 175.247 176.600 0.351 0.000 0.884 271 E CA -0.712 55.866 56.400 0.296 0.000 0.764 271 E CB 2.825 32.746 29.700 0.369 0.000 1.169 271 E HN 0.407 nan 8.360 nan 0.000 0.413 272 V N 3.872 123.951 119.914 0.275 0.000 2.357 272 V HA 0.229 4.349 4.120 0.000 0.000 0.284 272 V C -0.449 175.689 176.094 0.075 0.000 1.018 272 V CA -0.611 61.825 62.300 0.225 0.000 0.841 272 V CB 0.829 32.772 31.823 0.199 0.000 0.991 272 V HN 0.632 nan 8.190 nan 0.000 0.437 273 H N 4.979 124.075 119.070 0.044 0.000 2.469 273 H HA 0.482 5.038 4.556 0.000 0.000 0.342 273 H C 0.228 175.562 175.328 0.010 0.000 1.115 273 H CA -0.781 55.282 56.048 0.025 0.000 1.204 273 H CB 1.285 31.069 29.762 0.036 0.000 1.492 273 H HN 0.549 nan 8.280 nan 0.000 0.499 274 R N 0.101 120.648 120.500 0.080 0.000 3.516 274 R HA -0.174 4.167 4.340 0.000 0.000 0.271 274 R C -0.070 176.248 176.300 0.030 0.000 1.098 274 R CA 0.309 56.443 56.100 0.057 0.000 0.732 274 R CB -1.551 28.806 30.300 0.095 0.000 1.152 274 R HN 0.641 nan 8.270 nan 0.000 0.455 275 A N 0.423 123.199 122.820 -0.074 0.000 2.425 275 A HA 0.560 4.881 4.320 0.000 0.000 0.242 275 A C 0.602 178.140 177.584 -0.077 0.000 1.077 275 A CA 0.538 52.494 52.037 -0.135 0.000 0.781 275 A CB 1.207 19.839 19.000 -0.613 0.000 1.020 275 A HN 0.305 nan 8.150 nan 0.000 0.494 276 S N -1.060 114.663 115.700 0.038 0.000 2.790 276 S HA 0.882 5.352 4.470 0.000 0.000 0.292 276 S C -0.261 174.118 174.600 -0.368 0.000 1.197 276 S CA 0.353 58.526 58.200 -0.046 0.000 0.851 276 S CB 1.417 64.660 63.200 0.071 0.000 1.217 276 S HN 2.570 nan 8.310 nan 0.000 0.526 277 G N 0.053 108.309 108.800 -0.908 0.000 2.368 277 G HA2 0.295 4.255 3.960 0.000 0.000 0.302 277 G HA3 0.295 4.255 3.960 0.000 0.000 0.302 277 G C -2.482 172.111 174.900 -0.511 0.000 1.329 277 G CA -0.799 43.501 45.100 -1.333 0.000 0.935 277 G HN 0.767 nan 8.290 nan 0.000 0.590 278 L N 0.916 121.995 121.223 -0.241 0.000 2.349 278 L HA 0.570 4.911 4.340 0.000 0.000 0.278 278 L C 0.793 177.678 176.870 0.025 0.000 0.996 278 L CA -0.877 53.974 54.840 0.019 0.000 0.825 278 L CB 1.683 43.832 42.059 0.150 0.000 1.243 278 L HN 0.730 nan 8.230 nan 0.000 0.412 279 M N 1.172 120.801 119.600 0.048 0.000 2.461 279 M HA -0.188 4.292 4.480 0.000 0.000 0.203 279 M C 0.016 176.314 176.300 -0.003 0.000 0.428 279 M CA 0.679 56.005 55.300 0.043 0.000 0.509 279 M CB -1.914 30.709 32.600 0.038 0.000 1.851 279 M HN 0.719 nan 8.290 nan 0.000 0.834 280 A N -0.123 122.680 122.820 -0.029 0.000 2.279 280 A HA 0.859 5.179 4.320 0.000 0.000 0.303 280 A C 0.813 178.282 177.584 -0.192 0.000 1.108 280 A CA 0.352 52.301 52.037 -0.146 0.000 0.830 280 A CB 1.051 19.971 19.000 -0.133 0.000 1.106 280 A HN 0.845 nan 8.150 nan 0.000 0.493 281 G N -0.578 107.926 108.800 -0.493 0.000 2.706 281 G HA2 0.609 4.569 3.960 0.000 0.000 0.297 281 G HA3 0.609 4.569 3.960 0.000 0.000 0.297 281 G C -1.539 172.849 174.900 -0.854 0.000 1.403 281 G CA -0.413 44.441 45.100 -0.411 0.000 0.954 281 G HN 0.431 nan 8.290 nan 0.000 0.500 282 F N 1.134 120.997 119.950 -0.146 0.000 2.553 282 F HA 0.507 5.034 4.527 0.000 0.000 0.335 282 F C -0.356 175.267 175.800 -0.294 0.000 1.148 282 F CA -0.820 57.037 58.000 -0.238 0.000 0.963 282 F CB 2.401 41.309 39.000 -0.153 0.000 1.217 282 F HN 0.387 nan 8.300 nan 0.000 0.441 283 L N 4.629 125.664 121.223 -0.314 0.000 2.325 283 L HA 0.665 5.005 4.340 0.000 0.000 0.281 283 L C -1.691 174.910 176.870 -0.447 0.000 1.004 283 L CA -0.494 54.166 54.840 -0.299 0.000 0.823 283 L CB 0.564 42.479 42.059 -0.241 0.000 1.236 283 L HN 0.340 nan 8.230 nan 0.000 0.415 284 F N 4.757 124.518 119.950 -0.315 0.000 2.361 284 F HA 0.528 5.056 4.527 0.000 0.000 0.364 284 F C 0.424 176.143 175.800 -0.135 0.000 1.120 284 F CA -0.389 57.491 58.000 -0.201 0.000 1.102 284 F CB 0.959 39.824 39.000 -0.226 0.000 1.183 284 F HN 0.437 nan 8.300 nan 0.000 0.476 285 R N 1.995 122.495 120.500 -0.000 0.000 2.288 285 R HA 0.518 4.859 4.340 0.000 0.000 0.326 285 R C 0.728 177.023 176.300 -0.009 0.000 0.959 285 R CA 0.036 56.119 56.100 -0.029 0.000 0.834 285 R CB 0.870 31.128 30.300 -0.070 0.000 1.157 285 R HN 0.888 nan 8.270 nan 0.000 0.470 286 G N 2.930 111.709 108.800 -0.035 0.000 2.176 286 G HA2 -0.279 3.681 3.960 0.000 0.000 0.252 286 G HA3 -0.279 3.681 3.960 0.000 0.000 0.252 286 G C -0.051 174.795 174.900 -0.089 0.000 1.024 286 G CA 0.177 45.246 45.100 -0.052 0.000 0.755 286 G HN 0.626 nan 8.290 nan 0.000 0.507 287 C N -0.708 118.530 119.300 -0.103 0.000 2.335 287 C HA 0.859 5.319 4.460 0.000 0.000 0.363 287 C C 0.410 175.140 174.990 -0.433 0.000 1.198 287 C CA -0.508 58.475 59.018 -0.058 0.000 2.279 287 C CB 0.990 28.867 27.740 0.228 0.000 2.334 287 C HN 0.601 nan 8.230 nan 0.000 0.559 288 H N -1.336 117.770 119.070 0.060 0.000 2.894 288 H HA 0.457 5.014 4.556 0.000 0.000 0.367 288 H C -0.310 174.979 175.328 -0.065 0.000 1.144 288 H CA -0.673 55.268 56.048 -0.179 0.000 1.180 288 H CB 0.607 30.281 29.762 -0.146 0.000 1.758 288 H HN 0.632 nan 8.280 nan 0.000 0.541 289 F N -0.964 119.065 119.950 0.132 0.000 3.091 289 F HA -0.296 4.231 4.527 0.000 0.000 0.288 289 F C -0.286 175.576 175.800 0.102 0.000 0.907 289 F CA -0.002 58.062 58.000 0.107 0.000 1.028 289 F CB -2.101 36.968 39.000 0.114 0.000 1.022 289 F HN 0.336 nan 8.300 nan 0.000 0.665 290 C N 0.696 120.062 119.300 0.110 0.000 2.397 290 C HA 0.778 5.238 4.460 0.000 0.000 0.343 290 C C 0.409 175.404 174.990 0.009 0.000 1.188 290 C CA -1.032 58.068 59.018 0.135 0.000 1.992 290 C CB 1.899 29.781 27.740 0.237 0.000 2.358 290 C HN 0.301 nan 8.230 nan 0.000 0.518 291 K N 1.351 121.778 120.400 0.046 0.000 2.464 291 K HA 0.551 4.871 4.320 0.000 0.000 0.253 291 K C -1.249 175.338 176.600 -0.021 0.000 0.933 291 K CA -0.707 55.588 56.287 0.013 0.000 0.801 291 K CB 1.968 34.473 32.500 0.008 0.000 1.271 291 K HN 0.455 nan 8.250 nan 0.000 0.430 292 M N 3.165 122.751 119.600 -0.024 0.000 2.055 292 M HA 0.229 4.710 4.480 0.000 0.000 0.346 292 M C -1.642 174.589 176.300 -0.115 0.000 1.074 292 M CA -0.589 54.677 55.300 -0.056 0.000 1.009 292 M CB 0.912 33.467 32.600 -0.075 0.000 1.423 292 M HN 0.325 nan 8.290 nan 0.000 0.410 293 V N 5.154 124.924 119.914 -0.240 0.000 2.435 293 V HA 0.376 4.496 4.120 0.000 0.000 0.290 293 V C -0.167 175.827 176.094 -0.166 0.000 1.030 293 V CA -0.662 61.468 62.300 -0.283 0.000 0.881 293 V CB 1.560 32.997 31.823 -0.645 0.000 0.983 293 V HN 0.880 nan 8.190 nan 0.000 0.445 294 D N 2.316 122.690 120.400 -0.045 0.000 2.686 294 D HA -0.183 4.457 4.640 0.000 0.000 0.235 294 D C 0.658 176.969 176.300 0.018 0.000 1.160 294 D CA 1.152 55.164 54.000 0.020 0.000 0.645 294 D CB -0.589 40.236 40.800 0.041 0.000 1.039 294 D HN 0.981 nan 8.370 nan 0.000 0.423 295 A N 0.966 123.794 122.820 0.015 0.000 2.561 295 A HA 0.004 4.324 4.320 0.000 0.000 0.251 295 A C 1.038 178.641 177.584 0.032 0.000 1.062 295 A CA 0.184 52.210 52.037 -0.017 0.000 0.761 295 A CB 0.123 19.133 19.000 0.015 0.000 0.986 295 A HN 0.239 nan 8.150 nan 0.000 0.510 296 N N 2.871 121.583 118.700 0.020 0.000 3.254 296 N HA -0.042 4.698 4.740 0.000 0.000 0.308 296 N C 0.387 175.936 175.510 0.065 0.000 1.281 296 N CA 0.434 53.516 53.050 0.053 0.000 1.212 296 N CB -1.152 37.379 38.487 0.073 0.000 1.478 296 N HN 0.785 nan 8.380 nan 0.000 0.548 297 N N 0.145 118.883 118.700 0.063 0.000 2.714 297 N HA -0.137 4.604 4.740 0.000 0.000 0.253 297 N C -2.344 173.221 175.510 0.091 0.000 1.024 297 N CA -0.240 52.853 53.050 0.072 0.000 0.726 297 N CB -0.032 38.492 38.487 0.061 0.000 0.908 297 N HN 0.374 nan 8.380 nan 0.000 0.542 298 P HA 0.033 nan 4.420 nan 0.000 0.271 298 P C -0.469 176.917 177.300 0.144 0.000 1.218 298 P CA 0.041 63.200 63.100 0.098 0.000 0.780 298 P CB 1.414 33.228 31.700 0.190 0.000 0.901 299 S N 1.496 117.284 115.700 0.147 0.000 2.452 299 S HA 0.506 4.976 4.470 0.000 0.000 0.284 299 S C 0.638 175.355 174.600 0.195 0.000 1.171 299 S CA -0.545 57.804 58.200 0.248 0.000 1.064 299 S CB -0.243 63.127 63.200 0.284 0.000 0.967 299 S HN 0.594 nan 8.310 nan 0.000 0.484 300 G N 3.098 112.030 108.800 0.221 0.000 2.636 300 G HA2 0.511 4.471 3.960 0.000 0.000 0.246 300 G HA3 0.511 4.471 3.960 0.000 0.000 0.246 300 G C 0.548 175.534 174.900 0.143 0.000 1.216 300 G CA -0.117 45.081 45.100 0.163 0.000 0.854 300 G HN 0.882 nan 8.290 nan 0.000 0.572 301 G N -0.839 108.017 108.800 0.094 0.000 3.194 301 G HA2 0.338 4.299 3.960 0.000 0.000 0.160 301 G HA3 0.338 4.299 3.960 0.000 0.000 0.160 301 G C 1.029 175.986 174.900 0.095 0.000 1.267 301 G CA -0.089 45.060 45.100 0.083 0.000 0.962 301 G HN 0.505 nan 8.290 nan 0.000 0.612 302 K N 0.140 120.584 120.400 0.073 0.000 2.076 302 K HA 0.024 4.344 4.320 0.000 0.000 0.204 302 K C 0.349 176.987 176.600 0.063 0.000 1.051 302 K CA 0.722 57.057 56.287 0.080 0.000 0.949 302 K CB -0.314 32.226 32.500 0.066 0.000 0.726 302 K HN 0.371 nan 8.250 nan 0.000 0.443 303 D N -0.419 120.004 120.400 0.039 0.000 2.451 303 D HA 0.157 4.798 4.640 0.000 0.000 0.259 303 D C 0.180 176.504 176.300 0.041 0.000 1.201 303 D CA -0.154 53.867 54.000 0.034 0.000 1.028 303 D CB 0.080 40.879 40.800 -0.002 0.000 1.095 303 D HN 0.131 nan 8.370 nan 0.000 0.539 304 G N -0.226 108.603 108.800 0.048 0.000 2.484 304 G HA2 0.165 4.125 3.960 0.000 0.000 0.235 304 G HA3 0.165 4.125 3.960 0.000 0.000 0.235 304 G C 1.269 176.195 174.900 0.042 0.000 1.282 304 G CA -0.349 44.786 45.100 0.057 0.000 0.857 304 G HN 0.421 nan 8.290 nan 0.000 0.571 305 I N 0.838 121.455 120.570 0.079 0.000 2.353 305 I HA 0.046 4.216 4.170 0.000 0.000 0.248 305 I C 0.626 176.840 176.117 0.161 0.000 1.119 305 I CA 1.132 62.513 61.300 0.135 0.000 1.417 305 I CB -0.184 37.927 38.000 0.185 0.000 1.078 305 I HN 0.256 nan 8.210 nan 0.000 0.421 306 I N 0.613 121.213 120.570 0.050 0.000 2.468 306 I HA 0.250 4.420 4.170 0.000 0.000 0.284 306 I C -0.965 175.030 176.117 -0.203 0.000 1.038 306 I CA -0.139 61.125 61.300 -0.059 0.000 1.083 306 I CB 1.939 39.853 38.000 -0.144 0.000 1.223 306 I HN -0.143 nan 8.210 nan 0.000 0.443 307 T N 5.659 120.057 114.554 -0.260 0.000 2.848 307 T HA 0.534 4.884 4.350 0.000 0.000 0.285 307 T C -0.713 173.733 174.700 -0.423 0.000 0.995 307 T CA -0.405 61.516 62.100 -0.297 0.000 0.970 307 T CB 1.101 69.861 68.868 -0.180 0.000 0.976 307 T HN 0.131 nan 8.240 nan 0.000 0.441 308 F N 2.331 122.106 119.950 -0.293 0.000 2.325 308 F HA 0.368 4.896 4.527 0.000 0.000 0.369 308 F C 0.703 176.407 175.800 -0.160 0.000 1.095 308 F CA -0.733 57.140 58.000 -0.212 0.000 1.082 308 F CB 1.076 39.874 39.000 -0.336 0.000 1.289 308 F HN 0.466 nan 8.300 nan 0.000 0.462 309 E N 3.105 123.301 120.200 -0.006 0.000 2.145 309 E HA 0.324 4.674 4.350 0.000 0.000 0.270 309 E C -0.940 175.608 176.600 -0.086 0.000 0.906 309 E CA -0.516 55.823 56.400 -0.101 0.000 0.761 309 E CB 0.754 30.351 29.700 -0.172 0.000 1.116 309 E HN 0.587 nan 8.360 nan 0.000 0.408 310 N N 4.663 123.293 118.700 -0.115 0.000 2.642 310 N HA 0.186 4.927 4.740 0.000 0.000 0.308 310 N C 0.317 175.708 175.510 -0.199 0.000 1.914 310 N CA -0.095 52.875 53.050 -0.133 0.000 0.893 310 N CB 0.671 39.092 38.487 -0.111 0.000 1.322 310 N HN 0.453 nan 8.380 nan 0.000 0.490 311 L N -0.972 120.138 121.223 -0.188 0.000 2.376 311 L HA 0.124 4.464 4.340 0.000 0.000 0.219 311 L C 0.041 176.815 176.870 -0.160 0.000 1.133 311 L CA 0.833 55.551 54.840 -0.203 0.000 0.816 311 L CB -0.023 41.933 42.059 -0.172 0.000 0.933 311 L HN 0.129 nan 8.230 nan 0.000 0.449 312 S N -1.203 114.429 115.700 -0.113 0.000 2.542 312 S HA 0.746 5.216 4.470 0.000 0.000 0.293 312 S C 0.268 174.851 174.600 -0.028 0.000 1.089 312 S CA -0.142 58.019 58.200 -0.066 0.000 0.961 312 S CB 2.149 65.324 63.200 -0.042 0.000 1.062 312 S HN 0.425 nan 8.310 nan 0.000 0.483 313 G N 2.544 111.344 108.800 0.000 0.000 2.593 313 G HA2 -0.157 3.803 3.960 0.000 0.000 0.237 313 G HA3 -0.157 3.803 3.960 0.000 0.000 0.237 313 G C -1.238 173.703 174.900 0.068 0.000 1.312 313 G CA -0.408 44.723 45.100 0.052 0.000 0.896 313 G HN 0.677 nan 8.290 nan 0.000 0.574 314 D N -0.124 120.362 120.400 0.144 0.000 2.360 314 D HA 0.349 4.989 4.640 0.000 0.000 0.242 314 D C 0.410 176.877 176.300 0.278 0.000 1.184 314 D CA 0.121 54.242 54.000 0.201 0.000 0.930 314 D CB 0.257 41.129 40.800 0.120 0.000 1.161 314 D HN 0.399 nan 8.370 nan 0.000 0.447 315 W N 0.646 122.003 121.300 0.095 0.000 2.223 315 W HA 0.285 4.945 4.660 0.000 0.000 0.334 315 W C 1.356 177.959 176.519 0.140 0.000 1.334 315 W CA -0.074 57.320 57.345 0.082 0.000 1.246 315 W CB 0.124 29.603 29.460 0.032 0.000 1.184 315 W HN 0.237 nan 8.180 nan 0.000 0.563 316 G N 2.930 111.862 108.800 0.219 0.000 2.414 316 G HA2 0.295 4.256 3.960 0.000 0.000 0.236 316 G HA3 0.295 4.256 3.960 0.000 0.000 0.236 316 G C -0.863 174.069 174.900 0.053 0.000 1.293 316 G CA -0.294 44.825 45.100 0.032 0.000 0.869 316 G HN 0.446 nan 8.290 nan 0.000 0.556 317 K N 0.616 120.986 120.400 -0.050 0.000 2.523 317 K HA 0.521 4.841 4.320 0.000 0.000 0.257 317 K C 0.519 176.699 176.600 -0.701 0.000 0.932 317 K CA -0.116 56.002 56.287 -0.281 0.000 0.812 317 K CB 1.367 33.756 32.500 -0.186 0.000 1.326 317 K HN 1.321 nan 8.250 nan 0.000 0.433 318 G N 1.861 110.325 108.800 -0.560 0.000 2.148 318 G HA2 -0.284 3.677 3.960 0.000 0.000 0.254 318 G HA3 -0.284 3.677 3.960 0.000 0.000 0.254 318 G C -0.760 173.929 174.900 -0.351 0.000 0.981 318 G CA 0.359 45.224 45.100 -0.390 0.000 0.670 318 G HN 0.680 nan 8.290 nan 0.000 0.528 319 N N -0.028 118.292 118.700 -0.634 0.000 2.419 319 N HA 0.624 5.364 4.740 0.000 0.000 0.264 319 N C -0.663 174.296 175.510 -0.918 0.000 1.031 319 N CA -0.246 52.269 53.050 -0.892 0.000 0.951 319 N CB 0.636 38.316 38.487 -1.345 0.000 1.101 319 N HN 0.357 nan 8.380 nan 0.000 0.488 320 Y N 0.177 120.121 120.300 -0.593 0.000 2.605 320 Y HA 0.549 5.099 4.550 0.000 0.000 0.343 320 Y C -0.386 175.461 175.900 -0.088 0.000 1.036 320 Y CA -1.160 56.788 58.100 -0.255 0.000 1.065 320 Y CB 1.526 39.895 38.460 -0.151 0.000 1.288 320 Y HN 0.082 nan 8.280 nan 0.000 0.481 321 V N 4.254 124.288 119.914 0.200 0.000 2.376 321 V HA 0.380 4.500 4.120 0.000 0.000 0.287 321 V C -0.879 175.259 176.094 0.072 0.000 1.015 321 V CA -0.596 61.738 62.300 0.057 0.000 0.834 321 V CB 1.118 32.861 31.823 -0.132 0.000 1.001 321 V HN 0.447 nan 8.190 nan 0.000 0.428 322 I N 4.554 125.145 120.570 0.036 0.000 2.382 322 I HA 0.684 4.854 4.170 0.000 0.000 0.286 322 I C 0.803 176.960 176.117 0.067 0.000 1.002 322 I CA 0.194 61.517 61.300 0.039 0.000 1.135 322 I CB 0.786 38.759 38.000 -0.044 0.000 1.288 322 I HN 0.834 nan 8.210 nan 0.000 0.448 323 G N 4.658 113.541 108.800 0.139 0.000 2.752 323 G HA2 0.213 4.173 3.960 0.000 0.000 0.234 323 G HA3 0.213 4.173 3.960 0.000 0.000 0.234 323 G C 0.264 175.300 174.900 0.226 0.000 1.367 323 G CA 0.147 45.341 45.100 0.156 0.000 0.879 323 G HN 1.651 nan 8.290 nan 0.000 0.563 324 G N -1.240 107.656 108.800 0.160 0.000 2.750 324 G HA2 0.406 4.366 3.960 0.000 0.000 0.228 324 G HA3 0.406 4.366 3.960 0.000 0.000 0.228 324 G C -0.062 174.930 174.900 0.153 0.000 1.367 324 G CA 1.279 46.471 45.100 0.154 0.000 0.871 324 G HN 2.674 nan 8.290 nan 0.000 0.560 325 R N -2.006 118.559 120.500 0.109 0.000 2.734 325 R HA 0.844 5.184 4.340 0.000 0.000 0.271 325 R C -0.385 175.956 176.300 0.069 0.000 1.021 325 R CA -0.297 55.782 56.100 -0.035 0.000 0.893 325 R CB 1.441 31.687 30.300 -0.091 0.000 1.244 325 R HN 1.597 nan 8.270 nan 0.000 0.464 326 T N -1.686 112.873 114.554 0.009 0.000 2.883 326 T HA 0.714 5.064 4.350 0.000 0.000 0.296 326 T C -0.675 174.037 174.700 0.020 0.000 1.117 326 T CA -0.843 61.313 62.100 0.094 0.000 1.006 326 T CB 2.021 71.021 68.868 0.220 0.000 1.191 326 T HN 0.506 nan 8.240 nan 0.000 0.508 327 S N 0.310 116.030 115.700 0.033 0.000 2.549 327 S HA 0.750 5.220 4.470 0.000 0.000 0.280 327 S C -1.259 173.287 174.600 -0.090 0.000 1.109 327 S CA -0.667 57.459 58.200 -0.123 0.000 0.905 327 S CB 0.622 63.733 63.200 -0.147 0.000 1.081 327 S HN 0.943 nan 8.310 nan 0.000 0.477 328 Y N 0.322 120.656 120.300 0.056 0.000 2.903 328 Y HA -0.110 4.440 4.550 0.000 0.000 0.466 328 Y C 0.856 176.786 175.900 0.050 0.000 1.201 328 Y CA 1.240 59.382 58.100 0.071 0.000 2.493 328 Y CB -1.358 37.215 38.460 0.189 0.000 1.237 328 Y HN 1.637 nan 8.280 nan 0.000 0.633 329 G N -0.919 108.063 108.800 0.303 0.000 2.719 329 G HA2 0.066 4.026 3.960 0.000 0.000 0.686 329 G HA3 0.066 4.026 3.960 0.000 0.000 0.686 329 G C 0.195 175.131 174.900 0.061 0.000 1.201 329 G CA -0.112 45.086 45.100 0.163 0.000 0.768 329 G HN 1.052 nan 8.290 nan 0.000 0.629 330 S N -0.478 115.271 115.700 0.081 0.000 2.406 330 S HA 0.180 4.650 4.470 0.000 0.000 0.228 330 S C 1.832 176.359 174.600 -0.121 0.000 1.020 330 S CA 2.000 60.209 58.200 0.016 0.000 0.965 330 S CB -0.216 63.089 63.200 0.175 0.000 0.798 330 S HN 1.781 nan 8.310 nan 0.000 0.488 331 V N -1.695 118.190 119.914 -0.049 0.000 4.850 331 V HA 0.577 4.697 4.120 0.000 0.000 0.283 331 V C 0.071 176.140 176.094 -0.042 0.000 1.437 331 V CA -0.988 61.282 62.300 -0.050 0.000 0.825 331 V CB 0.347 32.179 31.823 0.015 0.000 1.338 331 V HN 0.052 nan 8.190 nan 0.000 0.445 332 S N 0.700 116.399 115.700 -0.001 0.000 2.565 332 S HA 0.303 4.774 4.470 0.000 0.000 0.276 332 S C 1.220 175.857 174.600 0.062 0.000 1.326 332 S CA 0.124 58.333 58.200 0.016 0.000 1.045 332 S CB 1.217 64.434 63.200 0.028 0.000 0.918 332 S HN 0.746 nan 8.310 nan 0.000 0.505 333 S N 1.692 117.442 115.700 0.084 0.000 2.345 333 S HA 0.099 4.569 4.470 0.000 0.000 0.220 333 S C 0.822 175.507 174.600 0.142 0.000 1.031 333 S CA 0.838 59.140 58.200 0.170 0.000 0.996 333 S CB -0.079 63.293 63.200 0.287 0.000 0.882 333 S HN 0.902 nan 8.310 nan 0.000 0.445 334 A N 1.493 124.382 122.820 0.114 0.000 2.356 334 A HA 0.688 5.008 4.320 0.000 0.000 0.310 334 A C -0.699 176.918 177.584 0.055 0.000 1.075 334 A CA -0.793 51.224 52.037 -0.033 0.000 0.746 334 A CB 1.131 20.026 19.000 -0.174 0.000 1.221 334 A HN 0.386 nan 8.150 nan 0.000 0.443 335 Q N 1.075 120.836 119.800 -0.065 0.000 2.353 335 Q HA 0.744 5.084 4.340 0.000 0.000 0.275 335 Q C -1.999 173.949 176.000 -0.087 0.000 1.029 335 Q CA -0.624 55.258 55.803 0.131 0.000 0.848 335 Q CB 1.534 30.469 28.738 0.328 0.000 1.390 335 Q HN 0.438 nan 8.270 nan 0.000 0.401 336 F N 1.216 121.324 119.950 0.263 0.000 2.532 336 F HA 0.653 5.180 4.527 0.000 0.000 0.321 336 F C -0.888 174.975 175.800 0.105 0.000 1.089 336 F CA -0.974 57.137 58.000 0.185 0.000 0.926 336 F CB 1.801 40.914 39.000 0.189 0.000 1.168 336 F HN 0.406 nan 8.300 nan 0.000 0.459 337 L N 2.198 123.500 121.223 0.132 0.000 2.406 337 L HA 0.541 4.882 4.340 0.000 0.000 0.272 337 L C 0.162 177.018 176.870 -0.022 0.000 0.980 337 L CA -0.755 54.063 54.840 -0.037 0.000 0.831 337 L CB 1.858 43.714 42.059 -0.337 0.000 1.253 337 L HN 0.610 nan 8.230 nan 0.000 0.406 338 R N 2.006 122.482 120.500 -0.039 0.000 3.205 338 R HA -0.230 4.110 4.340 0.000 0.000 0.249 338 R C -0.927 175.396 176.300 0.039 0.000 0.937 338 R CA 0.357 56.280 56.100 -0.294 0.000 0.641 338 R CB -1.032 28.873 30.300 -0.658 0.000 1.114 338 R HN 0.808 nan 8.270 nan 0.000 0.451 339 N N 0.375 119.300 118.700 0.375 0.000 2.314 339 N HA 0.412 5.152 4.740 0.000 0.000 0.304 339 N C -1.393 174.407 175.510 0.484 0.000 1.073 339 N CA -0.837 52.434 53.050 0.368 0.000 0.822 339 N CB 1.453 40.064 38.487 0.208 0.000 1.280 339 N HN 0.274 nan 8.380 nan 0.000 0.489 340 N N 0.302 119.188 118.700 0.309 0.000 2.533 340 N HA 0.295 5.035 4.740 0.000 0.000 0.289 340 N C -0.004 175.492 175.510 -0.023 0.000 1.103 340 N CA -0.456 52.669 53.050 0.125 0.000 0.877 340 N CB 1.432 39.859 38.487 -0.099 0.000 1.419 340 N HN 0.642 nan 8.380 nan 0.000 0.517 341 G N 1.059 109.817 108.800 -0.069 0.000 2.920 341 G HA2 0.383 4.343 3.960 0.000 0.000 0.208 341 G HA3 0.383 4.343 3.960 0.000 0.000 0.208 341 G C 0.782 175.624 174.900 -0.097 0.000 1.159 341 G CA 0.395 45.419 45.100 -0.127 0.000 0.784 341 G HN 1.006 nan 8.290 nan 0.000 0.535 342 G N -0.449 108.273 108.800 -0.130 0.000 2.796 342 G HA2 -0.232 3.728 3.960 0.000 0.000 0.226 342 G HA3 -0.232 3.728 3.960 0.000 0.000 0.226 342 G C 0.480 175.339 174.900 -0.069 0.000 1.381 342 G CA -0.118 44.842 45.100 -0.234 0.000 0.867 342 G HN 0.104 nan 8.290 nan 0.000 0.552 343 F N 1.338 121.265 119.950 -0.037 0.000 2.216 343 F HA -0.015 4.512 4.527 0.000 0.000 0.300 343 F C 2.781 178.568 175.800 -0.020 0.000 1.085 343 F CA 2.004 59.986 58.000 -0.029 0.000 1.326 343 F CB -0.491 38.491 39.000 -0.029 0.000 1.027 343 F HN 0.677 nan 8.300 nan 0.000 0.497 344 E N 0.551 120.841 120.200 0.149 0.000 2.472 344 E HA -0.200 4.151 4.350 0.000 0.000 0.200 344 E C 0.308 176.945 176.600 0.060 0.000 1.046 344 E CA 0.359 56.814 56.400 0.092 0.000 0.871 344 E CB -0.465 29.279 29.700 0.073 0.000 0.806 344 E HN 0.125 nan 8.360 nan 0.000 0.533 345 R N 1.178 121.701 120.500 0.038 0.000 3.333 345 R HA -0.148 4.192 4.340 0.000 0.000 0.256 345 R C -0.881 175.388 176.300 -0.051 0.000 1.010 345 R CA 0.903 56.995 56.100 -0.014 0.000 0.680 345 R CB -2.290 28.011 30.300 0.001 0.000 1.102 345 R HN 0.203 nan 8.270 nan 0.000 0.440 346 D N 0.489 120.853 120.400 -0.061 0.000 2.470 346 D HA 0.488 5.128 4.640 0.000 0.000 0.226 346 D C 0.602 176.630 176.300 -0.453 0.000 1.196 346 D CA 1.516 55.480 54.000 -0.060 0.000 0.979 346 D CB -0.017 40.814 40.800 0.052 0.000 1.059 346 D HN 0.558 nan 8.370 nan 0.000 0.515 347 G N 0.383 108.608 108.800 -0.958 0.000 2.345 347 G HA2 0.532 4.492 3.960 0.000 0.000 0.310 347 G HA3 0.532 4.492 3.960 0.000 0.000 0.310 347 G C -0.243 174.024 174.900 -1.055 0.000 1.476 347 G CA -0.110 44.124 45.100 -1.443 0.000 0.978 347 G HN 0.756 nan 8.290 nan 0.000 0.656 348 G N -2.151 106.089 108.800 -0.934 0.000 2.302 348 G HA2 0.515 4.475 3.960 0.000 0.000 0.276 348 G HA3 0.515 4.475 3.960 0.000 0.000 0.276 348 G C -1.521 173.272 174.900 -0.178 0.000 1.316 348 G CA 0.419 45.051 45.100 -0.780 0.000 0.988 348 G HN 1.818 nan 8.290 nan 0.000 0.479 349 V N 0.813 120.667 119.914 -0.099 0.000 2.407 349 V HA 0.690 4.811 4.120 0.000 0.000 0.291 349 V C -0.143 176.075 176.094 0.206 0.000 1.018 349 V CA -0.389 62.033 62.300 0.203 0.000 0.842 349 V CB 1.144 33.230 31.823 0.439 0.000 0.996 349 V HN 0.658 nan 8.190 nan 0.000 0.426 350 I N 3.352 124.044 120.570 0.203 0.000 2.499 350 I HA 0.623 4.793 4.170 0.000 0.000 0.288 350 I C 0.952 177.187 176.117 0.196 0.000 1.048 350 I CA -0.530 60.876 61.300 0.176 0.000 1.062 350 I CB 2.003 40.069 38.000 0.109 0.000 1.238 350 I HN 0.796 nan 8.210 nan 0.000 0.426 351 G N 4.536 113.458 108.800 0.204 0.000 2.249 351 G HA2 -0.310 3.650 3.960 0.000 0.000 0.273 351 G HA3 -0.310 3.650 3.960 0.000 0.000 0.273 351 G C -0.360 174.692 174.900 0.254 0.000 1.036 351 G CA 0.052 45.263 45.100 0.184 0.000 0.824 351 G HN 0.511 nan 8.290 nan 0.000 0.504 352 F N 1.198 121.227 119.950 0.132 0.000 2.425 352 F HA 0.755 5.282 4.527 0.000 0.000 0.331 352 F C 0.235 176.105 175.800 0.116 0.000 1.085 352 F CA -0.554 57.519 58.000 0.121 0.000 1.028 352 F CB 1.988 41.080 39.000 0.153 0.000 1.177 352 F HN 0.006 nan 8.300 nan 0.000 0.487 353 T N 3.783 117.954 114.554 -0.638 0.000 2.812 353 T HA 0.419 4.769 4.350 0.000 0.000 0.282 353 T C -1.062 173.045 174.700 -0.988 0.000 0.990 353 T CA -0.642 61.101 62.100 -0.594 0.000 0.960 353 T CB 1.229 69.944 68.868 -0.255 0.000 0.948 353 T HN 0.626 nan 8.240 nan 0.000 0.438 354 S N 3.038 118.320 115.700 -0.696 0.000 2.473 354 S HA 0.672 5.143 4.470 0.000 0.000 0.307 354 S C -1.478 173.017 174.600 -0.174 0.000 1.094 354 S CA -0.684 57.237 58.200 -0.465 0.000 1.070 354 S CB 0.696 63.709 63.200 -0.312 0.000 1.019 354 S HN 0.697 nan 8.310 nan 0.000 0.480 355 Y N 4.101 124.253 120.300 -0.247 0.000 2.376 355 Y HA 0.575 5.125 4.550 0.000 0.000 0.340 355 Y C 0.280 176.031 175.900 -0.249 0.000 0.965 355 Y CA -0.694 57.274 58.100 -0.221 0.000 1.078 355 Y CB 1.043 39.350 38.460 -0.255 0.000 1.193 355 Y HN 0.912 nan 8.280 nan 0.000 0.452 356 R N 3.270 123.140 120.500 -1.050 0.000 3.251 356 R HA -0.201 4.139 4.340 0.000 0.000 0.249 356 R C -1.359 174.721 176.300 -0.367 0.000 0.949 356 R CA 0.704 56.286 56.100 -0.863 0.000 0.645 356 R CB -1.660 27.723 30.300 -1.528 0.000 1.065 356 R HN 0.781 nan 8.270 nan 0.000 0.452 357 A N 0.293 122.979 122.820 -0.224 0.000 2.450 357 A HA 0.477 4.798 4.320 0.000 0.000 0.255 357 A C 1.715 179.184 177.584 -0.191 0.000 1.096 357 A CA 0.135 52.081 52.037 -0.152 0.000 0.778 357 A CB 0.498 19.429 19.000 -0.114 0.000 1.031 357 A HN 0.658 nan 8.150 nan 0.000 0.494 358 G N 0.955 109.563 108.800 -0.319 0.000 2.462 358 G HA2 -0.090 3.870 3.960 0.000 0.000 0.220 358 G HA3 -0.090 3.870 3.960 0.000 0.000 0.220 358 G C 0.899 175.585 174.900 -0.358 0.000 1.121 358 G CA 1.360 46.055 45.100 -0.675 0.000 0.758 358 G HN 0.840 nan 8.290 nan 0.000 0.559 359 E N -1.192 118.875 120.200 -0.221 0.000 3.980 359 E HA 0.363 4.713 4.350 0.000 0.000 0.275 359 E C -0.138 176.372 176.600 -0.150 0.000 0.939 359 E CA -0.443 55.853 56.400 -0.174 0.000 1.170 359 E CB 0.591 30.200 29.700 -0.151 0.000 2.606 359 E HN 0.183 nan 8.360 nan 0.000 0.510 360 S N -0.846 114.774 115.700 -0.132 0.000 2.638 360 S HA 0.408 4.878 4.470 0.000 0.000 0.298 360 S C 0.615 175.148 174.600 -0.112 0.000 1.111 360 S CA -0.258 57.863 58.200 -0.131 0.000 1.027 360 S CB 1.560 64.676 63.200 -0.139 0.000 1.064 360 S HN 0.590 nan 8.310 nan 0.000 0.525 361 G N 0.636 109.333 108.800 -0.172 0.000 2.404 361 G HA2 0.090 4.050 3.960 0.000 0.000 0.214 361 G HA3 0.090 4.050 3.960 0.000 0.000 0.214 361 G C -0.005 174.865 174.900 -0.049 0.000 1.189 361 G CA 0.622 45.624 45.100 -0.163 0.000 0.789 361 G HN 0.530 nan 8.290 nan 0.000 0.533 362 V N 0.221 120.034 119.914 -0.168 0.000 2.577 362 V HA 0.554 4.674 4.120 0.000 0.000 0.303 362 V C -0.587 175.512 176.094 0.009 0.000 1.042 362 V CA -0.922 61.397 62.300 0.031 0.000 0.872 362 V CB 1.954 33.867 31.823 0.149 0.000 0.998 362 V HN 0.296 nan 8.190 nan 0.000 0.423 363 K N 2.851 123.314 120.400 0.106 0.000 2.482 363 K HA 0.682 5.002 4.320 0.000 0.000 0.251 363 K C -0.713 176.026 176.600 0.232 0.000 0.936 363 K CA -0.393 55.932 56.287 0.063 0.000 0.791 363 K CB 2.250 34.740 32.500 -0.016 0.000 1.213 363 K HN 0.804 nan 8.250 nan 0.000 0.428 364 T N 0.329 114.963 114.554 0.133 0.000 2.758 364 T HA 0.371 4.722 4.350 0.000 0.000 0.285 364 T C -0.203 174.644 174.700 0.246 0.000 0.981 364 T CA -0.723 61.538 62.100 0.269 0.000 0.965 364 T CB 0.213 69.155 68.868 0.123 0.000 0.927 364 T HN 0.397 nan 8.240 nan 0.000 0.448 365 W N 2.341 123.699 121.300 0.095 0.000 2.123 365 W HA 0.423 5.083 4.660 0.000 0.000 0.351 365 W C 0.577 177.129 176.519 0.054 0.000 1.292 365 W CA -0.028 57.352 57.345 0.059 0.000 1.263 365 W CB 0.233 29.724 29.460 0.052 0.000 1.165 365 W HN 0.656 nan 8.180 nan 0.000 0.590 366 Q N 0.905 120.814 119.800 0.181 0.000 2.413 366 Q HA 0.657 4.997 4.340 0.000 0.000 0.276 366 Q C 0.404 176.493 176.000 0.147 0.000 1.099 366 Q CA -0.177 55.701 55.803 0.125 0.000 0.814 366 Q CB 1.942 30.704 28.738 0.041 0.000 1.379 366 Q HN 0.759 nan 8.270 nan 0.000 0.436 367 G N 0.378 109.252 108.800 0.124 0.000 2.697 367 G HA2 -0.237 3.724 3.960 0.000 0.000 0.240 367 G HA3 -0.237 3.724 3.960 0.000 0.000 0.240 367 G C -0.698 174.277 174.900 0.125 0.000 1.346 367 G CA -0.421 44.746 45.100 0.111 0.000 0.887 367 G HN 0.594 nan 8.290 nan 0.000 0.569 368 T N 0.384 114.996 114.554 0.098 0.000 2.794 368 T HA 0.487 4.837 4.350 0.000 0.000 0.296 368 T C 0.246 174.999 174.700 0.089 0.000 0.949 368 T CA -0.061 62.087 62.100 0.080 0.000 1.101 368 T CB 1.416 70.320 68.868 0.059 0.000 0.905 368 T HN 0.922 nan 8.240 nan 0.000 0.516 369 V N 3.987 123.940 119.914 0.066 0.000 2.378 369 V HA 0.679 4.799 4.120 0.000 0.000 0.288 369 V C 0.968 177.062 176.094 -0.001 0.000 1.016 369 V CA 0.402 62.735 62.300 0.054 0.000 0.840 369 V CB 0.583 32.420 31.823 0.025 0.000 0.994 369 V HN 1.227 nan 8.190 nan 0.000 0.431 370 G N 5.215 114.019 108.800 0.007 0.000 2.536 370 G HA2 -0.295 3.665 3.960 0.000 0.000 0.277 370 G HA3 -0.295 3.665 3.960 0.000 0.000 0.277 370 G C 0.921 175.820 174.900 -0.000 0.000 1.155 370 G CA 0.640 45.736 45.100 -0.008 0.000 0.960 370 G HN 1.061 nan 8.290 nan 0.000 0.544 371 S N -0.244 115.449 115.700 -0.011 0.000 2.603 371 S HA 0.526 4.996 4.470 0.000 0.000 0.232 371 S C 0.717 175.313 174.600 -0.006 0.000 1.016 371 S CA 1.462 59.660 58.200 -0.003 0.000 0.976 371 S CB -0.033 63.164 63.200 -0.005 0.000 0.921 371 S HN 1.137 nan 8.310 nan 0.000 0.516 372 T N -0.044 114.497 114.554 -0.023 0.000 2.724 372 T HA 0.484 4.834 4.350 0.000 0.000 0.274 372 T C -0.566 174.119 174.700 -0.026 0.000 0.984 372 T CA -0.269 61.811 62.100 -0.034 0.000 1.024 372 T CB 1.660 70.476 68.868 -0.086 0.000 1.320 372 T HN 0.088 nan 8.240 nan 0.000 0.555 373 T N 0.559 115.089 114.554 -0.040 0.000 2.856 373 T HA 0.400 4.750 4.350 0.000 0.000 0.292 373 T C 1.125 175.779 174.700 -0.077 0.000 0.980 373 T CA 0.072 62.173 62.100 0.002 0.000 1.091 373 T CB 0.498 69.427 68.868 0.102 0.000 0.936 373 T HN 0.625 nan 8.240 nan 0.000 0.503 374 S N 3.993 119.711 115.700 0.029 0.000 2.539 374 S HA 0.284 4.755 4.470 0.000 0.000 0.221 374 S C 0.708 175.393 174.600 0.141 0.000 0.987 374 S CA -0.656 57.564 58.200 0.033 0.000 0.929 374 S CB -0.002 63.277 63.200 0.132 0.000 0.832 374 S HN 0.725 nan 8.310 nan 0.000 0.492 375 R N 1.465 122.076 120.500 0.185 0.000 2.827 375 R HA 0.348 4.688 4.340 0.000 0.000 0.269 375 R C -0.750 175.769 176.300 0.365 0.000 1.048 375 R CA 0.264 56.514 56.100 0.250 0.000 1.173 375 R CB 0.042 30.489 30.300 0.244 0.000 1.070 375 R HN 0.402 nan 8.270 nan 0.000 0.498 376 N N -0.427 118.414 118.700 0.234 0.000 2.229 376 N HA 0.383 5.124 4.740 0.000 0.000 0.298 376 N C -1.674 173.880 175.510 0.073 0.000 1.114 376 N CA -0.593 52.657 53.050 0.335 0.000 0.776 376 N CB 1.523 40.201 38.487 0.319 0.000 1.501 376 N HN 0.356 nan 8.380 nan 0.000 0.474 377 Y N -0.142 120.321 120.300 0.272 0.000 2.576 377 Y HA 0.421 4.972 4.550 0.000 0.000 0.346 377 Y C 0.028 175.974 175.900 0.076 0.000 1.018 377 Y CA -0.999 57.142 58.100 0.069 0.000 1.050 377 Y CB 1.437 39.843 38.460 -0.091 0.000 1.280 377 Y HN 0.477 nan 8.280 nan 0.000 0.474 378 N N 0.959 119.776 118.700 0.194 0.000 2.716 378 N HA -0.210 4.531 4.740 0.000 0.000 0.250 378 N C -1.232 174.321 175.510 0.072 0.000 1.033 378 N CA 0.848 53.982 53.050 0.139 0.000 0.727 378 N CB -1.082 37.452 38.487 0.079 0.000 0.950 378 N HN 0.506 nan 8.380 nan 0.000 0.541 379 L N 0.131 121.449 121.223 0.158 0.000 2.358 379 L HA 0.355 4.695 4.340 0.000 0.000 0.268 379 L C 0.830 177.409 176.870 -0.486 0.000 1.032 379 L CA -0.719 53.912 54.840 -0.348 0.000 0.805 379 L CB 1.142 42.769 42.059 -0.720 0.000 1.253 379 L HN -0.008 nan 8.230 nan 0.000 0.452 380 Q N 0.929 120.292 119.800 -0.728 0.000 2.282 380 Q HA 0.521 4.861 4.340 0.000 0.000 0.260 380 Q C -1.688 173.779 176.000 -0.888 0.000 0.964 380 Q CA -0.325 55.166 55.803 -0.520 0.000 0.880 380 Q CB 2.228 30.832 28.738 -0.223 0.000 1.286 380 Q HN 0.342 nan 8.270 nan 0.000 0.445 381 F N 1.943 121.890 119.950 -0.005 0.000 2.771 381 F HA 0.464 4.991 4.527 0.000 0.000 0.365 381 F C -0.191 175.622 175.800 0.022 0.000 1.169 381 F CA -0.646 57.377 58.000 0.038 0.000 1.093 381 F CB 1.185 40.201 39.000 0.026 0.000 1.363 381 F HN 0.227 nan 8.300 nan 0.000 0.496 382 R N 0.892 121.488 120.500 0.160 0.000 2.740 382 R HA 0.365 4.706 4.340 0.000 0.000 0.273 382 R C -1.086 175.288 176.300 0.124 0.000 0.998 382 R CA -1.216 54.944 56.100 0.100 0.000 0.900 382 R CB 1.854 32.190 30.300 0.059 0.000 1.223 382 R HN 0.425 nan 8.270 nan 0.000 0.466 383 D N 0.388 120.839 120.400 0.085 0.000 2.701 383 D HA -0.149 4.491 4.640 0.000 0.000 0.235 383 D C -0.898 175.492 176.300 0.150 0.000 1.155 383 D CA 1.240 55.296 54.000 0.093 0.000 0.649 383 D CB -0.877 39.971 40.800 0.079 0.000 1.050 383 D HN 0.376 nan 8.370 nan 0.000 0.425 384 S N -1.106 114.719 115.700 0.209 0.000 2.600 384 S HA 0.779 5.250 4.470 0.000 0.000 0.300 384 S C 0.056 174.851 174.600 0.324 0.000 1.087 384 S CA -0.794 57.597 58.200 0.318 0.000 0.965 384 S CB 3.082 66.604 63.200 0.537 0.000 1.089 384 S HN 0.019 nan 8.310 nan 0.000 0.496 385 V N 1.831 121.883 119.914 0.231 0.000 2.656 385 V HA 0.620 4.740 4.120 0.000 0.000 0.307 385 V C -0.996 175.116 176.094 0.029 0.000 1.051 385 V CA -0.612 61.776 62.300 0.147 0.000 0.893 385 V CB 1.869 33.719 31.823 0.046 0.000 0.999 385 V HN 0.664 nan 8.190 nan 0.000 0.426 386 V N 5.989 125.915 119.914 0.020 0.000 2.482 386 V HA 0.556 4.676 4.120 0.000 0.000 0.295 386 V C -0.448 175.589 176.094 -0.095 0.000 1.026 386 V CA -0.417 61.800 62.300 -0.138 0.000 0.856 386 V CB 1.688 33.296 31.823 -0.357 0.000 1.001 386 V HN 0.802 nan 8.190 nan 0.000 0.424 387 I N 1.509 122.024 120.570 -0.092 0.000 2.509 387 I HA 0.639 4.810 4.170 0.000 0.000 0.293 387 I C -0.299 175.768 176.117 -0.084 0.000 1.020 387 I CA -0.981 60.232 61.300 -0.145 0.000 1.088 387 I CB 1.507 39.492 38.000 -0.024 0.000 1.267 387 I HN 0.684 nan 8.210 nan 0.000 0.430 388 Y N 2.440 122.779 120.300 0.065 0.000 3.168 388 Y HA -0.140 4.410 4.550 0.000 0.000 0.207 388 Y C -2.185 173.805 175.900 0.150 0.000 1.280 388 Y CA -0.179 57.995 58.100 0.124 0.000 1.235 388 Y CB -1.897 36.454 38.460 -0.182 0.000 1.370 388 Y HN 0.545 nan 8.280 nan 0.000 0.537 389 P HA 0.171 nan 4.420 nan 0.000 0.279 389 P C 0.930 178.271 177.300 0.069 0.000 1.239 389 P CA -0.218 62.906 63.100 0.040 0.000 0.789 389 P CB 2.046 33.704 31.700 -0.071 0.000 0.933 390 V N 1.882 121.811 119.914 0.024 0.000 2.626 390 V HA -0.174 3.946 4.120 0.000 0.000 0.252 390 V C 1.739 177.683 176.094 -0.249 0.000 1.067 390 V CA 2.690 64.910 62.300 -0.133 0.000 1.081 390 V CB -1.089 30.748 31.823 0.024 0.000 0.686 390 V HN 0.722 nan 8.190 nan 0.000 0.468 391 A N -0.594 122.116 122.820 -0.183 0.000 3.078 391 A HA 0.410 4.730 4.320 0.000 0.000 0.206 391 A C -0.178 177.317 177.584 -0.148 0.000 1.967 391 A CA -0.159 51.763 52.037 -0.191 0.000 1.845 391 A CB -0.054 18.833 19.000 -0.189 0.000 1.345 391 A HN 0.376 nan 8.150 nan 0.000 0.393 392 D N -0.789 119.531 120.400 -0.133 0.000 2.268 392 D HA 0.473 5.113 4.640 0.000 0.000 0.249 392 D C 0.989 177.229 176.300 -0.101 0.000 1.008 392 D CA 0.293 54.236 54.000 -0.096 0.000 0.939 392 D CB 1.354 42.097 40.800 -0.096 0.000 1.170 392 D HN 0.391 nan 8.370 nan 0.000 0.468 393 G N 0.160 108.932 108.800 -0.046 0.000 2.454 393 G HA2 -0.066 3.894 3.960 0.000 0.000 0.214 393 G HA3 -0.066 3.894 3.960 0.000 0.000 0.214 393 G C 0.004 174.702 174.900 -0.337 0.000 1.217 393 G CA 0.441 45.466 45.100 -0.125 0.000 0.799 393 G HN 0.378 nan 8.290 nan 0.000 0.538 394 F N 0.449 120.413 119.950 0.023 0.000 2.460 394 F HA 0.401 4.928 4.527 0.000 0.000 0.341 394 F C -1.004 174.670 175.800 -0.208 0.000 1.130 394 F CA -1.167 56.802 58.000 -0.051 0.000 0.962 394 F CB 2.261 41.301 39.000 0.066 0.000 1.171 394 F HN -0.065 nan 8.300 nan 0.000 0.436 395 D N 5.050 125.400 120.400 -0.084 0.000 2.485 395 D HA 0.307 4.947 4.640 0.000 0.000 0.229 395 D C -0.133 176.059 176.300 -0.181 0.000 1.101 395 D CA -0.054 53.857 54.000 -0.149 0.000 0.906 395 D CB 0.603 41.314 40.800 -0.148 0.000 1.019 395 D HN 0.544 nan 8.370 nan 0.000 0.516 396 L N 2.519 123.593 121.223 -0.249 0.000 2.928 396 L HA 0.420 4.760 4.340 0.000 0.000 0.246 396 L C 1.309 178.124 176.870 -0.093 0.000 1.239 396 L CA -0.643 54.045 54.840 -0.254 0.000 1.035 396 L CB 0.615 42.450 42.059 -0.373 0.000 1.360 396 L HN 0.282 nan 8.230 nan 0.000 0.529 397 G N -0.624 108.135 108.800 -0.068 0.000 2.537 397 G HA2 0.452 4.412 3.960 0.000 0.000 0.273 397 G HA3 0.452 4.412 3.960 0.000 0.000 0.273 397 G C 0.550 175.477 174.900 0.046 0.000 1.189 397 G CA 0.435 45.539 45.100 0.005 0.000 0.881 397 G HN 0.226 nan 8.290 nan 0.000 0.535 398 A N -0.311 122.554 122.820 0.075 0.000 2.066 398 A HA 0.356 4.676 4.320 0.000 0.000 0.198 398 A C 0.594 178.233 177.584 0.091 0.000 1.405 398 A CA 0.273 52.353 52.037 0.071 0.000 0.973 398 A CB 0.529 19.532 19.000 0.005 0.000 1.026 398 A HN 0.508 nan 8.150 nan 0.000 0.474 399 D N 0.742 121.211 120.400 0.115 0.000 2.228 399 D HA 0.510 5.150 4.640 0.000 0.000 0.247 399 D C -0.053 176.323 176.300 0.126 0.000 0.995 399 D CA 0.275 54.312 54.000 0.062 0.000 0.903 399 D CB 1.794 42.520 40.800 -0.123 0.000 1.205 399 D HN 0.323 nan 8.370 nan 0.000 0.459 408 R N 1.707 122.262 120.500 0.091 0.000 2.629 408 R HA 0.277 4.618 4.340 0.000 0.000 0.277 408 R C -2.718 173.645 176.300 0.106 0.000 1.637 408 R CA -1.410 54.758 56.100 0.113 0.000 1.663 408 R CB 1.322 31.719 30.300 0.163 0.000 1.228 408 R HN -0.045 nan 8.270 nan 0.000 0.632 409 P HA -0.071 nan 4.420 nan 0.000 0.262 409 P C 0.817 178.161 177.300 0.074 0.000 1.182 409 P CA 1.148 64.287 63.100 0.065 0.000 0.761 409 P CB 0.867 32.594 31.700 0.045 0.000 0.795 410 G N 1.563 110.409 108.800 0.077 0.000 2.179 410 G HA2 -0.197 3.763 3.960 0.000 0.000 0.260 410 G HA3 -0.197 3.763 3.960 0.000 0.000 0.260 410 G C 0.061 175.065 174.900 0.175 0.000 0.977 410 G CA 0.356 45.516 45.100 0.099 0.000 0.641 410 G HN 0.630 nan 8.290 nan 0.000 0.533 411 D N -1.597 118.896 120.400 0.154 0.000 2.758 411 D HA 0.504 5.144 4.640 0.000 0.000 0.279 411 D C -0.057 176.301 176.300 0.096 0.000 1.111 411 D CA -0.776 53.319 54.000 0.159 0.000 1.109 411 D CB 0.765 41.745 40.800 0.299 0.000 1.428 411 D HN 0.030 nan 8.370 nan 0.000 0.586 412 Y N 0.944 121.385 120.300 0.236 0.000 2.610 412 Y HA 0.127 4.678 4.550 0.000 0.000 0.332 412 Y C -1.324 174.693 175.900 0.194 0.000 1.201 412 Y CA -0.833 57.412 58.100 0.243 0.000 1.465 412 Y CB 0.350 39.074 38.460 0.440 0.000 1.283 412 Y HN 0.032 nan 8.280 nan 0.000 0.563 413 P HA 0.023 nan 4.420 nan 0.000 0.277 413 P C 0.542 177.937 177.300 0.157 0.000 1.240 413 P CA -0.266 62.941 63.100 0.177 0.000 0.798 413 P CB 1.207 32.974 31.700 0.112 0.000 0.979 414 I N 1.692 122.329 120.570 0.112 0.000 2.423 414 I HA -0.189 3.981 4.170 0.000 0.000 0.254 414 I C 2.249 178.391 176.117 0.042 0.000 1.151 414 I CA 2.164 63.514 61.300 0.083 0.000 1.421 414 I CB -1.890 36.142 38.000 0.054 0.000 1.079 414 I HN 0.454 nan 8.210 nan 0.000 0.431 415 T N -1.986 112.582 114.554 0.023 0.000 2.904 415 T HA -0.206 4.144 4.350 0.000 0.000 0.267 415 T C 1.788 176.445 174.700 -0.070 0.000 1.059 415 T CA 1.067 63.158 62.100 -0.014 0.000 1.137 415 T CB -0.187 68.675 68.868 -0.009 0.000 0.879 415 T HN 0.386 nan 8.240 nan 0.000 0.467 416 Q N -0.218 119.521 119.800 -0.102 0.000 2.036 416 Q HA 0.089 4.429 4.340 0.000 0.000 0.195 416 Q C -0.477 175.208 176.000 -0.524 0.000 0.971 416 Q CA 0.715 56.318 55.803 -0.334 0.000 0.826 416 Q CB 0.278 28.817 28.738 -0.332 0.000 0.896 416 Q HN 0.650 nan 8.270 nan 0.000 0.449 417 Y N 0.304 120.603 120.300 -0.002 0.000 2.326 417 Y HA 0.426 4.976 4.550 0.000 0.000 0.331 417 Y C -2.218 173.692 175.900 0.017 0.000 0.962 417 Y CA -3.113 54.979 58.100 -0.013 0.000 1.167 417 Y CB 1.480 39.916 38.460 -0.040 0.000 1.148 417 Y HN 0.181 nan 8.280 nan 0.000 0.463 418 P HA -0.002 nan 4.420 nan 0.000 0.272 418 P C -0.447 176.889 177.300 0.061 0.000 1.254 418 P CA -0.492 62.651 63.100 0.071 0.000 0.795 418 P CB 0.738 32.463 31.700 0.041 0.000 1.022 419 L N 2.917 124.133 121.223 -0.013 0.000 2.525 419 L HA -0.043 4.297 4.340 0.000 0.000 0.278 419 L C 0.855 177.666 176.870 -0.098 0.000 1.218 419 L CA 1.026 55.773 54.840 -0.155 0.000 0.878 419 L CB -0.955 40.953 42.059 -0.252 0.000 1.127 419 L HN 0.502 nan 8.230 nan 0.000 0.492 420 H N 2.263 121.369 119.070 0.061 0.000 3.211 420 H HA -0.186 4.370 4.556 0.000 0.000 0.240 420 H C 0.108 175.465 175.328 0.047 0.000 1.148 420 H CA 1.311 57.387 56.048 0.046 0.000 1.160 420 H CB -1.235 28.549 29.762 0.037 0.000 1.232 420 H HN 0.787 nan 8.280 nan 0.000 0.321 421 Q N 0.288 120.170 119.800 0.136 0.000 2.155 421 Q HA 0.349 4.689 4.340 0.000 0.000 0.273 421 Q C 0.325 176.353 176.000 0.046 0.000 0.857 421 Q CA -0.206 55.670 55.803 0.123 0.000 1.116 421 Q CB 1.146 29.977 28.738 0.156 0.000 1.209 421 Q HN 0.260 nan 8.270 nan 0.000 0.460 422 L N 2.872 124.082 121.223 -0.022 0.000 2.417 422 L HA 0.217 4.557 4.340 0.000 0.000 0.268 422 L C -1.709 175.017 176.870 -0.240 0.000 1.158 422 L CA -1.662 53.058 54.840 -0.201 0.000 0.819 422 L CB 0.434 42.480 42.059 -0.023 0.000 1.112 422 L HN -0.039 nan 8.230 nan 0.000 0.458 423 P HA 0.096 nan 4.420 nan 0.000 0.225 423 P C 0.802 178.098 177.300 -0.007 0.000 1.813 423 P CA -0.064 62.905 63.100 -0.218 0.000 1.013 423 P CB 0.131 31.621 31.700 -0.350 0.000 1.961 424 L N 0.913 122.067 121.223 -0.116 0.000 2.079 424 L HA -0.211 4.129 4.340 0.000 0.000 0.210 424 L C 0.844 177.529 176.870 -0.308 0.000 1.081 424 L CA 1.168 55.813 54.840 -0.326 0.000 0.752 424 L CB -1.338 40.408 42.059 -0.522 0.000 0.896 424 L HN 0.246 nan 8.230 nan 0.000 0.433 425 N N -1.932 116.671 118.700 -0.162 0.000 2.714 425 N HA -0.188 4.552 4.740 0.000 0.000 0.250 425 N C -0.263 175.250 175.510 0.005 0.000 1.117 425 N CA 0.254 53.279 53.050 -0.042 0.000 0.719 425 N CB -0.972 37.537 38.487 0.037 0.000 1.081 425 N HN 0.396 nan 8.380 nan 0.000 0.557 426 H N 0.242 119.377 119.070 0.109 0.000 2.790 426 H HA 0.185 4.742 4.556 0.000 0.000 0.358 426 H C 0.352 175.744 175.328 0.106 0.000 1.103 426 H CA -0.050 56.074 56.048 0.127 0.000 1.426 426 H CB 0.607 30.541 29.762 0.286 0.000 1.424 426 H HN 0.109 nan 8.280 nan 0.000 0.599 427 L N 4.450 125.785 121.223 0.187 0.000 2.259 427 L HA 0.301 4.641 4.340 0.000 0.000 0.288 427 L C -0.626 176.328 176.870 0.140 0.000 1.051 427 L CA 0.099 55.003 54.840 0.108 0.000 0.824 427 L CB -0.402 41.678 42.059 0.035 0.000 1.206 427 L HN 0.400 nan 8.230 nan 0.000 0.429 428 I N 4.632 125.302 120.570 0.167 0.000 2.382 428 I HA 0.454 4.624 4.170 0.000 0.000 0.286 428 I C -0.942 175.214 176.117 0.065 0.000 1.002 428 I CA -0.420 60.983 61.300 0.171 0.000 1.135 428 I CB 1.660 39.811 38.000 0.252 0.000 1.288 428 I HN 0.549 nan 8.210 nan 0.000 0.448 429 D N 4.781 125.196 120.400 0.024 0.000 2.803 429 D HA 0.258 4.898 4.640 0.000 0.000 0.218 429 D C -0.496 175.783 176.300 -0.036 0.000 1.245 429 D CA -0.379 53.612 54.000 -0.016 0.000 0.821 429 D CB 1.114 41.915 40.800 0.002 0.000 1.626 429 D HN 0.426 nan 8.370 nan 0.000 0.487 430 N N 1.922 120.587 118.700 -0.058 0.000 2.648 430 N HA -0.158 4.582 4.740 0.000 0.000 0.265 430 N C -1.684 173.793 175.510 -0.055 0.000 1.100 430 N CA 0.824 53.846 53.050 -0.047 0.000 0.715 430 N CB -0.895 37.585 38.487 -0.011 0.000 0.881 430 N HN 0.461 nan 8.380 nan 0.000 0.548 431 L N 0.540 121.685 121.223 -0.131 0.000 2.342 431 L HA 0.741 5.081 4.340 0.000 0.000 0.271 431 L C -0.178 176.657 176.870 -0.059 0.000 1.008 431 L CA -1.234 53.515 54.840 -0.152 0.000 0.818 431 L CB 1.627 43.377 42.059 -0.514 0.000 1.296 431 L HN 0.199 nan 8.230 nan 0.000 0.427 432 L N 2.831 124.105 121.223 0.085 0.000 2.386 432 L HA 0.777 5.117 4.340 0.000 0.000 0.271 432 L C -1.151 175.836 176.870 0.195 0.000 0.993 432 L CA -0.382 54.514 54.840 0.093 0.000 0.819 432 L CB 2.145 44.241 42.059 0.062 0.000 1.294 432 L HN 0.280 nan 8.230 nan 0.000 0.414 433 V N 5.008 125.004 119.914 0.137 0.000 2.686 433 V HA 0.713 4.833 4.120 0.000 0.000 0.306 433 V C -0.691 175.414 176.094 0.018 0.000 1.065 433 V CA -0.668 61.708 62.300 0.126 0.000 0.894 433 V CB 2.016 33.968 31.823 0.214 0.000 1.004 433 V HN 0.848 nan 8.190 nan 0.000 0.424 434 R N 2.552 123.008 120.500 -0.073 0.000 2.584 434 R HA 0.606 4.946 4.340 0.000 0.000 0.276 434 R C 0.571 176.653 176.300 -0.363 0.000 1.046 434 R CA 0.355 56.361 56.100 -0.157 0.000 0.906 434 R CB 1.928 32.137 30.300 -0.152 0.000 1.215 434 R HN 1.266 nan 8.270 nan 0.000 0.449 435 G N 1.590 110.241 108.800 -0.248 0.000 2.143 435 G HA2 -0.280 3.680 3.960 0.000 0.000 0.248 435 G HA3 -0.280 3.680 3.960 0.000 0.000 0.248 435 G C 0.100 175.107 174.900 0.179 0.000 0.991 435 G CA 0.207 45.192 45.100 -0.192 0.000 0.689 435 G HN 0.896 nan 8.290 nan 0.000 0.522 436 A N -0.516 122.347 122.820 0.072 0.000 2.488 436 A HA 0.637 4.957 4.320 0.000 0.000 0.249 436 A C 1.384 178.954 177.584 -0.024 0.000 1.083 436 A CA 0.561 52.636 52.037 0.063 0.000 0.768 436 A CB 0.515 19.514 19.000 -0.001 0.000 1.017 436 A HN 1.190 nan 8.150 nan 0.000 0.496 437 L N 3.121 124.163 121.223 -0.303 0.000 2.313 437 L HA 0.182 4.522 4.340 0.000 0.000 0.214 437 L C 1.438 178.216 176.870 -0.154 0.000 1.119 437 L CA 2.075 56.577 54.840 -0.563 0.000 0.809 437 L CB -0.697 40.656 42.059 -1.177 0.000 0.933 437 L HN 0.781 nan 8.230 nan 0.000 0.449 438 G N -1.622 107.095 108.800 -0.139 0.000 3.392 438 G HA2 0.391 4.351 3.960 0.000 0.000 0.188 438 G HA3 0.391 4.351 3.960 0.000 0.000 0.188 438 G C -0.828 174.054 174.900 -0.031 0.000 1.485 438 G CA -0.095 44.959 45.100 -0.077 0.000 0.943 438 G HN -0.127 nan 8.290 nan 0.000 0.627 439 V N 1.258 121.142 119.914 -0.049 0.000 2.439 439 V HA 0.467 4.588 4.120 0.000 0.000 0.282 439 V C 1.624 177.743 176.094 0.040 0.000 1.039 439 V CA 0.343 62.641 62.300 -0.003 0.000 0.913 439 V CB 1.032 32.840 31.823 -0.025 0.000 0.983 439 V HN 0.790 nan 8.190 nan 0.000 0.460 440 G N 3.830 112.686 108.800 0.094 0.000 2.433 440 G HA2 -0.139 3.821 3.960 0.000 0.000 0.216 440 G HA3 -0.139 3.821 3.960 0.000 0.000 0.216 440 G C 0.150 175.228 174.900 0.296 0.000 1.186 440 G CA 0.873 46.067 45.100 0.156 0.000 0.779 440 G HN 0.515 nan 8.290 nan 0.000 0.543 441 F N 0.614 120.627 119.950 0.105 0.000 2.617 441 F HA 0.636 5.164 4.527 0.000 0.000 0.325 441 F C -0.145 175.714 175.800 0.099 0.000 1.179 441 F CA -0.895 57.183 58.000 0.129 0.000 0.965 441 F CB 1.619 40.670 39.000 0.084 0.000 1.232 441 F HN 0.215 nan 8.300 nan 0.000 0.461 442 G N 6.702 115.257 108.800 -0.408 0.000 2.524 442 G HA2 0.753 4.713 3.960 0.000 0.000 0.310 442 G HA3 0.753 4.713 3.960 0.000 0.000 0.310 442 G C -1.478 173.159 174.900 -0.440 0.000 1.279 442 G CA -0.869 44.065 45.100 -0.276 0.000 0.974 442 G HN 0.964 nan 8.290 nan 0.000 0.484 443 M N 0.396 119.849 119.600 -0.245 0.000 3.069 443 M HA 0.650 5.130 4.480 0.000 0.000 0.274 443 M C -2.343 173.928 176.300 -0.047 0.000 1.146 443 M CA -0.986 54.214 55.300 -0.167 0.000 0.807 443 M CB 2.366 34.836 32.600 -0.216 0.000 1.621 443 M HN 0.579 nan 8.290 nan 0.000 0.521 444 D N -0.485 119.920 120.400 0.008 0.000 2.664 444 D HA 0.928 5.568 4.640 0.000 0.000 0.292 444 D C -0.239 176.098 176.300 0.063 0.000 1.214 444 D CA 0.283 54.309 54.000 0.043 0.000 0.932 444 D CB 1.555 42.415 40.800 0.100 0.000 1.420 444 D HN 1.385 nan 8.370 nan 0.000 0.471 445 G N -0.898 107.948 108.800 0.077 0.000 2.357 445 G HA2 0.311 4.272 3.960 0.000 0.000 0.643 445 G HA3 0.311 4.272 3.960 0.000 0.000 0.643 445 G C -1.689 173.235 174.900 0.039 0.000 1.358 445 G CA -0.689 44.431 45.100 0.033 0.000 0.986 445 G HN 0.617 nan 8.290 nan 0.000 0.620 446 K N -0.358 120.042 120.400 0.002 0.000 2.316 446 K HA 0.600 4.920 4.320 0.000 0.000 0.251 446 K C 0.916 177.481 176.600 -0.058 0.000 0.934 446 K CA 0.108 56.397 56.287 0.003 0.000 0.802 446 K CB 1.445 33.981 32.500 0.061 0.000 1.171 446 K HN 2.408 nan 8.250 nan 0.000 0.426 447 G N 3.414 112.149 108.800 -0.107 0.000 2.221 447 G HA2 -0.203 3.757 3.960 0.000 0.000 0.265 447 G HA3 -0.203 3.757 3.960 0.000 0.000 0.265 447 G C -0.024 174.795 174.900 -0.134 0.000 1.041 447 G CA 0.181 45.202 45.100 -0.132 0.000 0.807 447 G HN 0.324 nan 8.290 nan 0.000 0.502 448 M N -0.675 118.810 119.600 -0.191 0.000 2.274 448 M HA 0.509 4.990 4.480 0.000 0.000 0.344 448 M C -0.118 175.978 176.300 -0.339 0.000 1.161 448 M CA -0.583 54.623 55.300 -0.157 0.000 1.126 448 M CB 0.774 33.301 32.600 -0.121 0.000 1.522 448 M HN 0.120 nan 8.290 nan 0.000 0.461 449 Y N 0.778 120.973 120.300 -0.174 0.000 2.328 449 Y HA 0.520 5.070 4.550 0.000 0.000 0.333 449 Y C -0.326 175.480 175.900 -0.157 0.000 0.958 449 Y CA -0.605 57.377 58.100 -0.197 0.000 1.167 449 Y CB 1.568 39.956 38.460 -0.121 0.000 1.151 449 Y HN 0.326 nan 8.280 nan 0.000 0.470 450 V N 3.528 123.360 119.914 -0.136 0.000 2.604 450 V HA 0.730 4.850 4.120 0.000 0.000 0.305 450 V C -0.616 175.478 176.094 0.001 0.000 1.043 450 V CA -0.702 61.582 62.300 -0.026 0.000 0.888 450 V CB 1.840 33.694 31.823 0.051 0.000 0.995 450 V HN 0.773 nan 8.190 nan 0.000 0.429 451 S N 2.566 118.266 115.700 -0.001 0.000 2.579 451 S HA 0.578 5.048 4.470 0.000 0.000 0.272 451 S C -0.481 174.087 174.600 -0.054 0.000 1.141 451 S CA -0.874 57.319 58.200 -0.011 0.000 0.843 451 S CB 1.756 64.960 63.200 0.007 0.000 1.122 451 S HN 0.751 nan 8.310 nan 0.000 0.468 452 N N 0.520 119.191 118.700 -0.049 0.000 2.696 452 N HA -0.112 4.629 4.740 0.000 0.000 0.256 452 N C -1.011 174.432 175.510 -0.112 0.000 1.031 452 N CA 0.722 53.735 53.050 -0.063 0.000 0.730 452 N CB -1.236 37.226 38.487 -0.041 0.000 0.894 452 N HN 0.664 nan 8.380 nan 0.000 0.544 453 I N 0.659 121.135 120.570 -0.157 0.000 2.354 453 I HA 0.283 4.453 4.170 0.000 0.000 0.292 453 I C 0.706 176.731 176.117 -0.154 0.000 0.989 453 I CA -0.125 61.027 61.300 -0.247 0.000 1.188 453 I CB 1.571 39.286 38.000 -0.475 0.000 1.342 453 I HN -0.075 nan 8.210 nan 0.000 0.457 454 T N 5.772 120.259 114.554 -0.111 0.000 2.815 454 T HA 0.553 4.903 4.350 0.000 0.000 0.289 454 T C -0.223 174.460 174.700 -0.028 0.000 1.000 454 T CA -0.461 61.605 62.100 -0.056 0.000 0.958 454 T CB 1.843 70.692 68.868 -0.032 0.000 0.944 454 T HN 0.230 nan 8.240 nan 0.000 0.442 455 V N 4.064 123.969 119.914 -0.015 0.000 2.444 455 V HA 0.490 4.610 4.120 0.000 0.000 0.294 455 V C -0.286 175.815 176.094 0.012 0.000 1.022 455 V CA -0.779 61.532 62.300 0.018 0.000 0.850 455 V CB 1.673 33.521 31.823 0.041 0.000 0.992 455 V HN 0.852 nan 8.190 nan 0.000 0.426 456 E N 2.424 122.630 120.200 0.010 0.000 2.288 456 E HA 0.449 4.800 4.350 0.000 0.000 0.268 456 E C -0.899 175.705 176.600 0.006 0.000 0.885 456 E CA -0.913 55.491 56.400 0.006 0.000 0.767 456 E CB 1.843 31.544 29.700 0.002 0.000 1.220 456 E HN 0.714 nan 8.360 nan 0.000 0.427 457 D N 1.054 121.465 120.400 0.018 0.000 2.890 457 D HA -0.186 4.454 4.640 0.000 0.000 0.226 457 D C -1.579 174.748 176.300 0.045 0.000 1.207 457 D CA 0.456 54.478 54.000 0.035 0.000 0.764 457 D CB -0.777 40.054 40.800 0.051 0.000 0.948 457 D HN 0.363 nan 8.370 nan 0.000 0.404 458 C N 1.335 120.652 119.300 0.029 0.000 2.456 458 C HA 0.831 5.291 4.460 0.000 0.000 0.325 458 C C 1.870 176.845 174.990 -0.025 0.000 1.217 458 C CA -0.141 58.891 59.018 0.024 0.000 1.687 458 C CB 1.193 28.946 27.740 0.021 0.000 2.270 458 C HN 0.654 nan 8.230 nan 0.000 0.499 459 A N 2.179 124.960 122.820 -0.066 0.000 1.968 459 A HA 0.376 4.696 4.320 0.000 0.000 0.217 459 A C 1.136 178.516 177.584 -0.339 0.000 1.169 459 A CA 1.490 53.370 52.037 -0.261 0.000 0.638 459 A CB -0.434 18.375 19.000 -0.318 0.000 0.812 459 A HN 1.040 nan 8.150 nan 0.000 0.446 460 G N -1.677 107.075 108.800 -0.079 0.000 3.016 460 G HA2 0.455 4.415 3.960 0.000 0.000 0.270 460 G HA3 0.455 4.415 3.960 0.000 0.000 0.270 460 G C -0.376 174.529 174.900 0.008 0.000 1.352 460 G CA -0.115 44.998 45.100 0.022 0.000 1.060 460 G HN 0.136 nan 8.290 nan 0.000 0.538 461 S N -0.690 115.028 115.700 0.031 0.000 2.642 461 S HA 0.162 4.632 4.470 0.000 0.000 0.308 461 S C 1.701 176.345 174.600 0.074 0.000 1.255 461 S CA 0.362 58.601 58.200 0.066 0.000 1.057 461 S CB 1.047 64.325 63.200 0.130 0.000 0.785 461 S HN 0.914 nan 8.310 nan 0.000 0.500 462 G N 1.942 110.786 108.800 0.074 0.000 2.408 462 G HA2 0.300 4.260 3.960 0.000 0.000 0.217 462 G HA3 0.300 4.260 3.960 0.000 0.000 0.217 462 G C 0.220 175.202 174.900 0.137 0.000 1.150 462 G CA 0.623 45.773 45.100 0.083 0.000 0.776 462 G HN 1.001 nan 8.290 nan 0.000 0.542 463 A N -1.192 121.712 122.820 0.140 0.000 2.408 463 A HA 0.620 4.940 4.320 0.000 0.000 0.295 463 A C -1.981 175.718 177.584 0.191 0.000 1.040 463 A CA -0.589 51.556 52.037 0.179 0.000 0.707 463 A CB 1.118 20.184 19.000 0.110 0.000 1.235 463 A HN 0.275 nan 8.150 nan 0.000 0.418 464 Y N 3.485 123.810 120.300 0.042 0.000 2.447 464 Y HA 0.611 5.161 4.550 0.000 0.000 0.325 464 Y C -1.188 174.717 175.900 0.008 0.000 0.976 464 Y CA -0.584 57.554 58.100 0.063 0.000 1.280 464 Y CB 1.022 39.497 38.460 0.026 0.000 1.104 464 Y HN 0.565 nan 8.280 nan 0.000 0.486 465 L N 7.639 128.707 121.223 -0.257 0.000 2.295 465 L HA 0.379 4.719 4.340 0.000 0.000 0.281 465 L C -0.406 176.261 176.870 -0.338 0.000 1.018 465 L CA -0.465 54.221 54.840 -0.256 0.000 0.841 465 L CB 1.251 43.131 42.059 -0.299 0.000 1.218 465 L HN 0.649 nan 8.230 nan 0.000 0.424 466 L N 3.780 124.860 121.223 -0.238 0.000 2.990 466 L HA 0.233 4.573 4.340 0.000 0.000 0.231 466 L C 0.459 177.284 176.870 -0.076 0.000 1.341 466 L CA -0.166 54.534 54.840 -0.233 0.000 1.208 466 L CB -0.429 41.403 42.059 -0.377 0.000 1.571 466 L HN 0.648 nan 8.230 nan 0.000 0.453 467 T N -4.039 110.504 114.554 -0.017 0.000 2.925 467 T HA 0.542 4.892 4.350 0.000 0.000 0.285 467 T C -0.749 174.031 174.700 0.134 0.000 1.021 467 T CA -0.734 61.425 62.100 0.098 0.000 1.042 467 T CB 2.522 71.530 68.868 0.232 0.000 1.037 467 T HN 0.199 nan 8.240 nan 0.000 0.481 468 H N -0.108 118.965 119.070 0.005 0.000 2.717 468 H HA 0.362 4.918 4.556 0.000 0.000 0.366 468 H C -0.318 174.988 175.328 -0.036 0.000 1.132 468 H CA -0.595 55.446 56.048 -0.012 0.000 1.180 468 H CB 1.226 30.989 29.762 0.003 0.000 1.678 468 H HN 0.955 nan 8.280 nan 0.000 0.537 469 E N 1.606 121.510 120.200 -0.492 0.000 2.297 469 E HA -0.151 4.199 4.350 0.000 0.000 0.228 469 E C -0.784 175.639 176.600 -0.295 0.000 1.213 469 E CA 0.971 57.123 56.400 -0.414 0.000 0.712 469 E CB -1.176 28.258 29.700 -0.444 0.000 1.202 469 E HN 0.476 nan 8.360 nan 0.000 0.376 470 S N -0.449 115.092 115.700 -0.265 0.000 2.600 470 S HA 0.656 5.126 4.470 0.000 0.000 0.300 470 S C -0.198 174.092 174.600 -0.517 0.000 1.087 470 S CA -0.799 57.146 58.200 -0.425 0.000 0.965 470 S CB 2.702 65.669 63.200 -0.390 0.000 1.089 470 S HN 0.094 nan 8.310 nan 0.000 0.496 471 V N 2.371 121.813 119.914 -0.786 0.000 2.487 471 V HA 0.538 4.659 4.120 0.000 0.000 0.298 471 V C -1.501 174.159 176.094 -0.724 0.000 1.028 471 V CA -0.549 61.390 62.300 -0.601 0.000 0.860 471 V CB 0.942 32.428 31.823 -0.562 0.000 0.991 471 V HN 0.780 nan 8.190 nan 0.000 0.427 472 F N 1.924 121.818 119.950 -0.094 0.000 2.449 472 F HA 0.626 5.153 4.527 0.000 0.000 0.342 472 F C 0.581 176.355 175.800 -0.044 0.000 1.127 472 F CA -0.433 57.533 58.000 -0.057 0.000 0.975 472 F CB 2.107 41.075 39.000 -0.054 0.000 1.146 472 F HN 0.332 nan 8.300 nan 0.000 0.444 473 T N 2.469 117.074 114.554 0.085 0.000 2.807 473 T HA 0.269 4.619 4.350 0.000 0.000 0.279 473 T C -0.380 174.340 174.700 0.034 0.000 0.993 473 T CA -0.878 61.253 62.100 0.051 0.000 0.970 473 T CB 1.005 69.894 68.868 0.036 0.000 0.950 473 T HN 0.609 nan 8.240 nan 0.000 0.441 474 N N 2.578 121.291 118.700 0.021 0.000 2.648 474 N HA -0.150 4.590 4.740 0.000 0.000 0.265 474 N C -0.896 174.605 175.510 -0.015 0.000 1.100 474 N CA 0.235 53.285 53.050 0.000 0.000 0.715 474 N CB -1.124 37.359 38.487 -0.006 0.000 0.881 474 N HN 0.502 nan 8.380 nan 0.000 0.548 475 I N 0.343 120.905 120.570 -0.013 0.000 2.412 475 I HA 0.628 4.799 4.170 0.000 0.000 0.296 475 I C 0.719 176.811 176.117 -0.041 0.000 0.987 475 I CA -0.984 60.291 61.300 -0.042 0.000 1.180 475 I CB 1.163 39.136 38.000 -0.044 0.000 1.340 475 I HN 0.422 nan 8.210 nan 0.000 0.455 476 A N 7.760 130.550 122.820 -0.050 0.000 2.340 476 A HA 0.716 5.036 4.320 0.000 0.000 0.297 476 A C -0.757 176.809 177.584 -0.031 0.000 1.195 476 A CA -0.435 51.582 52.037 -0.033 0.000 0.769 476 A CB 0.752 19.735 19.000 -0.027 0.000 1.163 476 A HN 0.471 nan 8.150 nan 0.000 0.472 477 I N 4.978 125.535 120.570 -0.022 0.000 2.388 477 I HA 0.283 4.453 4.170 0.000 0.000 0.281 477 I C -0.698 175.417 176.117 -0.003 0.000 1.046 477 I CA -0.389 60.905 61.300 -0.010 0.000 1.187 477 I CB 0.769 38.764 38.000 -0.009 0.000 1.351 477 I HN 0.400 nan 8.210 nan 0.000 0.472 478 I N 5.350 125.920 120.570 0.001 0.000 2.354 478 I HA 0.265 4.435 4.170 0.000 0.000 0.286 478 I C -0.180 175.941 176.117 0.008 0.000 1.007 478 I CA -0.375 60.927 61.300 0.003 0.000 1.167 478 I CB 0.824 38.825 38.000 0.002 0.000 1.320 478 I HN 0.460 nan 8.210 nan 0.000 0.458 479 D N 3.550 123.954 120.400 0.008 0.000 3.133 479 D HA -0.137 4.503 4.640 0.000 0.000 0.239 479 D C 0.407 176.711 176.300 0.007 0.000 1.136 479 D CA 0.868 54.873 54.000 0.008 0.000 0.898 479 D CB -0.484 40.324 40.800 0.014 0.000 0.959 479 D HN 0.790 nan 8.370 nan 0.000 0.415 480 T N -2.486 112.069 114.554 0.002 0.000 2.926 480 T HA 0.572 4.922 4.350 0.000 0.000 0.289 480 T C 0.603 175.289 174.700 -0.023 0.000 1.054 480 T CA -0.359 61.739 62.100 -0.004 0.000 1.015 480 T CB 2.121 70.997 68.868 0.014 0.000 1.167 480 T HN 0.114 nan 8.240 nan 0.000 0.526 481 N N -0.213 118.459 118.700 -0.047 0.000 2.735 481 N HA -0.209 4.531 4.740 0.000 0.000 0.248 481 N C 0.947 176.383 175.510 -0.123 0.000 1.083 481 N CA 1.377 54.378 53.050 -0.082 0.000 0.703 481 N CB -1.532 36.938 38.487 -0.029 0.000 1.005 481 N HN 0.994 nan 8.380 nan 0.000 0.550 482 T N -3.553 110.921 114.554 -0.135 0.000 2.962 482 T HA -0.093 4.257 4.350 0.000 0.000 0.270 482 T C 1.188 175.772 174.700 -0.194 0.000 1.088 482 T CA 1.208 63.237 62.100 -0.118 0.000 1.127 482 T CB -0.020 68.811 68.868 -0.061 0.000 0.883 482 T HN 0.401 nan 8.240 nan 0.000 0.493 483 K N 0.610 120.766 120.400 -0.407 0.000 2.440 483 K HA 0.193 4.514 4.320 0.000 0.000 0.206 483 K C -0.395 175.929 176.600 -0.459 0.000 1.025 483 K CA 0.014 55.958 56.287 -0.571 0.000 1.135 483 K CB 0.261 32.060 32.500 -1.167 0.000 0.856 483 K HN 0.264 nan 8.250 nan 0.000 0.502 484 D N 0.059 120.316 120.400 -0.237 0.000 2.737 484 D HA -0.207 4.433 4.640 0.000 0.000 0.233 484 D C 0.434 176.797 176.300 0.104 0.000 1.155 484 D CA 0.442 54.411 54.000 -0.052 0.000 0.667 484 D CB -0.606 40.192 40.800 -0.002 0.000 1.060 484 D HN 0.202 nan 8.370 nan 0.000 0.427 485 F N -0.090 119.830 119.950 -0.050 0.000 2.186 485 F HA 0.054 4.581 4.527 0.000 0.000 0.299 485 F C 1.870 177.616 175.800 -0.089 0.000 1.090 485 F CA 1.057 59.009 58.000 -0.080 0.000 1.307 485 F CB -0.414 38.520 39.000 -0.110 0.000 1.019 485 F HN 0.090 nan 8.300 nan 0.000 0.489 486 Q N -1.746 118.119 119.800 0.109 0.000 2.427 486 Q HA 0.663 5.003 4.340 0.000 0.000 0.232 486 Q C 1.008 177.019 176.000 0.019 0.000 1.018 486 Q CA 0.077 55.894 55.803 0.023 0.000 0.965 486 Q CB 1.110 29.852 28.738 0.006 0.000 1.232 486 Q HN 0.026 nan 8.270 nan 0.000 0.510 487 A N 0.165 122.986 122.820 0.003 0.000 2.195 487 A HA 0.177 4.497 4.320 0.000 0.000 0.210 487 A C -0.121 177.478 177.584 0.025 0.000 1.165 487 A CA 0.601 52.642 52.037 0.005 0.000 0.806 487 A CB -0.523 18.466 19.000 -0.018 0.000 0.847 487 A HN 0.674 nan 8.150 nan 0.000 0.482 488 N N -2.628 116.098 118.700 0.043 0.000 2.927 488 N HA 0.172 4.912 4.740 0.000 0.000 0.248 488 N C -0.368 175.181 175.510 0.064 0.000 1.443 488 N CA -0.682 52.403 53.050 0.058 0.000 0.870 488 N CB 0.546 39.087 38.487 0.090 0.000 1.444 488 N HN -0.019 nan 8.380 nan 0.000 0.519 489 Q N -0.056 119.774 119.800 0.051 0.000 2.096 489 Q HA 0.253 4.593 4.340 0.000 0.000 0.197 489 Q C 0.286 176.324 176.000 0.063 0.000 0.964 489 Q CA 0.957 56.786 55.803 0.044 0.000 0.838 489 Q CB 0.630 29.382 28.738 0.023 0.000 0.906 489 Q HN 0.567 nan 8.270 nan 0.000 0.444 490 I N -0.703 119.904 120.570 0.062 0.000 2.569 490 I HA 0.310 4.480 4.170 0.000 0.000 0.290 490 I C -1.960 174.207 176.117 0.083 0.000 1.088 490 I CA -1.130 60.201 61.300 0.052 0.000 1.047 490 I CB 1.804 39.789 38.000 -0.025 0.000 1.237 490 I HN -0.086 nan 8.210 nan 0.000 0.421 491 Y N 7.920 128.173 120.300 -0.078 0.000 2.376 491 Y HA 0.729 5.279 4.550 0.000 0.000 0.340 491 Y C -1.513 174.231 175.900 -0.261 0.000 0.965 491 Y CA -0.960 57.048 58.100 -0.154 0.000 1.078 491 Y CB 1.480 39.839 38.460 -0.168 0.000 1.193 491 Y HN 0.409 nan 8.280 nan 0.000 0.452 492 I N 5.808 125.828 120.570 -0.917 0.000 2.478 492 I HA 0.214 4.384 4.170 0.000 0.000 0.287 492 I C 0.499 176.037 176.117 -0.965 0.000 1.042 492 I CA -0.416 60.413 61.300 -0.786 0.000 1.067 492 I CB 2.361 40.107 38.000 -0.423 0.000 1.233 492 I HN 0.783 nan 8.210 nan 0.000 0.431 493 S N 4.005 119.185 115.700 -0.867 0.000 2.356 493 S HA 0.110 4.581 4.470 0.000 0.000 0.219 493 S C 1.123 175.601 174.600 -0.204 0.000 1.036 493 S CA 0.453 58.345 58.200 -0.514 0.000 0.965 493 S CB -0.241 62.802 63.200 -0.261 0.000 0.864 493 S HN 0.666 nan 8.310 nan 0.000 0.471 494 G N 0.785 109.528 108.800 -0.096 0.000 2.563 494 G HA2 0.556 4.516 3.960 0.000 0.000 0.283 494 G HA3 0.556 4.516 3.960 0.000 0.000 0.283 494 G C -0.119 174.862 174.900 0.135 0.000 1.309 494 G CA -0.465 44.690 45.100 0.091 0.000 1.022 494 G HN 0.762 nan 8.290 nan 0.000 0.501 495 A N -0.781 122.226 122.820 0.311 0.000 2.655 495 A HA 0.475 4.795 4.320 0.000 0.000 0.297 495 A C 0.228 177.794 177.584 -0.030 0.000 1.461 495 A CA -0.206 51.884 52.037 0.087 0.000 1.146 495 A CB -1.105 17.943 19.000 0.080 0.000 1.108 495 A HN 0.600 nan 8.150 nan 0.000 0.550 496 C N 1.850 121.146 119.300 -0.005 0.000 2.822 496 C HA 0.803 5.263 4.460 0.000 0.000 0.341 496 C C 0.069 175.062 174.990 0.005 0.000 1.301 496 C CA -0.991 58.032 59.018 0.009 0.000 1.706 496 C CB 1.710 29.541 27.740 0.152 0.000 2.178 496 C HN 0.794 nan 8.230 nan 0.000 0.481 497 R N 0.962 121.470 120.500 0.014 0.000 2.480 497 R HA 0.676 5.016 4.340 0.000 0.000 0.306 497 R C -1.690 174.660 176.300 0.083 0.000 0.958 497 R CA -0.375 55.728 56.100 0.004 0.000 0.861 497 R CB 1.579 31.842 30.300 -0.060 0.000 1.171 497 R HN 0.546 nan 8.270 nan 0.000 0.445 498 V N 3.380 123.335 119.914 0.067 0.000 2.444 498 V HA 0.329 4.449 4.120 0.000 0.000 0.294 498 V C -0.088 176.030 176.094 0.039 0.000 1.022 498 V CA -0.926 61.428 62.300 0.091 0.000 0.850 498 V CB 1.814 33.664 31.823 0.045 0.000 0.992 498 V HN 0.539 nan 8.190 nan 0.000 0.426 499 N N 3.830 122.556 118.700 0.043 0.000 2.626 499 N HA 0.547 5.287 4.740 0.000 0.000 0.242 499 N C -0.024 175.498 175.510 0.020 0.000 1.005 499 N CA 0.599 53.661 53.050 0.021 0.000 0.905 499 N CB 1.404 39.901 38.487 0.017 0.000 1.128 499 N HN 1.130 nan 8.380 nan 0.000 0.512 500 G N 2.080 110.886 108.800 0.010 0.000 3.251 500 G HA2 -0.074 3.886 3.960 0.000 0.000 0.680 500 G HA3 -0.074 3.886 3.960 0.000 0.000 0.680 500 G C -1.571 173.330 174.900 0.001 0.000 1.129 500 G CA -0.622 44.481 45.100 0.004 0.000 0.994 500 G HN 0.555 nan 8.290 nan 0.000 0.450 501 L N 3.139 124.357 121.223 -0.007 0.000 2.457 501 L HA 0.697 5.037 4.340 0.000 0.000 0.266 501 L C 0.186 177.047 176.870 -0.015 0.000 0.979 501 L CA -0.846 53.984 54.840 -0.016 0.000 0.857 501 L CB 1.173 43.218 42.059 -0.024 0.000 1.213 501 L HN 0.580 nan 8.230 nan 0.000 0.418 502 R N 5.814 126.305 120.500 -0.016 0.000 2.229 502 R HA 0.691 5.031 4.340 0.000 0.000 0.328 502 R C -1.205 175.089 176.300 -0.011 0.000 1.009 502 R CA -0.566 55.527 56.100 -0.011 0.000 0.864 502 R CB 1.101 31.395 30.300 -0.011 0.000 1.085 502 R HN 0.542 nan 8.270 nan 0.000 0.453 503 L N 3.730 124.949 121.223 -0.007 0.000 2.341 503 L HA 0.565 4.905 4.340 0.000 0.000 0.267 503 L C -0.513 176.358 176.870 0.002 0.000 1.009 503 L CA -1.222 53.616 54.840 -0.004 0.000 0.819 503 L CB 1.524 43.580 42.059 -0.004 0.000 1.323 503 L HN 0.409 nan 8.230 nan 0.000 0.425 504 I N 0.591 121.164 120.570 0.004 0.000 8.549 504 I HA -0.170 4.000 4.170 0.000 0.000 0.126 504 I C 0.574 176.695 176.117 0.006 0.000 1.858 504 I CA 0.822 62.126 61.300 0.007 0.000 2.038 504 I CB -1.625 36.382 38.000 0.011 0.000 3.851 504 I HN 0.926 nan 8.210 nan 0.000 0.169 505 G N 5.283 114.088 108.800 0.008 0.000 2.754 505 G HA2 0.504 4.464 3.960 0.000 0.000 0.210 505 G HA3 0.504 4.464 3.960 0.000 0.000 0.210 505 G C 0.949 175.854 174.900 0.009 0.000 2.092 505 G CA 0.532 45.636 45.100 0.007 0.000 0.766 505 G HN 0.659 nan 8.290 nan 0.000 0.745 506 I N 0.183 120.760 120.570 0.011 0.000 4.154 506 I HA 0.400 4.570 4.170 0.000 0.000 0.334 506 I C 0.680 176.805 176.117 0.014 0.000 1.371 506 I CA -0.241 61.066 61.300 0.012 0.000 1.110 506 I CB 0.121 38.128 38.000 0.011 0.000 1.085 506 I HN 0.061 nan 8.210 nan 0.000 0.398 514 L N 3.490 124.730 121.223 0.029 0.000 2.418 514 L HA 0.394 4.734 4.340 0.000 0.000 0.265 514 L C 1.580 178.469 176.870 0.032 0.000 1.143 514 L CA -0.349 54.511 54.840 0.033 0.000 0.809 514 L CB 0.903 42.986 42.059 0.041 0.000 1.124 514 L HN 0.732 nan 8.230 nan 0.000 0.456 515 T N 1.596 116.167 114.554 0.027 0.000 2.866 515 T HA 0.161 4.511 4.350 0.000 0.000 0.250 515 T C 0.427 175.141 174.700 0.023 0.000 1.033 515 T CA 0.806 62.919 62.100 0.022 0.000 1.145 515 T CB 0.204 69.082 68.868 0.016 0.000 0.866 515 T HN 0.416 nan 8.240 nan 0.000 0.434 516 I N 1.361 121.941 120.570 0.016 0.000 2.498 516 I HA 0.433 4.603 4.170 0.000 0.000 0.290 516 I C -1.999 174.128 176.117 0.017 0.000 1.032 516 I CA -0.833 60.472 61.300 0.008 0.000 1.073 516 I CB 2.059 40.044 38.000 -0.025 0.000 1.251 516 I HN -0.076 nan 8.210 nan 0.000 0.426 517 D N 6.757 127.185 120.400 0.047 0.000 2.420 517 D HA 0.590 5.230 4.640 0.000 0.000 0.255 517 D C -0.878 175.417 176.300 -0.008 0.000 1.185 517 D CA -0.138 53.905 54.000 0.072 0.000 0.904 517 D CB 1.660 42.568 40.800 0.181 0.000 1.102 517 D HN 0.586 nan 8.370 nan 0.000 0.534 518 A N 4.673 127.450 122.820 -0.073 0.000 3.317 518 A HA 0.459 4.779 4.320 0.000 0.000 0.307 518 A C -1.959 175.569 177.584 -0.092 0.000 1.003 518 A CA -1.024 50.922 52.037 -0.152 0.000 0.882 518 A CB 0.900 19.809 19.000 -0.152 0.000 1.136 518 A HN 0.320 nan 8.150 nan 0.000 0.488 519 P HA -0.169 nan 4.420 nan 0.000 0.217 519 P C 0.733 178.014 177.300 -0.032 0.000 1.148 519 P CA 1.458 64.540 63.100 -0.029 0.000 0.834 519 P CB 0.223 31.922 31.700 -0.002 0.000 0.783 520 N N -2.091 116.583 118.700 -0.043 0.000 2.187 520 N HA 0.109 4.849 4.740 0.000 0.000 0.212 520 N C -0.089 175.407 175.510 -0.023 0.000 1.152 520 N CA 0.225 53.263 53.050 -0.021 0.000 0.872 520 N CB 0.480 38.968 38.487 0.002 0.000 1.025 520 N HN 0.065 nan 8.380 nan 0.000 0.514 521 S N 0.020 115.694 115.700 -0.044 0.000 2.608 521 S HA 0.425 4.895 4.470 0.000 0.000 0.291 521 S C 0.188 174.767 174.600 -0.036 0.000 1.146 521 S CA -0.343 57.834 58.200 -0.038 0.000 1.043 521 S CB 2.147 65.318 63.200 -0.048 0.000 1.037 521 S HN -0.047 nan 8.310 nan 0.000 0.520 522 T N 2.387 116.924 114.554 -0.028 0.000 2.749 522 T HA 0.542 4.892 4.350 0.000 0.000 0.287 522 T C -0.456 174.230 174.700 -0.023 0.000 0.970 522 T CA -0.388 61.695 62.100 -0.028 0.000 0.980 522 T CB 0.677 69.530 68.868 -0.026 0.000 0.924 522 T HN 0.320 nan 8.240 nan 0.000 0.456 523 V N 2.490 122.387 119.914 -0.029 0.000 2.815 523 V HA 0.849 4.969 4.120 0.000 0.000 0.314 523 V C -0.048 176.033 176.094 -0.022 0.000 1.064 523 V CA -0.736 61.550 62.300 -0.024 0.000 0.952 523 V CB 2.161 33.962 31.823 -0.036 0.000 1.020 523 V HN 0.845 nan 8.190 nan 0.000 0.439 524 S N 1.258 116.949 115.700 -0.014 0.000 2.536 524 S HA 0.663 5.133 4.470 0.000 0.000 0.271 524 S C 0.124 174.719 174.600 -0.008 0.000 1.134 524 S CA 0.400 58.593 58.200 -0.012 0.000 0.897 524 S CB 1.511 64.705 63.200 -0.009 0.000 1.094 524 S HN 2.274 nan 8.310 nan 0.000 0.473 525 G N 3.328 112.123 108.800 -0.008 0.000 2.291 525 G HA2 -0.180 3.781 3.960 0.000 0.000 0.271 525 G HA3 -0.180 3.781 3.960 0.000 0.000 0.271 525 G C -0.183 174.713 174.900 -0.007 0.000 1.099 525 G CA 0.171 45.267 45.100 -0.006 0.000 0.919 525 G HN 0.772 nan 8.290 nan 0.000 0.496 526 I N 1.414 121.978 120.570 -0.009 0.000 2.474 526 I HA 0.460 4.630 4.170 0.000 0.000 0.287 526 I C 1.085 177.200 176.117 -0.004 0.000 1.048 526 I CA 0.417 61.712 61.300 -0.009 0.000 1.383 526 I CB 1.264 39.256 38.000 -0.013 0.000 1.412 526 I HN 0.384 nan 8.210 nan 0.000 0.531 527 T N 1.913 116.465 114.554 -0.003 0.000 2.893 527 T HA 0.879 5.229 4.350 0.000 0.000 0.291 527 T C -0.267 174.434 174.700 0.002 0.000 1.028 527 T CA -0.633 61.468 62.100 0.001 0.000 0.995 527 T CB 2.067 70.935 68.868 0.000 0.000 1.051 527 T HN 1.138 nan 8.240 nan 0.000 0.470 528 G N 1.668 110.472 108.800 0.007 0.000 2.362 528 G HA2 0.233 4.193 3.960 0.000 0.000 0.656 528 G HA3 0.233 4.193 3.960 0.000 0.000 0.656 528 G C -0.362 174.547 174.900 0.015 0.000 1.376 528 G CA -1.008 44.097 45.100 0.008 0.000 0.971 528 G HN 0.753 nan 8.290 nan 0.000 0.636 529 M N 1.424 121.034 119.600 0.017 0.000 3.759 529 M HA 0.214 4.694 4.480 0.000 0.000 0.190 529 M C 0.994 177.308 176.300 0.023 0.000 1.478 529 M CA -0.174 55.141 55.300 0.024 0.000 1.691 529 M CB -0.725 31.891 32.600 0.027 0.000 1.113 529 M HN 0.504 nan 8.290 nan 0.000 0.542 530 V N 1.416 121.343 119.914 0.021 0.000 2.732 530 V HA 0.153 4.273 4.120 0.000 0.000 0.297 530 V C 0.019 176.130 176.094 0.029 0.000 1.060 530 V CA -0.349 61.964 62.300 0.021 0.000 1.038 530 V CB 1.466 33.299 31.823 0.016 0.000 1.003 530 V HN 0.495 nan 8.190 nan 0.000 0.481 531 D N 6.448 126.867 120.400 0.031 0.000 2.313 531 D HA 0.344 4.984 4.640 0.000 0.000 0.239 531 D C -1.778 174.553 176.300 0.052 0.000 1.142 531 D CA -2.022 52.000 54.000 0.036 0.000 0.847 531 D CB 1.945 42.765 40.800 0.032 0.000 1.082 531 D HN 0.325 nan 8.370 nan 0.000 0.480 532 P HA -0.149 nan 4.420 nan 0.000 0.218 532 P C 1.188 178.614 177.300 0.210 0.000 1.146 532 P CA 1.059 64.238 63.100 0.132 0.000 0.813 532 P CB 0.127 31.900 31.700 0.122 0.000 0.778 533 S N -1.287 114.484 115.700 0.119 0.000 2.561 533 S HA 0.008 4.478 4.470 0.000 0.000 0.225 533 S C 1.474 176.132 174.600 0.097 0.000 0.977 533 S CA 0.256 58.522 58.200 0.110 0.000 0.926 533 S CB -0.647 62.578 63.200 0.041 0.000 0.769 533 S HN 0.135 nan 8.310 nan 0.000 0.533 534 R N 0.430 120.976 120.500 0.076 0.000 2.552 534 R HA 0.466 4.806 4.340 0.000 0.000 0.314 534 R C -0.641 175.681 176.300 0.037 0.000 1.041 534 R CA -0.037 56.093 56.100 0.050 0.000 1.076 534 R CB 0.157 30.479 30.300 0.037 0.000 1.290 534 R HN 0.445 nan 8.270 nan 0.000 0.563 535 I N 0.681 121.273 120.570 0.036 0.000 2.433 535 I HA 0.233 4.403 4.170 0.000 0.000 0.292 535 I C -0.652 175.431 176.117 -0.057 0.000 1.001 535 I CA -0.996 60.291 61.300 -0.021 0.000 1.119 535 I CB 1.840 39.804 38.000 -0.060 0.000 1.289 535 I HN -0.091 nan 8.210 nan 0.000 0.438 536 N N 6.372 125.043 118.700 -0.050 0.000 2.519 536 N HA 0.627 5.367 4.740 0.000 0.000 0.286 536 N C -1.275 174.199 175.510 -0.061 0.000 1.079 536 N CA -0.435 52.584 53.050 -0.051 0.000 0.878 536 N CB 1.606 40.092 38.487 -0.002 0.000 1.375 536 N HN 0.459 nan 8.380 nan 0.000 0.514 537 V N 0.245 120.108 119.914 -0.085 0.000 3.182 537 V HA 0.883 5.003 4.120 0.000 0.000 0.308 537 V C 0.770 176.826 176.094 -0.063 0.000 1.240 537 V CA -0.324 61.932 62.300 -0.074 0.000 1.063 537 V CB 1.090 32.865 31.823 -0.081 0.000 1.076 537 V HN 0.435 nan 8.190 nan 0.000 0.446 538 A N 0.541 123.331 122.820 -0.050 0.000 1.898 538 A HA 0.278 4.598 4.320 0.000 0.000 0.214 538 A C 0.896 178.457 177.584 -0.038 0.000 1.183 538 A CA 1.506 53.521 52.037 -0.036 0.000 0.622 538 A CB -0.578 18.406 19.000 -0.026 0.000 0.824 538 A HN 1.047 nan 8.150 nan 0.000 0.444 539 N N -1.622 117.051 118.700 -0.044 0.000 2.446 539 N HA 0.459 5.199 4.740 0.000 0.000 0.272 539 N C -2.426 173.056 175.510 -0.047 0.000 1.127 539 N CA -0.561 52.464 53.050 -0.041 0.000 0.896 539 N CB 1.428 39.898 38.487 -0.028 0.000 1.658 539 N HN 0.114 nan 8.380 nan 0.000 0.483 540 L N 2.772 123.966 121.223 -0.049 0.000 2.439 540 L HA 0.870 5.210 4.340 0.000 0.000 0.270 540 L C -1.484 175.367 176.870 -0.031 0.000 0.972 540 L CA -0.205 54.607 54.840 -0.047 0.000 0.836 540 L CB 1.397 43.415 42.059 -0.068 0.000 1.255 540 L HN 0.706 nan 8.230 nan 0.000 0.404 541 A N 3.623 126.429 122.820 -0.024 0.000 2.574 541 A HA 0.833 5.153 4.320 0.000 0.000 0.297 541 A C -1.495 176.080 177.584 -0.014 0.000 1.062 541 A CA -0.608 51.419 52.037 -0.017 0.000 0.686 541 A CB 1.566 20.556 19.000 -0.016 0.000 1.285 541 A HN 0.474 nan 8.150 nan 0.000 0.403 542 E N 1.962 122.155 120.200 -0.012 0.000 2.683 542 E HA 0.204 4.554 4.350 0.000 0.000 0.224 542 E C -0.224 176.371 176.600 -0.009 0.000 1.046 542 E CA -0.452 55.942 56.400 -0.010 0.000 0.811 542 E CB 0.922 30.616 29.700 -0.009 0.000 1.296 542 E HN 0.658 nan 8.360 nan 0.000 0.421 543 E N 0.604 120.798 120.200 -0.009 0.000 2.152 543 E HA -0.048 4.302 4.350 0.000 0.000 0.192 543 E C 1.151 177.747 176.600 -0.007 0.000 0.983 543 E CA 0.671 57.066 56.400 -0.008 0.000 0.818 543 E CB 0.281 29.976 29.700 -0.008 0.000 0.758 543 E HN 0.399 nan 8.360 nan 0.000 0.467 544 G N 1.215 110.012 108.800 -0.006 0.000 4.098 544 G HA2 0.378 4.338 3.960 0.000 0.000 0.300 544 G HA3 0.378 4.338 3.960 0.000 0.000 0.300 544 G C 0.229 175.126 174.900 -0.005 0.000 1.187 544 G CA -0.333 44.764 45.100 -0.005 0.000 0.964 544 G HN -0.047 nan 8.290 nan 0.000 0.559 545 L N 0.209 121.429 121.223 -0.005 0.000 2.421 545 L HA 0.624 4.964 4.340 0.000 0.000 0.263 545 L C 1.357 178.225 176.870 -0.004 0.000 1.122 545 L CA -0.727 54.110 54.840 -0.004 0.000 0.804 545 L CB 1.049 43.105 42.059 -0.005 0.000 1.150 545 L HN 0.204 nan 8.230 nan 0.000 0.457 546 G N 0.229 109.027 108.800 -0.003 0.000 2.630 546 G HA2 0.147 4.107 3.960 0.000 0.000 0.223 546 G HA3 0.147 4.107 3.960 0.000 0.000 0.223 546 G C -0.133 174.765 174.900 -0.004 0.000 1.434 546 G CA -0.740 44.358 45.100 -0.003 0.000 1.057 546 G HN 0.605 nan 8.290 nan 0.000 0.570 547 N N -0.037 118.661 118.700 -0.004 0.000 2.454 547 N HA 0.124 4.864 4.740 0.000 0.000 0.254 547 N C -0.286 175.221 175.510 -0.004 0.000 1.228 547 N CA 0.501 53.548 53.050 -0.005 0.000 0.900 547 N CB 1.123 39.608 38.487 -0.004 0.000 1.089 547 N HN 0.209 nan 8.380 nan 0.000 0.449 548 I N 1.107 121.673 120.570 -0.007 0.000 2.562 548 I HA 0.406 4.576 4.170 0.000 0.000 0.301 548 I C 0.447 176.558 176.117 -0.010 0.000 1.003 548 I CA -0.760 60.535 61.300 -0.008 0.000 1.127 548 I CB 2.002 39.995 38.000 -0.011 0.000 1.304 548 I HN 0.230 nan 8.210 nan 0.000 0.446 549 R N 4.003 124.499 120.500 -0.006 0.000 2.514 549 R HA 0.691 5.031 4.340 0.000 0.000 0.296 549 R C -1.421 174.876 176.300 -0.006 0.000 1.012 549 R CA -0.548 55.546 56.100 -0.009 0.000 0.897 549 R CB 1.777 32.073 30.300 -0.005 0.000 1.184 549 R HN 0.769 nan 8.270 nan 0.000 0.440 550 A N 4.806 127.614 122.820 -0.019 0.000 2.279 550 A HA 0.344 4.664 4.320 0.000 0.000 0.306 550 A C -0.694 176.875 177.584 -0.025 0.000 1.300 550 A CA -0.669 51.358 52.037 -0.016 0.000 0.925 550 A CB 0.345 19.323 19.000 -0.036 0.000 1.152 550 A HN 0.792 nan 8.150 nan 0.000 0.544 551 N N 2.005 120.707 118.700 0.004 0.000 2.437 551 N HA 0.207 4.947 4.740 0.000 0.000 0.259 551 N C -0.835 174.648 175.510 -0.045 0.000 0.983 551 N CA 0.020 53.037 53.050 -0.055 0.000 0.937 551 N CB 1.754 40.258 38.487 0.029 0.000 1.122 551 N HN 0.511 nan 8.380 nan 0.000 0.499 552 S N 2.830 118.438 115.700 -0.153 0.000 2.442 552 S HA 0.569 5.039 4.470 0.000 0.000 0.297 552 S C -0.929 173.550 174.600 -0.201 0.000 1.131 552 S CA -0.518 57.667 58.200 -0.025 0.000 1.092 552 S CB 0.072 63.299 63.200 0.044 0.000 0.998 552 S HN 0.303 nan 8.310 nan 0.000 0.478 553 F N 2.236 122.234 119.950 0.080 0.000 2.508 553 F HA 0.609 5.136 4.527 0.000 0.000 0.325 553 F C 1.364 177.069 175.800 -0.159 0.000 1.090 553 F CA -0.053 57.938 58.000 -0.015 0.000 0.945 553 F CB 1.956 40.938 39.000 -0.030 0.000 1.156 553 F HN 0.813 nan 8.300 nan 0.000 0.463 554 G N 1.228 110.023 108.800 -0.008 0.000 2.168 554 G HA2 -0.306 3.654 3.960 0.000 0.000 0.263 554 G HA3 -0.306 3.654 3.960 0.000 0.000 0.263 554 G C -0.701 173.963 174.900 -0.394 0.000 0.977 554 G CA 0.105 45.057 45.100 -0.247 0.000 0.659 554 G HN 0.536 nan 8.290 nan 0.000 0.533 555 Y N -1.149 119.180 120.300 0.047 0.000 2.605 555 Y HA 0.538 5.088 4.550 0.000 0.000 0.343 555 Y C 0.638 176.544 175.900 0.011 0.000 1.036 555 Y CA -1.380 56.739 58.100 0.032 0.000 1.065 555 Y CB 1.061 39.543 38.460 0.038 0.000 1.288 555 Y HN -0.048 nan 8.280 nan 0.000 0.481 556 D N 0.493 121.022 120.400 0.215 0.000 2.328 556 D HA 0.079 4.719 4.640 0.000 0.000 0.226 556 D C -0.381 175.969 176.300 0.083 0.000 1.066 556 D CA 0.541 54.610 54.000 0.115 0.000 0.861 556 D CB 0.308 41.170 40.800 0.103 0.000 0.912 556 D HN 0.459 nan 8.370 nan 0.000 0.521 557 S N -1.013 114.735 115.700 0.080 0.000 2.588 557 S HA 0.711 5.181 4.470 0.000 0.000 0.269 557 S C -1.010 173.573 174.600 -0.029 0.000 1.157 557 S CA -1.036 57.137 58.200 -0.044 0.000 0.824 557 S CB 2.471 65.609 63.200 -0.105 0.000 1.126 557 S HN 0.013 nan 8.310 nan 0.000 0.464 558 A N 0.398 123.164 122.820 -0.089 0.000 2.356 558 A HA 1.045 5.366 4.320 0.000 0.000 0.323 558 A C -0.201 177.335 177.584 -0.080 0.000 1.119 558 A CA -0.561 51.438 52.037 -0.063 0.000 0.790 558 A CB 1.317 20.270 19.000 -0.080 0.000 1.273 558 A HN 2.152 nan 8.150 nan 0.000 0.452 559 A N 0.557 123.313 122.820 -0.108 0.000 2.572 559 A HA 0.755 5.075 4.320 0.000 0.000 0.295 559 A C -1.345 176.103 177.584 -0.227 0.000 1.072 559 A CA -0.316 51.574 52.037 -0.244 0.000 0.691 559 A CB 0.994 19.803 19.000 -0.318 0.000 1.291 559 A HN 0.794 nan 8.150 nan 0.000 0.404 560 I N 1.888 122.280 120.570 -0.297 0.000 2.493 560 I HA 0.270 4.440 4.170 0.000 0.000 0.279 560 I C -0.414 175.555 176.117 -0.246 0.000 1.045 560 I CA -0.258 60.921 61.300 -0.201 0.000 1.106 560 I CB 1.793 39.706 38.000 -0.146 0.000 1.216 560 I HN 0.596 nan 8.210 nan 0.000 0.459 561 K N 6.101 126.381 120.400 -0.200 0.000 2.118 561 K HA 0.748 5.068 4.320 0.000 0.000 0.254 561 K C -1.166 175.370 176.600 -0.105 0.000 0.961 561 K CA -0.836 55.342 56.287 -0.181 0.000 0.876 561 K CB 2.138 34.544 32.500 -0.158 0.000 1.077 561 K HN 0.297 nan 8.250 nan 0.000 0.440 562 L N 1.890 123.059 121.223 -0.090 0.000 2.333 562 L HA 0.492 4.832 4.340 0.000 0.000 0.280 562 L C -0.372 176.471 176.870 -0.045 0.000 1.004 562 L CA -0.403 54.405 54.840 -0.053 0.000 0.820 562 L CB 1.655 43.684 42.059 -0.049 0.000 1.247 562 L HN 0.479 nan 8.230 nan 0.000 0.416 563 R N 3.769 124.256 120.500 -0.021 0.000 2.483 563 R HA 0.611 4.951 4.340 0.000 0.000 0.303 563 R C -1.377 174.927 176.300 0.007 0.000 0.987 563 R CA -0.489 55.580 56.100 -0.051 0.000 0.881 563 R CB 1.086 31.324 30.300 -0.103 0.000 1.177 563 R HN 0.632 nan 8.270 nan 0.000 0.451 564 I N 4.885 125.441 120.570 -0.022 0.000 2.291 564 I HA 0.153 4.323 4.170 0.000 0.000 0.290 564 I C 0.542 176.666 176.117 0.012 0.000 1.050 564 I CA -0.583 60.736 61.300 0.032 0.000 1.245 564 I CB 1.247 39.252 38.000 0.008 0.000 1.405 564 I HN 0.724 nan 8.210 nan 0.000 0.478 565 H N 3.875 122.940 119.070 -0.009 0.000 2.521 565 H HA -0.089 4.467 4.556 0.000 0.000 0.286 565 H C 2.016 177.342 175.328 -0.004 0.000 1.034 565 H CA 1.093 57.138 56.048 -0.006 0.000 1.278 565 H CB 0.066 29.825 29.762 -0.005 0.000 1.386 565 H HN 0.500 nan 8.280 nan 0.000 0.567 566 K N 0.221 120.676 120.400 0.092 0.000 2.103 566 K HA -0.091 4.229 4.320 0.000 0.000 0.204 566 K C 1.829 178.441 176.600 0.020 0.000 1.052 566 K CA 0.696 57.013 56.287 0.049 0.000 0.945 566 K CB -0.006 32.516 32.500 0.037 0.000 0.722 566 K HN 0.200 nan 8.250 nan 0.000 0.443 567 L N -0.224 121.001 121.223 0.003 0.000 2.068 567 L HA 0.070 4.410 4.340 0.000 0.000 0.204 567 L C 0.297 177.150 176.870 -0.029 0.000 1.076 567 L CA 1.175 56.006 54.840 -0.014 0.000 0.753 567 L CB 0.334 42.379 42.059 -0.023 0.000 0.910 567 L HN 0.095 nan 8.230 nan 0.000 0.439 568 S N -2.075 113.590 115.700 -0.058 0.000 2.560 568 S HA 0.290 4.760 4.470 0.000 0.000 0.283 568 S C 0.006 174.495 174.600 -0.186 0.000 1.141 568 S CA -0.733 57.417 58.200 -0.084 0.000 0.902 568 S CB 0.984 64.139 63.200 -0.075 0.000 1.104 568 S HN 0.225 nan 8.310 nan 0.000 0.454 569 K N 1.498 121.808 120.400 -0.151 0.000 2.356 569 K HA 0.071 4.392 4.320 0.000 0.000 0.195 569 K C 1.478 177.960 176.600 -0.196 0.000 1.037 569 K CA 1.140 57.286 56.287 -0.236 0.000 1.014 569 K CB 0.098 32.613 32.500 0.025 0.000 0.815 569 K HN 0.788 nan 8.250 nan 0.000 0.507 570 T N -1.696 112.787 114.554 -0.118 0.000 3.014 570 T HA 0.247 4.597 4.350 0.000 0.000 0.250 570 T C 0.609 175.263 174.700 -0.076 0.000 1.060 570 T CA -0.208 61.848 62.100 -0.074 0.000 1.040 570 T CB 0.101 68.948 68.868 -0.035 0.000 0.971 570 T HN -0.108 nan 8.240 nan 0.000 0.497 571 L N 1.995 123.161 121.223 -0.094 0.000 2.346 571 L HA 0.536 4.876 4.340 0.000 0.000 0.276 571 L C -0.820 175.997 176.870 -0.088 0.000 1.006 571 L CA -1.166 53.631 54.840 -0.071 0.000 0.817 571 L CB 1.823 43.852 42.059 -0.050 0.000 1.272 571 L HN 0.048 nan 8.230 nan 0.000 0.421 572 D N 0.887 121.248 120.400 -0.064 0.000 2.350 572 D HA 0.057 4.697 4.640 0.000 0.000 0.249 572 D C 0.899 177.168 176.300 -0.052 0.000 1.119 572 D CA 0.116 54.076 54.000 -0.066 0.000 0.886 572 D CB 1.899 42.665 40.800 -0.056 0.000 1.195 572 D HN 0.646 nan 8.370 nan 0.000 0.437 573 S N 1.212 116.880 115.700 -0.055 0.000 2.470 573 S HA 0.174 4.644 4.470 0.000 0.000 0.225 573 S C 0.924 175.504 174.600 -0.034 0.000 1.006 573 S CA 0.143 58.317 58.200 -0.042 0.000 0.934 573 S CB 0.503 63.679 63.200 -0.040 0.000 0.778 573 S HN 0.596 nan 8.310 nan 0.000 0.517 574 G N -0.538 108.236 108.800 -0.043 0.000 2.608 574 G HA2 0.715 4.675 3.960 0.000 0.000 0.291 574 G HA3 0.715 4.675 3.960 0.000 0.000 0.291 574 G C -1.665 173.183 174.900 -0.087 0.000 1.425 574 G CA -0.362 44.712 45.100 -0.043 0.000 0.787 574 G HN 0.891 nan 8.290 nan 0.000 0.484 575 A N -0.971 121.786 122.820 -0.105 0.000 2.608 575 A HA 0.740 5.060 4.320 0.000 0.000 0.292 575 A C -2.191 175.259 177.584 -0.223 0.000 1.066 575 A CA -0.551 51.329 52.037 -0.261 0.000 0.676 575 A CB 1.831 20.513 19.000 -0.531 0.000 1.277 575 A HN 1.987 nan 8.150 nan 0.000 0.413 576 L N 1.359 122.395 121.223 -0.312 0.000 2.342 576 L HA 0.796 5.136 4.340 0.000 0.000 0.276 576 L C -1.732 174.972 176.870 -0.275 0.000 0.997 576 L CA -0.324 54.409 54.840 -0.178 0.000 0.838 576 L CB 0.394 42.381 42.059 -0.120 0.000 1.224 576 L HN 0.643 nan 8.230 nan 0.000 0.416 577 Y N 2.034 122.250 120.300 -0.140 0.000 2.631 577 Y HA 0.763 5.313 4.550 0.000 0.000 0.328 577 Y C 0.316 175.991 175.900 -0.375 0.000 1.118 577 Y CA -0.620 57.291 58.100 -0.315 0.000 1.206 577 Y CB 2.212 40.379 38.460 -0.488 0.000 1.337 577 Y HN 0.547 nan 8.280 nan 0.000 0.515 578 S N 0.062 115.556 115.700 -0.343 0.000 2.736 578 S HA 0.496 4.966 4.470 0.000 0.000 0.285 578 S C -1.900 172.378 174.600 -0.536 0.000 1.163 578 S CA -0.546 57.454 58.200 -0.334 0.000 1.025 578 S CB -0.069 63.029 63.200 -0.170 0.000 1.030 578 S HN 0.690 nan 8.310 nan 0.000 0.486 579 H N 2.557 121.370 119.070 -0.430 0.000 2.569 579 H HA 0.532 5.088 4.556 0.000 0.000 0.357 579 H C -0.004 175.183 175.328 -0.235 0.000 1.153 579 H CA -0.774 55.016 56.048 -0.429 0.000 1.193 579 H CB 1.204 30.480 29.762 -0.810 0.000 1.602 579 H HN 0.499 nan 8.280 nan 0.000 0.523 580 I N 1.900 122.494 120.570 0.040 0.000 2.692 580 I HA -0.038 4.132 4.170 0.000 0.000 0.284 580 I C 0.022 176.211 176.117 0.120 0.000 1.159 580 I CA 0.558 61.893 61.300 0.059 0.000 1.423 580 I CB 0.284 38.310 38.000 0.044 0.000 1.380 580 I HN 0.606 nan 8.210 nan 0.000 0.580 581 N N 4.231 122.992 118.700 0.102 0.000 2.469 581 N HA 0.450 5.190 4.740 0.000 0.000 0.253 581 N C 0.462 175.989 175.510 0.029 0.000 0.970 581 N CA 0.297 53.395 53.050 0.079 0.000 0.940 581 N CB 1.521 40.043 38.487 0.058 0.000 1.128 581 N HN 0.939 nan 8.380 nan 0.000 0.503 582 G N 1.748 110.557 108.800 0.014 0.000 2.833 582 G HA2 -0.153 3.807 3.960 0.000 0.000 0.260 582 G HA3 -0.153 3.807 3.960 0.000 0.000 0.260 582 G C 0.080 174.988 174.900 0.015 0.000 1.412 582 G CA -0.262 44.841 45.100 0.005 0.000 0.986 582 G HN 0.847 nan 8.290 nan 0.000 0.556 583 G N -0.801 108.007 108.800 0.013 0.000 2.921 583 G HA2 0.821 4.782 3.960 0.000 0.000 0.291 583 G HA3 0.821 4.782 3.960 0.000 0.000 0.291 583 G C 0.107 175.014 174.900 0.013 0.000 1.370 583 G CA 0.779 45.888 45.100 0.015 0.000 0.847 583 G HN 2.084 nan 8.290 nan 0.000 0.532 584 A N -1.340 121.487 122.820 0.011 0.000 2.520 584 A HA 0.501 4.821 4.320 0.000 0.000 0.235 584 A C 1.651 179.237 177.584 0.005 0.000 1.065 584 A CA 1.562 53.603 52.037 0.007 0.000 0.764 584 A CB -0.466 18.538 19.000 0.006 0.000 1.002 584 A HN 2.709 nan 8.150 nan 0.000 0.502 585 G N 0.843 109.644 108.800 0.001 0.000 2.155 585 G HA2 -0.284 3.676 3.960 0.000 0.000 0.257 585 G HA3 -0.284 3.676 3.960 0.000 0.000 0.257 585 G C 1.126 176.028 174.900 0.003 0.000 0.983 585 G CA 1.409 46.510 45.100 0.001 0.000 0.676 585 G HN 2.064 nan 8.290 nan 0.000 0.528 586 S N -0.717 114.986 115.700 0.004 0.000 2.428 586 S HA 0.323 4.793 4.470 0.000 0.000 0.230 586 S C 2.406 177.009 174.600 0.006 0.000 1.014 586 S CA 1.415 59.618 58.200 0.005 0.000 0.957 586 S CB -0.197 63.008 63.200 0.009 0.000 0.784 586 S HN 2.354 nan 8.310 nan 0.000 0.499 587 G N 0.419 109.221 108.800 0.005 0.000 2.153 587 G HA2 -0.225 3.736 3.960 0.000 0.000 0.252 587 G HA3 -0.225 3.736 3.960 0.000 0.000 0.252 587 G C -0.006 174.900 174.900 0.010 0.000 0.994 587 G CA 0.431 45.534 45.100 0.004 0.000 0.698 587 G HN 1.185 nan 8.290 nan 0.000 0.521 588 S N -0.965 114.744 115.700 0.015 0.000 2.541 588 S HA 0.977 5.447 4.470 0.000 0.000 0.280 588 S C -0.213 174.414 174.600 0.044 0.000 1.112 588 S CA 0.748 58.965 58.200 0.028 0.000 0.925 588 S CB 1.849 65.064 63.200 0.024 0.000 1.067 588 S HN 2.015 nan 8.310 nan 0.000 0.479 589 A N 2.454 125.314 122.820 0.066 0.000 2.609 589 A HA 0.785 5.105 4.320 0.000 0.000 0.291 589 A C -1.894 175.794 177.584 0.173 0.000 1.096 589 A CA -0.754 51.336 52.037 0.088 0.000 0.684 589 A CB 1.011 20.019 19.000 0.014 0.000 1.282 589 A HN 1.538 nan 8.150 nan 0.000 0.412 590 Y N -0.726 119.619 120.300 0.075 0.000 2.409 590 Y HA 0.800 5.350 4.550 0.000 0.000 0.343 590 Y C -0.261 175.717 175.900 0.129 0.000 0.973 590 Y CA -0.728 57.433 58.100 0.102 0.000 1.064 590 Y CB 1.568 40.107 38.460 0.132 0.000 1.207 590 Y HN 0.463 nan 8.280 nan 0.000 0.452 591 T N 5.244 119.929 114.554 0.217 0.000 2.837 591 T HA 0.408 4.758 4.350 0.000 0.000 0.285 591 T C -0.886 173.950 174.700 0.226 0.000 0.984 591 T CA -0.696 61.473 62.100 0.115 0.000 1.049 591 T CB 0.938 69.851 68.868 0.075 0.000 0.947 591 T HN 0.798 nan 8.240 nan 0.000 0.472 592 Q N 2.287 122.208 119.800 0.202 0.000 2.331 592 Q HA 0.683 5.023 4.340 0.000 0.000 0.272 592 Q C -1.893 174.226 176.000 0.197 0.000 1.062 592 Q CA -1.083 54.871 55.803 0.252 0.000 0.806 592 Q CB 1.499 30.458 28.738 0.368 0.000 1.312 592 Q HN 0.414 nan 8.270 nan 0.000 0.431 593 L N 3.057 124.359 121.223 0.132 0.000 2.296 593 L HA 0.653 4.993 4.340 0.000 0.000 0.286 593 L C -0.592 176.328 176.870 0.082 0.000 1.023 593 L CA 0.285 55.171 54.840 0.078 0.000 0.812 593 L CB 1.893 43.975 42.059 0.040 0.000 1.223 593 L HN 0.981 nan 8.230 nan 0.000 0.421 594 T N 1.978 116.579 114.554 0.078 0.000 2.910 594 T HA 0.987 5.338 4.350 0.000 0.000 0.287 594 T C -0.679 174.035 174.700 0.023 0.000 1.050 594 T CA -0.350 61.792 62.100 0.071 0.000 1.011 594 T CB 1.885 70.840 68.868 0.146 0.000 1.195 594 T HN 0.920 nan 8.240 nan 0.000 0.540 595 A N 0.920 123.747 122.820 0.011 0.000 2.547 595 A HA 0.700 5.020 4.320 0.000 0.000 0.297 595 A C -0.859 176.717 177.584 -0.014 0.000 1.056 595 A CA -0.938 51.093 52.037 -0.011 0.000 0.688 595 A CB 1.166 20.150 19.000 -0.027 0.000 1.282 595 A HN 1.137 nan 8.150 nan 0.000 0.400 596 I N 1.239 121.798 120.570 -0.019 0.000 2.581 596 I HA 0.594 4.765 4.170 0.000 0.000 0.288 596 I C 0.069 176.166 176.117 -0.032 0.000 1.047 596 I CA 0.241 61.528 61.300 -0.021 0.000 1.374 596 I CB 1.291 39.277 38.000 -0.023 0.000 1.423 596 I HN 0.626 nan 8.210 nan 0.000 0.549 597 S N 3.943 119.623 115.700 -0.032 0.000 2.543 597 S HA 0.559 5.029 4.470 0.000 0.000 0.271 597 S C 0.003 174.584 174.600 -0.031 0.000 1.148 597 S CA 0.154 58.331 58.200 -0.038 0.000 0.914 597 S CB 1.329 64.499 63.200 -0.050 0.000 1.096 597 S HN 1.275 nan 8.310 nan 0.000 0.471 598 G N 2.449 111.233 108.800 -0.027 0.000 2.249 598 G HA2 -0.239 3.721 3.960 0.000 0.000 0.273 598 G HA3 -0.239 3.721 3.960 0.000 0.000 0.273 598 G C 0.531 175.420 174.900 -0.019 0.000 1.036 598 G CA 0.775 45.862 45.100 -0.021 0.000 0.824 598 G HN 1.777 nan 8.290 nan 0.000 0.504 599 S N -2.496 113.192 115.700 -0.020 0.000 3.380 599 S HA -0.230 4.240 4.470 0.000 0.000 0.300 599 S C 0.851 175.440 174.600 -0.018 0.000 1.255 599 S CA 1.628 59.816 58.200 -0.019 0.000 0.963 599 S CB -1.326 61.864 63.200 -0.016 0.000 1.106 599 S HN 1.531 nan 8.310 nan 0.000 0.629 600 T N 3.550 118.092 114.554 -0.019 0.000 2.801 600 T HA 0.419 4.769 4.350 0.000 0.000 0.306 600 T C -2.201 172.491 174.700 -0.013 0.000 1.020 600 T CA -1.216 60.874 62.100 -0.017 0.000 0.948 600 T CB 1.467 70.323 68.868 -0.020 0.000 0.962 600 T HN 0.063 nan 8.240 nan 0.000 0.465 601 P HA 0.106 nan 4.420 nan 0.000 0.267 601 P C -0.102 177.211 177.300 0.022 0.000 1.200 601 P CA 0.194 63.298 63.100 0.007 0.000 0.772 601 P CB 0.466 32.174 31.700 0.013 0.000 0.855 602 D N 0.041 120.465 120.400 0.039 0.000 3.059 602 D HA -0.221 4.419 4.640 0.000 0.000 0.220 602 D C 1.337 177.644 176.300 0.011 0.000 1.169 602 D CA 1.428 55.463 54.000 0.058 0.000 0.902 602 D CB -1.742 39.116 40.800 0.097 0.000 1.116 602 D HN 0.512 nan 8.370 nan 0.000 0.417 603 A N -0.449 122.365 122.820 -0.010 0.000 1.908 603 A HA 0.016 4.337 4.320 0.000 0.000 0.218 603 A C 1.229 178.784 177.584 -0.048 0.000 1.181 603 A CA 1.575 53.592 52.037 -0.034 0.000 0.627 603 A CB 0.285 19.263 19.000 -0.038 0.000 0.818 603 A HN 0.241 nan 8.150 nan 0.000 0.445 604 V N 0.132 120.022 119.914 -0.041 0.000 2.555 604 V HA 0.623 4.743 4.120 0.000 0.000 0.302 604 V C -0.310 175.769 176.094 -0.026 0.000 1.038 604 V CA 0.020 62.288 62.300 -0.054 0.000 0.887 604 V CB 1.422 33.207 31.823 -0.063 0.000 0.991 604 V HN 0.624 nan 8.190 nan 0.000 0.434 605 S N 3.987 119.669 115.700 -0.030 0.000 2.565 605 S HA 0.779 5.249 4.470 0.000 0.000 0.269 605 S C -1.323 173.278 174.600 0.001 0.000 1.153 605 S CA -0.780 57.424 58.200 0.007 0.000 0.835 605 S CB 1.851 65.080 63.200 0.047 0.000 1.122 605 S HN 0.799 nan 8.310 nan 0.000 0.462 606 L N 1.110 122.352 121.223 0.031 0.000 2.329 606 L HA 0.834 5.174 4.340 0.000 0.000 0.279 606 L C -1.433 175.483 176.870 0.077 0.000 1.014 606 L CA -0.469 54.391 54.840 0.033 0.000 0.814 606 L CB 1.398 43.475 42.059 0.029 0.000 1.257 606 L HN 0.795 nan 8.230 nan 0.000 0.424 607 K N 3.474 123.918 120.400 0.073 0.000 2.328 607 K HA 0.731 5.051 4.320 0.000 0.000 0.246 607 K C -1.483 175.194 176.600 0.128 0.000 0.955 607 K CA -0.580 55.794 56.287 0.145 0.000 0.817 607 K CB 2.423 34.989 32.500 0.110 0.000 1.208 607 K HN 0.295 nan 8.250 nan 0.000 0.432 608 V N 2.614 122.638 119.914 0.183 0.000 2.482 608 V HA 0.381 4.502 4.120 0.000 0.000 0.295 608 V C 0.202 176.403 176.094 0.179 0.000 1.026 608 V CA -0.814 61.569 62.300 0.140 0.000 0.856 608 V CB 0.969 32.858 31.823 0.109 0.000 1.001 608 V HN 0.954 nan 8.190 nan 0.000 0.424 609 N N 2.690 121.467 118.700 0.129 0.000 2.869 609 N HA -0.189 4.551 4.740 0.000 0.000 0.249 609 N C 0.319 175.890 175.510 0.101 0.000 1.104 609 N CA 0.216 53.334 53.050 0.113 0.000 0.760 609 N CB -0.559 37.998 38.487 0.117 0.000 1.108 609 N HN 0.974 nan 8.380 nan 0.000 0.555 610 H N 2.045 121.065 119.070 -0.084 0.000 3.004 610 H HA -0.005 4.551 4.556 0.000 0.000 0.316 610 H C 0.518 175.728 175.328 -0.197 0.000 1.014 610 H CA 1.467 57.287 56.048 -0.380 0.000 1.454 610 H CB 0.490 29.927 29.762 -0.541 0.000 1.472 610 H HN 0.197 nan 8.280 nan 0.000 0.571 611 K N 3.575 123.563 120.400 -0.687 0.000 3.069 611 K HA -0.264 4.056 4.320 0.000 0.000 0.267 611 K C 0.164 176.670 176.600 -0.156 0.000 1.082 611 K CA 1.076 57.118 56.287 -0.408 0.000 0.782 611 K CB -0.981 31.268 32.500 -0.419 0.000 1.230 611 K HN 0.919 nan 8.250 nan 0.000 0.488 612 D N -1.304 119.047 120.400 -0.082 0.000 2.955 612 D HA -0.244 4.397 4.640 0.000 0.000 0.226 612 D C 1.159 177.450 176.300 -0.014 0.000 1.178 612 D CA 1.426 55.414 54.000 -0.021 0.000 0.808 612 D CB -1.280 39.510 40.800 -0.017 0.000 1.099 612 D HN 0.616 nan 8.370 nan 0.000 0.421 613 C N -1.103 118.186 119.300 -0.018 0.000 2.437 613 C HA 0.198 4.658 4.460 0.000 0.000 0.283 613 C C 1.675 176.675 174.990 0.016 0.000 1.424 613 C CA 0.789 59.807 59.018 0.000 0.000 1.782 613 C CB -0.760 26.986 27.740 0.010 0.000 1.833 613 C HN 0.535 nan 8.230 nan 0.000 0.532 614 R N 0.130 120.645 120.500 0.026 0.000 3.776 614 R HA -0.120 4.220 4.340 0.000 0.000 0.312 614 R C 0.473 176.795 176.300 0.037 0.000 1.181 614 R CA 0.558 56.678 56.100 0.033 0.000 0.836 614 R CB -2.037 28.278 30.300 0.025 0.000 1.324 614 R HN 0.854 nan 8.270 nan 0.000 0.501 615 G N -1.040 107.785 108.800 0.042 0.000 2.658 615 G HA2 0.787 4.748 3.960 0.000 0.000 0.292 615 G HA3 0.787 4.748 3.960 0.000 0.000 0.292 615 G C -1.241 173.690 174.900 0.051 0.000 1.320 615 G CA -0.063 45.063 45.100 0.043 0.000 0.933 615 G HN 0.243 nan 8.290 nan 0.000 0.476 616 A N -0.009 122.841 122.820 0.051 0.000 2.276 616 A HA 0.670 4.990 4.320 0.000 0.000 0.316 616 A C -0.043 177.568 177.584 0.045 0.000 1.229 616 A CA -0.498 51.571 52.037 0.053 0.000 0.851 616 A CB 0.864 19.897 19.000 0.054 0.000 1.165 616 A HN 0.631 nan 8.150 nan 0.000 0.513 617 E N 3.032 123.250 120.200 0.030 0.000 2.130 617 E HA 0.493 4.844 4.350 0.000 0.000 0.284 617 E C -1.164 175.446 176.600 0.016 0.000 1.018 617 E CA -0.276 56.128 56.400 0.007 0.000 0.817 617 E CB 0.478 30.145 29.700 -0.054 0.000 1.078 617 E HN 0.599 nan 8.360 nan 0.000 0.396 618 I N 6.781 127.377 120.570 0.044 0.000 2.404 618 I HA 0.345 4.515 4.170 0.000 0.000 0.293 618 I C -1.927 174.226 176.117 0.061 0.000 0.992 618 I CA -2.237 59.098 61.300 0.057 0.000 1.149 618 I CB 1.623 39.679 38.000 0.095 0.000 1.315 618 I HN 0.473 nan 8.210 nan 0.000 0.446 619 P HA 0.313 nan 4.420 nan 0.000 0.285 619 P C -1.188 176.130 177.300 0.030 0.000 1.259 619 P CA -0.172 62.879 63.100 -0.082 0.000 0.794 619 P CB 0.728 32.366 31.700 -0.102 0.000 0.940 620 F N 0.599 120.567 119.950 0.030 0.000 2.561 620 F HA 0.540 5.067 4.527 0.000 0.000 0.321 620 F C -0.437 175.430 175.800 0.112 0.000 1.065 620 F CA -1.862 56.195 58.000 0.094 0.000 0.934 620 F CB 0.415 39.497 39.000 0.137 0.000 1.215 620 F HN -0.014 nan 8.300 nan 0.000 0.471 621 V N 3.110 123.295 119.914 0.450 0.000 2.509 621 V HA 0.050 4.170 4.120 0.000 0.000 0.297 621 V C -1.543 174.860 176.094 0.515 0.000 1.014 621 V CA -0.700 61.819 62.300 0.365 0.000 1.127 621 V CB 0.518 32.589 31.823 0.414 0.000 0.925 621 V HN 0.715 nan 8.190 nan 0.000 0.480 622 P HA -0.017 nan 4.420 nan 0.000 0.231 622 P C 0.140 177.718 177.300 0.464 0.000 1.158 622 P CA 1.091 64.380 63.100 0.314 0.000 0.763 622 P CB 0.299 32.061 31.700 0.104 0.000 0.805 623 D N -2.187 118.472 120.400 0.431 0.000 2.798 623 D HA 0.200 4.840 4.640 0.000 0.000 0.308 623 D C -0.480 176.026 176.300 0.343 0.000 1.187 623 D CA -0.782 53.439 54.000 0.369 0.000 1.033 623 D CB 1.097 42.040 40.800 0.239 0.000 1.445 623 D HN -0.377 nan 8.370 nan 0.000 0.550 624 I N 1.627 122.310 120.570 0.188 0.000 2.752 624 I HA 0.140 4.310 4.170 0.000 0.000 0.286 624 I C 0.754 176.707 176.117 -0.273 0.000 1.180 624 I CA -0.067 61.203 61.300 -0.050 0.000 1.404 624 I CB -0.798 37.166 38.000 -0.060 0.000 1.389 624 I HN 0.309 nan 8.210 nan 0.000 0.549 625 A N 5.769 128.159 122.820 -0.718 0.000 2.450 625 A HA 0.280 4.600 4.320 0.000 0.000 0.255 625 A C 0.633 177.839 177.584 -0.631 0.000 1.096 625 A CA -0.152 51.636 52.037 -0.416 0.000 0.778 625 A CB 0.325 19.178 19.000 -0.246 0.000 1.031 625 A HN 0.741 nan 8.150 nan 0.000 0.494 626 S N 1.013 116.093 115.700 -1.034 0.000 2.601 626 S HA 0.172 4.642 4.470 0.000 0.000 0.271 626 S C 0.825 175.087 174.600 -0.564 0.000 1.305 626 S CA -0.520 57.167 58.200 -0.855 0.000 1.022 626 S CB 0.401 62.956 63.200 -1.076 0.000 0.940 626 S HN 0.671 nan 8.310 nan 0.000 0.525 627 D N 1.948 122.163 120.400 -0.309 0.000 2.149 627 D HA -0.158 4.482 4.640 0.000 0.000 0.194 627 D C 1.476 177.728 176.300 -0.080 0.000 1.001 627 D CA 1.682 55.594 54.000 -0.148 0.000 0.849 627 D CB -0.274 40.468 40.800 -0.098 0.000 0.939 627 D HN 0.824 nan 8.370 nan 0.000 0.449 628 D N -0.305 120.035 120.400 -0.100 0.000 2.371 628 D HA -0.156 4.484 4.640 0.000 0.000 0.221 628 D C 1.959 178.386 176.300 0.211 0.000 0.986 628 D CA 0.227 54.247 54.000 0.033 0.000 0.899 628 D CB -0.975 39.845 40.800 0.032 0.000 0.902 628 D HN 0.362 nan 8.370 nan 0.000 0.530 629 F N 0.491 120.434 119.950 -0.012 0.000 2.206 629 F HA 0.072 4.599 4.527 0.000 0.000 0.298 629 F C 1.657 177.462 175.800 0.008 0.000 1.090 629 F CA -0.278 57.720 58.000 -0.003 0.000 1.323 629 F CB 0.198 39.194 39.000 -0.007 0.000 1.028 629 F HN -0.069 nan 8.300 nan 0.000 0.492 630 I N 1.238 121.935 120.570 0.213 0.000 2.529 630 I HA -0.058 4.112 4.170 0.000 0.000 0.284 630 I C 1.014 177.185 176.117 0.089 0.000 1.082 630 I CA 0.238 61.616 61.300 0.129 0.000 1.406 630 I CB 1.184 39.255 38.000 0.117 0.000 1.405 630 I HN 0.018 nan 8.210 nan 0.000 0.548 631 K N 4.732 125.170 120.400 0.063 0.000 2.161 631 K HA 0.108 4.428 4.320 0.000 0.000 0.205 631 K C -0.180 176.442 176.600 0.037 0.000 1.035 631 K CA 0.253 56.566 56.287 0.044 0.000 0.970 631 K CB 0.312 32.830 32.500 0.029 0.000 0.866 631 K HN 0.614 nan 8.250 nan 0.000 0.461 632 D N 0.822 121.242 120.400 0.033 0.000 2.228 632 D HA 0.188 4.828 4.640 0.000 0.000 0.247 632 D C -0.621 175.703 176.300 0.040 0.000 0.995 632 D CA -0.273 53.745 54.000 0.030 0.000 0.903 632 D CB 2.058 42.871 40.800 0.021 0.000 1.205 632 D HN 0.037 nan 8.370 nan 0.000 0.459 633 S N -0.153 115.570 115.700 0.038 0.000 2.589 633 S HA 0.094 4.564 4.470 0.000 0.000 0.265 633 S C 0.760 175.390 174.600 0.051 0.000 1.342 633 S CA -0.283 57.944 58.200 0.045 0.000 1.005 633 S CB 0.786 64.008 63.200 0.036 0.000 0.909 633 S HN 0.519 nan 8.310 nan 0.000 0.555 634 S N -0.494 115.244 115.700 0.063 0.000 3.641 634 S HA -0.165 4.306 4.470 0.000 0.000 0.346 634 S C -0.228 174.429 174.600 0.094 0.000 1.074 634 S CA 0.455 58.701 58.200 0.075 0.000 1.026 634 S CB -1.537 61.697 63.200 0.057 0.000 0.908 634 S HN 0.746 nan 8.310 nan 0.000 0.479 635 C N 0.781 120.146 119.300 0.108 0.000 2.994 635 C HA 0.921 5.381 4.460 0.000 0.000 0.304 635 C C -0.421 174.684 174.990 0.192 0.000 1.273 635 C CA -0.956 58.118 59.018 0.095 0.000 1.537 635 C CB 1.491 29.247 27.740 0.027 0.000 2.001 635 C HN 0.643 nan 8.230 nan 0.000 0.471 636 F N 0.993 120.981 119.950 0.065 0.000 2.576 636 F HA 0.870 5.397 4.527 0.000 0.000 0.313 636 F C -1.362 174.501 175.800 0.105 0.000 1.078 636 F CA -1.287 56.763 58.000 0.082 0.000 0.921 636 F CB 1.096 40.136 39.000 0.067 0.000 1.232 636 F HN 0.378 nan 8.300 nan 0.000 0.459 637 L N 5.498 126.892 121.223 0.285 0.000 2.377 637 L HA 0.639 4.980 4.340 0.000 0.000 0.270 637 L C -2.687 174.420 176.870 0.395 0.000 0.991 637 L CA -2.475 52.496 54.840 0.218 0.000 0.851 637 L CB 1.584 43.771 42.059 0.213 0.000 1.218 637 L HN 0.445 nan 8.230 nan 0.000 0.420 638 P HA 0.192 nan 4.420 nan 0.000 0.271 638 P C -1.750 175.809 177.300 0.433 0.000 1.216 638 P CA 0.254 63.566 63.100 0.354 0.000 0.776 638 P CB 0.452 32.347 31.700 0.325 0.000 0.881 639 Y N 0.044 120.476 120.300 0.220 0.000 2.562 639 Y HA 0.534 5.084 4.550 0.000 0.000 0.345 639 Y C -1.310 174.717 175.900 0.213 0.000 1.045 639 Y CA -1.611 56.659 58.100 0.283 0.000 1.028 639 Y CB 1.110 39.723 38.460 0.255 0.000 1.297 639 Y HN 0.425 nan 8.280 nan 0.000 0.463 640 W N 4.131 125.581 121.300 0.249 0.000 2.316 640 W HA 0.400 5.060 4.660 0.000 0.000 0.311 640 W C -1.023 175.575 176.519 0.132 0.000 1.217 640 W CA -0.351 57.030 57.345 0.060 0.000 1.199 640 W CB 1.580 31.207 29.460 0.280 0.000 1.202 640 W HN 0.895 nan 8.180 nan 0.000 0.528 641 E N 4.560 124.336 120.200 -0.707 0.000 2.489 641 E HA 0.016 4.366 4.350 0.000 0.000 0.232 641 E C 0.497 176.480 176.600 -1.029 0.000 0.990 641 E CA -0.166 55.882 56.400 -0.586 0.000 0.768 641 E CB 0.440 29.895 29.700 -0.409 0.000 1.270 641 E HN 0.619 nan 8.360 nan 0.000 0.423 642 N N 2.889 121.090 118.700 -0.832 0.000 2.166 642 N HA -0.214 4.526 4.740 0.000 0.000 0.186 642 N C 1.607 176.969 175.510 -0.247 0.000 1.019 642 N CA 1.675 54.441 53.050 -0.473 0.000 0.856 642 N CB 0.081 38.621 38.487 0.088 0.000 0.993 642 N HN 0.508 nan 8.380 nan 0.000 0.426 643 N N -0.348 118.236 118.700 -0.194 0.000 2.585 643 N HA -0.095 4.645 4.740 0.000 0.000 0.188 643 N C 0.252 175.680 175.510 -0.137 0.000 1.102 643 N CA 1.402 54.382 53.050 -0.117 0.000 0.920 643 N CB -0.234 38.205 38.487 -0.080 0.000 0.963 643 N HN 0.291 nan 8.380 nan 0.000 0.447 644 S N -3.493 112.072 115.700 -0.225 0.000 2.993 644 S HA 0.115 4.585 4.470 0.000 0.000 0.257 644 S C -0.088 174.368 174.600 -0.240 0.000 0.997 644 S CA -0.003 58.081 58.200 -0.193 0.000 1.191 644 S CB -0.798 62.292 63.200 -0.183 0.000 1.143 644 S HN 0.103 nan 8.310 nan 0.000 0.655 645 T N 1.182 115.534 114.554 -0.337 0.000 3.795 645 T HA -0.148 4.203 4.350 0.000 0.000 0.370 645 T C 0.012 174.475 174.700 -0.394 0.000 0.761 645 T CA 1.159 63.074 62.100 -0.308 0.000 1.923 645 T CB -2.254 66.613 68.868 -0.002 0.000 1.795 645 T HN 0.607 nan 8.240 nan 0.000 0.762 646 S N -0.074 115.210 115.700 -0.694 0.000 2.600 646 S HA 0.805 5.275 4.470 0.000 0.000 0.300 646 S C -0.574 173.703 174.600 -0.538 0.000 1.087 646 S CA -0.943 56.982 58.200 -0.458 0.000 0.965 646 S CB 2.026 65.024 63.200 -0.335 0.000 1.089 646 S HN 0.351 nan 8.310 nan 0.000 0.496 647 L N 2.993 124.047 121.223 -0.282 0.000 2.305 647 L HA 0.574 4.914 4.340 0.000 0.000 0.284 647 L C -0.564 176.109 176.870 -0.327 0.000 1.013 647 L CA -0.175 54.513 54.840 -0.254 0.000 0.819 647 L CB 0.772 42.737 42.059 -0.156 0.000 1.227 647 L HN 0.469 nan 8.230 nan 0.000 0.417 648 K N 3.340 123.427 120.400 -0.522 0.000 2.393 648 K HA 0.934 5.254 4.320 0.000 0.000 0.241 648 K C -1.088 175.215 176.600 -0.495 0.000 1.055 648 K CA -0.881 55.038 56.287 -0.614 0.000 0.951 648 K CB 1.613 33.489 32.500 -1.039 0.000 1.285 648 K HN 0.521 nan 8.250 nan 0.000 0.500 649 A N 1.165 123.825 122.820 -0.267 0.000 2.442 649 A HA 0.382 4.702 4.320 0.000 0.000 0.284 649 A C -1.444 176.304 177.584 0.273 0.000 1.058 649 A CA -0.675 51.410 52.037 0.081 0.000 0.738 649 A CB 0.743 19.764 19.000 0.035 0.000 1.242 649 A HN 0.460 nan 8.150 nan 0.000 0.421 650 L N 3.666 125.180 121.223 0.484 0.000 2.313 650 L HA 0.613 4.953 4.340 0.000 0.000 0.282 650 L C -0.737 176.295 176.870 0.269 0.000 1.092 650 L CA 0.295 55.348 54.840 0.356 0.000 0.831 650 L CB 0.904 43.124 42.059 0.269 0.000 1.159 650 L HN 0.419 nan 8.230 nan 0.000 0.442 651 V N 5.648 125.677 119.914 0.192 0.000 2.495 651 V HA 0.423 4.543 4.120 0.000 0.000 0.298 651 V C -0.181 175.986 176.094 0.122 0.000 1.031 651 V CA -0.871 61.534 62.300 0.175 0.000 0.871 651 V CB 1.686 33.584 31.823 0.125 0.000 0.988 651 V HN 0.723 nan 8.190 nan 0.000 0.432 652 K N 4.628 125.099 120.400 0.119 0.000 2.347 652 K HA 0.418 4.738 4.320 0.000 0.000 0.262 652 K C 0.024 176.670 176.600 0.076 0.000 1.052 652 K CA -0.565 55.772 56.287 0.083 0.000 0.946 652 K CB 0.558 33.103 32.500 0.075 0.000 1.220 652 K HN 0.599 nan 8.250 nan 0.000 0.450 653 K N 3.523 123.959 120.400 0.060 0.000 2.397 653 K HA -0.011 4.309 4.320 0.000 0.000 0.265 653 K C -1.597 175.030 176.600 0.045 0.000 0.982 653 K CA -1.249 55.069 56.287 0.051 0.000 0.931 653 K CB 0.273 32.795 32.500 0.037 0.000 0.943 653 K HN 0.385 nan 8.250 nan 0.000 0.501 654 P HA -0.208 nan 4.420 nan 0.000 0.221 654 P C 0.345 177.661 177.300 0.028 0.000 1.145 654 P CA 1.601 64.722 63.100 0.035 0.000 0.795 654 P CB -0.225 31.494 31.700 0.031 0.000 0.775 655 N N -1.434 117.281 118.700 0.025 0.000 2.461 655 N HA 0.081 4.821 4.740 0.000 0.000 0.188 655 N C 1.315 176.838 175.510 0.021 0.000 1.134 655 N CA 0.655 53.718 53.050 0.021 0.000 0.878 655 N CB -0.286 38.212 38.487 0.017 0.000 0.972 655 N HN 0.080 nan 8.380 nan 0.000 0.456 656 G N -0.043 108.773 108.800 0.026 0.000 2.194 656 G HA2 -0.276 3.684 3.960 0.000 0.000 0.236 656 G HA3 -0.276 3.684 3.960 0.000 0.000 0.236 656 G C -0.340 174.576 174.900 0.026 0.000 0.987 656 G CA -0.090 45.026 45.100 0.026 0.000 0.635 656 G HN 0.487 nan 8.290 nan 0.000 0.520 657 E N -0.018 120.198 120.200 0.025 0.000 2.366 657 E HA 0.526 4.876 4.350 0.000 0.000 0.266 657 E C -0.254 176.365 176.600 0.031 0.000 1.051 657 E CA -0.633 55.781 56.400 0.024 0.000 0.884 657 E CB 1.191 30.902 29.700 0.019 0.000 1.006 657 E HN 0.100 nan 8.360 nan 0.000 0.417 658 L N 2.366 123.606 121.223 0.028 0.000 2.325 658 L HA 0.438 4.778 4.340 0.000 0.000 0.279 658 L C -0.436 176.455 176.870 0.035 0.000 1.054 658 L CA -0.265 54.597 54.840 0.036 0.000 0.804 658 L CB 1.584 43.658 42.059 0.026 0.000 1.200 658 L HN 0.277 nan 8.230 nan 0.000 0.436 659 V N 4.315 124.259 119.914 0.050 0.000 2.969 659 V HA 0.576 4.696 4.120 0.000 0.000 0.304 659 V C -1.050 175.087 176.094 0.071 0.000 1.192 659 V CA -0.734 61.593 62.300 0.045 0.000 0.962 659 V CB 2.475 34.317 31.823 0.032 0.000 1.045 659 V HN 0.765 nan 8.190 nan 0.000 0.428 660 R N 5.668 126.211 120.500 0.070 0.000 2.343 660 R HA 0.751 5.092 4.340 0.000 0.000 0.320 660 R C -1.190 175.137 176.300 0.044 0.000 0.956 660 R CA -0.461 55.705 56.100 0.110 0.000 0.836 660 R CB 1.575 31.970 30.300 0.159 0.000 1.151 660 R HN 0.591 nan 8.270 nan 0.000 0.450 661 L N 1.179 122.410 121.223 0.014 0.000 2.319 661 L HA 0.526 4.866 4.340 0.000 0.000 0.267 661 L C 0.067 176.875 176.870 -0.103 0.000 1.011 661 L CA -1.073 53.739 54.840 -0.047 0.000 0.818 661 L CB 2.287 44.308 42.059 -0.063 0.000 1.316 661 L HN 0.490 nan 8.230 nan 0.000 0.432 662 T N 1.831 116.318 114.554 -0.111 0.000 2.780 662 T HA 0.215 4.566 4.350 0.000 0.000 0.294 662 T C 0.537 175.150 174.700 -0.146 0.000 0.949 662 T CA -0.213 61.801 62.100 -0.143 0.000 1.074 662 T CB 1.598 70.395 68.868 -0.118 0.000 0.910 662 T HN 0.363 nan 8.240 nan 0.000 0.501 663 L N 3.594 124.716 121.223 -0.168 0.000 2.265 663 L HA 0.645 4.985 4.340 0.000 0.000 0.195 663 L C 0.733 177.534 176.870 -0.115 0.000 1.083 663 L CA 0.977 55.726 54.840 -0.153 0.000 0.798 663 L CB -0.232 41.738 42.059 -0.148 0.000 0.989 663 L HN 0.700 nan 8.230 nan 0.000 0.472 664 A N -1.435 121.319 122.820 -0.110 0.000 2.449 664 A HA 0.732 5.053 4.320 0.000 0.000 0.302 664 A C -0.584 176.952 177.584 -0.079 0.000 1.048 664 A CA 0.206 52.199 52.037 -0.073 0.000 0.708 664 A CB 1.018 19.993 19.000 -0.042 0.000 1.274 664 A HN 0.324 nan 8.150 nan 0.000 0.410 665 T N -0.606 113.914 114.554 -0.058 0.000 2.778 665 T HA 0.723 5.073 4.350 0.000 0.000 0.293 665 T C -0.096 174.586 174.700 -0.029 0.000 1.144 665 T CA -0.753 61.312 62.100 -0.059 0.000 1.010 665 T CB 0.434 69.259 68.868 -0.071 0.000 1.325 665 T HN 0.495 nan 8.240 nan 0.000 0.515 666 L N 0.000 121.207 121.223 -0.027 0.000 2.949 666 L HA 0.000 4.340 4.340 0.000 0.000 0.249 666 L CA 0.000 54.834 54.840 -0.010 0.000 0.813 666 L CB 0.000 42.056 42.059 -0.006 0.000 0.961 666 L HN 0.000 nan 8.230 nan 0.000 0.502