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 3i32_1_A DATA FIRST_RESID 211 DATA SEQUENCE VTYEEEAVPA PVRGRLEVLS DLLYVASPDR AMVFTRTKAE TEEIAQGLLR DATA SEQUENCE LGHPAQALHG DMSQGERERV MGAFRQGEVR VLVATDVAAR GLDIPQVDLV DATA SEQUENCE VHYRMPDRAE AYQHRSGRTX XXXXGGRVVL LYGPRERRDV EALERAVGRR DATA SEQUENCE FKRVNPPTPE EVLEAKWRHL LARLARVPEK DYRLYQDFAG RLFAEGRVEV DATA SEQUENCE VAALLALLLG GAPAERSLLT GEEGWRTYKA TGPRLSLPRL VALLKGQGLE DATA SEQUENCE VGKVAEAEGG FYVDLRPEAR PEVAGLRLEP A 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 211 V HA 0.000 nan 4.120 nan 0.000 0.244 211 V C 0.000 176.010 176.094 -0.139 0.000 1.182 211 V CA 0.000 62.215 62.300 -0.141 0.000 1.235 211 V CB 0.000 31.655 31.823 -0.280 0.000 1.184 212 T N -0.024 114.476 114.554 -0.089 0.000 3.415 212 T HA 0.496 2.568 4.350 -3.796 0.000 0.282 212 T C -0.584 174.179 174.700 0.105 0.000 1.007 212 T CA -0.199 61.907 62.100 0.010 0.000 0.958 212 T CB -0.346 68.562 68.868 0.067 0.000 1.171 212 T HN 0.976 nan 8.240 nan 0.000 0.500 213 Y N -0.855 119.483 120.300 0.064 0.000 2.553 213 Y HA 0.740 3.012 4.550 -3.796 0.000 0.347 213 Y C -0.765 175.182 175.900 0.079 0.000 1.019 213 Y CA -1.718 56.420 58.100 0.063 0.000 1.032 213 Y CB 1.117 39.612 38.460 0.058 0.000 1.284 213 Y HN 0.195 nan 8.280 nan 0.000 0.466 214 E N 1.602 121.946 120.200 0.240 0.000 2.229 214 E HA 0.399 2.471 4.350 -3.796 0.000 0.283 214 E C -1.343 175.406 176.600 0.248 0.000 1.030 214 E CA -0.779 55.726 56.400 0.175 0.000 0.836 214 E CB 1.490 31.264 29.700 0.123 0.000 1.068 214 E HN 0.692 nan 8.360 nan 0.000 0.401 215 E N 2.509 122.851 120.200 0.237 0.000 2.191 215 E HA 0.326 2.398 4.350 -3.796 0.000 0.274 215 E C -0.775 175.926 176.600 0.169 0.000 0.948 215 E CA -0.657 55.877 56.400 0.225 0.000 0.802 215 E CB 1.753 31.632 29.700 0.299 0.000 1.137 215 E HN 0.457 nan 8.360 nan 0.000 0.397 216 E N 0.690 120.945 120.200 0.092 0.000 2.308 216 E HA 0.565 2.637 4.350 -3.796 0.000 0.275 216 E C -1.509 175.152 176.600 0.103 0.000 0.890 216 E CA -1.029 55.442 56.400 0.118 0.000 0.754 216 E CB 2.106 31.864 29.700 0.097 0.000 1.207 216 E HN 0.486 nan 8.360 nan 0.000 0.426 217 A N 2.360 125.299 122.820 0.199 0.000 2.271 217 A HA 0.533 2.576 4.320 -3.796 0.000 0.317 217 A C -0.674 177.087 177.584 0.296 0.000 1.245 217 A CA -0.543 51.669 52.037 0.291 0.000 0.857 217 A CB 0.776 20.002 19.000 0.378 0.000 1.175 217 A HN 0.331 nan 8.150 nan 0.000 0.512 218 V N 5.539 125.552 119.914 0.164 0.000 2.370 218 V HA 0.352 2.194 4.120 -3.796 0.000 0.283 218 V C -2.341 173.564 176.094 -0.315 0.000 1.023 218 V CA -1.714 60.578 62.300 -0.014 0.000 0.857 218 V CB 1.695 33.498 31.823 -0.033 0.000 0.985 218 V HN 0.771 nan 8.190 nan 0.000 0.443 219 P HA 0.457 nan 4.420 nan 0.000 0.276 219 P C -0.880 176.139 177.300 -0.468 0.000 1.243 219 P CA -0.005 62.584 63.100 -0.852 0.000 0.768 219 P CB 0.913 32.346 31.700 -0.446 0.000 0.856 220 A N 4.734 127.283 122.820 -0.453 0.000 2.480 220 A HA 0.615 2.657 4.320 -3.796 0.000 0.289 220 A C -2.920 174.539 177.584 -0.208 0.000 1.044 220 A CA -1.583 50.298 52.037 -0.259 0.000 0.761 220 A CB 0.846 19.708 19.000 -0.231 0.000 1.289 220 A HN 0.237 nan 8.150 nan 0.000 0.401 221 P HA 0.069 nan 4.420 nan 0.000 0.271 221 P C 0.940 178.195 177.300 -0.074 0.000 1.238 221 P CA -0.129 62.916 63.100 -0.092 0.000 0.794 221 P CB 0.755 32.418 31.700 -0.063 0.000 0.959 222 V N 0.965 120.856 119.914 -0.038 0.000 3.630 222 V HA -0.038 1.805 4.120 -3.796 0.000 0.273 222 V C 1.453 177.553 176.094 0.010 0.000 1.248 222 V CA 1.279 63.569 62.300 -0.017 0.000 1.170 222 V CB -1.067 30.764 31.823 0.013 0.000 0.899 222 V HN 0.408 nan 8.190 nan 0.000 0.457 223 R N -0.177 120.324 120.500 0.003 0.000 2.119 223 R HA 0.258 2.320 4.340 -3.796 0.000 0.202 223 R C 2.102 178.415 176.300 0.023 0.000 1.114 223 R CA 1.024 57.138 56.100 0.024 0.000 1.089 223 R CB -0.965 29.351 30.300 0.028 0.000 1.000 223 R HN 0.423 nan 8.270 nan 0.000 0.487 224 G N 1.175 109.976 108.800 0.003 0.000 2.956 224 G HA2 -0.140 1.542 3.960 -3.796 0.000 0.207 224 G HA3 -0.140 1.542 3.960 -3.796 0.000 0.207 224 G C 1.433 176.323 174.900 -0.016 0.000 1.162 224 G CA -0.098 45.003 45.100 0.001 0.000 0.796 224 G HN 0.130 nan 8.290 nan 0.000 0.527 225 R N -0.248 120.230 120.500 -0.037 0.000 2.082 225 R HA -0.093 1.969 4.340 -3.796 0.000 0.234 225 R C 2.422 178.702 176.300 -0.033 0.000 1.136 225 R CA 1.463 57.493 56.100 -0.116 0.000 0.935 225 R CB -0.527 29.626 30.300 -0.244 0.000 0.842 225 R HN 0.333 nan 8.270 nan 0.000 0.430 226 L N 1.200 122.490 121.223 0.112 0.000 2.051 226 L HA -0.236 1.826 4.340 -3.796 0.000 0.214 226 L C 1.483 178.402 176.870 0.082 0.000 1.076 226 L CA 2.096 57.038 54.840 0.171 0.000 0.758 226 L CB -0.581 41.560 42.059 0.138 0.000 0.890 226 L HN 0.225 nan 8.230 nan 0.000 0.433 227 E N -0.938 119.294 120.200 0.053 0.000 2.152 227 E HA -0.101 1.971 4.350 -3.796 0.000 0.192 227 E C 2.148 178.769 176.600 0.034 0.000 0.983 227 E CA 1.318 57.748 56.400 0.050 0.000 0.818 227 E CB -0.286 29.440 29.700 0.043 0.000 0.758 227 E HN 0.437 nan 8.360 nan 0.000 0.467 228 V N 1.185 121.097 119.914 -0.003 0.000 2.343 228 V HA -0.236 1.606 4.120 -3.796 0.000 0.247 228 V C 2.285 178.363 176.094 -0.027 0.000 1.051 228 V CA 1.372 63.657 62.300 -0.025 0.000 1.036 228 V CB -0.565 31.214 31.823 -0.074 0.000 0.654 228 V HN 0.305 nan 8.190 nan 0.000 0.451 229 L N 0.052 121.253 121.223 -0.036 0.000 1.997 229 L HA -0.286 1.776 4.340 -3.796 0.000 0.216 229 L C 2.686 179.504 176.870 -0.086 0.000 1.074 229 L CA 2.438 57.249 54.840 -0.047 0.000 0.763 229 L CB -0.406 41.664 42.059 0.018 0.000 0.890 229 L HN 0.467 nan 8.230 nan 0.000 0.434 230 S N -0.730 114.949 115.700 -0.035 0.000 2.383 230 S HA -0.193 1.999 4.470 -3.796 0.000 0.227 230 S C 1.482 176.130 174.600 0.079 0.000 1.026 230 S CA 1.462 59.650 58.200 -0.020 0.000 0.981 230 S CB -0.211 63.085 63.200 0.160 0.000 0.818 230 S HN 0.478 nan 8.310 nan 0.000 0.472 231 D N 1.338 121.808 120.400 0.117 0.000 2.123 231 D HA -0.075 2.287 4.640 -3.796 0.000 0.196 231 D C 1.890 178.259 176.300 0.116 0.000 0.992 231 D CA 1.000 55.097 54.000 0.162 0.000 0.833 231 D CB -0.386 40.468 40.800 0.090 0.000 0.954 231 D HN 0.388 nan 8.370 nan 0.000 0.455 232 L N 0.034 121.272 121.223 0.024 0.000 2.056 232 L HA -0.100 1.962 4.340 -3.796 0.000 0.207 232 L C 2.552 179.407 176.870 -0.025 0.000 1.078 232 L CA 0.506 55.347 54.840 0.001 0.000 0.749 232 L CB -0.336 41.703 42.059 -0.034 0.000 0.901 232 L HN 0.041 nan 8.230 nan 0.000 0.433 233 L N -1.460 119.678 121.223 -0.141 0.000 2.012 233 L HA -0.271 1.792 4.340 -3.796 0.000 0.210 233 L C 2.567 179.372 176.870 -0.108 0.000 1.073 233 L CA 1.704 56.390 54.840 -0.256 0.000 0.748 233 L CB -0.668 40.952 42.059 -0.733 0.000 0.891 233 L HN 0.196 nan 8.230 nan 0.000 0.431 234 Y N -1.020 119.306 120.300 0.043 0.000 2.200 234 Y HA -0.213 2.061 4.550 -3.793 0.000 0.290 234 Y C 2.500 178.455 175.900 0.093 0.000 1.137 234 Y CA 0.804 58.889 58.100 -0.026 0.000 1.163 234 Y CB -0.094 38.360 38.460 -0.011 0.000 0.988 234 Y HN -0.095 nan 8.280 nan 0.000 0.518 235 V N -0.943 119.117 119.914 0.243 0.000 2.871 235 V HA -0.193 1.650 4.120 -3.796 0.000 0.256 235 V C 2.015 178.200 176.094 0.152 0.000 1.082 235 V CA 1.544 63.953 62.300 0.180 0.000 1.105 235 V CB -0.602 31.295 31.823 0.124 0.000 0.713 235 V HN 0.441 nan 8.190 nan 0.000 0.473 236 A N -1.423 121.477 122.820 0.135 0.000 2.085 236 A HA 0.178 2.220 4.320 -3.796 0.000 0.208 236 A C 1.357 179.021 177.584 0.133 0.000 1.191 236 A CA 0.750 52.849 52.037 0.103 0.000 0.799 236 A CB 0.117 19.151 19.000 0.056 0.000 0.877 236 A HN 0.494 nan 8.150 nan 0.000 0.473 237 S N 0.537 116.369 115.700 0.219 0.000 3.628 237 S HA -0.089 2.104 4.470 -3.796 0.000 0.373 237 S C -2.296 172.392 174.600 0.146 0.000 0.968 237 S CA 0.575 58.955 58.200 0.300 0.000 1.215 237 S CB -1.751 61.595 63.200 0.244 0.000 0.912 237 S HN 0.716 nan 8.310 nan 0.000 0.495 238 P HA 0.262 nan 4.420 nan 0.000 0.271 238 P C 0.401 177.736 177.300 0.058 0.000 1.216 238 P CA -0.243 62.886 63.100 0.049 0.000 0.776 238 P CB 0.647 32.357 31.700 0.016 0.000 0.881 239 D N 1.634 122.054 120.400 0.032 0.000 2.149 239 D HA -0.017 2.346 4.640 -3.796 0.000 0.201 239 D C 0.696 177.014 176.300 0.030 0.000 0.972 239 D CA 1.396 55.412 54.000 0.026 0.000 0.835 239 D CB 0.265 41.062 40.800 -0.005 0.000 0.966 239 D HN 0.390 nan 8.370 nan 0.000 0.476 240 R N -0.412 120.095 120.500 0.011 0.000 2.574 240 R HA 0.696 2.758 4.340 -3.796 0.000 0.288 240 R C -1.240 175.113 176.300 0.089 0.000 1.004 240 R CA -0.487 55.645 56.100 0.053 0.000 0.895 240 R CB 2.605 32.777 30.300 -0.213 0.000 1.191 240 R HN -0.047 nan 8.270 nan 0.000 0.444 241 A N 3.162 126.092 122.820 0.183 0.000 2.380 241 A HA 0.763 2.805 4.320 -3.796 0.000 0.315 241 A C -1.116 176.494 177.584 0.043 0.000 1.101 241 A CA -0.681 51.385 52.037 0.049 0.000 0.771 241 A CB 1.843 20.805 19.000 -0.062 0.000 1.287 241 A HN 0.705 nan 8.150 nan 0.000 0.436 242 M N 2.340 121.872 119.600 -0.112 0.000 2.259 242 M HA 0.521 2.724 4.480 -3.796 0.000 0.304 242 M C -1.888 174.143 176.300 -0.449 0.000 1.019 242 M CA -0.451 54.662 55.300 -0.312 0.000 0.922 242 M CB 1.835 34.216 32.600 -0.364 0.000 1.600 242 M HN 0.368 nan 8.290 nan 0.000 0.433 243 V N 6.079 125.723 119.914 -0.451 0.000 2.293 243 V HA 0.383 2.225 4.120 -3.796 0.000 0.275 243 V C -0.843 175.075 176.094 -0.293 0.000 1.021 243 V CA -0.323 61.793 62.300 -0.308 0.000 0.815 243 V CB 0.694 32.412 31.823 -0.174 0.000 1.025 243 V HN 0.692 nan 8.190 nan 0.000 0.448 244 F N 3.276 123.169 119.950 -0.094 0.000 2.438 244 F HA 0.436 2.686 4.527 -3.795 0.000 0.356 244 F C 0.996 176.816 175.800 0.033 0.000 1.099 244 F CA 0.395 58.368 58.000 -0.046 0.000 1.185 244 F CB 1.596 40.560 39.000 -0.061 0.000 1.115 244 F HN 0.444 nan 8.300 nan 0.000 0.526 245 T N 2.339 117.023 114.554 0.217 0.000 2.819 245 T HA 0.322 2.395 4.350 -3.796 0.000 0.271 245 T C 1.121 175.907 174.700 0.142 0.000 0.986 245 T CA -0.530 61.652 62.100 0.136 0.000 0.989 245 T CB 1.599 70.439 68.868 -0.047 0.000 1.396 245 T HN 0.697 nan 8.240 nan 0.000 0.597 246 R N -0.388 120.171 120.500 0.098 0.000 2.062 246 R HA 0.173 2.235 4.340 -3.796 0.000 0.218 246 R C 0.856 177.192 176.300 0.060 0.000 1.161 246 R CA 1.045 57.195 56.100 0.084 0.000 0.994 246 R CB -0.514 29.834 30.300 0.080 0.000 0.888 246 R HN 0.741 nan 8.270 nan 0.000 0.442 247 T N -1.866 112.711 114.554 0.039 0.000 2.936 247 T HA 0.179 2.251 4.350 -3.796 0.000 0.282 247 T C 0.883 175.601 174.700 0.029 0.000 1.003 247 T CA -0.733 61.387 62.100 0.032 0.000 1.005 247 T CB 1.954 70.835 68.868 0.021 0.000 1.097 247 T HN 0.233 nan 8.240 nan 0.000 0.532 248 K N 0.412 120.839 120.400 0.045 0.000 2.057 248 K HA -0.040 2.002 4.320 -3.796 0.000 0.207 248 K C 2.319 178.915 176.600 -0.006 0.000 1.049 248 K CA 1.293 57.622 56.287 0.070 0.000 0.931 248 K CB -0.878 31.702 32.500 0.133 0.000 0.714 248 K HN 0.689 nan 8.250 nan 0.000 0.440 249 A N 1.545 124.355 122.820 -0.017 0.000 1.902 249 A HA -0.195 1.847 4.320 -3.796 0.000 0.217 249 A C 1.810 179.342 177.584 -0.086 0.000 1.181 249 A CA 1.831 53.837 52.037 -0.053 0.000 0.623 249 A CB -0.523 18.459 19.000 -0.030 0.000 0.818 249 A HN 0.557 nan 8.150 nan 0.000 0.443 250 E N -0.471 119.679 120.200 -0.082 0.000 2.204 250 E HA -0.151 1.921 4.350 -3.796 0.000 0.195 250 E C 2.194 178.686 176.600 -0.179 0.000 0.990 250 E CA 1.556 57.876 56.400 -0.134 0.000 0.821 250 E CB -0.378 29.236 29.700 -0.144 0.000 0.750 250 E HN 0.889 nan 8.360 nan 0.000 0.477 251 T N -0.556 113.909 114.554 -0.148 0.000 2.708 251 T HA -0.200 1.872 4.350 -3.796 0.000 0.266 251 T C 1.940 176.532 174.700 -0.180 0.000 1.037 251 T CA 1.379 63.382 62.100 -0.162 0.000 1.146 251 T CB -0.143 68.658 68.868 -0.112 0.000 0.865 251 T HN -0.036 nan 8.240 nan 0.000 0.435 252 E N 1.292 121.376 120.200 -0.194 0.000 2.072 252 E HA -0.050 2.022 4.350 -3.796 0.000 0.191 252 E C 2.178 178.694 176.600 -0.140 0.000 0.985 252 E CA 1.205 57.496 56.400 -0.181 0.000 0.801 252 E CB -0.352 29.223 29.700 -0.209 0.000 0.750 252 E HN 0.763 nan 8.360 nan 0.000 0.452 253 E N 0.206 120.325 120.200 -0.135 0.000 2.026 253 E HA -0.250 1.822 4.350 -3.796 0.000 0.206 253 E C 2.070 178.598 176.600 -0.121 0.000 1.028 253 E CA 2.021 58.353 56.400 -0.113 0.000 0.845 253 E CB -0.308 29.325 29.700 -0.112 0.000 0.772 253 E HN 0.318 nan 8.360 nan 0.000 0.462 254 I N 1.012 121.476 120.570 -0.176 0.000 2.163 254 I HA -0.286 1.606 4.170 -3.796 0.000 0.243 254 I C 2.743 178.779 176.117 -0.135 0.000 1.085 254 I CA 1.110 62.299 61.300 -0.185 0.000 1.347 254 I CB -0.541 37.266 38.000 -0.322 0.000 1.044 254 I HN 0.238 nan 8.210 nan 0.000 0.408 255 A N 0.457 123.189 122.820 -0.147 0.000 1.917 255 A HA -0.259 1.784 4.320 -3.796 0.000 0.219 255 A C 2.298 179.828 177.584 -0.090 0.000 1.182 255 A CA 1.608 53.568 52.037 -0.128 0.000 0.633 255 A CB -0.558 18.357 19.000 -0.141 0.000 0.819 255 A HN 0.436 nan 8.150 nan 0.000 0.448 256 Q N -0.710 119.040 119.800 -0.083 0.000 2.061 256 Q HA -0.148 1.914 4.340 -3.796 0.000 0.204 256 Q C 2.170 178.148 176.000 -0.036 0.000 0.984 256 Q CA 1.755 57.523 55.803 -0.057 0.000 0.846 256 Q CB -1.173 27.531 28.738 -0.056 0.000 0.902 256 Q HN 0.659 nan 8.270 nan 0.000 0.421 257 G N 0.191 108.970 108.800 -0.034 0.000 2.598 257 G HA2 -0.060 1.622 3.960 -3.796 0.000 0.215 257 G HA3 -0.060 1.622 3.960 -3.796 0.000 0.215 257 G C 1.463 176.372 174.900 0.015 0.000 1.131 257 G CA 0.159 45.254 45.100 -0.008 0.000 0.785 257 G HN 0.212 nan 8.290 nan 0.000 0.539 258 L N -0.573 120.653 121.223 0.004 0.000 2.127 258 L HA 0.172 2.234 4.340 -3.796 0.000 0.203 258 L C 2.735 179.647 176.870 0.070 0.000 1.080 258 L CA 0.152 55.022 54.840 0.049 0.000 0.768 258 L CB -0.311 41.736 42.059 -0.019 0.000 0.924 258 L HN 0.141 nan 8.230 nan 0.000 0.444 259 L N -0.280 120.955 121.223 0.020 0.000 2.012 259 L HA -0.236 1.827 4.340 -3.796 0.000 0.210 259 L C 2.775 179.650 176.870 0.008 0.000 1.073 259 L CA 1.511 56.357 54.840 0.010 0.000 0.748 259 L CB -0.522 41.531 42.059 -0.010 0.000 0.891 259 L HN 0.153 nan 8.230 nan 0.000 0.431 260 R N -0.259 120.246 120.500 0.008 0.000 2.170 260 R HA -0.152 1.910 4.340 -3.796 0.000 0.242 260 R C 1.664 177.977 176.300 0.021 0.000 1.145 260 R CA 1.149 57.254 56.100 0.010 0.000 0.984 260 R CB -0.303 30.002 30.300 0.009 0.000 0.869 260 R HN 0.361 nan 8.270 nan 0.000 0.455 261 L N -0.872 120.375 121.223 0.039 0.000 2.700 261 L HA 0.250 2.312 4.340 -3.796 0.000 0.234 261 L C 0.857 177.725 176.870 -0.004 0.000 1.156 261 L CA 0.144 55.021 54.840 0.061 0.000 0.946 261 L CB 0.992 43.132 42.059 0.135 0.000 1.216 261 L HN 0.399 nan 8.230 nan 0.000 0.493 262 G N -0.873 107.898 108.800 -0.049 0.000 2.144 262 G HA2 -0.208 1.474 3.960 -3.796 0.000 0.218 262 G HA3 -0.208 1.474 3.960 -3.796 0.000 0.218 262 G C 0.037 174.799 174.900 -0.230 0.000 0.988 262 G CA -0.561 44.483 45.100 -0.094 0.000 0.659 262 G HN 0.358 nan 8.290 nan 0.000 0.522 263 H N 0.374 119.422 119.070 -0.036 0.000 2.476 263 H HA 0.375 2.655 4.556 -3.795 0.000 0.328 263 H C -2.486 172.800 175.328 -0.070 0.000 1.073 263 H CA -2.016 53.966 56.048 -0.109 0.000 1.229 263 H CB 1.857 31.495 29.762 -0.205 0.000 1.432 263 H HN -0.003 nan 8.280 nan 0.000 0.477 264 P HA 0.147 nan 4.420 nan 0.000 0.259 264 P C -0.786 176.506 177.300 -0.013 0.000 1.635 264 P CA 0.125 63.243 63.100 0.032 0.000 1.199 264 P CB -0.088 31.642 31.700 0.051 0.000 1.850 265 A N 2.948 125.743 122.820 -0.042 0.000 2.454 265 A HA 0.752 2.794 4.320 -3.796 0.000 0.302 265 A C -0.822 176.688 177.584 -0.123 0.000 1.079 265 A CA -0.476 51.494 52.037 -0.111 0.000 0.731 265 A CB 1.775 20.705 19.000 -0.116 0.000 1.299 265 A HN 0.273 nan 8.150 nan 0.000 0.413 266 Q N -0.400 119.292 119.800 -0.180 0.000 2.418 266 Q HA 0.631 2.694 4.340 -3.796 0.000 0.282 266 Q C -0.628 175.265 176.000 -0.178 0.000 1.044 266 Q CA -0.642 55.069 55.803 -0.154 0.000 0.813 266 Q CB 2.544 31.201 28.738 -0.135 0.000 1.428 266 Q HN 1.059 nan 8.270 nan 0.000 0.402 267 A N 1.060 123.798 122.820 -0.136 0.000 2.261 267 A HA 0.909 2.952 4.320 -3.796 0.000 0.323 267 A C -1.166 176.391 177.584 -0.046 0.000 1.107 267 A CA -0.408 51.553 52.037 -0.127 0.000 0.883 267 A CB 0.983 19.888 19.000 -0.159 0.000 1.251 267 A HN 0.479 nan 8.150 nan 0.000 0.502 268 L N -0.241 120.995 121.223 0.022 0.000 2.830 268 L HA 0.407 2.470 4.340 -3.796 0.000 0.259 268 L C -0.187 176.799 176.870 0.193 0.000 0.943 268 L CA 0.029 54.943 54.840 0.122 0.000 0.997 268 L CB 1.122 43.184 42.059 0.004 0.000 1.427 268 L HN 1.037 nan 8.230 nan 0.000 0.456 269 H N 1.533 120.592 119.070 -0.018 0.000 2.627 269 H HA 0.722 3.000 4.556 -3.796 0.000 0.211 269 H C 0.992 176.322 175.328 0.003 0.000 0.873 269 H CA 0.157 56.201 56.048 -0.007 0.000 0.969 269 H CB 1.047 30.799 29.762 -0.018 0.000 1.328 269 H HN 0.573 nan 8.280 nan 0.000 0.423 270 G N 0.437 108.977 108.800 -0.433 0.000 2.977 270 G HA2 -0.178 1.504 3.960 -3.796 0.000 0.211 270 G HA3 -0.178 1.504 3.960 -3.796 0.000 0.211 270 G C -0.211 174.479 174.900 -0.351 0.000 0.994 270 G CA 0.195 45.129 45.100 -0.277 0.000 0.795 270 G HN 0.258 nan 8.290 nan 0.000 0.518 271 D N 1.822 121.821 120.400 -0.668 0.000 2.434 271 D HA 0.267 2.629 4.640 -3.796 0.000 0.232 271 D C 0.978 177.079 176.300 -0.332 0.000 1.166 271 D CA 0.251 54.038 54.000 -0.355 0.000 0.830 271 D CB 0.038 40.787 40.800 -0.085 0.000 0.960 271 D HN 0.296 nan 8.370 nan 0.000 0.497 272 M N 0.903 120.284 119.600 -0.364 0.000 2.144 272 M HA 0.202 2.404 4.480 -3.796 0.000 0.356 272 M C 0.408 176.650 176.300 -0.096 0.000 1.217 272 M CA -0.422 54.773 55.300 -0.176 0.000 1.087 272 M CB 1.290 33.802 32.600 -0.147 0.000 1.609 272 M HN -0.154 nan 8.290 nan 0.000 0.467 273 S N 1.704 117.373 115.700 -0.051 0.000 2.554 273 S HA 0.231 2.423 4.470 -3.796 0.000 0.278 273 S C 0.794 175.381 174.600 -0.022 0.000 1.242 273 S CA -0.710 57.471 58.200 -0.033 0.000 1.051 273 S CB 2.006 65.193 63.200 -0.021 0.000 0.986 273 S HN 0.708 nan 8.310 nan 0.000 0.502 274 Q N 2.878 122.667 119.800 -0.019 0.000 2.224 274 Q HA -0.175 1.888 4.340 -3.796 0.000 0.213 274 Q C 1.939 177.935 176.000 -0.005 0.000 0.998 274 Q CA 2.581 58.377 55.803 -0.011 0.000 0.895 274 Q CB -1.132 27.601 28.738 -0.009 0.000 0.926 274 Q HN 1.022 nan 8.270 nan 0.000 0.417 275 G N 0.146 108.943 108.800 -0.004 0.000 2.404 275 G HA2 -0.254 1.428 3.960 -3.796 0.000 0.215 275 G HA3 -0.254 1.428 3.960 -3.796 0.000 0.215 275 G C 0.543 175.444 174.900 0.003 0.000 1.174 275 G CA 0.800 45.900 45.100 -0.000 0.000 0.780 275 G HN 0.664 nan 8.290 nan 0.000 0.537 276 E N 0.029 120.230 120.200 0.002 0.000 2.304 276 E HA 0.311 2.384 4.350 -3.796 0.000 0.212 276 E C 1.482 178.087 176.600 0.008 0.000 1.185 276 E CA -0.345 56.059 56.400 0.007 0.000 1.326 276 E CB 0.365 30.072 29.700 0.011 0.000 1.283 276 E HN 0.467 nan 8.360 nan 0.000 0.440 277 R N 0.622 121.125 120.500 0.006 0.000 2.492 277 R HA 0.103 2.166 4.340 -3.796 0.000 0.219 277 R C 1.302 177.612 176.300 0.017 0.000 0.886 277 R CA 0.391 56.495 56.100 0.008 0.000 1.003 277 R CB 0.345 30.644 30.300 -0.002 0.000 1.345 277 R HN 0.078 nan 8.270 nan 0.000 0.631 278 E N 0.924 121.133 120.200 0.015 0.000 2.086 278 E HA -0.049 2.024 4.350 -3.796 0.000 0.190 278 E C 1.603 178.218 176.600 0.026 0.000 0.975 278 E CA 0.927 57.339 56.400 0.020 0.000 0.813 278 E CB 0.058 29.766 29.700 0.014 0.000 0.768 278 E HN 0.304 nan 8.360 nan 0.000 0.457 279 R N 1.163 121.676 120.500 0.021 0.000 2.097 279 R HA -0.144 1.919 4.340 -3.796 0.000 0.236 279 R C 2.504 178.823 176.300 0.032 0.000 1.135 279 R CA 1.579 57.692 56.100 0.022 0.000 0.934 279 R CB -1.325 28.984 30.300 0.016 0.000 0.846 279 R HN 0.002 nan 8.270 nan 0.000 0.431 280 V N 2.171 122.100 119.914 0.026 0.000 2.226 280 V HA -0.362 1.480 4.120 -3.796 0.000 0.254 280 V C 2.609 178.747 176.094 0.074 0.000 1.065 280 V CA 2.343 64.658 62.300 0.024 0.000 1.039 280 V CB -0.565 31.261 31.823 0.005 0.000 0.653 280 V HN 0.324 nan 8.190 nan 0.000 0.450 281 M N 0.345 119.997 119.600 0.087 0.000 2.213 281 M HA -0.058 2.145 4.480 -3.796 0.000 0.263 281 M C 2.313 178.684 176.300 0.117 0.000 1.062 281 M CA 1.997 57.381 55.300 0.141 0.000 1.105 281 M CB -2.044 30.614 32.600 0.095 0.000 1.385 281 M HN 0.499 nan 8.290 nan 0.000 0.417 282 G N 0.389 109.232 108.800 0.071 0.000 2.433 282 G HA2 -0.105 1.578 3.960 -3.796 0.000 0.216 282 G HA3 -0.105 1.578 3.960 -3.796 0.000 0.216 282 G C 1.673 176.612 174.900 0.065 0.000 1.186 282 G CA 1.339 46.469 45.100 0.050 0.000 0.779 282 G HN 0.543 nan 8.290 nan 0.000 0.543 283 A N -0.139 122.728 122.820 0.078 0.000 2.024 283 A HA 0.049 2.092 4.320 -3.796 0.000 0.220 283 A C 2.144 179.824 177.584 0.159 0.000 1.164 283 A CA 1.625 53.714 52.037 0.087 0.000 0.643 283 A CB -0.459 18.579 19.000 0.063 0.000 0.806 283 A HN 0.369 nan 8.150 nan 0.000 0.451 284 F N 0.762 120.701 119.950 -0.018 0.000 2.118 284 F HA -0.004 2.245 4.527 -3.797 0.000 0.293 284 F C 2.298 178.084 175.800 -0.023 0.000 1.102 284 F CA 1.234 59.218 58.000 -0.026 0.000 1.247 284 F CB -0.619 38.359 39.000 -0.036 0.000 1.017 284 F HN 0.166 nan 8.300 nan 0.000 0.475 285 R N -0.138 120.318 120.500 -0.073 0.000 2.075 285 R HA -0.159 1.903 4.340 -3.796 0.000 0.232 285 R C 2.237 178.481 176.300 -0.095 0.000 1.126 285 R CA 1.484 57.466 56.100 -0.195 0.000 0.963 285 R CB -0.735 29.487 30.300 -0.131 0.000 0.858 285 R HN 0.394 nan 8.270 nan 0.000 0.435 286 Q N -0.390 119.396 119.800 -0.023 0.000 2.124 286 Q HA -0.121 1.941 4.340 -3.796 0.000 0.202 286 Q C 0.805 176.806 176.000 0.001 0.000 0.977 286 Q CA 1.729 57.528 55.803 -0.008 0.000 0.850 286 Q CB 0.251 28.996 28.738 0.012 0.000 0.901 286 Q HN 0.588 nan 8.270 nan 0.000 0.429 287 G N -0.526 108.291 108.800 0.027 0.000 2.273 287 G HA2 -0.206 1.476 3.960 -3.796 0.000 0.162 287 G HA3 -0.206 1.476 3.960 -3.796 0.000 0.162 287 G C 0.456 175.397 174.900 0.068 0.000 1.006 287 G CA 0.275 45.401 45.100 0.043 0.000 0.704 287 G HN 0.383 nan 8.290 nan 0.000 0.487 288 E N -0.140 120.104 120.200 0.073 0.000 2.028 288 E HA 0.143 2.216 4.350 -3.796 0.000 0.190 288 E C 0.639 177.283 176.600 0.073 0.000 0.984 288 E CA 1.264 57.703 56.400 0.064 0.000 0.800 288 E CB 0.122 29.853 29.700 0.052 0.000 0.758 288 E HN 0.261 nan 8.360 nan 0.000 0.448 289 V N 2.339 122.316 119.914 0.105 0.000 2.333 289 V HA 0.201 2.043 4.120 -3.796 0.000 0.274 289 V C 0.871 177.081 176.094 0.194 0.000 1.028 289 V CA -0.240 62.109 62.300 0.082 0.000 0.851 289 V CB 1.332 33.149 31.823 -0.010 0.000 1.000 289 V HN 0.205 nan 8.190 nan 0.000 0.456 290 R N 3.235 123.814 120.500 0.132 0.000 2.297 290 R HA 0.207 2.269 4.340 -3.796 0.000 0.197 290 R C -0.368 176.030 176.300 0.163 0.000 0.943 290 R CA 0.490 56.698 56.100 0.180 0.000 1.038 290 R CB 0.548 30.920 30.300 0.119 0.000 0.957 290 R HN 0.547 nan 8.270 nan 0.000 0.484 291 V N 1.638 121.527 119.914 -0.041 0.000 2.733 291 V HA 0.318 2.161 4.120 -3.796 0.000 0.306 291 V C -1.224 174.567 176.094 -0.505 0.000 1.084 291 V CA -1.033 61.141 62.300 -0.210 0.000 0.905 291 V CB 1.989 33.693 31.823 -0.198 0.000 1.010 291 V HN -0.042 nan 8.190 nan 0.000 0.424 292 L N 5.528 126.353 121.223 -0.664 0.000 2.356 292 L HA 0.799 2.861 4.340 -3.796 0.000 0.277 292 L C -0.783 175.820 176.870 -0.445 0.000 0.996 292 L CA -0.225 54.188 54.840 -0.713 0.000 0.822 292 L CB 2.021 43.389 42.059 -1.151 0.000 1.256 292 L HN 0.471 nan 8.230 nan 0.000 0.413 293 V N 5.150 124.864 119.914 -0.335 0.000 2.357 293 V HA 0.946 2.788 4.120 -3.796 0.000 0.284 293 V C 0.125 176.104 176.094 -0.193 0.000 1.018 293 V CA 0.049 62.192 62.300 -0.262 0.000 0.841 293 V CB 0.754 32.448 31.823 -0.216 0.000 0.991 293 V HN 1.004 nan 8.190 nan 0.000 0.437 294 A N 3.771 126.492 122.820 -0.166 0.000 2.564 294 A HA 0.988 3.030 4.320 -3.796 0.000 0.288 294 A C -0.108 177.569 177.584 0.155 0.000 1.164 294 A CA -0.240 51.786 52.037 -0.018 0.000 0.712 294 A CB 2.037 21.019 19.000 -0.030 0.000 1.303 294 A HN 0.788 nan 8.150 nan 0.000 0.418 295 T N -2.406 112.265 114.554 0.196 0.000 2.948 295 T HA 0.477 2.549 4.350 -3.796 0.000 0.285 295 T C -0.070 174.762 174.700 0.220 0.000 1.019 295 T CA -0.172 62.048 62.100 0.200 0.000 1.013 295 T CB 1.096 70.034 68.868 0.116 0.000 1.117 295 T HN 0.341 nan 8.240 nan 0.000 0.533 296 D N -0.032 120.419 120.400 0.085 0.000 2.263 296 D HA -0.042 2.320 4.640 -3.796 0.000 0.208 296 D C 2.011 178.322 176.300 0.019 0.000 0.971 296 D CA 0.624 54.603 54.000 -0.035 0.000 0.867 296 D CB -0.182 40.580 40.800 -0.063 0.000 0.929 296 D HN 0.407 nan 8.370 nan 0.000 0.492 297 V N 0.890 120.832 119.914 0.047 0.000 2.283 297 V HA -0.015 1.827 4.120 -3.796 0.000 0.239 297 V C 2.290 178.410 176.094 0.043 0.000 1.035 297 V CA 1.282 63.602 62.300 0.033 0.000 1.018 297 V CB -1.024 30.813 31.823 0.024 0.000 0.658 297 V HN 0.114 nan 8.190 nan 0.000 0.459 298 A N -0.054 122.799 122.820 0.054 0.000 2.292 298 A HA 0.168 2.210 4.320 -3.796 0.000 0.209 298 A C 2.052 179.688 177.584 0.087 0.000 1.209 298 A CA 1.534 53.599 52.037 0.048 0.000 0.746 298 A CB -0.651 18.370 19.000 0.035 0.000 0.764 298 A HN 0.604 nan 8.150 nan 0.000 0.492 299 A N -0.253 122.647 122.820 0.133 0.000 1.973 299 A HA 0.238 2.280 4.320 -3.796 0.000 0.210 299 A C 1.310 178.965 177.584 0.118 0.000 1.200 299 A CA -0.096 52.063 52.037 0.203 0.000 0.707 299 A CB -0.002 19.244 19.000 0.410 0.000 0.862 299 A HN 0.512 nan 8.150 nan 0.000 0.461 300 R N -0.383 120.152 120.500 0.058 0.000 2.694 300 R HA 0.449 2.512 4.340 -3.796 0.000 0.268 300 R C 0.254 176.562 176.300 0.013 0.000 1.061 300 R CA 0.887 56.994 56.100 0.012 0.000 1.133 300 R CB 0.150 30.434 30.300 -0.026 0.000 1.020 300 R HN 0.653 nan 8.270 nan 0.000 0.475 301 G N 0.639 109.439 108.800 -0.000 0.000 2.435 301 G HA2 -0.052 1.630 3.960 -3.796 0.000 0.603 301 G HA3 -0.052 1.630 3.960 -3.796 0.000 0.603 301 G C -0.189 174.714 174.900 0.005 0.000 1.496 301 G CA -1.034 44.067 45.100 0.003 0.000 0.896 301 G HN 0.492 nan 8.290 nan 0.000 0.657 302 L N 0.324 121.547 121.223 0.000 0.000 2.599 302 L HA 0.187 2.249 4.340 -3.796 0.000 0.230 302 L C 1.472 178.345 176.870 0.004 0.000 1.141 302 L CA 0.780 55.620 54.840 -0.000 0.000 0.877 302 L CB -0.136 41.921 42.059 -0.004 0.000 1.009 302 L HN 0.643 nan 8.230 nan 0.000 0.447 303 D N -0.301 120.105 120.400 0.010 0.000 2.491 303 D HA 0.113 2.475 4.640 -3.796 0.000 0.228 303 D C 0.275 176.590 176.300 0.025 0.000 1.183 303 D CA -0.011 53.998 54.000 0.014 0.000 0.827 303 D CB 0.219 41.029 40.800 0.016 0.000 0.989 303 D HN 0.035 nan 8.370 nan 0.000 0.494 304 I N 1.636 122.221 120.570 0.026 0.000 2.382 304 I HA 0.305 2.197 4.170 -3.796 0.000 0.286 304 I C -2.026 174.096 176.117 0.009 0.000 1.002 304 I CA -1.909 59.416 61.300 0.042 0.000 1.135 304 I CB 1.308 39.347 38.000 0.064 0.000 1.288 304 I HN -0.228 nan 8.210 nan 0.000 0.448 305 P HA 0.072 nan 4.420 nan 0.000 0.272 305 P C -0.415 176.831 177.300 -0.090 0.000 1.248 305 P CA -0.277 62.760 63.100 -0.105 0.000 0.799 305 P CB 0.563 32.104 31.700 -0.265 0.000 0.997 306 Q N 0.116 119.851 119.800 -0.107 0.000 2.235 306 Q HA 0.492 2.554 4.340 -3.796 0.000 0.250 306 Q C -0.706 175.217 176.000 -0.129 0.000 0.909 306 Q CA -0.563 55.189 55.803 -0.085 0.000 0.910 306 Q CB 0.920 29.623 28.738 -0.058 0.000 1.223 306 Q HN 0.331 nan 8.270 nan 0.000 0.432 307 V N 0.072 119.928 119.914 -0.096 0.000 3.164 307 V HA 0.601 2.444 4.120 -3.796 0.000 0.313 307 V C -0.602 175.454 176.094 -0.063 0.000 1.188 307 V CA -0.438 61.803 62.300 -0.098 0.000 1.058 307 V CB 2.195 33.983 31.823 -0.058 0.000 1.110 307 V HN 0.806 nan 8.190 nan 0.000 0.453 308 D N 0.244 120.614 120.400 -0.048 0.000 2.324 308 D HA 0.309 2.672 4.640 -3.796 0.000 0.212 308 D C -0.004 176.279 176.300 -0.028 0.000 0.984 308 D CA 0.866 54.850 54.000 -0.028 0.000 0.885 308 D CB 0.424 41.215 40.800 -0.015 0.000 0.996 308 D HN 0.437 nan 8.370 nan 0.000 0.505 309 L N 0.587 121.785 121.223 -0.043 0.000 2.436 309 L HA 0.501 2.564 4.340 -3.796 0.000 0.268 309 L C -1.588 175.218 176.870 -0.105 0.000 0.974 309 L CA -0.893 53.910 54.840 -0.061 0.000 0.826 309 L CB 2.217 44.246 42.059 -0.050 0.000 1.291 309 L HN -0.285 nan 8.230 nan 0.000 0.406 310 V N 5.272 125.101 119.914 -0.142 0.000 2.495 310 V HA 0.637 2.480 4.120 -3.796 0.000 0.298 310 V C -0.649 175.305 176.094 -0.234 0.000 1.031 310 V CA -0.669 61.502 62.300 -0.215 0.000 0.871 310 V CB 1.951 33.628 31.823 -0.244 0.000 0.988 310 V HN 0.519 nan 8.190 nan 0.000 0.432 311 V N 4.210 123.979 119.914 -0.243 0.000 2.448 311 V HA 0.405 2.247 4.120 -3.796 0.000 0.295 311 V C -0.272 175.724 176.094 -0.163 0.000 1.025 311 V CA -0.746 61.456 62.300 -0.164 0.000 0.859 311 V CB 1.544 33.316 31.823 -0.086 0.000 0.988 311 V HN 0.819 nan 8.190 nan 0.000 0.431 312 H N 5.125 124.230 119.070 0.059 0.000 3.014 312 H HA 0.105 2.384 4.556 -3.796 0.000 0.266 312 H C 0.574 175.974 175.328 0.120 0.000 1.455 312 H CA 0.063 56.181 56.048 0.117 0.000 1.402 312 H CB 0.418 30.229 29.762 0.081 0.000 1.626 312 H HN 0.811 nan 8.280 nan 0.000 0.520 313 Y N 3.260 123.623 120.300 0.106 0.000 2.165 313 Y HA -0.196 2.076 4.550 -3.797 0.000 0.286 313 Y C 0.394 176.351 175.900 0.095 0.000 1.155 313 Y CA 1.363 59.504 58.100 0.069 0.000 1.164 313 Y CB 0.435 38.913 38.460 0.031 0.000 0.978 313 Y HN 0.237 nan 8.280 nan 0.000 0.513 314 R N 0.898 121.613 120.500 0.358 0.000 2.468 314 R HA 0.292 2.354 4.340 -3.796 0.000 0.302 314 R C -0.679 175.746 176.300 0.208 0.000 1.041 314 R CA -0.532 55.720 56.100 0.254 0.000 0.899 314 R CB 1.170 31.630 30.300 0.266 0.000 1.167 314 R HN 0.182 nan 8.270 nan 0.000 0.483 315 M N 2.275 121.972 119.600 0.162 0.000 2.233 315 M HA 0.126 2.329 4.480 -3.796 0.000 0.307 315 M C -1.854 174.509 176.300 0.104 0.000 1.026 315 M CA -0.857 54.518 55.300 0.126 0.000 1.109 315 M CB -0.391 32.264 32.600 0.091 0.000 1.463 315 M HN 0.206 nan 8.290 nan 0.000 0.436 316 P HA 0.027 nan 4.420 nan 0.000 0.267 316 P C -0.717 176.609 177.300 0.044 0.000 1.205 316 P CA 0.099 63.234 63.100 0.057 0.000 0.765 316 P CB 0.419 32.152 31.700 0.055 0.000 0.828 317 D N 1.789 122.211 120.400 0.037 0.000 2.348 317 D HA -0.043 2.320 4.640 -3.796 0.000 0.216 317 D C 1.235 177.544 176.300 0.016 0.000 0.970 317 D CA 1.125 55.142 54.000 0.028 0.000 0.889 317 D CB 0.268 41.086 40.800 0.030 0.000 0.912 317 D HN 0.553 nan 8.370 nan 0.000 0.524 318 R N -1.429 119.078 120.500 0.012 0.000 2.734 318 R HA 0.630 2.692 4.340 -3.796 0.000 0.271 318 R C -0.477 175.823 176.300 0.000 0.000 1.021 318 R CA -0.679 55.422 56.100 0.000 0.000 0.893 318 R CB 0.833 31.130 30.300 -0.004 0.000 1.244 318 R HN -0.234 nan 8.270 nan 0.000 0.464 319 A N 0.663 123.475 122.820 -0.015 0.000 2.252 319 A HA -0.002 2.041 4.320 -3.796 0.000 0.207 319 A C 1.224 178.789 177.584 -0.031 0.000 1.194 319 A CA 0.870 52.899 52.037 -0.013 0.000 0.809 319 A CB -0.397 18.573 19.000 -0.050 0.000 0.814 319 A HN 0.779 nan 8.150 nan 0.000 0.482 320 E N -0.350 119.803 120.200 -0.078 0.000 2.166 320 E HA 0.230 2.302 4.350 -3.796 0.000 0.192 320 E C 2.011 178.404 176.600 -0.346 0.000 0.967 320 E CA 0.995 57.260 56.400 -0.226 0.000 0.840 320 E CB -0.192 29.423 29.700 -0.142 0.000 0.795 320 E HN 0.434 nan 8.360 nan 0.000 0.470 321 A N -0.426 122.318 122.820 -0.126 0.000 2.066 321 A HA -0.116 1.926 4.320 -3.796 0.000 0.218 321 A C 1.988 179.533 177.584 -0.065 0.000 1.157 321 A CA 0.952 52.937 52.037 -0.087 0.000 0.670 321 A CB -0.689 18.289 19.000 -0.037 0.000 0.804 321 A HN 0.468 nan 8.150 nan 0.000 0.453 322 Y N -0.092 120.131 120.300 -0.128 0.000 2.220 322 Y HA -0.180 2.092 4.550 -3.796 0.000 0.291 322 Y C 2.456 178.341 175.900 -0.025 0.000 1.129 322 Y CA 2.168 60.213 58.100 -0.091 0.000 1.161 322 Y CB -0.090 38.300 38.460 -0.118 0.000 0.997 322 Y HN 0.332 nan 8.280 nan 0.000 0.522 323 Q N -0.442 119.439 119.800 0.134 0.000 2.123 323 Q HA -0.138 1.925 4.340 -3.796 0.000 0.199 323 Q C 1.842 177.857 176.000 0.024 0.000 0.966 323 Q CA 2.143 58.013 55.803 0.113 0.000 0.845 323 Q CB -0.246 28.522 28.738 0.050 0.000 0.907 323 Q HN 0.733 nan 8.270 nan 0.000 0.439 324 H N -1.565 117.504 119.070 -0.002 0.000 2.428 324 H HA 0.063 2.341 4.556 -3.796 0.000 0.296 324 H C 1.949 177.202 175.328 -0.124 0.000 1.062 324 H CA 0.610 56.628 56.048 -0.050 0.000 1.350 324 H CB 0.300 30.026 29.762 -0.061 0.000 1.403 324 H HN 0.077 nan 8.280 nan 0.000 0.533 325 R N 0.382 120.805 120.500 -0.128 0.000 2.064 325 R HA -0.069 1.993 4.340 -3.796 0.000 0.228 325 R C 2.575 178.832 176.300 -0.071 0.000 1.144 325 R CA 1.595 57.534 56.100 -0.267 0.000 0.932 325 R CB -0.187 29.928 30.300 -0.308 0.000 0.833 325 R HN 0.121 nan 8.270 nan 0.000 0.429 326 S N 0.043 115.595 115.700 -0.247 0.000 2.368 326 S HA -0.096 2.097 4.470 -3.796 0.000 0.225 326 S C 2.018 176.347 174.600 -0.452 0.000 1.030 326 S CA 1.200 59.141 58.200 -0.431 0.000 0.999 326 S CB -0.503 62.297 63.200 -0.667 0.000 0.844 326 S HN 0.630 nan 8.310 nan 0.000 0.459 327 G N 2.003 110.680 108.800 -0.206 0.000 2.532 327 G HA2 -0.254 1.428 3.960 -3.796 0.000 0.222 327 G HA3 -0.254 1.428 3.960 -3.796 0.000 0.222 327 G C 1.002 175.857 174.900 -0.075 0.000 1.102 327 G CA 0.421 45.478 45.100 -0.070 0.000 0.742 327 G HN 0.483 nan 8.290 nan 0.000 0.577 328 R N 0.218 120.677 120.500 -0.068 0.000 3.385 328 R HA 0.236 2.299 4.340 -3.796 0.000 0.236 328 R C 0.207 176.467 176.300 -0.066 0.000 1.663 328 R CA 0.138 56.225 56.100 -0.021 0.000 1.444 328 R CB -0.287 30.046 30.300 0.054 0.000 1.218 328 R HN 0.192 nan 8.270 nan 0.000 0.575 336 G N -1.280 107.593 108.800 0.122 0.000 3.262 336 G HA2 0.750 2.432 3.960 -3.796 0.000 0.229 336 G HA3 0.750 2.432 3.960 -3.796 0.000 0.229 336 G C -0.964 174.002 174.900 0.111 0.000 1.280 336 G CA -0.693 44.453 45.100 0.078 0.000 0.951 336 G HN 0.652 nan 8.290 nan 0.000 0.589 337 R N -1.054 119.477 120.500 0.052 0.000 2.628 337 R HA 0.622 2.684 4.340 -3.796 0.000 0.288 337 R C -1.762 174.542 176.300 0.008 0.000 0.980 337 R CA -0.399 55.742 56.100 0.067 0.000 0.891 337 R CB 2.277 32.607 30.300 0.050 0.000 1.188 337 R HN 0.351 nan 8.270 nan 0.000 0.450 338 V N 4.406 124.354 119.914 0.057 0.000 2.540 338 V HA 0.551 2.394 4.120 -3.796 0.000 0.302 338 V C -0.785 175.331 176.094 0.036 0.000 1.035 338 V CA -0.761 61.536 62.300 -0.004 0.000 0.873 338 V CB 1.944 33.756 31.823 -0.019 0.000 0.992 338 V HN 0.509 nan 8.190 nan 0.000 0.428 339 V N 5.829 125.755 119.914 0.020 0.000 2.638 339 V HA 0.540 2.382 4.120 -3.796 0.000 0.306 339 V C -0.864 175.297 176.094 0.111 0.000 1.052 339 V CA -0.536 61.790 62.300 0.044 0.000 0.885 339 V CB 1.918 33.749 31.823 0.013 0.000 0.999 339 V HN 0.658 nan 8.190 nan 0.000 0.424 340 L N 5.573 126.862 121.223 0.109 0.000 2.307 340 L HA 0.577 2.639 4.340 -3.796 0.000 0.284 340 L C -0.332 176.624 176.870 0.143 0.000 1.023 340 L CA -0.121 54.816 54.840 0.162 0.000 0.810 340 L CB 1.449 43.566 42.059 0.096 0.000 1.231 340 L HN 0.391 nan 8.230 nan 0.000 0.423 341 L N 4.402 125.681 121.223 0.093 0.000 2.275 341 L HA 0.519 2.582 4.340 -3.796 0.000 0.288 341 L C -0.848 176.068 176.870 0.077 0.000 1.046 341 L CA -0.748 54.084 54.840 -0.014 0.000 0.805 341 L CB 0.701 42.649 42.059 -0.186 0.000 1.193 341 L HN 0.616 nan 8.230 nan 0.000 0.426 342 Y N 0.893 121.173 120.300 -0.033 0.000 2.553 342 Y HA 0.866 3.139 4.550 -3.796 0.000 0.347 342 Y C 0.094 175.973 175.900 -0.034 0.000 1.019 342 Y CA -0.560 57.528 58.100 -0.020 0.000 1.032 342 Y CB 2.056 40.523 38.460 0.012 0.000 1.284 342 Y HN 0.483 nan 8.280 nan 0.000 0.466 343 G N 0.229 109.050 108.800 0.035 0.000 3.791 343 G HA2 0.104 1.786 3.960 -3.796 0.000 0.176 343 G HA3 0.104 1.786 3.960 -3.796 0.000 0.176 343 G C -2.138 172.780 174.900 0.030 0.000 1.298 343 G CA -0.336 44.724 45.100 -0.066 0.000 0.928 343 G HN 0.460 nan 8.290 nan 0.000 0.546 344 P HA 0.067 nan 4.420 nan 0.000 0.315 344 P C -0.051 177.279 177.300 0.050 0.000 1.496 344 P CA 0.470 63.588 63.100 0.030 0.000 0.738 344 P CB -0.535 31.184 31.700 0.030 0.000 1.575 345 R N -1.993 118.555 120.500 0.080 0.000 3.418 345 R HA -0.193 1.870 4.340 -3.796 0.000 0.274 345 R C 0.160 176.505 176.300 0.076 0.000 1.108 345 R CA 0.375 56.525 56.100 0.083 0.000 0.741 345 R CB -2.576 27.749 30.300 0.042 0.000 1.223 345 R HN 0.442 nan 8.270 nan 0.000 0.434 346 E N 0.397 120.668 120.200 0.119 0.000 2.512 346 E HA -0.035 2.037 4.350 -3.796 0.000 0.195 346 E C 1.412 178.002 176.600 -0.017 0.000 1.083 346 E CA -0.048 56.394 56.400 0.070 0.000 0.873 346 E CB 0.072 29.841 29.700 0.115 0.000 0.897 346 E HN 0.321 nan 8.360 nan 0.000 0.514 347 R N 0.529 121.003 120.500 -0.043 0.000 2.133 347 R HA -0.178 1.884 4.340 -3.796 0.000 0.247 347 R C 2.053 178.260 176.300 -0.155 0.000 1.151 347 R CA 1.365 57.347 56.100 -0.197 0.000 0.971 347 R CB -0.184 30.052 30.300 -0.107 0.000 0.866 347 R HN 0.169 nan 8.270 nan 0.000 0.447 348 R N 0.293 120.744 120.500 -0.082 0.000 2.092 348 R HA -0.094 1.968 4.340 -3.796 0.000 0.231 348 R C 1.643 177.899 176.300 -0.074 0.000 1.119 348 R CA 1.458 57.514 56.100 -0.072 0.000 0.970 348 R CB -0.181 30.093 30.300 -0.044 0.000 0.864 348 R HN 0.251 nan 8.270 nan 0.000 0.440 349 D N 0.333 120.700 120.400 -0.056 0.000 2.144 349 D HA -0.119 2.243 4.640 -3.796 0.000 0.199 349 D C 1.948 178.215 176.300 -0.054 0.000 0.984 349 D CA 0.818 54.794 54.000 -0.039 0.000 0.834 349 D CB -0.292 40.504 40.800 -0.007 0.000 0.955 349 D HN -0.019 nan 8.370 nan 0.000 0.465 350 V N 1.953 121.812 119.914 -0.091 0.000 2.237 350 V HA -0.240 1.602 4.120 -3.796 0.000 0.245 350 V C 2.319 178.337 176.094 -0.127 0.000 1.046 350 V CA 2.179 64.422 62.300 -0.094 0.000 1.007 350 V CB -0.676 30.993 31.823 -0.256 0.000 0.638 350 V HN 0.382 nan 8.190 nan 0.000 0.445 351 E N 0.824 120.927 120.200 -0.162 0.000 2.418 351 E HA -0.055 2.017 4.350 -3.796 0.000 0.197 351 E C 1.976 178.476 176.600 -0.166 0.000 1.026 351 E CA 1.035 57.324 56.400 -0.185 0.000 0.862 351 E CB -0.225 29.381 29.700 -0.156 0.000 0.799 351 E HN 0.551 nan 8.360 nan 0.000 0.518 352 A N 1.967 124.711 122.820 -0.126 0.000 1.897 352 A HA -0.011 2.032 4.320 -3.796 0.000 0.215 352 A C 2.244 179.749 177.584 -0.131 0.000 1.181 352 A CA 0.538 52.510 52.037 -0.108 0.000 0.620 352 A CB -0.534 18.422 19.000 -0.073 0.000 0.821 352 A HN 0.224 nan 8.150 nan 0.000 0.443 353 L N -0.163 120.983 121.223 -0.129 0.000 2.012 353 L HA -0.240 1.822 4.340 -3.796 0.000 0.210 353 L C 2.642 179.342 176.870 -0.284 0.000 1.073 353 L CA 1.891 56.641 54.840 -0.149 0.000 0.748 353 L CB -0.643 41.388 42.059 -0.047 0.000 0.891 353 L HN 0.531 nan 8.230 nan 0.000 0.431 354 E N -0.395 119.552 120.200 -0.422 0.000 2.160 354 E HA -0.245 1.828 4.350 -3.796 0.000 0.195 354 E C 2.258 178.650 176.600 -0.347 0.000 0.991 354 E CA 0.932 56.971 56.400 -0.601 0.000 0.810 354 E CB -0.120 29.191 29.700 -0.649 0.000 0.742 354 E HN 0.489 nan 8.360 nan 0.000 0.466 355 R N 0.610 120.966 120.500 -0.240 0.000 2.062 355 R HA -0.027 2.035 4.340 -3.796 0.000 0.229 355 R C 2.495 178.709 176.300 -0.143 0.000 1.128 355 R CA 1.003 57.004 56.100 -0.167 0.000 0.960 355 R CB -0.328 29.897 30.300 -0.126 0.000 0.855 355 R HN 0.114 nan 8.270 nan 0.000 0.432 356 A N 0.807 123.544 122.820 -0.138 0.000 1.851 356 A HA -0.159 1.883 4.320 -3.796 0.000 0.216 356 A C 2.325 179.839 177.584 -0.116 0.000 1.195 356 A CA 1.803 53.774 52.037 -0.109 0.000 0.622 356 A CB -0.832 18.110 19.000 -0.098 0.000 0.831 356 A HN 0.132 nan 8.150 nan 0.000 0.444 357 V N -0.704 119.111 119.914 -0.166 0.000 2.515 357 V HA 0.078 1.921 4.120 -3.796 0.000 0.250 357 V C 1.996 178.008 176.094 -0.137 0.000 1.058 357 V CA 1.533 63.739 62.300 -0.157 0.000 1.064 357 V CB -1.429 30.238 31.823 -0.260 0.000 0.675 357 V HN 1.381 nan 8.190 nan 0.000 0.461 358 G N 0.612 109.306 108.800 -0.176 0.000 2.147 358 G HA2 -0.271 1.412 3.960 -3.796 0.000 0.244 358 G HA3 -0.271 1.412 3.960 -3.796 0.000 0.244 358 G C 0.119 174.917 174.900 -0.170 0.000 1.005 358 G CA 0.241 45.251 45.100 -0.150 0.000 0.713 358 G HN 0.545 nan 8.290 nan 0.000 0.515 359 R N -0.610 119.730 120.500 -0.266 0.000 2.750 359 R HA 0.564 2.626 4.340 -3.796 0.000 0.281 359 R C -0.254 175.760 176.300 -0.476 0.000 0.972 359 R CA -1.138 54.802 56.100 -0.267 0.000 0.912 359 R CB 1.233 31.456 30.300 -0.128 0.000 1.187 359 R HN 0.122 nan 8.270 nan 0.000 0.464 360 R N 2.940 123.263 120.500 -0.295 0.000 2.287 360 R HA 0.214 2.276 4.340 -3.796 0.000 0.327 360 R C -0.409 175.815 176.300 -0.126 0.000 1.109 360 R CA -0.173 55.758 56.100 -0.282 0.000 1.013 360 R CB -0.171 30.046 30.300 -0.138 0.000 1.126 360 R HN 0.487 nan 8.270 nan 0.000 0.503 361 F N 2.547 122.483 119.950 -0.024 0.000 2.571 361 F HA 0.019 2.268 4.527 -3.796 0.000 0.384 361 F C 1.519 177.339 175.800 0.033 0.000 1.058 361 F CA -0.393 57.622 58.000 0.025 0.000 1.200 361 F CB 0.466 39.491 39.000 0.041 0.000 1.077 361 F HN 0.240 nan 8.300 nan 0.000 0.558 362 K N 4.741 125.284 120.400 0.238 0.000 2.453 362 K HA 0.056 2.098 4.320 -3.796 0.000 0.280 362 K C -0.089 176.614 176.600 0.171 0.000 1.045 362 K CA -0.518 55.862 56.287 0.154 0.000 1.059 362 K CB 0.516 33.089 32.500 0.121 0.000 0.901 362 K HN 0.577 nan 8.250 nan 0.000 0.475 363 R N 3.040 123.627 120.500 0.146 0.000 2.442 363 R HA 0.190 2.253 4.340 -3.796 0.000 0.291 363 R C -1.152 175.225 176.300 0.129 0.000 1.069 363 R CA -0.167 56.034 56.100 0.168 0.000 1.022 363 R CB 0.835 31.229 30.300 0.156 0.000 0.976 363 R HN 0.473 nan 8.270 nan 0.000 0.443 364 V N 4.650 124.638 119.914 0.124 0.000 2.789 364 V HA 0.287 2.130 4.120 -3.796 0.000 0.311 364 V C -0.419 175.706 176.094 0.052 0.000 1.073 364 V CA -1.225 61.123 62.300 0.081 0.000 0.921 364 V CB 2.145 34.011 31.823 0.073 0.000 1.009 364 V HN 0.807 nan 8.190 nan 0.000 0.426 365 N N 3.909 122.632 118.700 0.038 0.000 2.454 365 N HA 0.242 2.704 4.740 -3.796 0.000 0.254 365 N C -2.398 173.114 175.510 0.004 0.000 1.228 365 N CA -0.690 52.369 53.050 0.015 0.000 0.900 365 N CB 0.775 39.274 38.487 0.020 0.000 1.089 365 N HN 0.426 nan 8.380 nan 0.000 0.449 366 P HA 0.305 nan 4.420 nan 0.000 0.274 366 P C -2.506 174.796 177.300 0.002 0.000 1.246 366 P CA -1.115 61.975 63.100 -0.018 0.000 0.795 366 P CB -0.352 31.322 31.700 -0.043 0.000 1.006 367 P HA 0.083 nan 4.420 nan 0.000 0.271 367 P C -0.001 177.312 177.300 0.021 0.000 1.216 367 P CA -0.014 63.103 63.100 0.028 0.000 0.771 367 P CB -0.130 31.599 31.700 0.049 0.000 0.864 368 T N 1.027 115.593 114.554 0.019 0.000 2.903 368 T HA 0.110 2.182 4.350 -3.796 0.000 0.314 368 T C -1.764 172.944 174.700 0.014 0.000 1.078 368 T CA -1.174 60.933 62.100 0.011 0.000 1.114 368 T CB -0.098 68.774 68.868 0.007 0.000 0.987 368 T HN 0.181 nan 8.240 nan 0.000 0.548 369 P HA -0.158 nan 4.420 nan 0.000 0.216 369 P C 1.743 179.042 177.300 -0.001 0.000 1.150 369 P CA 1.142 64.244 63.100 0.003 0.000 0.837 369 P CB 0.028 31.724 31.700 -0.006 0.000 0.786 370 E N 0.675 120.872 120.200 -0.004 0.000 2.051 370 E HA -0.228 1.845 4.350 -3.796 0.000 0.192 370 E C 1.839 178.445 176.600 0.010 0.000 0.991 370 E CA 1.319 57.715 56.400 -0.007 0.000 0.799 370 E CB -1.185 28.509 29.700 -0.010 0.000 0.748 370 E HN 0.361 nan 8.360 nan 0.000 0.449 371 E N 0.908 121.121 120.200 0.022 0.000 2.065 371 E HA -0.177 1.895 4.350 -3.796 0.000 0.201 371 E C 2.364 178.997 176.600 0.055 0.000 1.016 371 E CA 1.868 58.293 56.400 0.042 0.000 0.818 371 E CB -0.153 29.574 29.700 0.045 0.000 0.749 371 E HN 0.088 nan 8.360 nan 0.000 0.453 372 V N 1.537 121.480 119.914 0.048 0.000 2.252 372 V HA -0.309 1.533 4.120 -3.796 0.000 0.249 372 V C 2.419 178.517 176.094 0.008 0.000 1.056 372 V CA 1.767 64.098 62.300 0.052 0.000 1.022 372 V CB -0.583 31.267 31.823 0.046 0.000 0.641 372 V HN 0.299 nan 8.190 nan 0.000 0.445 373 L N -0.349 120.869 121.223 -0.008 0.000 2.012 373 L HA -0.237 1.825 4.340 -3.796 0.000 0.210 373 L C 2.676 179.570 176.870 0.040 0.000 1.073 373 L CA 2.092 56.918 54.840 -0.023 0.000 0.748 373 L CB -0.554 41.477 42.059 -0.046 0.000 0.891 373 L HN 0.396 nan 8.230 nan 0.000 0.431 374 E N 0.057 120.294 120.200 0.061 0.000 2.209 374 E HA -0.214 1.858 4.350 -3.796 0.000 0.196 374 E C 1.985 178.705 176.600 0.199 0.000 0.993 374 E CA 1.308 57.799 56.400 0.151 0.000 0.819 374 E CB 0.023 29.794 29.700 0.117 0.000 0.745 374 E HN 0.441 nan 8.360 nan 0.000 0.477 375 A N 0.588 123.491 122.820 0.137 0.000 1.854 375 A HA -0.158 1.884 4.320 -3.796 0.000 0.214 375 A C 1.978 179.641 177.584 0.131 0.000 1.192 375 A CA 1.589 53.735 52.037 0.182 0.000 0.611 375 A CB -0.385 18.733 19.000 0.198 0.000 0.832 375 A HN 0.165 nan 8.150 nan 0.000 0.442 376 K N -1.047 119.280 120.400 -0.122 0.000 1.988 376 K HA -0.252 1.791 4.320 -3.796 0.000 0.221 376 K C 1.948 178.571 176.600 0.039 0.000 1.053 376 K CA 1.956 58.067 56.287 -0.293 0.000 0.959 376 K CB -0.494 31.799 32.500 -0.345 0.000 0.728 376 K HN 0.753 nan 8.250 nan 0.000 0.447 377 W N 2.132 123.381 121.300 -0.086 0.000 2.280 377 W HA -0.370 1.998 4.660 -3.819 0.000 0.332 377 W C 2.117 178.642 176.519 0.010 0.000 1.300 377 W CA 1.853 59.177 57.345 -0.034 0.000 1.274 377 W CB -0.340 29.101 29.460 -0.031 0.000 1.141 377 W HN 0.156 nan 8.180 nan 0.000 0.474 378 R N -0.782 119.748 120.500 0.050 0.000 2.094 378 R HA -0.228 1.834 4.340 -3.796 0.000 0.239 378 R C 2.459 178.697 176.300 -0.103 0.000 1.137 378 R CA 2.148 58.193 56.100 -0.093 0.000 0.943 378 R CB -1.011 29.317 30.300 0.047 0.000 0.850 378 R HN 0.346 nan 8.270 nan 0.000 0.433 379 H N -0.160 118.881 119.070 -0.048 0.000 2.319 379 H HA -0.172 2.106 4.556 -3.798 0.000 0.299 379 H C 2.140 177.422 175.328 -0.077 0.000 1.092 379 H CA 1.719 57.757 56.048 -0.016 0.000 1.302 379 H CB -0.117 29.694 29.762 0.082 0.000 1.373 379 H HN 0.155 nan 8.280 nan 0.000 0.497 380 L N 1.252 122.490 121.223 0.026 0.000 2.081 380 L HA -0.181 1.882 4.340 -3.796 0.000 0.212 380 L C 2.282 179.042 176.870 -0.184 0.000 1.080 380 L CA 1.252 56.055 54.840 -0.062 0.000 0.754 380 L CB -0.771 41.264 42.059 -0.040 0.000 0.893 380 L HN 0.143 nan 8.230 nan 0.000 0.433 381 L N -0.917 120.097 121.223 -0.348 0.000 2.005 381 L HA -0.141 1.922 4.340 -3.796 0.000 0.207 381 L C 2.655 179.391 176.870 -0.222 0.000 1.072 381 L CA 1.261 55.862 54.840 -0.398 0.000 0.744 381 L CB -0.968 40.740 42.059 -0.585 0.000 0.895 381 L HN 0.317 nan 8.230 nan 0.000 0.433 382 A N -0.120 122.592 122.820 -0.180 0.000 2.024 382 A HA -0.251 1.791 4.320 -3.796 0.000 0.220 382 A C 2.421 179.958 177.584 -0.078 0.000 1.164 382 A CA 1.838 53.801 52.037 -0.123 0.000 0.643 382 A CB -0.624 18.297 19.000 -0.131 0.000 0.806 382 A HN 0.382 nan 8.150 nan 0.000 0.451 383 R N -0.481 119.981 120.500 -0.063 0.000 2.090 383 R HA 0.058 2.121 4.340 -3.796 0.000 0.228 383 R C 1.817 178.100 176.300 -0.029 0.000 1.110 383 R CA 1.018 57.104 56.100 -0.023 0.000 0.973 383 R CB -0.306 29.994 30.300 0.002 0.000 0.869 383 R HN 0.513 nan 8.270 nan 0.000 0.440 384 L N 0.272 121.456 121.223 -0.066 0.000 2.056 384 L HA -0.036 2.026 4.340 -3.796 0.000 0.207 384 L C 2.390 179.231 176.870 -0.047 0.000 1.078 384 L CA 1.107 55.909 54.840 -0.063 0.000 0.749 384 L CB -0.438 41.554 42.059 -0.111 0.000 0.901 384 L HN 0.266 nan 8.230 nan 0.000 0.433 385 A N -0.282 122.501 122.820 -0.061 0.000 2.248 385 A HA -0.107 1.935 4.320 -3.796 0.000 0.210 385 A C 2.101 179.686 177.584 0.002 0.000 1.174 385 A CA 0.914 52.928 52.037 -0.039 0.000 0.750 385 A CB -0.502 18.466 19.000 -0.054 0.000 0.780 385 A HN 0.369 nan 8.150 nan 0.000 0.478 386 R N -0.982 119.526 120.500 0.013 0.000 2.362 386 R HA 0.170 2.232 4.340 -3.796 0.000 0.227 386 R C -0.557 175.778 176.300 0.059 0.000 0.905 386 R CA -0.014 56.104 56.100 0.029 0.000 1.067 386 R CB 0.565 30.877 30.300 0.020 0.000 1.078 386 R HN 0.305 nan 8.270 nan 0.000 0.516 387 V N 3.486 123.456 119.914 0.093 0.000 2.406 387 V HA 0.207 2.050 4.120 -3.796 0.000 0.272 387 V C -2.058 174.153 176.094 0.195 0.000 1.043 387 V CA -2.115 60.273 62.300 0.147 0.000 0.915 387 V CB 1.015 32.953 31.823 0.192 0.000 0.988 387 V HN -0.013 nan 8.190 nan 0.000 0.466 388 P HA -0.008 nan 4.420 nan 0.000 0.267 388 P C 0.973 178.236 177.300 -0.061 0.000 1.201 388 P CA -0.064 63.058 63.100 0.036 0.000 0.775 388 P CB 0.593 32.290 31.700 -0.005 0.000 0.854 389 E N 4.573 124.635 120.200 -0.230 0.000 2.204 389 E HA -0.236 1.836 4.350 -3.796 0.000 0.195 389 E C 1.115 177.312 176.600 -0.671 0.000 0.990 389 E CA 1.759 57.690 56.400 -0.783 0.000 0.821 389 E CB -0.347 29.102 29.700 -0.420 0.000 0.750 389 E HN 0.620 nan 8.360 nan 0.000 0.477 390 K N 0.555 120.764 120.400 -0.320 0.000 2.001 390 K HA -0.119 1.923 4.320 -3.796 0.000 0.208 390 K C 1.842 178.321 176.600 -0.203 0.000 1.048 390 K CA 1.331 57.482 56.287 -0.227 0.000 0.932 390 K CB -0.250 32.170 32.500 -0.133 0.000 0.715 390 K HN -0.114 nan 8.250 nan 0.000 0.437 391 D N 1.016 121.346 120.400 -0.116 0.000 2.108 391 D HA -0.206 2.157 4.640 -3.796 0.000 0.190 391 D C 2.107 178.422 176.300 0.024 0.000 0.995 391 D CA 1.852 55.846 54.000 -0.010 0.000 0.834 391 D CB -0.516 40.348 40.800 0.106 0.000 0.967 391 D HN 0.525 nan 8.370 nan 0.000 0.446 392 Y N 0.604 120.948 120.300 0.074 0.000 2.395 392 Y HA 0.162 2.440 4.550 -3.787 0.000 0.293 392 Y C 2.126 178.066 175.900 0.067 0.000 1.123 392 Y CA 0.665 58.856 58.100 0.152 0.000 1.227 392 Y CB -0.715 37.817 38.460 0.119 0.000 1.012 392 Y HN -0.201 nan 8.280 nan 0.000 0.552 393 R N 0.586 120.929 120.500 -0.263 0.000 2.152 393 R HA -0.056 2.006 4.340 -3.796 0.000 0.232 393 R C 2.080 178.298 176.300 -0.137 0.000 1.117 393 R CA 1.432 57.436 56.100 -0.160 0.000 0.981 393 R CB -0.491 29.628 30.300 -0.301 0.000 0.870 393 R HN 0.404 nan 8.270 nan 0.000 0.451 394 L N -0.565 120.500 121.223 -0.264 0.000 2.263 394 L HA -0.218 1.844 4.340 -3.796 0.000 0.216 394 L C 0.998 177.602 176.870 -0.442 0.000 1.111 394 L CA 1.310 55.883 54.840 -0.445 0.000 0.773 394 L CB -0.083 41.541 42.059 -0.724 0.000 0.906 394 L HN 0.261 nan 8.230 nan 0.000 0.439 395 Y N -2.836 117.533 120.300 0.116 0.000 2.500 395 Y HA 0.121 2.391 4.550 -3.800 0.000 0.246 395 Y C 2.044 177.996 175.900 0.088 0.000 1.146 395 Y CA -0.584 57.632 58.100 0.193 0.000 1.230 395 Y CB -0.118 38.515 38.460 0.289 0.000 1.214 395 Y HN 0.029 nan 8.280 nan 0.000 0.526 396 Q N 0.801 120.675 119.800 0.123 0.000 2.368 396 Q HA -0.170 1.893 4.340 -3.796 0.000 0.210 396 Q C 0.385 176.364 176.000 -0.035 0.000 0.982 396 Q CA 1.619 57.461 55.803 0.066 0.000 0.884 396 Q CB -0.029 28.740 28.738 0.051 0.000 0.933 396 Q HN 0.621 nan 8.270 nan 0.000 0.460 397 D N -0.268 120.024 120.400 -0.179 0.000 2.106 397 D HA -0.091 2.271 4.640 -3.796 0.000 0.203 397 D C 1.635 177.827 176.300 -0.180 0.000 0.977 397 D CA 0.850 54.684 54.000 -0.276 0.000 0.844 397 D CB -0.453 40.046 40.800 -0.502 0.000 1.002 397 D HN 0.156 nan 8.370 nan 0.000 0.461 398 F N 1.617 121.637 119.950 0.117 0.000 2.091 398 F HA -0.094 2.149 4.527 -3.808 0.000 0.299 398 F C 2.527 178.403 175.800 0.126 0.000 1.103 398 F CA 0.916 58.986 58.000 0.117 0.000 1.228 398 F CB -1.242 37.837 39.000 0.132 0.000 0.984 398 F HN -0.061 nan 8.300 nan 0.000 0.477 399 A N 0.531 123.530 122.820 0.298 0.000 1.978 399 A HA -0.054 1.988 4.320 -3.796 0.000 0.220 399 A C 2.593 180.315 177.584 0.229 0.000 1.170 399 A CA 1.802 53.991 52.037 0.253 0.000 0.636 399 A CB -1.606 17.507 19.000 0.187 0.000 0.810 399 A HN 0.427 nan 8.150 nan 0.000 0.448 400 G N -0.295 108.578 108.800 0.122 0.000 2.404 400 G HA2 -0.220 1.462 3.960 -3.796 0.000 0.215 400 G HA3 -0.220 1.462 3.960 -3.796 0.000 0.215 400 G C 1.699 176.688 174.900 0.148 0.000 1.174 400 G CA 0.802 45.953 45.100 0.085 0.000 0.780 400 G HN 0.601 nan 8.290 nan 0.000 0.537 401 R N 0.011 120.595 120.500 0.141 0.000 2.119 401 R HA -0.074 1.989 4.340 -3.796 0.000 0.246 401 R C 2.581 178.974 176.300 0.155 0.000 1.146 401 R CA 1.278 57.462 56.100 0.141 0.000 0.962 401 R CB -0.675 29.726 30.300 0.168 0.000 0.863 401 R HN 0.343 nan 8.270 nan 0.000 0.442 402 L N -0.549 120.792 121.223 0.198 0.000 2.005 402 L HA -0.145 1.917 4.340 -3.796 0.000 0.207 402 L C 2.380 179.333 176.870 0.138 0.000 1.072 402 L CA 1.409 56.341 54.840 0.153 0.000 0.744 402 L CB -0.494 41.665 42.059 0.167 0.000 0.895 402 L HN 0.058 nan 8.230 nan 0.000 0.433 403 F N -0.039 119.935 119.950 0.040 0.000 2.126 403 F HA -0.280 4.262 4.527 0.025 0.000 0.299 403 F C 2.576 178.391 175.800 0.024 0.000 1.096 403 F CA 1.132 59.149 58.000 0.030 0.000 1.255 403 F CB -0.476 38.542 39.000 0.029 0.000 0.997 403 F HN 0.058 nan 8.300 nan 0.000 0.479 404 A N 0.267 123.216 122.820 0.215 0.000 1.849 404 A HA -0.239 1.803 4.320 -3.796 0.000 0.217 404 A C 1.906 179.535 177.584 0.074 0.000 1.202 404 A CA 1.925 54.036 52.037 0.122 0.000 0.629 404 A CB -0.927 18.131 19.000 0.097 0.000 0.834 404 A HN 0.435 nan 8.150 nan 0.000 0.447 405 E N -0.573 119.664 120.200 0.062 0.000 2.526 405 E HA 0.185 2.257 4.350 -3.796 0.000 0.198 405 E C 0.949 177.553 176.600 0.006 0.000 1.091 405 E CA 0.277 56.697 56.400 0.032 0.000 0.880 405 E CB -0.510 29.210 29.700 0.034 0.000 0.873 405 E HN 0.803 nan 8.360 nan 0.000 0.527 406 G N 2.903 111.697 108.800 -0.009 0.000 2.356 406 G HA2 -0.311 1.372 3.960 -3.796 0.000 0.296 406 G HA3 -0.311 1.372 3.960 -3.796 0.000 0.296 406 G C 0.143 174.999 174.900 -0.073 0.000 1.022 406 G CA 0.036 45.100 45.100 -0.060 0.000 0.961 406 G HN 0.134 nan 8.290 nan 0.000 0.510 407 R N 0.226 120.686 120.500 -0.066 0.000 3.710 407 R HA 0.256 2.318 4.340 -3.796 0.000 0.201 407 R C 1.502 177.749 176.300 -0.087 0.000 1.641 407 R CA -0.060 56.007 56.100 -0.055 0.000 1.390 407 R CB 0.218 30.505 30.300 -0.021 0.000 1.341 407 R HN 0.298 nan 8.270 nan 0.000 0.728 408 V N 1.121 120.973 119.914 -0.104 0.000 2.548 408 V HA -0.215 1.627 4.120 -3.796 0.000 0.249 408 V C 1.540 177.582 176.094 -0.086 0.000 1.055 408 V CA 1.525 63.753 62.300 -0.121 0.000 1.065 408 V CB -0.136 31.613 31.823 -0.123 0.000 0.681 408 V HN 0.407 nan 8.190 nan 0.000 0.462 409 E N 0.717 120.878 120.200 -0.066 0.000 2.058 409 E HA -0.183 1.889 4.350 -3.796 0.000 0.194 409 E C 2.139 178.712 176.600 -0.046 0.000 0.997 409 E CA 1.430 57.798 56.400 -0.053 0.000 0.801 409 E CB -0.851 28.823 29.700 -0.042 0.000 0.746 409 E HN 0.410 nan 8.360 nan 0.000 0.450 410 V N 0.658 120.548 119.914 -0.041 0.000 2.287 410 V HA -0.252 1.591 4.120 -3.796 0.000 0.248 410 V C 2.277 178.354 176.094 -0.028 0.000 1.053 410 V CA 1.533 63.815 62.300 -0.030 0.000 1.027 410 V CB -0.567 31.245 31.823 -0.019 0.000 0.646 410 V HN 0.145 nan 8.190 nan 0.000 0.447 411 V N 0.270 120.162 119.914 -0.037 0.000 2.332 411 V HA -0.297 1.545 4.120 -3.796 0.000 0.248 411 V C 2.725 178.804 176.094 -0.024 0.000 1.055 411 V CA 2.086 64.371 62.300 -0.025 0.000 1.038 411 V CB -1.175 30.616 31.823 -0.053 0.000 0.651 411 V HN 0.573 nan 8.190 nan 0.000 0.450 412 A N 0.065 122.859 122.820 -0.044 0.000 1.865 412 A HA -0.219 1.823 4.320 -3.796 0.000 0.217 412 A C 2.487 180.051 177.584 -0.033 0.000 1.191 412 A CA 2.526 54.534 52.037 -0.047 0.000 0.623 412 A CB -1.076 17.888 19.000 -0.061 0.000 0.826 412 A HN 0.617 nan 8.150 nan 0.000 0.444 413 A N -0.135 122.665 122.820 -0.032 0.000 1.869 413 A HA -0.214 1.828 4.320 -3.796 0.000 0.218 413 A C 2.198 179.769 177.584 -0.021 0.000 1.203 413 A CA 1.894 53.915 52.037 -0.027 0.000 0.638 413 A CB -0.948 18.036 19.000 -0.027 0.000 0.831 413 A HN 0.537 nan 8.150 nan 0.000 0.450 414 L N -0.993 120.221 121.223 -0.016 0.000 1.997 414 L HA -0.298 1.764 4.340 -3.796 0.000 0.216 414 L C 2.700 179.570 176.870 -0.000 0.000 1.074 414 L CA 1.873 56.707 54.840 -0.010 0.000 0.763 414 L CB -0.836 41.223 42.059 -0.000 0.000 0.890 414 L HN 0.422 nan 8.230 nan 0.000 0.434 415 L N -0.466 120.765 121.223 0.013 0.000 2.013 415 L HA -0.271 1.791 4.340 -3.796 0.000 0.212 415 L C 2.913 179.785 176.870 0.003 0.000 1.073 415 L CA 1.489 56.346 54.840 0.029 0.000 0.753 415 L CB -0.872 41.210 42.059 0.038 0.000 0.890 415 L HN 0.294 nan 8.230 nan 0.000 0.432 416 A N -0.005 122.807 122.820 -0.014 0.000 1.884 416 A HA -0.256 1.787 4.320 -3.796 0.000 0.219 416 A C 2.140 179.712 177.584 -0.019 0.000 1.197 416 A CA 2.041 54.065 52.037 -0.022 0.000 0.637 416 A CB -0.900 18.084 19.000 -0.027 0.000 0.827 416 A HN 0.292 nan 8.150 nan 0.000 0.450 417 L N -1.065 120.148 121.223 -0.018 0.000 2.137 417 L HA -0.194 1.868 4.340 -3.796 0.000 0.213 417 L C 2.384 179.244 176.870 -0.017 0.000 1.085 417 L CA 1.591 56.420 54.840 -0.019 0.000 0.760 417 L CB -0.686 41.359 42.059 -0.022 0.000 0.893 417 L HN 0.399 nan 8.230 nan 0.000 0.434 418 L N -2.304 118.911 121.223 -0.014 0.000 2.253 418 L HA -0.001 2.061 4.340 -3.796 0.000 0.205 418 L C 1.828 178.682 176.870 -0.026 0.000 1.078 418 L CA 0.329 55.160 54.840 -0.014 0.000 0.805 418 L CB -0.042 42.016 42.059 -0.002 0.000 0.963 418 L HN 0.123 nan 8.230 nan 0.000 0.459 419 L N -0.813 120.392 121.223 -0.031 0.000 2.607 419 L HA 0.282 2.345 4.340 -3.796 0.000 0.228 419 L C 1.251 178.085 176.870 -0.059 0.000 1.123 419 L CA 0.612 55.413 54.840 -0.065 0.000 0.890 419 L CB -0.161 41.866 42.059 -0.053 0.000 1.103 419 L HN 0.462 nan 8.230 nan 0.000 0.468 420 G N 0.281 109.061 108.800 -0.033 0.000 2.143 420 G HA2 -0.197 1.486 3.960 -3.796 0.000 0.249 420 G HA3 -0.197 1.486 3.960 -3.796 0.000 0.249 420 G C 0.821 175.710 174.900 -0.018 0.000 0.981 420 G CA 0.263 45.352 45.100 -0.019 0.000 0.665 420 G HN 0.687 nan 8.290 nan 0.000 0.528 421 G N 0.054 108.838 108.800 -0.026 0.000 2.581 421 G HA2 0.222 1.904 3.960 -3.796 0.000 0.289 421 G HA3 0.222 1.904 3.960 -3.796 0.000 0.289 421 G C 0.859 175.746 174.900 -0.021 0.000 1.303 421 G CA 1.632 46.717 45.100 -0.026 0.000 0.931 421 G HN 2.171 nan 8.290 nan 0.000 0.555 422 A N 0.967 123.775 122.820 -0.021 0.000 2.524 422 A HA 0.559 2.601 4.320 -3.796 0.000 0.250 422 A C -1.025 176.553 177.584 -0.010 0.000 1.078 422 A CA 0.364 52.390 52.037 -0.018 0.000 0.761 422 A CB -0.468 18.520 19.000 -0.020 0.000 1.012 422 A HN 0.780 nan 8.150 nan 0.000 0.500 423 P HA 0.532 nan 4.420 nan 0.000 0.281 423 P C -0.228 177.072 177.300 -0.000 0.000 1.249 423 P CA -0.355 62.746 63.100 0.002 0.000 0.810 423 P CB 1.114 32.818 31.700 0.005 0.000 1.008 424 A N 1.148 123.971 122.820 0.005 0.000 2.371 424 A HA 0.205 2.247 4.320 -3.796 0.000 0.257 424 A C 0.241 177.830 177.584 0.008 0.000 1.089 424 A CA -0.257 51.782 52.037 0.004 0.000 0.794 424 A CB -0.233 18.773 19.000 0.010 0.000 1.029 424 A HN 0.565 nan 8.150 nan 0.000 0.488 425 E N 1.231 121.433 120.200 0.003 0.000 2.029 425 E HA 0.209 2.282 4.350 -3.796 0.000 0.276 425 E C -0.067 176.559 176.600 0.043 0.000 1.163 425 E CA 0.318 56.727 56.400 0.014 0.000 0.909 425 E CB -0.022 29.679 29.700 0.002 0.000 1.046 425 E HN 0.506 nan 8.360 nan 0.000 0.406 426 R N 2.461 122.994 120.500 0.056 0.000 2.604 426 R HA 0.310 2.372 4.340 -3.796 0.000 0.287 426 R C -0.364 176.004 176.300 0.114 0.000 0.970 426 R CA -0.755 55.398 56.100 0.089 0.000 0.946 426 R CB 1.838 32.172 30.300 0.056 0.000 1.127 426 R HN 0.472 nan 8.270 nan 0.000 0.473 427 S N 1.986 117.791 115.700 0.174 0.000 2.549 427 S HA 0.091 2.284 4.470 -3.796 0.000 0.279 427 S C 1.060 175.684 174.600 0.039 0.000 1.321 427 S CA -0.474 57.812 58.200 0.145 0.000 1.054 427 S CB 0.468 63.753 63.200 0.142 0.000 0.899 427 S HN 0.558 nan 8.310 nan 0.000 0.497 428 L N 4.432 125.654 121.223 -0.002 0.000 2.591 428 L HA 0.198 2.260 4.340 -3.796 0.000 0.228 428 L C 1.232 178.033 176.870 -0.115 0.000 1.133 428 L CA 0.233 55.031 54.840 -0.070 0.000 0.880 428 L CB -0.218 41.781 42.059 -0.100 0.000 1.033 428 L HN 0.690 nan 8.230 nan 0.000 0.450 429 L N -1.441 119.729 121.223 -0.087 0.000 2.537 429 L HA 0.070 2.132 4.340 -3.796 0.000 0.224 429 L C 1.945 178.772 176.870 -0.072 0.000 1.065 429 L CA 0.843 55.623 54.840 -0.100 0.000 0.860 429 L CB 0.192 42.197 42.059 -0.091 0.000 1.086 429 L HN 0.278 nan 8.230 nan 0.000 0.482 430 T N -5.485 109.036 114.554 -0.056 0.000 3.058 430 T HA 0.258 2.331 4.350 -3.796 0.000 0.278 430 T C 1.437 176.134 174.700 -0.005 0.000 0.974 430 T CA 0.435 62.510 62.100 -0.041 0.000 0.893 430 T CB 0.889 69.714 68.868 -0.072 0.000 1.138 430 T HN 0.244 nan 8.240 nan 0.000 0.529 431 G N 1.700 110.500 108.800 -0.001 0.000 2.186 431 G HA2 -0.327 1.356 3.960 -3.796 0.000 0.266 431 G HA3 -0.327 1.356 3.960 -3.796 0.000 0.266 431 G C -0.107 174.827 174.900 0.057 0.000 0.982 431 G CA 0.736 45.845 45.100 0.016 0.000 0.670 431 G HN 0.894 nan 8.290 nan 0.000 0.533 432 E N 0.734 120.990 120.200 0.092 0.000 2.343 432 E HA 0.460 2.533 4.350 -3.796 0.000 0.269 432 E C 0.532 177.274 176.600 0.236 0.000 1.047 432 E CA -0.463 56.035 56.400 0.164 0.000 0.874 432 E CB 0.433 30.250 29.700 0.195 0.000 1.033 432 E HN 0.600 nan 8.360 nan 0.000 0.409 433 E N 1.184 121.495 120.200 0.185 0.000 2.250 433 E HA 0.496 2.568 4.350 -3.796 0.000 0.269 433 E C 0.389 177.010 176.600 0.035 0.000 1.018 433 E CA -0.427 56.040 56.400 0.112 0.000 0.873 433 E CB 1.225 30.953 29.700 0.047 0.000 1.134 433 E HN 0.758 nan 8.360 nan 0.000 0.403 434 G N 0.385 109.118 108.800 -0.111 0.000 2.141 434 G HA2 -0.241 1.441 3.960 -3.796 0.000 0.242 434 G HA3 -0.241 1.441 3.960 -3.796 0.000 0.242 434 G C -0.948 173.488 174.900 -0.774 0.000 0.982 434 G CA -0.174 44.677 45.100 -0.416 0.000 0.662 434 G HN 0.438 nan 8.290 nan 0.000 0.527 435 W N -0.851 120.472 121.300 0.039 0.000 3.022 435 W HA 0.743 3.126 4.660 -3.796 0.000 0.335 435 W C 0.226 176.787 176.519 0.070 0.000 1.133 435 W CA -1.214 56.167 57.345 0.061 0.000 1.219 435 W CB 1.444 30.938 29.460 0.055 0.000 1.409 435 W HN 0.130 nan 8.180 nan 0.000 0.507 436 R N 1.848 122.573 120.500 0.375 0.000 2.371 436 R HA 0.413 2.475 4.340 -3.796 0.000 0.312 436 R C -0.524 175.962 176.300 0.311 0.000 0.980 436 R CA -0.302 55.945 56.100 0.245 0.000 0.867 436 R CB 1.066 31.467 30.300 0.168 0.000 1.163 436 R HN 0.464 nan 8.270 nan 0.000 0.492 437 T N 4.023 118.688 114.554 0.184 0.000 2.928 437 T HA 0.111 2.184 4.350 -3.796 0.000 0.305 437 T C -0.685 174.110 174.700 0.158 0.000 1.035 437 T CA 0.715 62.942 62.100 0.211 0.000 1.145 437 T CB 0.163 69.087 68.868 0.094 0.000 0.963 437 T HN 0.310 nan 8.240 nan 0.000 0.545 438 Y N 0.838 121.259 120.300 0.200 0.000 2.659 438 Y HA 0.615 2.888 4.550 -3.796 0.000 0.333 438 Y C 0.192 176.217 175.900 0.208 0.000 1.064 438 Y CA -1.306 56.900 58.100 0.177 0.000 1.141 438 Y CB 1.524 40.057 38.460 0.121 0.000 1.316 438 Y HN 0.336 nan 8.280 nan 0.000 0.509 439 K N 1.099 121.651 120.400 0.253 0.000 2.323 439 K HA 0.822 2.864 4.320 -3.796 0.000 0.259 439 K C -1.709 174.931 176.600 0.067 0.000 0.947 439 K CA -0.451 55.850 56.287 0.023 0.000 0.819 439 K CB 1.192 33.666 32.500 -0.044 0.000 1.109 439 K HN 0.665 nan 8.250 nan 0.000 0.429 440 A N 3.045 125.881 122.820 0.027 0.000 2.335 440 A HA 0.620 2.662 4.320 -3.796 0.000 0.304 440 A C -0.795 176.829 177.584 0.067 0.000 1.118 440 A CA -0.541 51.537 52.037 0.069 0.000 0.757 440 A CB 0.755 19.809 19.000 0.091 0.000 1.188 440 A HN 0.793 nan 8.150 nan 0.000 0.460 441 T N -0.396 114.187 114.554 0.047 0.000 2.893 441 T HA 0.911 2.983 4.350 -3.796 0.000 0.291 441 T C -0.083 174.646 174.700 0.048 0.000 1.028 441 T CA -0.198 61.928 62.100 0.044 0.000 0.995 441 T CB 1.919 70.790 68.868 0.006 0.000 1.051 441 T HN 1.993 nan 8.240 nan 0.000 0.470 442 G N 1.362 110.195 108.800 0.056 0.000 2.547 442 G HA2 0.604 2.286 3.960 -3.796 0.000 0.291 442 G HA3 0.604 2.286 3.960 -3.796 0.000 0.291 442 G C -3.401 171.524 174.900 0.042 0.000 1.471 442 G CA -1.155 43.970 45.100 0.042 0.000 0.798 442 G HN 0.698 nan 8.290 nan 0.000 0.504 443 P HA 0.238 nan 4.420 nan 0.000 0.264 443 P C 0.362 177.681 177.300 0.032 0.000 1.193 443 P CA -0.002 63.113 63.100 0.024 0.000 0.763 443 P CB 0.338 32.047 31.700 0.016 0.000 0.810 444 R N -0.080 120.441 120.500 0.035 0.000 3.460 444 R HA -0.223 1.840 4.340 -3.796 0.000 0.254 444 R C -0.036 176.300 176.300 0.059 0.000 1.028 444 R CA 0.118 56.243 56.100 0.041 0.000 0.688 444 R CB -1.937 28.378 30.300 0.026 0.000 1.062 444 R HN 0.351 nan 8.270 nan 0.000 0.463 445 L N 1.150 122.427 121.223 0.089 0.000 2.342 445 L HA 0.141 2.203 4.340 -3.796 0.000 0.285 445 L C 0.638 177.649 176.870 0.235 0.000 1.095 445 L CA 0.402 55.310 54.840 0.114 0.000 0.843 445 L CB 0.949 43.090 42.059 0.137 0.000 1.201 445 L HN 0.260 nan 8.230 nan 0.000 0.445 446 S N 3.545 119.304 115.700 0.098 0.000 2.747 446 S HA 0.386 2.579 4.470 -3.796 0.000 0.300 446 S C 1.029 175.394 174.600 -0.390 0.000 1.121 446 S CA -0.759 57.510 58.200 0.115 0.000 0.995 446 S CB 1.097 64.363 63.200 0.109 0.000 1.113 446 S HN 0.646 nan 8.310 nan 0.000 0.547 447 L N 1.515 122.385 121.223 -0.588 0.000 1.978 447 L HA 0.017 2.079 4.340 -3.796 0.000 0.218 447 L C -0.956 175.699 176.870 -0.358 0.000 1.075 447 L CA 2.145 56.554 54.840 -0.718 0.000 0.767 447 L CB -1.272 40.599 42.059 -0.313 0.000 0.890 447 L HN 0.592 nan 8.230 nan 0.000 0.434 448 P HA -0.217 nan 4.420 nan 0.000 0.216 448 P C 1.294 178.523 177.300 -0.120 0.000 1.150 448 P CA 1.614 64.643 63.100 -0.119 0.000 0.843 448 P CB -0.094 31.567 31.700 -0.067 0.000 0.787 449 R N -0.352 120.072 120.500 -0.126 0.000 2.060 449 R HA -0.105 1.957 4.340 -3.796 0.000 0.225 449 R C 2.175 178.403 176.300 -0.120 0.000 1.155 449 R CA 1.213 57.255 56.100 -0.096 0.000 0.930 449 R CB -1.447 28.814 30.300 -0.065 0.000 0.829 449 R HN -0.061 nan 8.270 nan 0.000 0.433 450 L N 0.997 122.115 121.223 -0.175 0.000 2.082 450 L HA -0.247 1.815 4.340 -3.796 0.000 0.223 450 L C 2.058 178.835 176.870 -0.154 0.000 1.086 450 L CA 1.966 56.695 54.840 -0.184 0.000 0.793 450 L CB -0.640 41.221 42.059 -0.329 0.000 0.896 450 L HN 0.236 nan 8.230 nan 0.000 0.441 451 V N -0.436 119.375 119.914 -0.172 0.000 2.323 451 V HA -0.193 1.649 4.120 -3.796 0.000 0.244 451 V C 2.766 178.812 176.094 -0.080 0.000 1.041 451 V CA 1.531 63.759 62.300 -0.120 0.000 1.025 451 V CB -1.301 30.451 31.823 -0.119 0.000 0.656 451 V HN 0.645 nan 8.190 nan 0.000 0.451 452 A N -0.282 122.493 122.820 -0.075 0.000 1.933 452 A HA -0.143 1.899 4.320 -3.796 0.000 0.218 452 A C 2.236 179.793 177.584 -0.045 0.000 1.175 452 A CA 1.619 53.625 52.037 -0.052 0.000 0.628 452 A CB -0.519 18.454 19.000 -0.046 0.000 0.814 452 A HN 0.490 nan 8.150 nan 0.000 0.444 453 L N -0.855 120.337 121.223 -0.053 0.000 2.046 453 L HA -0.180 1.882 4.340 -3.796 0.000 0.208 453 L C 2.544 179.388 176.870 -0.043 0.000 1.077 453 L CA 1.191 56.004 54.840 -0.044 0.000 0.747 453 L CB -0.481 41.551 42.059 -0.046 0.000 0.896 453 L HN 0.406 nan 8.230 nan 0.000 0.432 454 L N -0.785 120.407 121.223 -0.053 0.000 2.072 454 L HA -0.154 1.908 4.340 -3.796 0.000 0.205 454 L C 2.588 179.437 176.870 -0.034 0.000 1.079 454 L CA 0.858 55.669 54.840 -0.050 0.000 0.752 454 L CB -0.469 41.555 42.059 -0.059 0.000 0.906 454 L HN 0.135 nan 8.230 nan 0.000 0.436 455 K N 0.415 120.796 120.400 -0.030 0.000 2.217 455 K HA -0.005 2.037 4.320 -3.796 0.000 0.202 455 K C 2.061 178.650 176.600 -0.018 0.000 1.051 455 K CA 1.137 57.412 56.287 -0.019 0.000 0.952 455 K CB -0.721 31.768 32.500 -0.019 0.000 0.736 455 K HN 0.341 nan 8.250 nan 0.000 0.453 456 G N 1.177 109.964 108.800 -0.022 0.000 2.422 456 G HA2 -0.207 1.475 3.960 -3.796 0.000 0.218 456 G HA3 -0.207 1.475 3.960 -3.796 0.000 0.218 456 G C 1.266 176.155 174.900 -0.017 0.000 1.140 456 G CA 0.196 45.285 45.100 -0.019 0.000 0.775 456 G HN 0.250 nan 8.290 nan 0.000 0.545 457 Q N 0.332 120.120 119.800 -0.020 0.000 2.282 457 Q HA 0.144 2.207 4.340 -3.796 0.000 0.205 457 Q C 1.483 177.473 176.000 -0.016 0.000 0.915 457 Q CA 0.399 56.190 55.803 -0.019 0.000 0.949 457 Q CB 0.034 28.757 28.738 -0.025 0.000 1.035 457 Q HN 0.482 nan 8.270 nan 0.000 0.484 458 G N 1.537 110.329 108.800 -0.013 0.000 2.356 458 G HA2 -0.279 1.403 3.960 -3.796 0.000 0.296 458 G HA3 -0.279 1.403 3.960 -3.796 0.000 0.296 458 G C -0.048 174.849 174.900 -0.006 0.000 1.022 458 G CA 0.257 45.352 45.100 -0.008 0.000 0.961 458 G HN 0.297 nan 8.290 nan 0.000 0.510 459 L N -1.113 120.107 121.223 -0.005 0.000 2.387 459 L HA 0.660 2.722 4.340 -3.796 0.000 0.266 459 L C 0.620 177.509 176.870 0.032 0.000 1.059 459 L CA -1.033 53.809 54.840 0.003 0.000 0.801 459 L CB 1.276 43.327 42.059 -0.012 0.000 1.223 459 L HN 0.231 nan 8.230 nan 0.000 0.456 460 E N 0.782 121.018 120.200 0.061 0.000 2.115 460 E HA 0.366 2.438 4.350 -3.796 0.000 0.282 460 E C -1.448 175.299 176.600 0.244 0.000 0.987 460 E CA -0.438 56.042 56.400 0.134 0.000 0.797 460 E CB 1.129 30.896 29.700 0.112 0.000 1.086 460 E HN 0.219 nan 8.360 nan 0.000 0.397 461 V N 4.537 124.564 119.914 0.189 0.000 2.398 461 V HA 0.703 2.545 4.120 -3.796 0.000 0.286 461 V C 0.881 176.982 176.094 0.013 0.000 1.026 461 V CA -0.148 62.225 62.300 0.122 0.000 0.868 461 V CB 1.231 33.062 31.823 0.013 0.000 0.982 461 V HN 0.795 nan 8.190 nan 0.000 0.443 462 G N 2.733 111.356 108.800 -0.295 0.000 3.019 462 G HA2 0.400 2.082 3.960 -3.796 0.000 0.152 462 G HA3 0.400 2.082 3.960 -3.796 0.000 0.152 462 G C -0.160 174.466 174.900 -0.458 0.000 1.320 462 G CA -0.773 43.842 45.100 -0.808 0.000 1.013 462 G HN 0.599 nan 8.290 nan 0.000 0.593 463 K N 0.191 120.279 120.400 -0.519 0.000 2.437 463 K HA 0.217 2.259 4.320 -3.796 0.000 0.277 463 K C -0.529 175.994 176.600 -0.128 0.000 1.073 463 K CA 0.302 56.434 56.287 -0.258 0.000 1.105 463 K CB -0.200 32.157 32.500 -0.239 0.000 0.881 463 K HN 0.066 nan 8.250 nan 0.000 0.475 464 V N 4.123 124.001 119.914 -0.060 0.000 2.435 464 V HA 0.747 2.589 4.120 -3.796 0.000 0.290 464 V C -0.049 176.099 176.094 0.090 0.000 1.030 464 V CA -0.426 61.890 62.300 0.027 0.000 0.881 464 V CB 1.124 32.937 31.823 -0.017 0.000 0.983 464 V HN 0.929 nan 8.190 nan 0.000 0.445 465 A N 3.504 126.437 122.820 0.187 0.000 2.479 465 A HA 0.756 2.799 4.320 -3.796 0.000 0.296 465 A C -0.568 177.207 177.584 0.320 0.000 1.121 465 A CA -0.685 51.480 52.037 0.213 0.000 0.743 465 A CB 1.545 20.634 19.000 0.148 0.000 1.323 465 A HN 0.752 nan 8.150 nan 0.000 0.415 466 E N 0.761 121.083 120.200 0.202 0.000 2.229 466 E HA 0.538 2.610 4.350 -3.796 0.000 0.283 466 E C -0.000 176.576 176.600 -0.040 0.000 1.030 466 E CA -0.237 56.132 56.400 -0.052 0.000 0.836 466 E CB 1.117 30.704 29.700 -0.188 0.000 1.068 466 E HN 0.789 nan 8.360 nan 0.000 0.401 467 A N 3.963 126.668 122.820 -0.192 0.000 0.000 467 A HA 0.326 2.369 4.320 -3.796 0.000 0.000 467 A C -0.312 177.161 177.584 -0.185 0.000 0.000 467 A CA -0.610 51.331 52.037 -0.161 0.000 0.000 467 A CB 0.833 19.452 19.000 -0.636 0.000 0.000 467 A HN 0.665 nan 8.150 nan 0.000 0.000 468 E N -0.068 120.063 120.200 -0.116 0.000 1.941 468 E HA 0.443 2.516 4.350 -3.796 0.000 0.275 468 E C 0.655 177.182 176.600 -0.122 0.000 1.113 468 E CA 0.897 57.243 56.400 -0.091 0.000 0.878 468 E CB -0.411 29.276 29.700 -0.022 0.000 1.070 468 E HN 1.492 nan 8.360 nan 0.000 0.399 469 G N 2.393 111.106 108.800 -0.144 0.000 2.134 469 G HA2 -0.026 1.656 3.960 -3.796 0.000 0.209 469 G HA3 -0.026 1.656 3.960 -3.796 0.000 0.209 469 G C 0.478 175.293 174.900 -0.141 0.000 0.993 469 G CA -0.049 44.980 45.100 -0.119 0.000 0.669 469 G HN 1.111 nan 8.290 nan 0.000 0.519 470 G N -1.555 107.102 108.800 -0.239 0.000 2.360 470 G HA2 0.596 2.278 3.960 -3.796 0.000 0.276 470 G HA3 0.596 2.278 3.960 -3.796 0.000 0.276 470 G C -1.245 173.403 174.900 -0.420 0.000 1.256 470 G CA -0.308 44.664 45.100 -0.214 0.000 0.890 470 G HN 0.756 nan 8.290 nan 0.000 0.486 471 F N -0.494 119.382 119.950 -0.125 0.000 2.579 471 F HA 0.744 2.994 4.527 -3.796 0.000 0.324 471 F C -0.544 175.166 175.800 -0.151 0.000 1.058 471 F CA -0.754 57.192 58.000 -0.091 0.000 0.944 471 F CB 1.876 40.864 39.000 -0.020 0.000 1.245 471 F HN 0.358 nan 8.300 nan 0.000 0.477 472 Y N 0.843 121.270 120.300 0.211 0.000 2.334 472 Y HA 0.587 2.859 4.550 -3.796 0.000 0.328 472 Y C -0.251 175.738 175.900 0.148 0.000 1.130 472 Y CA -0.782 57.411 58.100 0.155 0.000 1.163 472 Y CB 1.755 40.274 38.460 0.098 0.000 1.207 472 Y HN 0.315 nan 8.280 nan 0.000 0.471 473 V N 4.567 124.667 119.914 0.309 0.000 2.577 473 V HA 0.291 2.134 4.120 -3.796 0.000 0.294 473 V C -1.329 174.896 176.094 0.219 0.000 1.052 473 V CA -0.799 61.609 62.300 0.180 0.000 0.891 473 V CB 1.018 32.895 31.823 0.089 0.000 1.017 473 V HN 0.720 nan 8.190 nan 0.000 0.436 474 D N 6.145 126.628 120.400 0.138 0.000 2.458 474 D HA 0.422 2.784 4.640 -3.796 0.000 0.243 474 D C -0.059 176.458 176.300 0.363 0.000 1.146 474 D CA 0.829 54.977 54.000 0.246 0.000 0.877 474 D CB 1.045 41.813 40.800 -0.053 0.000 1.176 474 D HN 0.522 nan 8.370 nan 0.000 0.461 475 L N 1.780 123.302 121.223 0.497 0.000 2.257 475 L HA 0.495 2.558 4.340 -3.796 0.000 0.257 475 L C 0.480 177.574 176.870 0.373 0.000 1.033 475 L CA -1.327 53.740 54.840 0.378 0.000 0.835 475 L CB 1.261 43.313 42.059 -0.012 0.000 1.398 475 L HN 0.049 nan 8.230 nan 0.000 0.429 476 R N 1.058 121.623 120.500 0.107 0.000 2.543 476 R HA 0.139 2.201 4.340 -3.796 0.000 0.277 476 R C -1.761 174.556 176.300 0.028 0.000 1.074 476 R CA -2.039 54.005 56.100 -0.094 0.000 1.076 476 R CB 0.029 30.220 30.300 -0.182 0.000 0.993 476 R HN 0.264 nan 8.270 nan 0.000 0.459 477 P HA -0.210 nan 4.420 nan 0.000 0.218 477 P C 0.931 178.249 177.300 0.031 0.000 1.146 477 P CA 1.436 64.551 63.100 0.025 0.000 0.820 477 P CB 0.327 32.009 31.700 -0.031 0.000 0.778 478 E N -0.499 119.701 120.200 -0.000 0.000 2.166 478 E HA 0.071 2.143 4.350 -3.796 0.000 0.192 478 E C 0.957 177.569 176.600 0.020 0.000 0.967 478 E CA 0.168 56.569 56.400 0.002 0.000 0.840 478 E CB -1.064 28.621 29.700 -0.024 0.000 0.795 478 E HN 0.003 nan 8.360 nan 0.000 0.470 479 A N 2.339 125.170 122.820 0.018 0.000 2.587 479 A HA 0.095 2.137 4.320 -3.796 0.000 0.233 479 A C 0.055 177.663 177.584 0.040 0.000 1.049 479 A CA 0.163 52.209 52.037 0.014 0.000 0.754 479 A CB 0.094 19.093 19.000 -0.002 0.000 0.977 479 A HN 0.091 nan 8.150 nan 0.000 0.509 480 R N 2.381 122.893 120.500 0.020 0.000 2.360 480 R HA 0.456 2.518 4.340 -3.796 0.000 0.318 480 R C -2.911 173.391 176.300 0.004 0.000 0.950 480 R CA -1.714 54.406 56.100 0.033 0.000 0.837 480 R CB 1.020 31.338 30.300 0.030 0.000 1.165 480 R HN 0.533 nan 8.270 nan 0.000 0.458 481 P HA 0.363 nan 4.420 nan 0.000 0.285 481 P C -0.825 176.468 177.300 -0.012 0.000 1.448 481 P CA -0.446 62.625 63.100 -0.049 0.000 0.953 481 P CB 1.226 32.836 31.700 -0.152 0.000 1.175 482 E N 2.442 122.635 120.200 -0.012 0.000 2.437 482 E HA 0.265 2.337 4.350 -3.796 0.000 0.238 482 E C -0.859 175.735 176.600 -0.010 0.000 0.969 482 E CA -0.541 55.858 56.400 -0.002 0.000 0.759 482 E CB 2.080 31.782 29.700 0.004 0.000 1.283 482 E HN 0.103 nan 8.360 nan 0.000 0.416 483 V N 1.823 121.729 119.914 -0.013 0.000 2.370 483 V HA 0.397 2.239 4.120 -3.796 0.000 0.283 483 V C 0.530 176.619 176.094 -0.007 0.000 1.023 483 V CA -0.997 61.294 62.300 -0.015 0.000 0.857 483 V CB 1.454 33.262 31.823 -0.024 0.000 0.985 483 V HN 0.698 nan 8.190 nan 0.000 0.443 484 A N 4.124 126.941 122.820 -0.006 0.000 2.584 484 A HA 0.434 2.476 4.320 -3.796 0.000 0.239 484 A C 1.675 179.259 177.584 -0.001 0.000 1.043 484 A CA 0.976 53.012 52.037 -0.002 0.000 0.756 484 A CB -0.561 18.438 19.000 -0.003 0.000 0.963 484 A HN 2.213 nan 8.150 nan 0.000 0.511 485 G N 0.605 109.407 108.800 0.003 0.000 2.328 485 G HA2 -0.208 1.474 3.960 -3.796 0.000 0.256 485 G HA3 -0.208 1.474 3.960 -3.796 0.000 0.256 485 G C 0.179 175.085 174.900 0.009 0.000 1.014 485 G CA 0.660 45.763 45.100 0.005 0.000 0.620 485 G HN 1.438 nan 8.290 nan 0.000 0.530 486 L N 1.269 122.497 121.223 0.007 0.000 2.312 486 L HA 0.707 2.769 4.340 -3.796 0.000 0.281 486 L C 0.582 177.463 176.870 0.018 0.000 1.070 486 L CA -0.842 54.005 54.840 0.011 0.000 0.805 486 L CB 1.196 43.256 42.059 0.001 0.000 1.174 486 L HN 0.176 nan 8.230 nan 0.000 0.434 487 R N 5.681 126.197 120.500 0.027 0.000 2.215 487 R HA 0.437 2.499 4.340 -3.796 0.000 0.337 487 R C -1.577 174.757 176.300 0.055 0.000 1.010 487 R CA -0.481 55.641 56.100 0.035 0.000 0.871 487 R CB 0.431 30.748 30.300 0.029 0.000 1.134 487 R HN 0.644 nan 8.270 nan 0.000 0.477 488 L N 4.627 125.895 121.223 0.075 0.000 2.298 488 L HA 0.396 2.459 4.340 -3.796 0.000 0.284 488 L C -0.353 176.634 176.870 0.195 0.000 1.013 488 L CA -0.369 54.555 54.840 0.139 0.000 0.824 488 L CB 1.674 43.797 42.059 0.106 0.000 1.221 488 L HN 0.510 nan 8.230 nan 0.000 0.418 489 E N 4.169 124.492 120.200 0.205 0.000 2.336 489 E HA 0.560 2.632 4.350 -3.796 0.000 0.267 489 E C -2.609 174.031 176.600 0.067 0.000 0.906 489 E CA -2.131 54.348 56.400 0.131 0.000 0.781 489 E CB 1.704 31.444 29.700 0.065 0.000 1.261 489 E HN 0.239 nan 8.360 nan 0.000 0.436 490 P HA 0.190 nan 4.420 nan 0.000 0.277 490 P C -1.113 176.136 177.300 -0.085 0.000 1.271 490 P CA -0.243 62.663 63.100 -0.323 0.000 0.795 490 P CB 0.641 32.133 31.700 -0.347 0.000 1.101 491 A N 0.000 122.792 122.820 -0.046 0.000 2.254 491 A HA 0.000 2.042 4.320 -3.796 0.000 0.244 491 A CA 0.000 52.073 52.037 0.060 0.000 0.836 491 A CB 0.000 19.099 19.000 0.165 0.000 0.831 491 A HN 0.000 nan 8.150 nan 0.000 0.486