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 3h73_1_A DATA FIRST_RESID 320 DATA SEQUENCE GAALTEKTDI FESGRNGKPN KDGIKSYRIP ALLKTDKGTL IAGADERRLH DATA SEQUENCE SSDWGDIGMV IRRSEDNGKT WGDRVTITNL RDNPKASDPS IGSPVNIDMV DATA SEQUENCE LVQDPETKRI FSIYDMFPEG KGIFGMSSQK EEAYKKIDGK TYQILYREGE DATA SEQUENCE KGAYTIRENG TVYTPDGKAT DYRVVVDPVK PAYSDKGDLY KGNQLLGNIY DATA SEQUENCE FTTNKTSPFR IAKDSYLWMS YSDDDGKTWS APQDITPMVK ADWMKFLGVG DATA SEQUENCE PGTGIVLRNG PHKGRILIPV YTTNNVSHLN GSQSSRIIYS DDHGKTWHAG DATA SEQUENCE EAVNDNRQVD GQKIHSSTMN NRRAQNTEST VVQLNNGDVK LFMRGLTGDL DATA SEQUENCE QVATSKDGGV TWEKDIKRYP QVKDVYVQMS AIHTMHEGKE YIILSNAGGP DATA SEQUENCE KRENGMVHLA RVEENGELTW LKHNPIQKGE FAYNSLQELG NGEYGILYEH DATA SEQUENCE TEKGQNAYTL SFRKFNWDFL SKDL 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 320 G HA2 0.000 nan 3.960 nan 0.000 0.244 320 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 320 G C 0.000 174.949 174.900 0.081 0.000 0.946 320 G CA 0.000 45.136 45.100 0.061 0.000 0.502 321 A N -0.339 122.529 122.820 0.079 0.000 2.531 321 A HA 0.697 5.017 4.320 0.000 0.000 0.236 321 A C 0.771 178.439 177.584 0.140 0.000 1.062 321 A CA 0.934 53.045 52.037 0.125 0.000 0.760 321 A CB 0.385 19.452 19.000 0.112 0.000 0.995 321 A HN 2.379 nan 8.150 nan 0.000 0.501 322 A N 1.793 124.722 122.820 0.181 0.000 2.381 322 A HA 0.645 4.966 4.320 0.000 0.000 0.299 322 A C -1.130 176.488 177.584 0.055 0.000 1.049 322 A CA -0.368 51.736 52.037 0.112 0.000 0.715 322 A CB 1.084 20.141 19.000 0.096 0.000 1.222 322 A HN 1.717 nan 8.150 nan 0.000 0.428 323 L N 2.782 123.983 121.223 -0.037 0.000 2.476 323 L HA 0.639 4.980 4.340 0.000 0.000 0.269 323 L C 0.356 177.168 176.870 -0.097 0.000 0.965 323 L CA 0.180 54.907 54.840 -0.189 0.000 0.845 323 L CB 2.002 43.811 42.059 -0.416 0.000 1.259 323 L HN 0.881 nan 8.230 nan 0.000 0.403 324 T N 0.689 115.199 114.554 -0.074 0.000 2.860 324 T HA 0.405 4.755 4.350 0.000 0.000 0.299 324 T C 0.269 174.955 174.700 -0.023 0.000 1.045 324 T CA -0.531 61.554 62.100 -0.025 0.000 1.071 324 T CB 0.501 69.371 68.868 0.004 0.000 0.985 324 T HN 0.690 nan 8.240 nan 0.000 0.537 325 E N 1.061 121.269 120.200 0.012 0.000 2.390 325 E HA 0.169 4.519 4.350 0.000 0.000 0.261 325 E C 0.282 176.911 176.600 0.047 0.000 1.076 325 E CA -0.681 55.733 56.400 0.024 0.000 0.905 325 E CB 0.581 30.302 29.700 0.035 0.000 0.984 325 E HN 0.692 nan 8.360 nan 0.000 0.427 326 K N 0.821 121.256 120.400 0.059 0.000 2.382 326 K HA 0.123 4.443 4.320 0.000 0.000 0.275 326 K C -0.760 175.885 176.600 0.075 0.000 1.009 326 K CA 0.102 56.439 56.287 0.083 0.000 0.970 326 K CB 0.588 33.156 32.500 0.113 0.000 0.934 326 K HN 0.194 nan 8.250 nan 0.000 0.479 327 T N 3.116 117.722 114.554 0.085 0.000 2.809 327 T HA 0.148 4.498 4.350 0.000 0.000 0.284 327 T C -1.283 173.397 174.700 -0.033 0.000 0.992 327 T CA -0.885 61.260 62.100 0.075 0.000 0.957 327 T CB 1.095 70.078 68.868 0.191 0.000 0.942 327 T HN 0.524 nan 8.240 nan 0.000 0.439 328 D N 3.300 123.655 120.400 -0.074 0.000 2.339 328 D HA 0.179 4.820 4.640 0.000 0.000 0.256 328 D C 0.959 177.073 176.300 -0.311 0.000 1.214 328 D CA -0.468 53.440 54.000 -0.154 0.000 0.877 328 D CB 0.941 41.690 40.800 -0.087 0.000 1.111 328 D HN 0.264 nan 8.370 nan 0.000 0.478 329 I N 0.880 121.159 120.570 -0.485 0.000 2.628 329 I HA 0.056 4.226 4.170 0.000 0.000 0.255 329 I C 0.570 176.071 176.117 -1.028 0.000 1.119 329 I CA 0.618 61.377 61.300 -0.900 0.000 1.448 329 I CB -0.310 36.973 38.000 -1.195 0.000 1.133 329 I HN 0.124 nan 8.210 nan 0.000 0.438 330 F N 1.754 121.408 119.950 -0.494 0.000 2.500 330 F HA 0.397 4.924 4.527 0.000 0.000 0.349 330 F C 0.211 175.768 175.800 -0.404 0.000 1.127 330 F CA -0.883 56.666 58.000 -0.753 0.000 0.998 330 F CB 0.977 39.289 39.000 -1.146 0.000 1.237 330 F HN -0.100 nan 8.300 nan 0.000 0.439 331 E N 1.983 122.148 120.200 -0.059 0.000 2.146 331 E HA 0.389 4.739 4.350 0.000 0.000 0.282 331 E C -0.221 176.535 176.600 0.260 0.000 0.989 331 E CA -0.576 55.878 56.400 0.090 0.000 0.799 331 E CB 1.195 30.914 29.700 0.031 0.000 1.088 331 E HN 0.578 nan 8.360 nan 0.000 0.397 332 S N 1.852 117.676 115.700 0.207 0.000 2.645 332 S HA 0.533 5.003 4.470 0.000 0.000 0.266 332 S C 0.754 175.384 174.600 0.050 0.000 1.258 332 S CA -0.672 57.611 58.200 0.138 0.000 0.990 332 S CB 1.374 64.614 63.200 0.067 0.000 0.967 332 S HN 0.494 nan 8.310 nan 0.000 0.556 333 G N -0.084 108.716 108.800 -0.001 0.000 2.553 333 G HA2 0.556 4.516 3.960 0.000 0.000 0.278 333 G HA3 0.556 4.516 3.960 0.000 0.000 0.278 333 G C -0.336 174.547 174.900 -0.027 0.000 1.349 333 G CA -1.119 43.972 45.100 -0.015 0.000 1.037 333 G HN 1.032 nan 8.290 nan 0.000 0.508 334 R N -2.448 118.034 120.500 -0.030 0.000 2.808 334 R HA 0.508 4.848 4.340 0.000 0.000 0.272 334 R C -0.381 175.895 176.300 -0.040 0.000 0.995 334 R CA -0.779 55.299 56.100 -0.037 0.000 0.917 334 R CB 0.720 31.005 30.300 -0.025 0.000 1.217 334 R HN 0.353 nan 8.270 nan 0.000 0.471 335 N N 0.027 118.699 118.700 -0.045 0.000 2.708 335 N HA -0.200 4.540 4.740 0.000 0.000 0.249 335 N C 0.725 176.208 175.510 -0.046 0.000 1.097 335 N CA 1.912 54.937 53.050 -0.043 0.000 0.710 335 N CB -1.126 37.342 38.487 -0.032 0.000 1.032 335 N HN 1.148 nan 8.380 nan 0.000 0.551 336 G N -1.978 106.788 108.800 -0.057 0.000 2.162 336 G HA2 -0.389 3.571 3.960 0.000 0.000 0.260 336 G HA3 -0.389 3.571 3.960 0.000 0.000 0.260 336 G C 0.078 174.949 174.900 -0.048 0.000 0.976 336 G CA 0.872 45.938 45.100 -0.057 0.000 0.655 336 G HN 0.566 nan 8.290 nan 0.000 0.533 337 K N 0.645 121.019 120.400 -0.043 0.000 2.095 337 K HA 0.544 4.864 4.320 0.000 0.000 0.252 337 K C -2.510 174.064 176.600 -0.042 0.000 0.977 337 K CA -2.099 54.165 56.287 -0.037 0.000 0.900 337 K CB 1.248 33.731 32.500 -0.028 0.000 1.060 337 K HN -0.002 nan 8.250 nan 0.000 0.449 338 P HA -0.018 nan 4.420 nan 0.000 0.274 338 P C -0.852 176.431 177.300 -0.028 0.000 1.237 338 P CA -0.378 62.694 63.100 -0.047 0.000 0.793 338 P CB 0.464 32.137 31.700 -0.045 0.000 0.977 339 N N 0.648 119.336 118.700 -0.021 0.000 2.443 339 N HA 0.104 4.845 4.740 0.000 0.000 0.294 339 N C 1.063 176.580 175.510 0.012 0.000 1.289 339 N CA -0.734 52.321 53.050 0.009 0.000 0.966 339 N CB 0.443 38.958 38.487 0.048 0.000 1.122 339 N HN 0.252 nan 8.380 nan 0.000 0.569 340 K N -1.167 119.248 120.400 0.026 0.000 2.211 340 K HA -0.127 4.193 4.320 0.000 0.000 0.204 340 K C 0.170 176.783 176.600 0.022 0.000 1.047 340 K CA 1.634 57.934 56.287 0.021 0.000 0.935 340 K CB -0.113 32.402 32.500 0.024 0.000 0.728 340 K HN 0.451 nan 8.250 nan 0.000 0.452 341 D N 0.197 120.617 120.400 0.034 0.000 2.340 341 D HA 0.082 4.723 4.640 0.000 0.000 0.217 341 D C 0.660 176.963 176.300 0.004 0.000 1.081 341 D CA 0.763 54.781 54.000 0.030 0.000 0.842 341 D CB 0.812 41.650 40.800 0.063 0.000 0.934 341 D HN 0.540 nan 8.370 nan 0.000 0.511 342 G N 1.507 110.302 108.800 -0.009 0.000 2.136 342 G HA2 -0.280 3.680 3.960 0.000 0.000 0.242 342 G HA3 -0.280 3.680 3.960 0.000 0.000 0.242 342 G C 0.232 175.094 174.900 -0.063 0.000 0.989 342 G CA -0.234 44.847 45.100 -0.030 0.000 0.682 342 G HN 0.360 nan 8.290 nan 0.000 0.522 343 I N -0.018 120.505 120.570 -0.078 0.000 2.354 343 I HA 0.317 4.488 4.170 0.000 0.000 0.292 343 I C 1.366 177.382 176.117 -0.167 0.000 0.989 343 I CA -0.896 60.305 61.300 -0.165 0.000 1.188 343 I CB 1.572 39.421 38.000 -0.252 0.000 1.342 343 I HN -0.041 nan 8.210 nan 0.000 0.457 344 K N 2.475 122.761 120.400 -0.190 0.000 2.116 344 K HA 0.038 4.359 4.320 0.000 0.000 0.203 344 K C 0.744 177.235 176.600 -0.182 0.000 1.052 344 K CA 0.745 56.939 56.287 -0.155 0.000 0.952 344 K CB 0.217 32.635 32.500 -0.136 0.000 0.729 344 K HN 0.608 nan 8.250 nan 0.000 0.446 345 S N -0.765 114.764 115.700 -0.285 0.000 2.569 345 S HA 0.501 4.972 4.470 0.000 0.000 0.280 345 S C -1.863 172.472 174.600 -0.441 0.000 1.111 345 S CA -0.832 57.208 58.200 -0.268 0.000 0.887 345 S CB 0.887 63.953 63.200 -0.224 0.000 1.095 345 S HN 0.080 nan 8.310 nan 0.000 0.476 346 Y N 1.226 121.467 120.300 -0.098 0.000 2.477 346 Y HA 0.740 5.290 4.550 0.000 0.000 0.347 346 Y C 0.585 176.426 175.900 -0.098 0.000 0.981 346 Y CA -0.633 57.390 58.100 -0.129 0.000 1.033 346 Y CB 2.118 40.523 38.460 -0.091 0.000 1.245 346 Y HN 0.710 nan 8.280 nan 0.000 0.455 347 R N 1.811 122.318 120.500 0.012 0.000 2.747 347 R HA 0.518 4.858 4.340 0.000 0.000 0.272 347 R C -1.536 174.698 176.300 -0.110 0.000 1.032 347 R CA -1.082 54.989 56.100 -0.048 0.000 0.896 347 R CB 2.025 32.266 30.300 -0.098 0.000 1.253 347 R HN 0.627 nan 8.270 nan 0.000 0.461 348 I N 0.212 120.683 120.570 -0.164 0.000 7.356 348 I HA -0.138 4.032 4.170 0.000 0.000 0.126 348 I C -2.329 173.794 176.117 0.010 0.000 1.829 348 I CA -0.171 61.091 61.300 -0.063 0.000 2.068 348 I CB -2.069 35.910 38.000 -0.035 0.000 3.620 348 I HN 0.490 nan 8.210 nan 0.000 0.179 349 P HA 0.475 nan 4.420 nan 0.000 0.275 349 P C -0.367 177.007 177.300 0.124 0.000 1.228 349 P CA -0.117 63.024 63.100 0.068 0.000 0.786 349 P CB 2.016 33.762 31.700 0.077 0.000 0.927 350 A N 3.297 126.197 122.820 0.133 0.000 2.381 350 A HA 0.602 4.922 4.320 0.000 0.000 0.299 350 A C -1.514 176.194 177.584 0.205 0.000 1.049 350 A CA -0.640 51.499 52.037 0.170 0.000 0.715 350 A CB 1.056 20.151 19.000 0.158 0.000 1.222 350 A HN 0.505 nan 8.150 nan 0.000 0.428 351 L N 2.807 124.169 121.223 0.231 0.000 2.356 351 L HA 0.865 5.205 4.340 0.000 0.000 0.277 351 L C -1.498 175.526 176.870 0.256 0.000 0.996 351 L CA -0.676 54.324 54.840 0.266 0.000 0.822 351 L CB 1.641 43.889 42.059 0.313 0.000 1.256 351 L HN 0.708 nan 8.230 nan 0.000 0.413 352 L N 4.447 125.822 121.223 0.252 0.000 2.438 352 L HA 0.606 4.946 4.340 0.000 0.000 0.270 352 L C -1.135 175.852 176.870 0.195 0.000 0.972 352 L CA -0.524 54.453 54.840 0.229 0.000 0.831 352 L CB 1.589 43.793 42.059 0.242 0.000 1.273 352 L HN 0.646 nan 8.230 nan 0.000 0.405 353 K N 2.992 123.495 120.400 0.171 0.000 2.253 353 K HA 0.563 4.883 4.320 0.000 0.000 0.277 353 K C -0.166 176.500 176.600 0.110 0.000 1.053 353 K CA -0.119 56.242 56.287 0.124 0.000 0.892 353 K CB 0.778 33.350 32.500 0.120 0.000 1.102 353 K HN 0.777 nan 8.250 nan 0.000 0.469 354 T N 0.147 114.751 114.554 0.083 0.000 2.824 354 T HA 0.101 4.451 4.350 0.000 0.000 0.277 354 T C 1.063 175.792 174.700 0.048 0.000 0.975 354 T CA -0.154 61.988 62.100 0.071 0.000 0.966 354 T CB 0.802 69.700 68.868 0.051 0.000 1.054 354 T HN 0.692 nan 8.240 nan 0.000 0.533 355 D N 0.403 120.827 120.400 0.041 0.000 2.182 355 D HA -0.190 4.450 4.640 0.000 0.000 0.201 355 D C 1.342 177.648 176.300 0.011 0.000 0.986 355 D CA 1.203 55.220 54.000 0.028 0.000 0.847 355 D CB -0.197 40.616 40.800 0.022 0.000 0.942 355 D HN 0.687 nan 8.370 nan 0.000 0.467 356 K N -0.354 120.047 120.400 0.002 0.000 2.525 356 K HA 0.154 4.474 4.320 0.000 0.000 0.192 356 K C 1.345 177.935 176.600 -0.017 0.000 1.029 356 K CA 0.561 56.841 56.287 -0.011 0.000 1.029 356 K CB 0.219 32.706 32.500 -0.020 0.000 0.814 356 K HN 0.383 nan 8.250 nan 0.000 0.503 357 G N 1.306 110.101 108.800 -0.008 0.000 2.175 357 G HA2 -0.239 3.721 3.960 0.000 0.000 0.244 357 G HA3 -0.239 3.721 3.960 0.000 0.000 0.244 357 G C 0.263 175.140 174.900 -0.039 0.000 0.982 357 G CA 0.216 45.305 45.100 -0.018 0.000 0.641 357 G HN 0.290 nan 8.290 nan 0.000 0.527 358 T N 1.205 115.737 114.554 -0.036 0.000 2.918 358 T HA 0.530 4.880 4.350 0.000 0.000 0.302 358 T C 0.565 175.239 174.700 -0.043 0.000 1.045 358 T CA 0.153 62.214 62.100 -0.064 0.000 1.114 358 T CB 1.417 70.262 68.868 -0.038 0.000 0.965 358 T HN 0.300 nan 8.240 nan 0.000 0.540 359 L N 3.280 124.433 121.223 -0.117 0.000 2.296 359 L HA 0.536 4.876 4.340 0.000 0.000 0.286 359 L C -0.315 176.613 176.870 0.096 0.000 1.023 359 L CA -0.621 54.194 54.840 -0.042 0.000 0.812 359 L CB 1.066 42.994 42.059 -0.218 0.000 1.223 359 L HN 0.506 nan 8.230 nan 0.000 0.421 360 I N 3.227 123.931 120.570 0.223 0.000 2.362 360 I HA 0.452 4.622 4.170 0.000 0.000 0.289 360 I C 0.037 176.360 176.117 0.344 0.000 0.994 360 I CA -0.373 61.109 61.300 0.305 0.000 1.158 360 I CB 1.893 40.069 38.000 0.293 0.000 1.315 360 I HN 0.603 nan 8.210 nan 0.000 0.451 361 A N 5.348 128.391 122.820 0.372 0.000 2.258 361 A HA 0.778 5.098 4.320 0.000 0.000 0.316 361 A C 0.099 177.880 177.584 0.328 0.000 1.279 361 A CA -0.413 51.785 52.037 0.269 0.000 0.876 361 A CB 0.747 19.724 19.000 -0.038 0.000 1.170 361 A HN 0.799 nan 8.150 nan 0.000 0.520 362 G N 0.490 109.421 108.800 0.219 0.000 2.441 362 G HA2 0.851 4.811 3.960 0.000 0.000 0.334 362 G HA3 0.851 4.811 3.960 0.000 0.000 0.334 362 G C -0.330 174.510 174.900 -0.101 0.000 1.161 362 G CA -0.037 45.108 45.100 0.075 0.000 0.935 362 G HN 1.823 nan 8.290 nan 0.000 0.488 363 A N 0.573 123.204 122.820 -0.314 0.000 2.566 363 A HA 0.607 4.928 4.320 0.000 0.000 0.290 363 A C -1.823 175.583 177.584 -0.297 0.000 1.071 363 A CA -0.727 51.076 52.037 -0.390 0.000 0.658 363 A CB 1.131 19.622 19.000 -0.848 0.000 1.285 363 A HN 0.518 nan 8.150 nan 0.000 0.427 364 D N 1.184 121.465 120.400 -0.199 0.000 2.277 364 D HA 0.438 5.078 4.640 0.000 0.000 0.249 364 D C -0.312 175.889 176.300 -0.165 0.000 1.134 364 D CA 0.506 54.407 54.000 -0.164 0.000 0.863 364 D CB 1.336 42.056 40.800 -0.133 0.000 1.143 364 D HN 0.501 nan 8.370 nan 0.000 0.458 365 E N 2.801 122.879 120.200 -0.202 0.000 2.028 365 E HA 0.156 4.506 4.350 0.000 0.000 0.266 365 E C -0.524 175.850 176.600 -0.377 0.000 0.962 365 E CA -0.710 55.479 56.400 -0.351 0.000 0.784 365 E CB 0.282 29.887 29.700 -0.158 0.000 1.114 365 E HN 0.238 nan 8.360 nan 0.000 0.414 366 R N 4.178 124.407 120.500 -0.451 0.000 2.408 366 R HA 0.176 4.516 4.340 0.000 0.000 0.308 366 R C 1.134 177.194 176.300 -0.400 0.000 1.210 366 R CA -0.238 55.633 56.100 -0.382 0.000 1.115 366 R CB 0.601 30.694 30.300 -0.345 0.000 1.127 366 R HN 0.497 nan 8.270 nan 0.000 0.523 367 R N 2.339 122.637 120.500 -0.338 0.000 2.073 367 R HA -0.111 4.229 4.340 0.000 0.000 0.234 367 R C 1.381 177.524 176.300 -0.262 0.000 1.134 367 R CA 1.556 57.492 56.100 -0.275 0.000 0.952 367 R CB 0.050 30.233 30.300 -0.194 0.000 0.850 367 R HN 0.488 nan 8.270 nan 0.000 0.433 368 L N -1.015 120.005 121.223 -0.339 0.000 2.270 368 L HA 0.049 4.389 4.340 0.000 0.000 0.210 368 L C 0.296 177.022 176.870 -0.239 0.000 1.104 368 L CA 0.573 55.238 54.840 -0.292 0.000 0.804 368 L CB -0.272 41.618 42.059 -0.282 0.000 0.937 368 L HN 0.480 nan 8.230 nan 0.000 0.450 369 H N -6.431 112.529 119.070 -0.182 0.000 2.838 369 H HA 0.210 4.766 4.556 0.000 0.000 0.269 369 H C -0.097 175.065 175.328 -0.277 0.000 1.463 369 H CA -0.544 55.376 56.048 -0.213 0.000 1.141 369 H CB 0.141 29.777 29.762 -0.209 0.000 1.821 369 H HN -0.282 nan 8.280 nan 0.000 0.544 370 S N -0.481 115.183 115.700 -0.059 0.000 2.575 370 S HA 0.176 4.646 4.470 0.000 0.000 0.215 370 S C 0.264 174.728 174.600 -0.227 0.000 0.966 370 S CA 0.244 58.340 58.200 -0.173 0.000 0.911 370 S CB -0.085 62.987 63.200 -0.214 0.000 0.780 370 S HN 0.533 nan 8.310 nan 0.000 0.514 371 S N 2.447 118.002 115.700 -0.241 0.000 2.600 371 S HA 0.095 4.566 4.470 0.000 0.000 0.265 371 S C 0.210 174.380 174.600 -0.717 0.000 1.325 371 S CA -0.391 57.334 58.200 -0.790 0.000 1.002 371 S CB 0.255 62.399 63.200 -1.760 0.000 0.921 371 S HN 0.287 nan 8.310 nan 0.000 0.554 372 D N 1.713 121.714 120.400 -0.664 0.000 3.032 372 D HA 0.280 4.920 4.640 0.000 0.000 0.241 372 D C -0.178 176.231 176.300 0.181 0.000 1.196 372 D CA 0.145 54.083 54.000 -0.102 0.000 0.927 372 D CB -0.615 40.312 40.800 0.213 0.000 1.129 372 D HN 0.533 nan 8.370 nan 0.000 0.458 373 W N -1.437 119.921 121.300 0.097 0.000 2.743 373 W HA 0.528 5.188 4.660 0.000 0.000 0.434 373 W C 0.237 176.798 176.519 0.071 0.000 1.048 373 W CA -0.530 56.851 57.345 0.061 0.000 1.170 373 W CB 0.150 29.631 29.460 0.036 0.000 1.466 373 W HN 0.206 nan 8.180 nan 0.000 0.596 374 G N 0.538 109.575 108.800 0.395 0.000 2.508 374 G HA2 -0.010 3.950 3.960 0.000 0.000 0.220 374 G HA3 -0.010 3.950 3.960 0.000 0.000 0.220 374 G C -1.131 173.781 174.900 0.019 0.000 1.287 374 G CA -0.036 45.169 45.100 0.174 0.000 0.916 374 G HN 1.150 nan 8.290 nan 0.000 0.574 375 D N 1.107 121.459 120.400 -0.080 0.000 2.374 375 D HA 0.499 5.139 4.640 0.000 0.000 0.240 375 D C 0.313 176.535 176.300 -0.130 0.000 1.229 375 D CA -0.010 53.944 54.000 -0.077 0.000 0.895 375 D CB -0.438 40.312 40.800 -0.084 0.000 1.046 375 D HN 0.560 nan 8.370 nan 0.000 0.498 376 I N 2.839 123.354 120.570 -0.092 0.000 2.447 376 I HA 0.447 4.617 4.170 0.000 0.000 0.287 376 I C 0.755 176.806 176.117 -0.109 0.000 1.023 376 I CA -1.048 60.177 61.300 -0.125 0.000 1.083 376 I CB 2.299 40.235 38.000 -0.107 0.000 1.245 376 I HN 0.310 nan 8.210 nan 0.000 0.434 377 G N 6.717 115.437 108.800 -0.132 0.000 2.410 377 G HA2 0.635 4.595 3.960 0.000 0.000 0.330 377 G HA3 0.635 4.595 3.960 0.000 0.000 0.330 377 G C -0.453 174.335 174.900 -0.185 0.000 1.142 377 G CA -0.684 44.338 45.100 -0.129 0.000 0.902 377 G HN 0.345 nan 8.290 nan 0.000 0.491 378 M N 2.290 121.737 119.600 -0.254 0.000 2.063 378 M HA 0.339 4.819 4.480 0.000 0.000 0.348 378 M C -0.005 176.126 176.300 -0.282 0.000 1.180 378 M CA -0.656 54.437 55.300 -0.344 0.000 1.059 378 M CB 0.416 32.642 32.600 -0.623 0.000 1.544 378 M HN 0.405 nan 8.290 nan 0.000 0.447 379 V N 3.282 123.061 119.914 -0.224 0.000 3.001 379 V HA 0.927 5.048 4.120 0.000 0.000 0.314 379 V C -0.641 175.408 176.094 -0.074 0.000 1.099 379 V CA -0.923 61.298 62.300 -0.132 0.000 0.989 379 V CB 2.638 34.451 31.823 -0.016 0.000 1.040 379 V HN 0.871 nan 8.190 nan 0.000 0.434 380 I N -0.447 120.171 120.570 0.081 0.000 3.191 380 I HA 0.833 5.003 4.170 0.000 0.000 0.313 380 I C -0.718 175.589 176.117 0.318 0.000 1.193 380 I CA -1.166 60.279 61.300 0.242 0.000 0.968 380 I CB 2.643 40.768 38.000 0.209 0.000 1.262 380 I HN 0.710 nan 8.210 nan 0.000 0.456 381 R N 1.686 122.377 120.500 0.319 0.000 2.725 381 R HA 0.668 5.009 4.340 0.000 0.000 0.277 381 R C -1.311 175.207 176.300 0.362 0.000 0.987 381 R CA -1.040 55.200 56.100 0.233 0.000 0.901 381 R CB 2.917 33.207 30.300 -0.017 0.000 1.207 381 R HN 0.634 nan 8.270 nan 0.000 0.463 382 R N 0.290 120.965 120.500 0.291 0.000 2.637 382 R HA 0.429 4.769 4.340 0.000 0.000 0.291 382 R C -0.837 175.417 176.300 -0.076 0.000 0.963 382 R CA -0.653 55.543 56.100 0.159 0.000 0.901 382 R CB 2.299 32.651 30.300 0.087 0.000 1.160 382 R HN 0.405 nan 8.270 nan 0.000 0.457 383 S N 0.973 116.399 115.700 -0.456 0.000 2.561 383 S HA 0.202 4.673 4.470 0.000 0.000 0.303 383 S C -0.087 174.220 174.600 -0.489 0.000 1.110 383 S CA -0.648 57.047 58.200 -0.842 0.000 1.034 383 S CB 1.282 63.298 63.200 -1.973 0.000 1.010 383 S HN 0.715 nan 8.310 nan 0.000 0.482 384 E N 1.993 121.988 120.200 -0.342 0.000 2.481 384 E HA 0.073 4.423 4.350 0.000 0.000 0.198 384 E C -0.456 176.023 176.600 -0.203 0.000 1.027 384 E CA 0.132 56.401 56.400 -0.218 0.000 0.900 384 E CB 0.327 29.942 29.700 -0.142 0.000 0.993 384 E HN 0.754 nan 8.360 nan 0.000 0.482 385 D N -0.530 119.710 120.400 -0.265 0.000 2.772 385 D HA 0.061 4.701 4.640 0.000 0.000 0.272 385 D C -0.201 175.978 176.300 -0.201 0.000 1.314 385 D CA -0.703 53.181 54.000 -0.194 0.000 0.835 385 D CB -0.266 40.436 40.800 -0.163 0.000 1.080 385 D HN -0.155 nan 8.370 nan 0.000 0.482 386 N N 0.627 119.188 118.700 -0.233 0.000 2.735 386 N HA -0.187 4.553 4.740 0.000 0.000 0.248 386 N C 1.135 176.535 175.510 -0.184 0.000 1.083 386 N CA 1.521 54.467 53.050 -0.173 0.000 0.703 386 N CB -1.196 37.253 38.487 -0.063 0.000 1.005 386 N HN 0.737 nan 8.380 nan 0.000 0.550 387 G N -1.657 106.835 108.800 -0.513 0.000 2.194 387 G HA2 -0.353 3.608 3.960 0.000 0.000 0.236 387 G HA3 -0.353 3.608 3.960 0.000 0.000 0.236 387 G C 1.031 175.834 174.900 -0.162 0.000 0.987 387 G CA 0.695 45.477 45.100 -0.530 0.000 0.635 387 G HN 0.554 nan 8.290 nan 0.000 0.520 388 K N 0.241 120.539 120.400 -0.169 0.000 2.001 388 K HA 0.118 4.438 4.320 0.000 0.000 0.208 388 K C 1.464 178.035 176.600 -0.048 0.000 1.048 388 K CA 1.677 57.942 56.287 -0.038 0.000 0.932 388 K CB -0.168 32.300 32.500 -0.053 0.000 0.715 388 K HN 0.687 nan 8.250 nan 0.000 0.437 389 T N -2.263 112.149 114.554 -0.237 0.000 2.906 389 T HA 0.517 4.867 4.350 0.000 0.000 0.295 389 T C -1.503 172.946 174.700 -0.418 0.000 1.075 389 T CA -1.012 61.005 62.100 -0.139 0.000 1.005 389 T CB 1.293 70.111 68.868 -0.084 0.000 1.136 389 T HN 0.142 nan 8.240 nan 0.000 0.498 390 W N 0.086 121.315 121.300 -0.119 0.000 2.936 390 W HA 0.698 5.358 4.660 0.000 0.000 0.338 390 W C 0.567 177.023 176.519 -0.104 0.000 1.121 390 W CA -0.739 56.523 57.345 -0.139 0.000 1.209 390 W CB 1.837 31.170 29.460 -0.211 0.000 1.420 390 W HN 1.171 nan 8.180 nan 0.000 0.516 391 G N 0.784 109.654 108.800 0.117 0.000 2.588 391 G HA2 0.238 4.198 3.960 0.000 0.000 0.278 391 G HA3 0.238 4.198 3.960 0.000 0.000 0.278 391 G C -0.247 174.698 174.900 0.075 0.000 1.307 391 G CA -0.609 44.532 45.100 0.069 0.000 1.016 391 G HN 0.406 nan 8.290 nan 0.000 0.503 392 D N -0.229 120.204 120.400 0.056 0.000 2.361 392 D HA 0.104 4.744 4.640 0.000 0.000 0.239 392 D C 0.729 177.074 176.300 0.075 0.000 1.200 392 D CA 0.334 54.365 54.000 0.051 0.000 0.915 392 D CB 0.737 41.565 40.800 0.046 0.000 1.170 392 D HN 0.181 nan 8.370 nan 0.000 0.444 393 R N 0.097 120.644 120.500 0.079 0.000 2.623 393 R HA 0.232 4.572 4.340 0.000 0.000 0.271 393 R C -0.535 175.841 176.300 0.126 0.000 1.043 393 R CA -0.173 56.005 56.100 0.130 0.000 1.083 393 R CB 0.526 30.928 30.300 0.169 0.000 0.974 393 R HN 0.140 nan 8.270 nan 0.000 0.436 394 V N 2.801 122.804 119.914 0.148 0.000 2.409 394 V HA 0.154 4.275 4.120 0.000 0.000 0.291 394 V C 0.031 176.170 176.094 0.075 0.000 1.020 394 V CA -0.644 61.741 62.300 0.141 0.000 0.848 394 V CB 1.966 33.928 31.823 0.233 0.000 0.990 394 V HN 0.760 nan 8.190 nan 0.000 0.430 395 T N 6.335 120.913 114.554 0.040 0.000 2.780 395 T HA 0.450 4.800 4.350 0.000 0.000 0.294 395 T C 1.260 175.915 174.700 -0.074 0.000 0.949 395 T CA -0.060 62.022 62.100 -0.030 0.000 1.074 395 T CB 1.050 69.909 68.868 -0.015 0.000 0.910 395 T HN 0.431 nan 8.240 nan 0.000 0.501 396 I N 1.833 122.268 120.570 -0.226 0.000 2.385 396 I HA 0.055 4.225 4.170 0.000 0.000 0.244 396 I C 0.774 176.888 176.117 -0.005 0.000 1.089 396 I CA 0.740 61.860 61.300 -0.299 0.000 1.410 396 I CB 0.305 37.893 38.000 -0.686 0.000 1.117 396 I HN 0.514 nan 8.210 nan 0.000 0.429 397 T N 0.802 115.315 114.554 -0.068 0.000 3.041 397 T HA 0.320 4.671 4.350 0.000 0.000 0.321 397 T C -0.944 173.763 174.700 0.012 0.000 1.184 397 T CA -0.574 61.575 62.100 0.082 0.000 1.050 397 T CB 1.996 70.934 68.868 0.117 0.000 1.159 397 T HN -0.021 nan 8.240 nan 0.000 0.469 398 N N 2.892 121.646 118.700 0.091 0.000 2.747 398 N HA 0.269 5.009 4.740 0.000 0.000 0.262 398 N C -0.992 174.590 175.510 0.120 0.000 1.261 398 N CA -0.354 52.728 53.050 0.055 0.000 0.809 398 N CB 0.728 39.223 38.487 0.013 0.000 1.450 398 N HN 0.554 nan 8.380 nan 0.000 0.560 399 L N 2.483 123.795 121.223 0.148 0.000 2.461 399 L HA 0.321 4.662 4.340 0.000 0.000 0.272 399 L C 1.464 178.447 176.870 0.188 0.000 1.197 399 L CA -0.504 54.462 54.840 0.210 0.000 0.836 399 L CB 0.444 42.631 42.059 0.214 0.000 1.105 399 L HN 0.379 nan 8.230 nan 0.000 0.477 400 R N 1.054 121.694 120.500 0.233 0.000 2.582 400 R HA 0.198 4.538 4.340 0.000 0.000 0.271 400 R C -0.662 175.804 176.300 0.276 0.000 1.078 400 R CA -0.883 55.348 56.100 0.218 0.000 1.127 400 R CB 0.513 30.945 30.300 0.221 0.000 1.038 400 R HN 0.635 nan 8.270 nan 0.000 0.500 401 D N 1.212 121.709 120.400 0.162 0.000 2.377 401 D HA -0.067 4.573 4.640 0.000 0.000 0.245 401 D C -0.582 175.662 176.300 -0.092 0.000 1.196 401 D CA -0.560 53.481 54.000 0.068 0.000 0.962 401 D CB 0.429 41.228 40.800 -0.001 0.000 1.127 401 D HN 0.574 nan 8.370 nan 0.000 0.471 402 N N 0.895 119.305 118.700 -0.484 0.000 2.402 402 N HA 0.101 4.842 4.740 0.000 0.000 0.252 402 N C -1.657 173.577 175.510 -0.460 0.000 1.118 402 N CA -1.983 50.377 53.050 -1.150 0.000 0.945 402 N CB 0.888 38.663 38.487 -1.187 0.000 1.147 402 N HN 0.185 nan 8.380 nan 0.000 0.495 403 P HA -0.092 nan 4.420 nan 0.000 0.228 403 P C 0.151 177.385 177.300 -0.110 0.000 1.151 403 P CA 1.020 64.051 63.100 -0.115 0.000 0.770 403 P CB 0.464 32.146 31.700 -0.030 0.000 0.786 404 K N -0.780 119.526 120.400 -0.156 0.000 2.358 404 K HA 0.291 4.611 4.320 0.000 0.000 0.200 404 K C 0.925 177.458 176.600 -0.112 0.000 1.030 404 K CA -0.335 55.889 56.287 -0.104 0.000 1.097 404 K CB 0.412 32.870 32.500 -0.071 0.000 0.862 404 K HN 0.030 nan 8.250 nan 0.000 0.534 405 A N 1.183 123.910 122.820 -0.155 0.000 2.540 405 A HA 0.099 4.420 4.320 0.000 0.000 0.239 405 A C 1.277 178.817 177.584 -0.074 0.000 1.061 405 A CA 0.164 52.129 52.037 -0.121 0.000 0.758 405 A CB 0.295 19.214 19.000 -0.136 0.000 0.991 405 A HN 0.194 nan 8.150 nan 0.000 0.502 406 S N 0.590 116.256 115.700 -0.058 0.000 2.383 406 S HA -0.082 4.388 4.470 0.000 0.000 0.227 406 S C 0.699 175.278 174.600 -0.034 0.000 1.026 406 S CA 1.491 59.666 58.200 -0.042 0.000 0.981 406 S CB -0.067 63.110 63.200 -0.038 0.000 0.818 406 S HN 0.853 nan 8.310 nan 0.000 0.472 407 D N 0.373 120.753 120.400 -0.034 0.000 2.461 407 D HA 0.335 4.975 4.640 0.000 0.000 0.240 407 D C -2.173 174.127 176.300 0.000 0.000 1.094 407 D CA -2.493 51.498 54.000 -0.017 0.000 0.868 407 D CB 1.530 42.316 40.800 -0.022 0.000 1.062 407 D HN -0.105 nan 8.370 nan 0.000 0.530 408 P HA -0.169 nan 4.420 nan 0.000 0.216 408 P C 1.405 178.756 177.300 0.086 0.000 1.150 408 P CA 1.197 64.310 63.100 0.022 0.000 0.843 408 P CB 0.185 31.893 31.700 0.013 0.000 0.787 409 S N -0.339 115.444 115.700 0.137 0.000 2.465 409 S HA -0.141 4.330 4.470 0.000 0.000 0.241 409 S C 1.461 176.321 174.600 0.433 0.000 1.000 409 S CA 1.313 59.701 58.200 0.312 0.000 0.964 409 S CB -1.276 62.068 63.200 0.240 0.000 0.763 409 S HN 0.396 nan 8.310 nan 0.000 0.512 410 I N -3.467 117.224 120.570 0.202 0.000 3.813 410 I HA 0.576 4.747 4.170 0.000 0.000 0.323 410 I C 0.762 176.903 176.117 0.040 0.000 1.536 410 I CA -0.494 60.878 61.300 0.119 0.000 1.083 410 I CB 0.271 38.202 38.000 -0.115 0.000 1.265 410 I HN 0.119 nan 8.210 nan 0.000 0.507 411 G N 0.885 109.708 108.800 0.038 0.000 3.814 411 G HA2 0.537 4.498 3.960 0.000 0.000 0.293 411 G HA3 0.537 4.498 3.960 0.000 0.000 0.293 411 G C -0.301 174.575 174.900 -0.040 0.000 1.243 411 G CA -0.099 44.983 45.100 -0.029 0.000 1.053 411 G HN 0.315 nan 8.290 nan 0.000 0.562 412 S N 0.020 115.741 115.700 0.035 0.000 2.540 412 S HA 0.557 5.027 4.470 0.000 0.000 0.275 412 S C -3.021 171.654 174.600 0.126 0.000 1.123 412 S CA -0.967 57.272 58.200 0.065 0.000 0.907 412 S CB 2.933 66.167 63.200 0.057 0.000 1.081 412 S HN -0.048 nan 8.310 nan 0.000 0.476 413 P HA 0.241 nan 4.420 nan 0.000 0.269 413 P C -1.114 176.237 177.300 0.086 0.000 1.209 413 P CA -0.253 62.944 63.100 0.162 0.000 0.776 413 P CB 0.438 32.263 31.700 0.208 0.000 0.876 414 V N 3.514 123.470 119.914 0.069 0.000 2.628 414 V HA 0.428 4.548 4.120 0.000 0.000 0.306 414 V C -0.036 176.065 176.094 0.012 0.000 1.045 414 V CA -0.553 61.797 62.300 0.083 0.000 0.905 414 V CB 1.862 33.801 31.823 0.194 0.000 0.997 414 V HN 0.483 nan 8.190 nan 0.000 0.436 415 N N 3.384 122.082 118.700 -0.002 0.000 2.284 415 N HA 0.738 5.479 4.740 0.000 0.000 0.300 415 N C -1.269 174.266 175.510 0.042 0.000 1.047 415 N CA -0.318 52.725 53.050 -0.011 0.000 0.821 415 N CB 2.908 41.346 38.487 -0.081 0.000 1.337 415 N HN 0.787 nan 8.380 nan 0.000 0.482 416 I N 0.847 121.487 120.570 0.116 0.000 2.753 416 I HA 0.168 4.338 4.170 0.000 0.000 0.291 416 I C -1.703 174.512 176.117 0.164 0.000 1.425 416 I CA -0.341 61.031 61.300 0.119 0.000 1.039 416 I CB 1.395 39.502 38.000 0.178 0.000 1.349 416 I HN 0.420 nan 8.210 nan 0.000 0.430 417 D N 6.368 126.841 120.400 0.121 0.000 5.989 417 D HA -0.134 4.506 4.640 0.000 0.000 0.236 417 D C -0.828 175.583 176.300 0.185 0.000 1.693 417 D CA 1.279 55.376 54.000 0.162 0.000 1.470 417 D CB -0.218 40.724 40.800 0.236 0.000 0.653 417 D HN 0.722 nan 8.370 nan 0.000 0.358 418 M N -0.949 118.744 119.600 0.155 0.000 2.664 418 M HA 0.793 5.273 4.480 0.000 0.000 0.314 418 M C -1.092 175.316 176.300 0.180 0.000 1.200 418 M CA -0.925 54.490 55.300 0.191 0.000 0.916 418 M CB 2.475 35.159 32.600 0.139 0.000 1.717 418 M HN 0.024 nan 8.290 nan 0.000 0.470 419 V N 3.204 123.233 119.914 0.190 0.000 2.588 419 V HA 0.556 4.677 4.120 0.000 0.000 0.304 419 V C -0.538 175.693 176.094 0.228 0.000 1.042 419 V CA -0.615 61.798 62.300 0.188 0.000 0.877 419 V CB 1.906 33.823 31.823 0.157 0.000 0.996 419 V HN 0.812 nan 8.190 nan 0.000 0.425 420 L N 4.873 126.244 121.223 0.246 0.000 2.334 420 L HA 0.893 5.234 4.340 0.000 0.000 0.273 420 L C -0.636 176.422 176.870 0.313 0.000 1.013 420 L CA -0.817 54.204 54.840 0.301 0.000 0.816 420 L CB 2.065 44.296 42.059 0.287 0.000 1.278 420 L HN 0.473 nan 8.230 nan 0.000 0.431 421 V N 2.030 122.168 119.914 0.374 0.000 3.174 421 V HA 0.293 4.414 4.120 0.000 0.000 0.280 421 V C -1.815 174.526 176.094 0.412 0.000 1.554 421 V CA -0.393 62.126 62.300 0.364 0.000 1.016 421 V CB 2.441 34.483 31.823 0.366 0.000 1.197 421 V HN 0.890 nan 8.190 nan 0.000 0.453 422 Q N 3.247 123.243 119.800 0.326 0.000 2.353 422 Q HA 0.405 4.745 4.340 0.000 0.000 0.268 422 Q C -1.276 174.892 176.000 0.279 0.000 1.045 422 Q CA -0.664 55.302 55.803 0.273 0.000 0.811 422 Q CB 1.947 30.785 28.738 0.168 0.000 1.305 422 Q HN 0.872 nan 8.270 nan 0.000 0.447 423 D N 5.044 125.624 120.400 0.300 0.000 2.343 423 D HA 0.084 4.724 4.640 0.000 0.000 0.255 423 D C -1.572 174.820 176.300 0.154 0.000 1.187 423 D CA -1.635 52.531 54.000 0.276 0.000 0.875 423 D CB 1.558 42.562 40.800 0.341 0.000 1.136 423 D HN 0.442 nan 8.370 nan 0.000 0.469 424 P HA -0.105 nan 4.420 nan 0.000 0.223 424 P C 0.927 178.256 177.300 0.049 0.000 1.151 424 P CA 0.861 64.015 63.100 0.089 0.000 0.787 424 P CB 0.618 32.374 31.700 0.094 0.000 0.788 425 E N 0.264 120.485 120.200 0.035 0.000 2.079 425 E HA -0.066 4.285 4.350 0.000 0.000 0.191 425 E C 1.918 178.464 176.600 -0.090 0.000 0.961 425 E CA 1.402 57.779 56.400 -0.037 0.000 0.823 425 E CB -0.160 29.495 29.700 -0.076 0.000 0.789 425 E HN 0.157 nan 8.360 nan 0.000 0.459 426 T N -1.467 113.011 114.554 -0.128 0.000 3.067 426 T HA 0.061 4.412 4.350 0.000 0.000 0.261 426 T C 0.791 175.447 174.700 -0.073 0.000 1.110 426 T CA 0.454 62.478 62.100 -0.127 0.000 1.113 426 T CB 0.145 68.922 68.868 -0.153 0.000 0.917 426 T HN 0.060 nan 8.240 nan 0.000 0.499 427 K N -0.229 120.151 120.400 -0.033 0.000 3.472 427 K HA -0.178 4.142 4.320 0.000 0.000 0.315 427 K C 0.364 176.923 176.600 -0.067 0.000 1.320 427 K CA 0.835 57.105 56.287 -0.028 0.000 0.962 427 K CB -1.882 30.596 32.500 -0.038 0.000 1.251 427 K HN 0.688 nan 8.250 nan 0.000 0.443 428 R N 1.333 121.766 120.500 -0.112 0.000 2.537 428 R HA 0.296 4.637 4.340 0.000 0.000 0.280 428 R C 0.086 176.184 176.300 -0.336 0.000 1.058 428 R CA 0.044 55.975 56.100 -0.282 0.000 1.057 428 R CB 0.336 30.365 30.300 -0.452 0.000 0.973 428 R HN 0.126 nan 8.270 nan 0.000 0.438 429 I N 5.495 125.870 120.570 -0.326 0.000 2.336 429 I HA 0.254 4.425 4.170 0.000 0.000 0.292 429 I C -0.705 175.356 176.117 -0.093 0.000 0.991 429 I CA -0.548 60.683 61.300 -0.115 0.000 1.227 429 I CB 1.009 38.984 38.000 -0.040 0.000 1.366 429 I HN 0.481 nan 8.210 nan 0.000 0.466 430 F N 3.780 123.965 119.950 0.392 0.000 2.450 430 F HA 0.475 5.002 4.527 0.000 0.000 0.332 430 F C 0.520 176.596 175.800 0.459 0.000 1.093 430 F CA -0.611 57.665 58.000 0.461 0.000 1.003 430 F CB 1.911 41.148 39.000 0.395 0.000 1.151 430 F HN 0.261 nan 8.300 nan 0.000 0.474 431 S N 4.038 120.121 115.700 0.639 0.000 2.707 431 S HA 0.702 5.172 4.470 0.000 0.000 0.312 431 S C -1.020 173.798 174.600 0.363 0.000 1.116 431 S CA -0.439 58.019 58.200 0.430 0.000 1.078 431 S CB 0.074 63.409 63.200 0.225 0.000 0.997 431 S HN 0.511 nan 8.310 nan 0.000 0.477 432 I N 6.260 126.957 120.570 0.212 0.000 2.404 432 I HA 0.560 4.730 4.170 0.000 0.000 0.293 432 I C -0.867 175.278 176.117 0.047 0.000 0.992 432 I CA -0.916 60.349 61.300 -0.057 0.000 1.149 432 I CB 1.431 39.303 38.000 -0.215 0.000 1.315 432 I HN 0.755 nan 8.210 nan 0.000 0.446 433 Y N 2.543 122.855 120.300 0.020 0.000 2.655 433 Y HA 0.574 5.124 4.550 0.000 0.000 0.336 433 Y C -1.106 174.767 175.900 -0.045 0.000 1.154 433 Y CA -1.594 56.511 58.100 0.007 0.000 1.055 433 Y CB 0.461 38.933 38.460 0.019 0.000 1.295 433 Y HN 0.306 nan 8.280 nan 0.000 0.465 434 D N 2.221 122.688 120.400 0.112 0.000 2.339 434 D HA 0.303 4.943 4.640 0.000 0.000 0.245 434 D C -0.610 175.597 176.300 -0.156 0.000 1.115 434 D CA 0.173 54.127 54.000 -0.076 0.000 0.917 434 D CB 1.412 42.234 40.800 0.038 0.000 1.192 434 D HN 0.597 nan 8.370 nan 0.000 0.428 435 M N 2.053 121.375 119.600 -0.463 0.000 2.326 435 M HA 0.428 4.908 4.480 0.000 0.000 0.292 435 M C -2.217 173.773 176.300 -0.518 0.000 1.081 435 M CA -0.517 54.387 55.300 -0.660 0.000 0.919 435 M CB 1.273 32.925 32.600 -1.580 0.000 1.634 435 M HN 0.263 nan 8.290 nan 0.000 0.451 436 F N 5.394 125.225 119.950 -0.197 0.000 2.578 436 F HA 0.701 5.228 4.527 0.000 0.000 0.311 436 F C -2.089 173.673 175.800 -0.064 0.000 1.094 436 F CA -1.192 56.798 58.000 -0.017 0.000 0.923 436 F CB 2.094 41.120 39.000 0.044 0.000 1.230 436 F HN 0.390 nan 8.300 nan 0.000 0.450 437 P HA 0.010 nan 4.420 nan 0.000 0.275 437 P C -0.571 176.857 177.300 0.213 0.000 1.266 437 P CA -0.401 62.818 63.100 0.199 0.000 0.793 437 P CB 0.643 32.500 31.700 0.261 0.000 1.074 438 E N -0.179 120.157 120.200 0.227 0.000 2.820 438 E HA 0.173 4.523 4.350 0.000 0.000 0.251 438 E C 0.310 176.964 176.600 0.091 0.000 0.944 438 E CA 0.784 57.281 56.400 0.162 0.000 0.955 438 E CB -0.553 29.246 29.700 0.166 0.000 0.904 438 E HN 0.700 nan 8.360 nan 0.000 0.513 439 G N 3.845 112.668 108.800 0.039 0.000 2.367 439 G HA2 -0.033 3.927 3.960 0.000 0.000 0.272 439 G HA3 -0.033 3.927 3.960 0.000 0.000 0.272 439 G C -0.728 174.080 174.900 -0.153 0.000 1.271 439 G CA -0.394 44.672 45.100 -0.056 0.000 0.893 439 G HN 0.415 nan 8.290 nan 0.000 0.485 440 K N 0.530 120.748 120.400 -0.304 0.000 2.570 440 K HA 0.447 4.767 4.320 0.000 0.000 0.210 440 K C 1.309 177.727 176.600 -0.305 0.000 1.048 440 K CA 0.954 56.908 56.287 -0.555 0.000 1.167 440 K CB -0.508 31.515 32.500 -0.795 0.000 0.892 440 K HN 1.631 nan 8.250 nan 0.000 0.480 441 G N 1.606 110.163 108.800 -0.404 0.000 2.596 441 G HA2 -0.384 3.577 3.960 0.000 0.000 0.295 441 G HA3 -0.384 3.577 3.960 0.000 0.000 0.295 441 G C 0.666 174.890 174.900 -1.127 0.000 1.240 441 G CA 0.219 44.681 45.100 -1.062 0.000 0.985 441 G HN 0.372 nan 8.290 nan 0.000 0.555 442 I N 0.135 120.163 120.570 -0.904 0.000 2.567 442 I HA 0.047 4.217 4.170 0.000 0.000 0.257 442 I C 1.961 177.794 176.117 -0.473 0.000 1.184 442 I CA 1.413 62.376 61.300 -0.562 0.000 1.451 442 I CB -0.157 37.383 38.000 -0.767 0.000 1.089 442 I HN 0.362 nan 8.210 nan 0.000 0.441 443 F N -0.348 119.507 119.950 -0.158 0.000 2.732 443 F HA 0.253 4.780 4.527 0.000 0.000 0.303 443 F C 1.715 177.400 175.800 -0.191 0.000 1.110 443 F CA 0.215 58.145 58.000 -0.117 0.000 1.355 443 F CB 0.589 39.534 39.000 -0.092 0.000 1.081 443 F HN 0.034 nan 8.300 nan 0.000 0.565 444 G N -0.190 108.547 108.800 -0.105 0.000 4.110 444 G HA2 0.268 4.228 3.960 0.000 0.000 0.292 444 G HA3 0.268 4.228 3.960 0.000 0.000 0.292 444 G C 0.238 175.090 174.900 -0.079 0.000 1.020 444 G CA -0.312 44.710 45.100 -0.129 0.000 0.808 444 G HN -0.002 nan 8.290 nan 0.000 0.474 445 M N 1.405 120.980 119.600 -0.043 0.000 2.238 445 M HA 0.238 4.718 4.480 0.000 0.000 0.347 445 M C 0.911 177.178 176.300 -0.055 0.000 1.173 445 M CA 0.066 55.354 55.300 -0.020 0.000 1.147 445 M CB 1.284 33.872 32.600 -0.021 0.000 1.547 445 M HN 0.129 nan 8.290 nan 0.000 0.455 446 S N 0.750 116.426 115.700 -0.040 0.000 2.593 446 S HA 0.094 4.564 4.470 0.000 0.000 0.269 446 S C 1.228 175.787 174.600 -0.068 0.000 1.334 446 S CA -0.178 57.994 58.200 -0.047 0.000 1.015 446 S CB 0.753 63.932 63.200 -0.035 0.000 0.912 446 S HN 0.788 nan 8.310 nan 0.000 0.541 447 S N 2.419 118.087 115.700 -0.053 0.000 2.461 447 S HA 0.105 4.575 4.470 0.000 0.000 0.228 447 S C 0.421 174.998 174.600 -0.037 0.000 1.005 447 S CA 0.165 58.336 58.200 -0.048 0.000 0.942 447 S CB -0.115 63.069 63.200 -0.027 0.000 0.776 447 S HN 0.691 nan 8.310 nan 0.000 0.514 448 Q N 1.627 121.406 119.800 -0.035 0.000 2.245 448 Q HA 0.437 4.777 4.340 0.000 0.000 0.256 448 Q C -0.686 175.294 176.000 -0.033 0.000 0.942 448 Q CA -0.357 55.429 55.803 -0.029 0.000 0.896 448 Q CB 1.887 30.606 28.738 -0.031 0.000 1.272 448 Q HN 0.459 nan 8.270 nan 0.000 0.442 449 K N 1.537 121.926 120.400 -0.019 0.000 2.237 449 K HA 0.201 4.521 4.320 0.000 0.000 0.270 449 K C -0.661 175.924 176.600 -0.025 0.000 1.015 449 K CA 0.035 56.313 56.287 -0.015 0.000 0.949 449 K CB 0.696 33.202 32.500 0.009 0.000 0.976 449 K HN 0.469 nan 8.250 nan 0.000 0.472 450 E N 2.689 122.876 120.200 -0.021 0.000 2.241 450 E HA 0.095 4.445 4.350 0.000 0.000 0.263 450 E C -1.170 175.485 176.600 0.091 0.000 0.882 450 E CA -0.820 55.568 56.400 -0.021 0.000 0.769 450 E CB 1.626 31.245 29.700 -0.134 0.000 1.185 450 E HN 0.519 nan 8.360 nan 0.000 0.415 451 E N 1.367 121.670 120.200 0.171 0.000 2.465 451 E HA -0.013 4.337 4.350 0.000 0.000 0.260 451 E C 0.246 176.946 176.600 0.166 0.000 0.980 451 E CA 0.163 56.661 56.400 0.163 0.000 0.927 451 E CB 1.283 31.087 29.700 0.174 0.000 0.934 451 E HN 0.677 nan 8.360 nan 0.000 0.459 452 A N 4.060 126.890 122.820 0.016 0.000 2.115 452 A HA 0.100 4.420 4.320 0.000 0.000 0.211 452 A C -0.129 177.109 177.584 -0.575 0.000 1.169 452 A CA 0.562 52.457 52.037 -0.237 0.000 0.787 452 A CB 0.300 19.076 19.000 -0.372 0.000 0.858 452 A HN 0.518 nan 8.150 nan 0.000 0.474 453 Y N -1.252 119.117 120.300 0.114 0.000 2.581 453 Y HA 0.640 5.190 4.550 0.000 0.000 0.345 453 Y C -0.169 175.764 175.900 0.056 0.000 1.036 453 Y CA -1.103 57.047 58.100 0.083 0.000 1.042 453 Y CB 1.656 40.153 38.460 0.062 0.000 1.289 453 Y HN 0.007 nan 8.280 nan 0.000 0.471 454 K N 1.980 122.505 120.400 0.208 0.000 2.513 454 K HA 0.413 4.734 4.320 0.000 0.000 0.251 454 K C -1.554 175.093 176.600 0.078 0.000 0.939 454 K CA -0.780 55.581 56.287 0.123 0.000 0.793 454 K CB 1.462 34.019 32.500 0.095 0.000 1.241 454 K HN 0.664 nan 8.250 nan 0.000 0.431 455 K N 3.993 124.410 120.400 0.028 0.000 2.249 455 K HA 0.399 4.719 4.320 0.000 0.000 0.280 455 K C -0.554 176.029 176.600 -0.029 0.000 1.033 455 K CA -0.283 55.979 56.287 -0.042 0.000 0.946 455 K CB 0.781 33.257 32.500 -0.040 0.000 1.005 455 K HN 0.487 nan 8.250 nan 0.000 0.469 456 I N 3.091 123.609 120.570 -0.085 0.000 2.529 456 I HA 0.046 4.216 4.170 0.000 0.000 0.284 456 I C -0.876 175.208 176.117 -0.054 0.000 1.088 456 I CA -0.486 60.804 61.300 -0.016 0.000 1.062 456 I CB 1.817 39.889 38.000 0.121 0.000 1.218 456 I HN 0.680 nan 8.210 nan 0.000 0.442 457 D N 5.341 125.723 120.400 -0.031 0.000 2.737 457 D HA -0.174 4.466 4.640 0.000 0.000 0.238 457 D C 1.081 177.342 176.300 -0.066 0.000 1.157 457 D CA 1.525 55.505 54.000 -0.032 0.000 0.694 457 D CB -0.636 40.158 40.800 -0.010 0.000 1.021 457 D HN 1.171 nan 8.370 nan 0.000 0.420 458 G N 0.177 108.931 108.800 -0.077 0.000 2.283 458 G HA2 -0.336 3.624 3.960 0.000 0.000 0.280 458 G HA3 -0.336 3.624 3.960 0.000 0.000 0.280 458 G C 0.024 174.833 174.900 -0.152 0.000 1.029 458 G CA 0.656 45.701 45.100 -0.093 0.000 0.840 458 G HN 0.360 nan 8.290 nan 0.000 0.505 459 K N 0.498 120.752 120.400 -0.244 0.000 2.507 459 K HA 0.471 4.792 4.320 0.000 0.000 0.252 459 K C -0.363 175.870 176.600 -0.611 0.000 0.943 459 K CA -0.517 55.498 56.287 -0.455 0.000 0.808 459 K CB 1.732 33.870 32.500 -0.603 0.000 1.142 459 K HN 0.076 nan 8.250 nan 0.000 0.426 460 T N 3.467 117.738 114.554 -0.472 0.000 2.728 460 T HA 0.408 4.758 4.350 0.000 0.000 0.296 460 T C -0.569 173.960 174.700 -0.284 0.000 0.940 460 T CA -0.164 61.752 62.100 -0.307 0.000 1.013 460 T CB -0.080 68.678 68.868 -0.184 0.000 0.912 460 T HN 0.180 nan 8.240 nan 0.000 0.484 461 Y N 1.464 121.805 120.300 0.069 0.000 2.468 461 Y HA 0.453 5.003 4.550 0.000 0.000 0.342 461 Y C 0.457 176.460 175.900 0.171 0.000 1.021 461 Y CA -1.557 56.587 58.100 0.074 0.000 1.079 461 Y CB 1.426 39.880 38.460 -0.009 0.000 1.226 461 Y HN 0.517 nan 8.280 nan 0.000 0.460 462 Q N 2.213 122.215 119.800 0.337 0.000 2.314 462 Q HA 0.449 4.789 4.340 0.000 0.000 0.258 462 Q C -0.976 175.046 176.000 0.038 0.000 0.954 462 Q CA -0.203 55.709 55.803 0.181 0.000 0.890 462 Q CB 0.629 29.457 28.738 0.150 0.000 1.210 462 Q HN 0.678 nan 8.270 nan 0.000 0.410 463 I N 4.160 124.685 120.570 -0.074 0.000 2.532 463 I HA 0.221 4.391 4.170 0.000 0.000 0.292 463 I C -0.337 175.668 176.117 -0.187 0.000 1.014 463 I CA -0.494 60.716 61.300 -0.150 0.000 1.340 463 I CB 0.843 38.698 38.000 -0.242 0.000 1.422 463 I HN 0.549 nan 8.210 nan 0.000 0.528 464 L N 5.683 126.773 121.223 -0.222 0.000 2.386 464 L HA 0.460 4.800 4.340 0.000 0.000 0.271 464 L C -1.298 175.469 176.870 -0.171 0.000 0.993 464 L CA -0.745 54.012 54.840 -0.139 0.000 0.819 464 L CB 1.840 43.794 42.059 -0.175 0.000 1.294 464 L HN 0.399 nan 8.230 nan 0.000 0.414 465 Y N 1.768 122.166 120.300 0.163 0.000 2.387 465 Y HA 0.566 5.116 4.550 0.000 0.000 0.336 465 Y C 0.003 175.968 175.900 0.109 0.000 1.067 465 Y CA -0.596 57.602 58.100 0.164 0.000 1.114 465 Y CB 1.833 40.356 38.460 0.105 0.000 1.208 465 Y HN 0.411 nan 8.280 nan 0.000 0.458 466 R N 2.305 122.946 120.500 0.235 0.000 2.476 466 R HA 0.263 4.604 4.340 0.000 0.000 0.305 466 R C -0.997 175.325 176.300 0.036 0.000 0.965 466 R CA -0.731 55.353 56.100 -0.027 0.000 0.867 466 R CB 0.960 31.140 30.300 -0.200 0.000 1.176 466 R HN 0.639 nan 8.270 nan 0.000 0.447 467 E N 2.048 122.231 120.200 -0.027 0.000 2.529 467 E HA 0.032 4.382 4.350 0.000 0.000 0.259 467 E C 0.845 177.446 176.600 0.001 0.000 0.966 467 E CA 1.602 57.998 56.400 -0.006 0.000 0.937 467 E CB 0.983 30.663 29.700 -0.034 0.000 0.923 467 E HN 0.973 nan 8.360 nan 0.000 0.468 468 G N 3.491 112.308 108.800 0.028 0.000 2.213 468 G HA2 -0.259 3.701 3.960 0.000 0.000 0.236 468 G HA3 -0.259 3.701 3.960 0.000 0.000 0.236 468 G C 0.130 175.068 174.900 0.064 0.000 0.991 468 G CA 0.114 45.233 45.100 0.033 0.000 0.629 468 G HN 0.477 nan 8.290 nan 0.000 0.517 469 E N -0.463 119.799 120.200 0.103 0.000 2.266 469 E HA 0.516 4.866 4.350 0.000 0.000 0.268 469 E C 0.626 177.327 176.600 0.169 0.000 0.879 469 E CA -0.709 55.777 56.400 0.144 0.000 0.762 469 E CB 2.064 31.897 29.700 0.221 0.000 1.199 469 E HN 0.127 nan 8.360 nan 0.000 0.422 470 K N 1.855 122.338 120.400 0.138 0.000 2.211 470 K HA 0.075 4.395 4.320 0.000 0.000 0.201 470 K C 0.751 177.457 176.600 0.176 0.000 1.052 470 K CA 0.401 56.776 56.287 0.147 0.000 0.973 470 K CB 0.077 32.635 32.500 0.096 0.000 0.766 470 K HN 0.598 nan 8.250 nan 0.000 0.466 471 G N 0.621 109.497 108.800 0.126 0.000 2.554 471 G HA2 0.308 4.268 3.960 0.000 0.000 0.238 471 G HA3 0.308 4.268 3.960 0.000 0.000 0.238 471 G C -0.807 174.143 174.900 0.083 0.000 1.259 471 G CA -0.147 44.993 45.100 0.067 0.000 0.843 471 G HN 0.349 nan 8.290 nan 0.000 0.582 472 A N 1.496 124.314 122.820 -0.003 0.000 2.252 472 A HA 0.630 4.950 4.320 0.000 0.000 0.309 472 A C -0.560 176.973 177.584 -0.084 0.000 1.285 472 A CA -0.586 51.396 52.037 -0.091 0.000 0.900 472 A CB 0.265 19.185 19.000 -0.134 0.000 1.157 472 A HN 0.581 nan 8.150 nan 0.000 0.536 473 Y N 1.131 121.347 120.300 -0.140 0.000 2.281 473 Y HA 0.474 5.024 4.550 0.000 0.000 0.337 473 Y C 1.466 177.272 175.900 -0.157 0.000 1.304 473 Y CA 0.700 58.729 58.100 -0.119 0.000 1.465 473 Y CB 1.164 39.518 38.460 -0.176 0.000 1.350 473 Y HN 0.731 nan 8.280 nan 0.000 0.575 474 T N -1.081 113.490 114.554 0.028 0.000 2.903 474 T HA 0.665 5.015 4.350 0.000 0.000 0.299 474 T C -0.982 173.658 174.700 -0.100 0.000 1.093 474 T CA -0.869 61.204 62.100 -0.044 0.000 1.002 474 T CB 1.083 69.914 68.868 -0.061 0.000 1.127 474 T HN 0.409 nan 8.240 nan 0.000 0.488 475 I N 2.631 123.135 120.570 -0.110 0.000 2.304 475 I HA 0.440 4.610 4.170 0.000 0.000 0.291 475 I C 0.849 176.823 176.117 -0.239 0.000 1.018 475 I CA -0.787 60.442 61.300 -0.118 0.000 1.260 475 I CB 0.900 38.867 38.000 -0.055 0.000 1.390 475 I HN 0.503 nan 8.210 nan 0.000 0.475 476 R N 4.010 124.310 120.500 -0.333 0.000 3.107 476 R HA 0.330 4.670 4.340 0.000 0.000 0.220 476 R C -0.232 175.967 176.300 -0.168 0.000 1.602 476 R CA -0.957 54.808 56.100 -0.558 0.000 1.005 476 R CB 0.295 29.983 30.300 -1.021 0.000 2.057 476 R HN 0.537 nan 8.270 nan 0.000 0.531 477 E N 2.140 122.270 120.200 -0.116 0.000 2.534 477 E HA -0.182 4.169 4.350 0.000 0.000 0.264 477 E C -0.416 176.187 176.600 0.006 0.000 0.981 477 E CA 0.272 56.666 56.400 -0.009 0.000 0.948 477 E CB -0.010 29.696 29.700 0.010 0.000 0.934 477 E HN 0.595 nan 8.360 nan 0.000 0.459 478 N N 2.012 120.716 118.700 0.007 0.000 2.863 478 N HA -0.225 4.515 4.740 0.000 0.000 0.245 478 N C 0.917 176.423 175.510 -0.005 0.000 1.001 478 N CA 1.684 54.735 53.050 0.001 0.000 0.901 478 N CB -1.636 36.854 38.487 0.006 0.000 1.124 478 N HN 1.069 nan 8.380 nan 0.000 0.582 479 G N -1.324 107.472 108.800 -0.006 0.000 2.143 479 G HA2 -0.321 3.639 3.960 0.000 0.000 0.249 479 G HA3 -0.321 3.639 3.960 0.000 0.000 0.249 479 G C 0.163 175.062 174.900 -0.002 0.000 0.981 479 G CA 0.676 45.768 45.100 -0.013 0.000 0.665 479 G HN 0.479 nan 8.290 nan 0.000 0.528 480 T N 1.032 115.605 114.554 0.031 0.000 2.853 480 T HA 0.400 4.750 4.350 0.000 0.000 0.298 480 T C 0.780 175.547 174.700 0.111 0.000 0.978 480 T CA 0.035 62.177 62.100 0.071 0.000 1.152 480 T CB 1.947 70.903 68.868 0.146 0.000 0.914 480 T HN 0.400 nan 8.240 nan 0.000 0.539 481 V N 4.941 124.873 119.914 0.029 0.000 2.461 481 V HA 0.256 4.376 4.120 0.000 0.000 0.275 481 V C -0.509 175.621 176.094 0.059 0.000 1.047 481 V CA -0.472 61.816 62.300 -0.020 0.000 0.955 481 V CB 0.039 31.709 31.823 -0.256 0.000 0.988 481 V HN 0.693 nan 8.190 nan 0.000 0.471 482 Y N 2.381 122.628 120.300 -0.087 0.000 2.387 482 Y HA 0.477 5.027 4.550 0.000 0.000 0.336 482 Y C 1.026 176.903 175.900 -0.037 0.000 1.067 482 Y CA -0.837 57.228 58.100 -0.058 0.000 1.114 482 Y CB 1.797 40.176 38.460 -0.135 0.000 1.208 482 Y HN 0.781 nan 8.280 nan 0.000 0.458 483 T N -0.251 114.301 114.554 -0.003 0.000 2.813 483 T HA 0.148 4.498 4.350 0.000 0.000 0.297 483 T C -1.990 172.488 174.700 -0.369 0.000 1.036 483 T CA -1.519 60.364 62.100 -0.362 0.000 1.044 483 T CB 0.993 69.741 68.868 -0.199 0.000 0.993 483 T HN 0.366 nan 8.240 nan 0.000 0.535 484 P HA -0.040 nan 4.420 nan 0.000 0.219 484 P C 0.749 177.971 177.300 -0.130 0.000 1.146 484 P CA 1.215 64.145 63.100 -0.284 0.000 0.808 484 P CB -0.214 31.323 31.700 -0.272 0.000 0.779 485 D N -2.663 117.668 120.400 -0.116 0.000 2.340 485 D HA 0.155 4.795 4.640 0.000 0.000 0.220 485 D C 1.170 177.469 176.300 -0.002 0.000 1.039 485 D CA 0.425 54.399 54.000 -0.045 0.000 0.866 485 D CB -0.757 40.021 40.800 -0.037 0.000 0.913 485 D HN 0.103 nan 8.370 nan 0.000 0.523 486 G N 0.024 108.837 108.800 0.022 0.000 2.132 486 G HA2 -0.267 3.693 3.960 0.000 0.000 0.228 486 G HA3 -0.267 3.693 3.960 0.000 0.000 0.228 486 G C -0.119 174.886 174.900 0.175 0.000 1.000 486 G CA -0.210 44.959 45.100 0.115 0.000 0.693 486 G HN 0.388 nan 8.290 nan 0.000 0.515 487 K N 0.245 120.685 120.400 0.066 0.000 2.221 487 K HA 0.726 5.047 4.320 0.000 0.000 0.258 487 K C 0.600 177.009 176.600 -0.319 0.000 0.944 487 K CA -0.128 56.125 56.287 -0.057 0.000 0.823 487 K CB 1.937 34.409 32.500 -0.048 0.000 1.113 487 K HN 0.488 nan 8.250 nan 0.000 0.431 488 A N 1.796 124.240 122.820 -0.627 0.000 2.445 488 A HA 0.271 4.591 4.320 0.000 0.000 0.242 488 A C 0.431 177.795 177.584 -0.367 0.000 1.075 488 A CA 0.009 51.489 52.037 -0.928 0.000 0.777 488 A CB 0.109 18.623 19.000 -0.810 0.000 1.013 488 A HN 0.802 nan 8.150 nan 0.000 0.493 489 T N -1.646 112.757 114.554 -0.252 0.000 2.841 489 T HA 0.517 4.867 4.350 0.000 0.000 0.276 489 T C 0.215 174.866 174.700 -0.081 0.000 1.003 489 T CA 0.099 62.172 62.100 -0.045 0.000 0.995 489 T CB 1.312 70.303 68.868 0.206 0.000 1.260 489 T HN 0.610 nan 8.240 nan 0.000 0.581 490 D N -1.180 119.144 120.400 -0.126 0.000 2.328 490 D HA 0.064 4.704 4.640 0.000 0.000 0.221 490 D C -0.391 175.774 176.300 -0.225 0.000 1.072 490 D CA -0.230 53.652 54.000 -0.196 0.000 0.850 490 D CB -0.489 40.163 40.800 -0.247 0.000 0.922 490 D HN 0.586 nan 8.370 nan 0.000 0.516 491 Y N 1.352 121.660 120.300 0.012 0.000 2.320 491 Y HA 0.412 4.963 4.550 0.000 0.000 0.324 491 Y C 1.116 177.002 175.900 -0.022 0.000 1.190 491 Y CA -0.848 57.270 58.100 0.030 0.000 1.215 491 Y CB 1.253 39.742 38.460 0.049 0.000 1.221 491 Y HN -0.113 nan 8.280 nan 0.000 0.486 492 R N 0.157 120.768 120.500 0.185 0.000 2.668 492 R HA 0.815 5.155 4.340 0.000 0.000 0.272 492 R C -2.447 173.912 176.300 0.099 0.000 1.019 492 R CA -0.904 55.247 56.100 0.086 0.000 0.894 492 R CB 1.283 31.606 30.300 0.038 0.000 1.228 492 R HN 0.437 nan 8.270 nan 0.000 0.460 493 V N 2.181 122.111 119.914 0.026 0.000 2.547 493 V HA 0.289 4.409 4.120 0.000 0.000 0.299 493 V C 0.056 176.159 176.094 0.014 0.000 1.040 493 V CA -0.986 61.320 62.300 0.009 0.000 0.913 493 V CB 1.988 33.772 31.823 -0.066 0.000 0.992 493 V HN 0.588 nan 8.190 nan 0.000 0.449 494 V N 5.595 125.532 119.914 0.039 0.000 2.364 494 V HA 0.035 4.155 4.120 0.000 0.000 0.252 494 V C 1.027 177.123 176.094 0.004 0.000 1.075 494 V CA 0.493 62.811 62.300 0.030 0.000 1.033 494 V CB 0.956 32.832 31.823 0.088 0.000 1.116 494 V HN 0.837 nan 8.190 nan 0.000 0.488 495 V N 0.244 120.151 119.914 -0.012 0.000 3.590 495 V HA 0.317 4.438 4.120 0.000 0.000 0.265 495 V C 0.473 176.543 176.094 -0.039 0.000 1.239 495 V CA 0.535 62.818 62.300 -0.027 0.000 1.117 495 V CB 0.106 31.915 31.823 -0.023 0.000 0.818 495 V HN 0.706 nan 8.190 nan 0.000 0.451 496 D N 3.015 123.403 120.400 -0.019 0.000 2.441 496 D HA 0.331 4.972 4.640 0.000 0.000 0.287 496 D C -2.678 173.645 176.300 0.037 0.000 1.198 496 D CA -0.876 53.115 54.000 -0.014 0.000 0.894 496 D CB 1.414 42.209 40.800 -0.008 0.000 1.070 496 D HN 0.383 nan 8.370 nan 0.000 0.499 497 P HA -0.003 nan 4.420 nan 0.000 0.269 497 P C 0.822 178.302 177.300 0.300 0.000 1.209 497 P CA -0.184 63.033 63.100 0.195 0.000 0.776 497 P CB 1.681 33.542 31.700 0.268 0.000 0.876 498 V N -1.315 118.726 119.914 0.211 0.000 3.451 498 V HA 0.269 4.389 4.120 0.000 0.000 0.288 498 V C 0.631 176.751 176.094 0.042 0.000 1.502 498 V CA 0.040 62.428 62.300 0.147 0.000 1.026 498 V CB -0.459 31.416 31.823 0.085 0.000 0.840 498 V HN 0.243 nan 8.190 nan 0.000 0.437 499 K N 1.747 122.172 120.400 0.043 0.000 2.168 499 K HA 0.413 4.733 4.320 0.000 0.000 0.258 499 K C -2.517 173.998 176.600 -0.143 0.000 1.010 499 K CA -1.690 54.587 56.287 -0.016 0.000 0.929 499 K CB 0.254 32.776 32.500 0.036 0.000 0.998 499 K HN 0.149 nan 8.250 nan 0.000 0.479 500 P HA -0.120 nan 4.420 nan 0.000 0.264 500 P C -0.316 176.881 177.300 -0.173 0.000 1.183 500 P CA 0.834 63.835 63.100 -0.164 0.000 0.763 500 P CB 0.515 32.172 31.700 -0.072 0.000 0.807 501 A N 3.504 126.169 122.820 -0.259 0.000 3.132 501 A HA -0.288 4.032 4.320 0.000 0.000 0.266 501 A C 0.601 178.196 177.584 0.018 0.000 1.216 501 A CA 1.169 53.135 52.037 -0.118 0.000 0.985 501 A CB -2.959 16.031 19.000 -0.016 0.000 1.102 501 A HN 0.647 nan 8.150 nan 0.000 0.833 502 Y N -1.748 118.599 120.300 0.079 0.000 3.389 502 Y HA -0.292 4.258 4.550 0.000 0.000 0.213 502 Y C 1.561 177.534 175.900 0.122 0.000 1.272 502 Y CA 1.290 59.445 58.100 0.092 0.000 1.444 502 Y CB -2.538 35.976 38.460 0.089 0.000 1.445 502 Y HN 1.256 nan 8.280 nan 0.000 0.583 503 S N -0.929 114.879 115.700 0.180 0.000 2.547 503 S HA -0.134 4.336 4.470 0.000 0.000 0.235 503 S C 1.303 176.016 174.600 0.189 0.000 0.980 503 S CA 0.919 59.227 58.200 0.179 0.000 0.941 503 S CB -0.028 63.244 63.200 0.121 0.000 0.763 503 S HN 0.670 nan 8.310 nan 0.000 0.532 504 D N 0.559 121.071 120.400 0.186 0.000 2.349 504 D HA 0.069 4.709 4.640 0.000 0.000 0.214 504 D C 0.455 176.857 176.300 0.170 0.000 1.063 504 D CA -0.186 53.913 54.000 0.166 0.000 0.847 504 D CB -0.282 40.611 40.800 0.155 0.000 0.933 504 D HN 0.408 nan 8.370 nan 0.000 0.513 505 K N 0.545 121.081 120.400 0.227 0.000 2.451 505 K HA 0.233 4.553 4.320 0.000 0.000 0.280 505 K C 1.076 177.795 176.600 0.197 0.000 1.020 505 K CA 1.115 57.536 56.287 0.224 0.000 1.008 505 K CB 0.178 32.848 32.500 0.284 0.000 0.917 505 K HN 0.160 nan 8.250 nan 0.000 0.478 506 G N 2.953 111.744 108.800 -0.015 0.000 2.199 506 G HA2 -0.224 3.736 3.960 0.000 0.000 0.254 506 G HA3 -0.224 3.736 3.960 0.000 0.000 0.254 506 G C -0.338 174.369 174.900 -0.322 0.000 0.982 506 G CA 0.159 45.002 45.100 -0.428 0.000 0.632 506 G HN 0.742 nan 8.290 nan 0.000 0.529 507 D N 0.596 120.927 120.400 -0.116 0.000 2.488 507 D HA 0.319 4.959 4.640 0.000 0.000 0.238 507 D C 0.447 176.734 176.300 -0.022 0.000 1.138 507 D CA 0.163 54.109 54.000 -0.090 0.000 0.873 507 D CB 0.927 41.775 40.800 0.080 0.000 1.183 507 D HN 0.189 nan 8.370 nan 0.000 0.458 508 L N 4.175 125.329 121.223 -0.115 0.000 2.305 508 L HA 0.329 4.670 4.340 0.000 0.000 0.284 508 L C -1.363 175.498 176.870 -0.015 0.000 1.013 508 L CA -0.547 54.291 54.840 -0.003 0.000 0.819 508 L CB 0.186 42.227 42.059 -0.030 0.000 1.227 508 L HN 0.314 nan 8.230 nan 0.000 0.417 509 Y N 3.802 124.147 120.300 0.074 0.000 2.487 509 Y HA 0.443 4.993 4.550 0.000 0.000 0.337 509 Y C 0.149 176.133 175.900 0.140 0.000 1.076 509 Y CA -0.582 57.567 58.100 0.082 0.000 1.115 509 Y CB 1.779 40.258 38.460 0.032 0.000 1.235 509 Y HN 0.434 nan 8.280 nan 0.000 0.468 510 K N 1.784 122.313 120.400 0.216 0.000 2.559 510 K HA 0.508 4.828 4.320 0.000 0.000 0.249 510 K C 0.410 177.006 176.600 -0.007 0.000 0.958 510 K CA 0.390 56.675 56.287 -0.003 0.000 0.901 510 K CB 0.530 33.003 32.500 -0.046 0.000 1.124 510 K HN 0.908 nan 8.250 nan 0.000 0.437 511 G N 4.003 112.778 108.800 -0.042 0.000 2.595 511 G HA2 -0.374 3.587 3.960 0.000 0.000 0.297 511 G HA3 -0.374 3.587 3.960 0.000 0.000 0.297 511 G C 0.401 175.326 174.900 0.043 0.000 1.181 511 G CA 0.571 45.657 45.100 -0.023 0.000 0.963 511 G HN 0.639 nan 8.290 nan 0.000 0.541 512 N N 0.773 119.516 118.700 0.072 0.000 2.170 512 N HA 0.261 5.001 4.740 0.000 0.000 0.222 512 N C 0.191 175.849 175.510 0.245 0.000 1.218 512 N CA 0.722 53.837 53.050 0.110 0.000 0.889 512 N CB 0.509 39.020 38.487 0.041 0.000 1.083 512 N HN 0.636 nan 8.380 nan 0.000 0.520 513 Q N 1.101 121.035 119.800 0.223 0.000 2.293 513 Q HA 0.285 4.625 4.340 0.000 0.000 0.261 513 Q C -1.118 174.892 176.000 0.016 0.000 0.960 513 Q CA -0.885 55.004 55.803 0.144 0.000 0.882 513 Q CB 1.114 29.885 28.738 0.055 0.000 1.275 513 Q HN 0.175 nan 8.270 nan 0.000 0.445 514 L N 5.229 126.302 121.223 -0.250 0.000 2.418 514 L HA 0.106 4.446 4.340 0.000 0.000 0.274 514 L C -0.394 176.290 176.870 -0.311 0.000 1.135 514 L CA 0.767 55.162 54.840 -0.742 0.000 0.870 514 L CB 0.414 42.064 42.059 -0.682 0.000 1.154 514 L HN 0.925 nan 8.230 nan 0.000 0.462 515 L N 4.579 125.651 121.223 -0.253 0.000 2.388 515 L HA 0.485 4.825 4.340 0.000 0.000 0.209 515 L C 1.109 177.935 176.870 -0.072 0.000 1.061 515 L CA 0.527 55.313 54.840 -0.090 0.000 0.834 515 L CB -0.018 42.045 42.059 0.006 0.000 1.029 515 L HN 0.871 nan 8.230 nan 0.000 0.473 516 G N -0.649 108.074 108.800 -0.130 0.000 2.485 516 G HA2 0.119 4.080 3.960 0.000 0.000 0.182 516 G HA3 0.119 4.080 3.960 0.000 0.000 0.182 516 G C -1.919 172.787 174.900 -0.322 0.000 1.172 516 G CA -0.445 44.594 45.100 -0.101 0.000 0.996 516 G HN 0.069 nan 8.290 nan 0.000 0.496 517 N N -0.737 117.614 118.700 -0.582 0.000 2.324 517 N HA 0.397 5.137 4.740 0.000 0.000 0.285 517 N C 1.091 176.240 175.510 -0.602 0.000 1.076 517 N CA -0.425 52.133 53.050 -0.819 0.000 0.864 517 N CB 1.851 39.387 38.487 -1.585 0.000 1.632 517 N HN 0.704 nan 8.380 nan 0.000 0.478 518 I N -0.253 120.015 120.570 -0.504 0.000 3.083 518 I HA -0.033 4.138 4.170 0.000 0.000 0.273 518 I C 0.098 176.090 176.117 -0.207 0.000 1.297 518 I CA 0.902 62.004 61.300 -0.330 0.000 1.452 518 I CB -0.287 37.504 38.000 -0.348 0.000 1.078 518 I HN 0.577 nan 8.210 nan 0.000 0.484 519 Y N 0.325 120.575 120.300 -0.083 0.000 2.457 519 Y HA 0.341 4.891 4.550 0.000 0.000 0.263 519 Y C 0.817 176.877 175.900 0.267 0.000 1.164 519 Y CA -0.733 57.408 58.100 0.068 0.000 1.274 519 Y CB 0.068 38.580 38.460 0.086 0.000 1.097 519 Y HN 0.013 nan 8.280 nan 0.000 0.523 520 F N 1.094 121.135 119.950 0.151 0.000 2.427 520 F HA 0.098 4.626 4.527 0.000 0.000 0.352 520 F C 1.235 177.083 175.800 0.079 0.000 1.100 520 F CA -0.364 57.695 58.000 0.099 0.000 1.191 520 F CB 1.402 40.434 39.000 0.054 0.000 1.128 520 F HN -0.030 nan 8.300 nan 0.000 0.533 521 T N -2.571 112.131 114.554 0.246 0.000 3.010 521 T HA 0.099 4.449 4.350 0.000 0.000 0.257 521 T C 0.377 175.123 174.700 0.077 0.000 1.020 521 T CA 0.128 62.314 62.100 0.143 0.000 0.938 521 T CB 0.139 69.076 68.868 0.115 0.000 1.049 521 T HN 0.620 nan 8.240 nan 0.000 0.522 522 T N -0.483 114.102 114.554 0.053 0.000 2.906 522 T HA 0.463 4.814 4.350 0.000 0.000 0.295 522 T C -0.338 174.360 174.700 -0.005 0.000 1.075 522 T CA -0.690 61.415 62.100 0.007 0.000 1.005 522 T CB 0.940 69.794 68.868 -0.023 0.000 1.136 522 T HN 0.238 nan 8.240 nan 0.000 0.498 523 N N 0.776 119.468 118.700 -0.013 0.000 2.708 523 N HA -0.174 4.566 4.740 0.000 0.000 0.251 523 N C -0.563 174.951 175.510 0.006 0.000 1.017 523 N CA 0.314 53.354 53.050 -0.017 0.000 0.742 523 N CB -0.899 37.565 38.487 -0.040 0.000 0.943 523 N HN 0.595 nan 8.380 nan 0.000 0.539 524 K N 0.170 120.590 120.400 0.033 0.000 2.436 524 K HA 0.034 4.354 4.320 0.000 0.000 0.275 524 K C 1.575 178.198 176.600 0.038 0.000 0.999 524 K CA 0.764 57.095 56.287 0.073 0.000 0.980 524 K CB 0.468 33.004 32.500 0.060 0.000 0.919 524 K HN 0.262 nan 8.250 nan 0.000 0.484 525 T N -2.795 111.798 114.554 0.064 0.000 3.023 525 T HA 0.009 4.359 4.350 0.000 0.000 0.253 525 T C 0.768 175.464 174.700 -0.007 0.000 1.038 525 T CA -0.309 61.807 62.100 0.027 0.000 0.962 525 T CB 0.148 69.044 68.868 0.046 0.000 1.018 525 T HN 0.495 nan 8.240 nan 0.000 0.521 526 S N 1.056 116.741 115.700 -0.026 0.000 2.689 526 S HA 0.640 5.110 4.470 0.000 0.000 0.306 526 S C -2.560 171.906 174.600 -0.223 0.000 1.104 526 S CA -1.402 56.742 58.200 -0.093 0.000 0.973 526 S CB 1.878 65.040 63.200 -0.063 0.000 1.121 526 S HN -0.090 nan 8.310 nan 0.000 0.523 527 P HA 0.323 nan 4.420 nan 0.000 0.245 527 P C -0.836 175.899 177.300 -0.943 0.000 1.206 527 P CA 0.369 62.976 63.100 -0.821 0.000 0.781 527 P CB -0.078 30.853 31.700 -1.281 0.000 0.994 528 F N 0.678 120.466 119.950 -0.271 0.000 2.532 528 F HA 0.571 5.099 4.527 0.000 0.000 0.321 528 F C 0.842 176.565 175.800 -0.129 0.000 1.089 528 F CA -1.098 56.758 58.000 -0.240 0.000 0.926 528 F CB 1.802 40.598 39.000 -0.341 0.000 1.168 528 F HN -0.320 nan 8.300 nan 0.000 0.459 529 R N 2.154 122.750 120.500 0.160 0.000 2.707 529 R HA 0.801 5.142 4.340 0.000 0.000 0.272 529 R C -1.223 175.188 176.300 0.185 0.000 1.011 529 R CA -1.017 55.164 56.100 0.135 0.000 0.893 529 R CB 1.693 32.083 30.300 0.150 0.000 1.233 529 R HN 0.725 nan 8.270 nan 0.000 0.464 530 I N -0.035 120.637 120.570 0.171 0.000 3.211 530 I HA 0.566 4.736 4.170 0.000 0.000 0.297 530 I C 0.446 176.762 176.117 0.330 0.000 1.095 530 I CA -0.909 60.511 61.300 0.200 0.000 1.239 530 I CB 0.630 38.724 38.000 0.156 0.000 1.455 530 I HN 0.783 nan 8.210 nan 0.000 0.630 531 A N 2.201 125.249 122.820 0.380 0.000 2.511 531 A HA 0.191 4.511 4.320 0.000 0.000 0.242 531 A C 0.119 177.883 177.584 0.300 0.000 1.069 531 A CA -0.352 51.910 52.037 0.376 0.000 0.763 531 A CB -0.189 19.013 19.000 0.336 0.000 1.001 531 A HN 0.723 nan 8.150 nan 0.000 0.498 532 K N 2.085 122.587 120.400 0.171 0.000 2.278 532 K HA 0.288 4.608 4.320 0.000 0.000 0.289 532 K C -0.831 175.847 176.600 0.131 0.000 1.080 532 K CA 0.177 56.566 56.287 0.169 0.000 0.934 532 K CB 0.187 32.739 32.500 0.086 0.000 1.093 532 K HN 0.783 nan 8.250 nan 0.000 0.459 533 D N 0.124 120.628 120.400 0.173 0.000 2.768 533 D HA 0.121 4.762 4.640 0.000 0.000 0.327 533 D C -1.420 174.805 176.300 -0.126 0.000 1.302 533 D CA -0.520 53.451 54.000 -0.047 0.000 0.897 533 D CB 1.548 42.171 40.800 -0.295 0.000 1.420 533 D HN 0.179 nan 8.370 nan 0.000 0.494 534 S N 0.223 115.710 115.700 -0.355 0.000 2.480 534 S HA 0.647 5.118 4.470 0.000 0.000 0.286 534 S C -1.282 172.856 174.600 -0.770 0.000 1.180 534 S CA -0.333 57.494 58.200 -0.621 0.000 1.075 534 S CB -0.041 62.951 63.200 -0.347 0.000 0.996 534 S HN 0.297 nan 8.310 nan 0.000 0.487 535 Y N 2.458 122.424 120.300 -0.558 0.000 2.598 535 Y HA 0.715 5.266 4.550 0.000 0.000 0.340 535 Y C -0.537 175.126 175.900 -0.395 0.000 1.038 535 Y CA -1.201 56.692 58.100 -0.345 0.000 1.100 535 Y CB 1.354 39.672 38.460 -0.237 0.000 1.281 535 Y HN 0.516 nan 8.280 nan 0.000 0.488 536 L N 1.732 122.929 121.223 -0.043 0.000 2.376 536 L HA 0.492 4.832 4.340 0.000 0.000 0.275 536 L C -1.737 175.170 176.870 0.062 0.000 0.987 536 L CA -0.802 53.958 54.840 -0.134 0.000 0.828 536 L CB 0.662 42.591 42.059 -0.217 0.000 1.249 536 L HN 0.539 nan 8.230 nan 0.000 0.409 537 W N 5.353 126.388 121.300 -0.441 0.000 2.655 537 W HA 0.740 5.400 4.660 0.000 0.000 0.358 537 W C -0.189 175.887 176.519 -0.738 0.000 1.100 537 W CA -1.008 56.013 57.345 -0.540 0.000 1.195 537 W CB 1.599 30.727 29.460 -0.555 0.000 1.403 537 W HN 0.226 nan 8.180 nan 0.000 0.589 538 M N 1.955 121.393 119.600 -0.271 0.000 2.378 538 M HA 0.481 4.961 4.480 0.000 0.000 0.289 538 M C -1.548 174.825 176.300 0.122 0.000 1.136 538 M CA -0.134 55.096 55.300 -0.117 0.000 0.917 538 M CB 1.997 34.573 32.600 -0.040 0.000 1.669 538 M HN 0.351 nan 8.290 nan 0.000 0.461 539 S N 3.877 119.782 115.700 0.340 0.000 2.568 539 S HA 0.887 5.357 4.470 0.000 0.000 0.293 539 S C -1.584 173.395 174.600 0.631 0.000 1.089 539 S CA -0.487 57.958 58.200 0.408 0.000 0.945 539 S CB 1.933 65.403 63.200 0.449 0.000 1.077 539 S HN 0.632 nan 8.310 nan 0.000 0.485 540 Y N -1.013 119.563 120.300 0.460 0.000 2.588 540 Y HA 0.856 5.407 4.550 0.000 0.000 0.343 540 Y C -0.610 175.230 175.900 -0.101 0.000 1.065 540 Y CA -1.084 57.135 58.100 0.198 0.000 1.038 540 Y CB 1.219 39.628 38.460 -0.086 0.000 1.297 540 Y HN 0.510 nan 8.280 nan 0.000 0.467 541 S N 0.614 116.120 115.700 -0.322 0.000 2.557 541 S HA 0.412 4.882 4.470 0.000 0.000 0.291 541 S C -1.002 173.422 174.600 -0.292 0.000 1.116 541 S CA -0.631 57.197 58.200 -0.621 0.000 0.992 541 S CB 0.987 63.296 63.200 -1.484 0.000 1.028 541 S HN 0.782 nan 8.310 nan 0.000 0.484 542 D N 2.371 122.669 120.400 -0.169 0.000 2.395 542 D HA 0.143 4.783 4.640 0.000 0.000 0.213 542 D C -0.308 175.918 176.300 -0.123 0.000 1.110 542 D CA 0.194 54.130 54.000 -0.107 0.000 0.835 542 D CB 0.517 41.304 40.800 -0.021 0.000 0.965 542 D HN 0.731 nan 8.370 nan 0.000 0.505 543 D N -0.124 120.169 120.400 -0.179 0.000 2.891 543 D HA 0.097 4.738 4.640 0.000 0.000 0.332 543 D C 0.030 176.245 176.300 -0.142 0.000 1.369 543 D CA -0.616 53.303 54.000 -0.135 0.000 0.827 543 D CB 0.144 40.877 40.800 -0.111 0.000 1.141 543 D HN -0.254 nan 8.370 nan 0.000 0.464 544 D N -0.010 120.303 120.400 -0.145 0.000 2.870 544 D HA -0.156 4.484 4.640 0.000 0.000 0.228 544 D C 1.321 177.561 176.300 -0.099 0.000 1.147 544 D CA 1.982 55.921 54.000 -0.100 0.000 0.757 544 D CB -1.200 39.566 40.800 -0.056 0.000 1.091 544 D HN 0.761 nan 8.370 nan 0.000 0.429 545 G N -1.020 107.629 108.800 -0.251 0.000 2.175 545 G HA2 -0.402 3.558 3.960 0.000 0.000 0.244 545 G HA3 -0.402 3.558 3.960 0.000 0.000 0.244 545 G C 1.153 176.018 174.900 -0.057 0.000 0.982 545 G CA 0.741 45.725 45.100 -0.193 0.000 0.641 545 G HN 0.539 nan 8.290 nan 0.000 0.527 546 K N 0.141 120.476 120.400 -0.109 0.000 2.062 546 K HA 0.108 4.429 4.320 0.000 0.000 0.205 546 K C 1.423 178.026 176.600 0.006 0.000 1.051 546 K CA 1.594 57.877 56.287 -0.007 0.000 0.941 546 K CB -0.076 32.409 32.500 -0.025 0.000 0.719 546 K HN 0.685 nan 8.250 nan 0.000 0.440 547 T N -2.249 112.205 114.554 -0.167 0.000 2.906 547 T HA 0.508 4.858 4.350 0.000 0.000 0.295 547 T C -1.418 173.085 174.700 -0.327 0.000 1.061 547 T CA -0.997 61.062 62.100 -0.068 0.000 1.000 547 T CB 1.288 70.141 68.868 -0.025 0.000 1.103 547 T HN 0.115 nan 8.240 nan 0.000 0.486 548 W N 1.107 122.435 121.300 0.047 0.000 2.864 548 W HA 0.639 5.299 4.660 0.000 0.000 0.343 548 W C 0.523 177.047 176.519 0.009 0.000 1.109 548 W CA -0.744 56.614 57.345 0.021 0.000 1.192 548 W CB 1.890 31.407 29.460 0.095 0.000 1.426 548 W HN 0.998 nan 8.180 nan 0.000 0.529 549 S N 1.285 116.954 115.700 -0.052 0.000 2.624 549 S HA 0.741 5.211 4.470 0.000 0.000 0.263 549 S C 0.197 174.636 174.600 -0.269 0.000 1.287 549 S CA -0.665 57.374 58.200 -0.268 0.000 0.990 549 S CB 0.787 63.471 63.200 -0.861 0.000 0.950 549 S HN 0.737 nan 8.310 nan 0.000 0.561 550 A N 1.556 124.042 122.820 -0.557 0.000 2.407 550 A HA 0.537 4.857 4.320 0.000 0.000 0.248 550 A C -2.363 174.919 177.584 -0.503 0.000 1.082 550 A CA -1.462 49.959 52.037 -1.027 0.000 0.785 550 A CB -1.056 17.463 19.000 -0.801 0.000 1.020 550 A HN 0.704 nan 8.150 nan 0.000 0.489 551 P HA 0.067 nan 4.420 nan 0.000 0.264 551 P C -0.607 176.407 177.300 -0.476 0.000 1.183 551 P CA 0.326 63.209 63.100 -0.362 0.000 0.763 551 P CB 0.359 31.760 31.700 -0.498 0.000 0.807 552 Q N 2.163 121.756 119.800 -0.344 0.000 2.333 552 Q HA 0.229 4.569 4.340 0.000 0.000 0.267 552 Q C -0.990 174.802 176.000 -0.347 0.000 1.012 552 Q CA -0.750 54.891 55.803 -0.270 0.000 0.824 552 Q CB 1.049 29.763 28.738 -0.039 0.000 1.290 552 Q HN 0.278 nan 8.270 nan 0.000 0.449 553 D N 4.539 124.746 120.400 -0.321 0.000 2.393 553 D HA 0.100 4.740 4.640 0.000 0.000 0.232 553 D C 0.772 177.054 176.300 -0.031 0.000 1.192 553 D CA -0.237 53.694 54.000 -0.116 0.000 0.882 553 D CB 0.479 41.294 40.800 0.025 0.000 1.038 553 D HN 0.683 nan 8.370 nan 0.000 0.499 554 I N 0.408 120.952 120.570 -0.042 0.000 3.883 554 I HA 0.032 4.202 4.170 0.000 0.000 0.326 554 I C 1.263 177.311 176.117 -0.115 0.000 1.283 554 I CA -0.278 60.961 61.300 -0.101 0.000 1.161 554 I CB -0.098 37.765 38.000 -0.228 0.000 1.012 554 I HN 0.043 nan 8.210 nan 0.000 0.421 555 T N 3.148 117.683 114.554 -0.032 0.000 2.649 555 T HA -0.122 4.228 4.350 0.000 0.000 0.268 555 T C -0.229 174.364 174.700 -0.178 0.000 1.036 555 T CA 2.315 64.386 62.100 -0.047 0.000 1.157 555 T CB -1.663 67.324 68.868 0.199 0.000 0.861 555 T HN 0.447 nan 8.240 nan 0.000 0.445 556 P HA -0.016 nan 4.420 nan 0.000 0.222 556 P C 1.343 178.481 177.300 -0.270 0.000 1.147 556 P CA 1.151 63.954 63.100 -0.495 0.000 0.790 556 P CB -0.243 30.949 31.700 -0.848 0.000 0.780 557 M N -0.756 118.719 119.600 -0.208 0.000 2.419 557 M HA -0.028 4.452 4.480 0.000 0.000 0.264 557 M C 1.707 177.922 176.300 -0.142 0.000 1.082 557 M CA 1.282 56.484 55.300 -0.163 0.000 1.119 557 M CB -0.012 32.505 32.600 -0.138 0.000 1.398 557 M HN -0.094 nan 8.290 nan 0.000 0.453 558 V N -4.289 115.537 119.914 -0.146 0.000 3.426 558 V HA 0.265 4.385 4.120 0.000 0.000 0.279 558 V C 0.415 176.413 176.094 -0.161 0.000 1.544 558 V CA -0.398 61.824 62.300 -0.129 0.000 1.017 558 V CB -0.173 31.574 31.823 -0.125 0.000 0.821 558 V HN 0.126 nan 8.190 nan 0.000 0.432 559 K N 2.285 122.570 120.400 -0.191 0.000 2.262 559 K HA 0.720 5.040 4.320 0.000 0.000 0.282 559 K C 0.349 176.801 176.600 -0.246 0.000 1.066 559 K CA 0.224 56.361 56.287 -0.251 0.000 0.901 559 K CB 1.229 33.581 32.500 -0.246 0.000 1.089 559 K HN 0.573 nan 8.250 nan 0.000 0.476 560 A N 3.479 126.082 122.820 -0.363 0.000 2.346 560 A HA 0.076 4.396 4.320 0.000 0.000 0.252 560 A C 0.471 177.851 177.584 -0.339 0.000 1.089 560 A CA -0.324 51.504 52.037 -0.349 0.000 0.797 560 A CB 0.257 18.940 19.000 -0.529 0.000 1.047 560 A HN 0.933 nan 8.150 nan 0.000 0.494 561 D N 0.685 121.002 120.400 -0.138 0.000 2.218 561 D HA -0.161 4.479 4.640 0.000 0.000 0.204 561 D C 1.558 177.866 176.300 0.013 0.000 0.976 561 D CA 1.675 55.656 54.000 -0.033 0.000 0.853 561 D CB -0.234 40.601 40.800 0.057 0.000 0.939 561 D HN 0.921 nan 8.370 nan 0.000 0.481 562 W N 0.629 121.945 121.300 0.027 0.000 2.770 562 W HA 0.192 4.852 4.660 0.000 0.000 0.256 562 W C 0.489 177.028 176.519 0.032 0.000 1.291 562 W CA -0.524 56.840 57.345 0.031 0.000 1.396 562 W CB -0.578 28.907 29.460 0.042 0.000 1.114 562 W HN -0.202 nan 8.180 nan 0.000 0.637 563 M N 2.435 121.673 119.600 -0.603 0.000 2.238 563 M HA 0.034 4.514 4.480 0.000 0.000 0.350 563 M C 1.362 177.567 176.300 -0.159 0.000 1.321 563 M CA 0.768 55.721 55.300 -0.579 0.000 1.097 563 M CB 1.480 33.558 32.600 -0.871 0.000 1.713 563 M HN -0.085 nan 8.290 nan 0.000 0.455 564 K N 3.506 123.916 120.400 0.016 0.000 2.139 564 K HA 0.159 4.479 4.320 0.000 0.000 0.217 564 K C 0.021 176.651 176.600 0.051 0.000 1.025 564 K CA 0.205 56.519 56.287 0.044 0.000 0.947 564 K CB 0.212 32.771 32.500 0.099 0.000 0.897 564 K HN 0.503 nan 8.250 nan 0.000 0.457 565 F N 1.936 121.896 119.950 0.017 0.000 2.385 565 F HA 0.459 4.986 4.527 0.000 0.000 0.336 565 F C -1.154 174.552 175.800 -0.157 0.000 1.100 565 F CA -1.022 56.960 58.000 -0.029 0.000 1.116 565 F CB 1.200 40.242 39.000 0.071 0.000 1.166 565 F HN 0.078 nan 8.300 nan 0.000 0.511 566 L N 6.139 126.618 121.223 -1.241 0.000 2.504 566 L HA 0.795 5.135 4.340 0.000 0.000 0.265 566 L C -0.896 175.151 176.870 -1.370 0.000 0.975 566 L CA 0.010 54.199 54.840 -1.084 0.000 0.864 566 L CB 1.345 43.043 42.059 -0.601 0.000 1.212 566 L HN 0.773 nan 8.230 nan 0.000 0.416 567 G N 2.813 110.736 108.800 -1.462 0.000 2.680 567 G HA2 0.631 4.591 3.960 0.000 0.000 0.290 567 G HA3 0.631 4.591 3.960 0.000 0.000 0.290 567 G C -0.970 173.776 174.900 -0.257 0.000 1.355 567 G CA -0.193 44.441 45.100 -0.776 0.000 0.903 567 G HN 0.909 nan 8.290 nan 0.000 0.474 568 V N -1.447 118.460 119.914 -0.012 0.000 3.083 568 V HA 0.832 4.952 4.120 0.000 0.000 0.306 568 V C 0.761 177.051 176.094 0.325 0.000 1.077 568 V CA -0.089 62.282 62.300 0.119 0.000 1.073 568 V CB 1.428 33.307 31.823 0.094 0.000 1.081 568 V HN 1.192 nan 8.190 nan 0.000 0.474 569 G N 2.952 111.926 108.800 0.291 0.000 2.571 569 G HA2 0.538 4.498 3.960 0.000 0.000 0.327 569 G HA3 0.538 4.498 3.960 0.000 0.000 0.327 569 G C -2.217 172.804 174.900 0.203 0.000 1.008 569 G CA -1.349 43.908 45.100 0.262 0.000 1.136 569 G HN 0.800 nan 8.290 nan 0.000 0.444 570 P HA 0.172 nan 4.420 nan 0.000 0.263 570 P C 0.842 178.249 177.300 0.179 0.000 1.175 570 P CA 1.117 64.346 63.100 0.216 0.000 0.761 570 P CB 1.397 33.269 31.700 0.287 0.000 0.794 571 G N 2.338 111.246 108.800 0.180 0.000 2.295 571 G HA2 0.059 4.020 3.960 0.000 0.000 0.155 571 G HA3 0.059 4.020 3.960 0.000 0.000 0.155 571 G C -1.394 173.619 174.900 0.190 0.000 1.307 571 G CA -0.466 44.739 45.100 0.175 0.000 1.140 571 G HN 0.556 nan 8.290 nan 0.000 0.470 572 T N 1.001 115.672 114.554 0.195 0.000 2.809 572 T HA 0.670 5.020 4.350 0.000 0.000 0.284 572 T C 0.691 175.520 174.700 0.215 0.000 0.992 572 T CA 0.402 62.630 62.100 0.213 0.000 0.957 572 T CB 1.295 70.295 68.868 0.219 0.000 0.942 572 T HN 1.274 nan 8.240 nan 0.000 0.439 573 G N 2.001 110.938 108.800 0.227 0.000 2.588 573 G HA2 0.736 4.697 3.960 0.000 0.000 0.278 573 G HA3 0.736 4.697 3.960 0.000 0.000 0.278 573 G C -0.219 174.819 174.900 0.231 0.000 1.307 573 G CA -0.721 44.517 45.100 0.230 0.000 1.016 573 G HN 0.916 nan 8.290 nan 0.000 0.503 574 I N -3.914 116.790 120.570 0.224 0.000 3.174 574 I HA 0.783 4.953 4.170 0.000 0.000 0.313 574 I C -1.229 175.003 176.117 0.191 0.000 1.155 574 I CA -1.271 60.151 61.300 0.204 0.000 0.977 574 I CB 2.306 40.419 38.000 0.188 0.000 1.248 574 I HN 0.290 nan 8.210 nan 0.000 0.453 575 V N 3.601 123.613 119.914 0.163 0.000 2.487 575 V HA 0.387 4.508 4.120 0.000 0.000 0.298 575 V C 0.133 176.288 176.094 0.103 0.000 1.028 575 V CA -0.670 61.713 62.300 0.140 0.000 0.860 575 V CB 1.662 33.574 31.823 0.148 0.000 0.991 575 V HN 0.537 nan 8.190 nan 0.000 0.427 576 L N 5.129 126.401 121.223 0.082 0.000 2.499 576 L HA 0.249 4.589 4.340 0.000 0.000 0.273 576 L C 1.481 178.376 176.870 0.042 0.000 1.195 576 L CA 0.236 55.109 54.840 0.055 0.000 0.882 576 L CB 0.245 42.333 42.059 0.049 0.000 1.133 576 L HN 0.714 nan 8.230 nan 0.000 0.483 577 R N 1.827 122.337 120.500 0.016 0.000 2.223 577 R HA 0.062 4.402 4.340 0.000 0.000 0.198 577 R C -0.017 176.282 176.300 -0.002 0.000 0.984 577 R CA 0.374 56.478 56.100 0.006 0.000 1.018 577 R CB 0.013 30.298 30.300 -0.026 0.000 0.945 577 R HN 0.813 nan 8.270 nan 0.000 0.479 578 N N -1.115 117.580 118.700 -0.008 0.000 2.853 578 N HA 0.511 5.251 4.740 0.000 0.000 0.258 578 N C -0.346 175.153 175.510 -0.020 0.000 1.444 578 N CA -0.104 52.937 53.050 -0.014 0.000 0.837 578 N CB 1.311 39.787 38.487 -0.018 0.000 1.489 578 N HN 0.038 nan 8.380 nan 0.000 0.529 579 G N -1.213 107.565 108.800 -0.038 0.000 2.757 579 G HA2 -0.137 3.823 3.960 0.000 0.000 0.638 579 G HA3 -0.137 3.823 3.960 0.000 0.000 0.638 579 G C -2.134 172.690 174.900 -0.126 0.000 1.344 579 G CA -0.365 44.695 45.100 -0.067 0.000 0.855 579 G HN 0.613 nan 8.290 nan 0.000 0.537 580 P HA 0.035 nan 4.420 nan 0.000 0.228 580 P C 0.810 177.806 177.300 -0.507 0.000 1.151 580 P CA 1.282 64.147 63.100 -0.391 0.000 0.770 580 P CB -0.005 31.383 31.700 -0.520 0.000 0.786 581 H N -1.912 117.113 119.070 -0.075 0.000 2.486 581 H HA 0.182 4.738 4.556 0.000 0.000 0.284 581 H C 0.606 175.897 175.328 -0.063 0.000 1.103 581 H CA -0.472 55.523 56.048 -0.089 0.000 1.089 581 H CB 0.002 29.684 29.762 -0.133 0.000 1.603 581 H HN 0.189 nan 8.280 nan 0.000 0.557 582 K N 0.633 121.039 120.400 0.010 0.000 2.527 582 K HA 0.074 4.394 4.320 0.000 0.000 0.278 582 K C 1.069 177.684 176.600 0.026 0.000 0.981 582 K CA 1.315 57.612 56.287 0.017 0.000 1.009 582 K CB 0.250 32.750 32.500 -0.000 0.000 0.895 582 K HN 0.475 nan 8.250 nan 0.000 0.493 583 G N 2.867 111.693 108.800 0.043 0.000 2.217 583 G HA2 -0.320 3.641 3.960 0.000 0.000 0.246 583 G HA3 -0.320 3.641 3.960 0.000 0.000 0.246 583 G C 0.133 175.047 174.900 0.023 0.000 0.990 583 G CA 0.371 45.501 45.100 0.049 0.000 0.627 583 G HN 0.728 nan 8.290 nan 0.000 0.522 584 R N 0.783 121.299 120.500 0.026 0.000 2.442 584 R HA 0.519 4.859 4.340 0.000 0.000 0.291 584 R C 0.237 176.576 176.300 0.064 0.000 1.069 584 R CA -0.391 55.722 56.100 0.022 0.000 1.022 584 R CB 0.069 30.371 30.300 0.003 0.000 0.976 584 R HN 0.291 nan 8.270 nan 0.000 0.443 585 I N 6.177 126.784 120.570 0.061 0.000 2.342 585 I HA 0.176 4.347 4.170 0.000 0.000 0.291 585 I C -0.194 176.068 176.117 0.242 0.000 1.010 585 I CA -0.381 61.002 61.300 0.138 0.000 1.308 585 I CB 1.102 39.143 38.000 0.069 0.000 1.400 585 I HN 0.423 nan 8.210 nan 0.000 0.488 586 L N 7.138 128.512 121.223 0.253 0.000 2.333 586 L HA 0.550 4.891 4.340 0.000 0.000 0.280 586 L C -0.675 176.361 176.870 0.277 0.000 1.004 586 L CA -0.732 54.276 54.840 0.279 0.000 0.820 586 L CB 1.814 44.008 42.059 0.226 0.000 1.247 586 L HN 0.411 nan 8.230 nan 0.000 0.416 587 I N 4.127 124.861 120.570 0.275 0.000 2.410 587 I HA 0.378 4.548 4.170 0.000 0.000 0.286 587 I C -2.369 173.857 176.117 0.183 0.000 1.009 587 I CA -2.467 58.949 61.300 0.194 0.000 1.111 587 I CB 1.678 39.726 38.000 0.080 0.000 1.262 587 I HN 0.188 nan 8.210 nan 0.000 0.443 588 P HA 0.214 nan 4.420 nan 0.000 0.271 588 P C -0.448 176.953 177.300 0.169 0.000 1.216 588 P CA 0.094 63.305 63.100 0.184 0.000 0.771 588 P CB 0.939 32.745 31.700 0.177 0.000 0.864 589 V N 1.433 121.455 119.914 0.180 0.000 3.202 589 V HA 0.857 4.977 4.120 0.000 0.000 0.306 589 V C -1.536 174.731 176.094 0.289 0.000 1.283 589 V CA -1.166 61.237 62.300 0.172 0.000 1.065 589 V CB 1.952 33.788 31.823 0.022 0.000 1.079 589 V HN 0.620 nan 8.190 nan 0.000 0.448 590 Y N -0.961 119.359 120.300 0.034 0.000 2.609 590 Y HA 0.922 5.472 4.550 0.000 0.000 0.336 590 Y C -0.470 175.479 175.900 0.081 0.000 1.129 590 Y CA -0.162 57.993 58.100 0.092 0.000 1.040 590 Y CB 1.532 40.085 38.460 0.154 0.000 1.310 590 Y HN 1.121 nan 8.280 nan 0.000 0.460 591 T N -0.999 113.675 114.554 0.200 0.000 2.888 591 T HA 0.849 5.200 4.350 0.000 0.000 0.288 591 T C -0.516 174.394 174.700 0.351 0.000 1.063 591 T CA -0.305 61.873 62.100 0.130 0.000 1.010 591 T CB 1.631 70.555 68.868 0.093 0.000 1.214 591 T HN 1.258 nan 8.240 nan 0.000 0.533 592 T N -0.726 114.053 114.554 0.375 0.000 2.906 592 T HA 0.719 5.070 4.350 0.000 0.000 0.295 592 T C -0.750 174.223 174.700 0.456 0.000 1.075 592 T CA -0.947 61.403 62.100 0.417 0.000 1.005 592 T CB 1.546 70.700 68.868 0.476 0.000 1.136 592 T HN 0.998 nan 8.240 nan 0.000 0.498 593 N N 0.528 119.484 118.700 0.426 0.000 2.592 593 N HA 0.412 5.152 4.740 0.000 0.000 0.292 593 N C 0.279 175.952 175.510 0.272 0.000 1.260 593 N CA -1.125 52.178 53.050 0.422 0.000 0.910 593 N CB 0.352 39.026 38.487 0.312 0.000 1.257 593 N HN 0.508 nan 8.380 nan 0.000 0.569 594 N N -0.893 117.933 118.700 0.209 0.000 2.467 594 N HA 0.021 4.761 4.740 0.000 0.000 0.184 594 N C 0.970 176.537 175.510 0.096 0.000 1.106 594 N CA 0.252 53.372 53.050 0.116 0.000 0.892 594 N CB 0.087 38.631 38.487 0.096 0.000 0.969 594 N HN 0.309 nan 8.380 nan 0.000 0.454 595 V N 0.703 120.679 119.914 0.104 0.000 2.273 595 V HA -0.100 4.020 4.120 0.000 0.000 0.242 595 V C 1.976 178.124 176.094 0.089 0.000 1.035 595 V CA 2.079 64.424 62.300 0.075 0.000 1.013 595 V CB -0.248 31.606 31.823 0.051 0.000 0.652 595 V HN 0.396 nan 8.190 nan 0.000 0.452 596 S N -3.028 112.744 115.700 0.119 0.000 2.733 596 S HA 0.177 4.647 4.470 0.000 0.000 0.247 596 S C 0.813 175.528 174.600 0.192 0.000 1.043 596 S CA 0.447 58.722 58.200 0.125 0.000 1.066 596 S CB 0.139 63.391 63.200 0.087 0.000 1.045 596 S HN 0.662 nan 8.310 nan 0.000 0.586 597 H N 2.415 121.541 119.070 0.093 0.000 1.452 597 H HA -0.286 4.270 4.556 0.000 0.000 0.090 597 H C 0.737 176.119 175.328 0.091 0.000 0.964 597 H CA 2.120 58.226 56.048 0.097 0.000 1.901 597 H CB -1.329 28.474 29.762 0.068 0.000 2.257 597 H HN 0.308 nan 8.280 nan 0.000 0.961 598 L N 0.712 121.693 121.223 -0.403 0.000 2.551 598 L HA -0.028 4.313 4.340 0.000 0.000 0.228 598 L C 2.073 178.913 176.870 -0.051 0.000 1.153 598 L CA 0.855 55.513 54.840 -0.303 0.000 0.851 598 L CB -0.396 41.400 42.059 -0.438 0.000 0.959 598 L HN 0.418 nan 8.230 nan 0.000 0.451 599 N N 0.227 118.934 118.700 0.012 0.000 2.333 599 N HA -0.012 4.729 4.740 0.000 0.000 0.178 599 N C 1.358 176.886 175.510 0.030 0.000 1.018 599 N CA 1.352 54.422 53.050 0.032 0.000 0.882 599 N CB 0.372 38.888 38.487 0.049 0.000 0.984 599 N HN 0.325 nan 8.380 nan 0.000 0.434 600 G N -0.340 108.488 108.800 0.048 0.000 5.542 600 G HA2 0.082 4.042 3.960 0.000 0.000 0.207 600 G HA3 0.082 4.042 3.960 0.000 0.000 0.207 600 G C 0.233 175.173 174.900 0.066 0.000 0.764 600 G CA 0.158 45.284 45.100 0.044 0.000 0.692 600 G HN 0.262 nan 8.290 nan 0.000 0.330 601 S N -1.059 114.700 115.700 0.099 0.000 2.733 601 S HA 0.221 4.691 4.470 0.000 0.000 0.247 601 S C 0.442 175.150 174.600 0.179 0.000 1.043 601 S CA -0.246 58.035 58.200 0.134 0.000 1.066 601 S CB 0.077 63.383 63.200 0.175 0.000 1.045 601 S HN 0.272 nan 8.310 nan 0.000 0.586 602 Q N 2.085 121.992 119.800 0.178 0.000 2.247 602 Q HA 0.334 4.674 4.340 0.000 0.000 0.288 602 Q C -0.844 175.286 176.000 0.215 0.000 1.079 602 Q CA 0.367 56.328 55.803 0.264 0.000 0.932 602 Q CB 0.415 29.308 28.738 0.258 0.000 1.133 602 Q HN 0.313 nan 8.270 nan 0.000 0.377 603 S N 1.757 117.617 115.700 0.266 0.000 2.672 603 S HA 0.311 4.782 4.470 0.000 0.000 0.291 603 S C -0.669 174.040 174.600 0.182 0.000 1.145 603 S CA -0.787 57.515 58.200 0.169 0.000 1.013 603 S CB 1.776 65.065 63.200 0.148 0.000 1.017 603 S HN 0.481 nan 8.310 nan 0.000 0.487 604 S N 3.254 118.992 115.700 0.064 0.000 2.592 604 S HA 0.713 5.183 4.470 0.000 0.000 0.271 604 S C 0.394 174.973 174.600 -0.034 0.000 1.326 604 S CA -0.811 57.406 58.200 0.028 0.000 1.024 604 S CB 0.543 63.682 63.200 -0.100 0.000 0.921 604 S HN 0.869 nan 8.310 nan 0.000 0.527 605 R N -0.489 120.038 120.500 0.044 0.000 2.855 605 R HA 0.628 4.968 4.340 0.000 0.000 0.274 605 R C -1.971 174.466 176.300 0.229 0.000 0.997 605 R CA -0.907 55.276 56.100 0.138 0.000 0.856 605 R CB 0.234 30.659 30.300 0.209 0.000 1.378 605 R HN 0.541 nan 8.270 nan 0.000 0.462 606 I N -0.999 119.780 120.570 0.349 0.000 3.042 606 I HA 0.698 4.868 4.170 0.000 0.000 0.310 606 I C -0.346 175.954 176.117 0.304 0.000 1.117 606 I CA -1.294 60.194 61.300 0.315 0.000 1.003 606 I CB 1.954 40.178 38.000 0.374 0.000 1.228 606 I HN 0.733 nan 8.210 nan 0.000 0.443 607 I N 1.123 121.852 120.570 0.265 0.000 2.797 607 I HA 0.856 5.026 4.170 0.000 0.000 0.307 607 I C -1.281 175.082 176.117 0.410 0.000 1.033 607 I CA -0.855 60.592 61.300 0.244 0.000 1.071 607 I CB 2.085 40.141 38.000 0.092 0.000 1.255 607 I HN 0.884 nan 8.210 nan 0.000 0.445 608 Y N 1.422 121.906 120.300 0.307 0.000 2.655 608 Y HA 0.797 5.347 4.550 0.000 0.000 0.336 608 Y C -1.036 174.879 175.900 0.026 0.000 1.154 608 Y CA -1.202 57.035 58.100 0.229 0.000 1.055 608 Y CB 1.397 39.912 38.460 0.093 0.000 1.295 608 Y HN 0.682 nan 8.280 nan 0.000 0.465 609 S N 0.333 115.963 115.700 -0.117 0.000 2.619 609 S HA 0.383 4.853 4.470 0.000 0.000 0.280 609 S C -1.158 173.302 174.600 -0.233 0.000 1.150 609 S CA -0.610 57.263 58.200 -0.545 0.000 0.978 609 S CB 1.070 63.368 63.200 -1.503 0.000 1.041 609 S HN 0.770 nan 8.310 nan 0.000 0.485 610 D N 2.260 122.574 120.400 -0.144 0.000 2.398 610 D HA 0.127 4.767 4.640 0.000 0.000 0.210 610 D C -0.099 176.018 176.300 -0.306 0.000 1.094 610 D CA 0.289 54.205 54.000 -0.140 0.000 0.839 610 D CB 0.479 41.270 40.800 -0.014 0.000 0.963 610 D HN 0.738 nan 8.370 nan 0.000 0.506 611 D N -0.653 119.533 120.400 -0.357 0.000 2.892 611 D HA 0.006 4.646 4.640 0.000 0.000 0.291 611 D C -0.059 176.055 176.300 -0.308 0.000 1.341 611 D CA -0.651 53.138 54.000 -0.353 0.000 0.844 611 D CB -0.578 40.109 40.800 -0.188 0.000 1.093 611 D HN -0.030 nan 8.370 nan 0.000 0.480 612 H N -0.017 118.959 119.070 -0.156 0.000 2.791 612 H HA -0.131 4.425 4.556 0.000 0.000 0.302 612 H C 1.457 176.708 175.328 -0.127 0.000 1.198 612 H CA 1.003 57.000 56.048 -0.084 0.000 1.145 612 H CB -1.675 28.090 29.762 0.004 0.000 1.385 612 H HN 0.692 nan 8.280 nan 0.000 0.409 613 G N -0.440 108.069 108.800 -0.485 0.000 2.176 613 G HA2 -0.404 3.556 3.960 0.000 0.000 0.253 613 G HA3 -0.404 3.556 3.960 0.000 0.000 0.253 613 G C 1.127 175.788 174.900 -0.399 0.000 0.979 613 G CA 1.018 45.670 45.100 -0.747 0.000 0.641 613 G HN 0.591 nan 8.290 nan 0.000 0.530 614 K N 0.678 120.899 120.400 -0.298 0.000 2.002 614 K HA 0.031 4.351 4.320 0.000 0.000 0.209 614 K C 1.352 177.814 176.600 -0.230 0.000 1.048 614 K CA 1.952 58.140 56.287 -0.164 0.000 0.930 614 K CB -0.156 32.273 32.500 -0.118 0.000 0.714 614 K HN 0.744 nan 8.250 nan 0.000 0.438 615 T N -2.589 111.697 114.554 -0.446 0.000 2.906 615 T HA 0.493 4.843 4.350 0.000 0.000 0.295 615 T C -1.274 172.905 174.700 -0.868 0.000 1.061 615 T CA -1.013 60.814 62.100 -0.454 0.000 1.000 615 T CB 1.093 69.765 68.868 -0.327 0.000 1.103 615 T HN 0.218 nan 8.240 nan 0.000 0.486 616 W N 0.380 121.343 121.300 -0.562 0.000 2.781 616 W HA 0.675 5.335 4.660 0.000 0.000 0.345 616 W C 0.018 175.967 176.519 -0.949 0.000 1.085 616 W CA -0.617 56.360 57.345 -0.613 0.000 1.198 616 W CB 1.461 30.698 29.460 -0.372 0.000 1.423 616 W HN 0.700 nan 8.180 nan 0.000 0.532 617 H N 0.568 119.431 119.070 -0.345 0.000 2.851 617 H HA 0.641 5.197 4.556 0.000 0.000 0.372 617 H C -0.774 174.315 175.328 -0.399 0.000 1.158 617 H CA -1.057 54.702 56.048 -0.481 0.000 1.159 617 H CB 1.747 31.016 29.762 -0.821 0.000 1.757 617 H HN 0.535 nan 8.280 nan 0.000 0.546 618 A N 1.651 124.459 122.820 -0.021 0.000 2.309 618 A HA 0.598 4.918 4.320 0.000 0.000 0.298 618 A C 0.799 178.527 177.584 0.241 0.000 1.165 618 A CA 0.124 52.214 52.037 0.088 0.000 0.821 618 A CB 0.509 19.541 19.000 0.053 0.000 1.102 618 A HN 0.749 nan 8.150 nan 0.000 0.500 619 G N 0.692 109.695 108.800 0.337 0.000 2.543 619 G HA2 0.509 4.469 3.960 0.000 0.000 0.290 619 G HA3 0.509 4.469 3.960 0.000 0.000 0.290 619 G C -0.254 174.816 174.900 0.284 0.000 1.310 619 G CA -0.554 44.753 45.100 0.345 0.000 1.025 619 G HN 0.785 nan 8.290 nan 0.000 0.502 620 E N -0.771 119.594 120.200 0.274 0.000 2.318 620 E HA 0.484 4.834 4.350 0.000 0.000 0.265 620 E C 0.277 177.099 176.600 0.370 0.000 1.069 620 E CA -0.547 56.018 56.400 0.274 0.000 0.893 620 E CB 1.522 31.347 29.700 0.209 0.000 1.076 620 E HN 0.556 nan 8.360 nan 0.000 0.414 621 A N 1.607 124.565 122.820 0.230 0.000 2.371 621 A HA 0.108 4.428 4.320 0.000 0.000 0.257 621 A C 1.198 178.831 177.584 0.083 0.000 1.089 621 A CA -0.489 51.629 52.037 0.135 0.000 0.794 621 A CB 0.559 19.602 19.000 0.071 0.000 1.029 621 A HN 0.525 nan 8.150 nan 0.000 0.488 622 V N 2.343 122.140 119.914 -0.196 0.000 2.392 622 V HA -0.279 3.842 4.120 0.000 0.000 0.249 622 V C 1.943 178.001 176.094 -0.059 0.000 1.059 622 V CA 2.570 64.704 62.300 -0.278 0.000 1.051 622 V CB -1.111 30.405 31.823 -0.511 0.000 0.658 622 V HN 0.938 nan 8.190 nan 0.000 0.455 623 N N -0.465 118.195 118.700 -0.067 0.000 2.550 623 N HA -0.055 4.686 4.740 0.000 0.000 0.186 623 N C -0.109 175.353 175.510 -0.080 0.000 1.110 623 N CA -0.014 53.005 53.050 -0.052 0.000 0.912 623 N CB 0.026 38.487 38.487 -0.043 0.000 0.968 623 N HN 0.457 nan 8.380 nan 0.000 0.448 624 D N 1.292 121.629 120.400 -0.107 0.000 2.358 624 D HA 0.008 4.648 4.640 0.000 0.000 0.258 624 D C 0.439 176.724 176.300 -0.025 0.000 1.223 624 D CA 0.489 54.370 54.000 -0.197 0.000 0.886 624 D CB 0.498 41.165 40.800 -0.223 0.000 1.120 624 D HN 0.075 nan 8.370 nan 0.000 0.482 625 N N 1.389 120.096 118.700 0.011 0.000 2.776 625 N HA -0.234 4.507 4.740 0.000 0.000 0.250 625 N C -0.411 175.118 175.510 0.033 0.000 1.112 625 N CA 0.393 53.471 53.050 0.048 0.000 0.733 625 N CB -0.648 37.877 38.487 0.063 0.000 1.097 625 N HN 0.486 nan 8.380 nan 0.000 0.558 626 R N 0.638 121.149 120.500 0.017 0.000 2.490 626 R HA 0.160 4.500 4.340 0.000 0.000 0.280 626 R C -0.449 175.858 176.300 0.012 0.000 1.077 626 R CA -0.174 55.935 56.100 0.015 0.000 1.065 626 R CB 0.501 30.802 30.300 0.001 0.000 1.003 626 R HN 0.147 nan 8.270 nan 0.000 0.470 627 Q N 3.201 123.008 119.800 0.011 0.000 2.314 627 Q HA 0.236 4.576 4.340 0.000 0.000 0.257 627 Q C -1.124 174.877 176.000 0.001 0.000 0.975 627 Q CA -0.241 55.566 55.803 0.007 0.000 0.933 627 Q CB 1.804 30.547 28.738 0.008 0.000 1.195 627 Q HN 0.369 nan 8.270 nan 0.000 0.426 628 V N 4.051 123.965 119.914 0.000 0.000 2.380 628 V HA 0.151 4.272 4.120 0.000 0.000 0.286 628 V C -0.270 175.822 176.094 -0.004 0.000 1.015 628 V CA -0.701 61.596 62.300 -0.004 0.000 0.834 628 V CB 1.505 33.325 31.823 -0.005 0.000 1.009 628 V HN 0.823 nan 8.190 nan 0.000 0.428 629 D N 4.180 124.577 120.400 -0.006 0.000 2.746 629 D HA -0.181 4.459 4.640 0.000 0.000 0.236 629 D C 1.271 177.570 176.300 -0.003 0.000 1.129 629 D CA 1.464 55.460 54.000 -0.005 0.000 0.691 629 D CB -1.032 39.764 40.800 -0.006 0.000 1.077 629 D HN 1.423 nan 8.370 nan 0.000 0.432 630 G N -0.189 108.610 108.800 -0.002 0.000 2.179 630 G HA2 -0.351 3.610 3.960 0.000 0.000 0.260 630 G HA3 -0.351 3.610 3.960 0.000 0.000 0.260 630 G C 0.152 175.053 174.900 0.001 0.000 0.977 630 G CA 0.863 45.963 45.100 -0.000 0.000 0.641 630 G HN 0.599 nan 8.290 nan 0.000 0.533 631 Q N -0.374 119.427 119.800 0.002 0.000 2.389 631 Q HA 0.529 4.870 4.340 0.000 0.000 0.277 631 Q C -0.543 175.461 176.000 0.007 0.000 1.082 631 Q CA -1.039 54.766 55.803 0.004 0.000 0.810 631 Q CB 1.165 29.905 28.738 0.002 0.000 1.374 631 Q HN 0.077 nan 8.270 nan 0.000 0.422 632 K N 2.990 123.397 120.400 0.011 0.000 2.270 632 K HA 0.369 4.689 4.320 0.000 0.000 0.276 632 K C 0.059 176.672 176.600 0.021 0.000 1.023 632 K CA -0.001 56.297 56.287 0.018 0.000 0.955 632 K CB 0.468 32.982 32.500 0.024 0.000 0.975 632 K HN 0.605 nan 8.250 nan 0.000 0.471 633 I N -1.875 118.710 120.570 0.025 0.000 3.170 633 I HA 0.480 4.650 4.170 0.000 0.000 0.312 633 I C -0.323 175.829 176.117 0.059 0.000 1.085 633 I CA -0.884 60.434 61.300 0.030 0.000 0.999 633 I CB 2.359 40.367 38.000 0.012 0.000 1.233 633 I HN 0.432 nan 8.210 nan 0.000 0.467 634 H N 1.165 120.198 119.070 -0.063 0.000 2.894 634 H HA 0.270 4.827 4.556 0.000 0.000 0.367 634 H C 0.240 175.488 175.328 -0.133 0.000 1.144 634 H CA 0.096 56.086 56.048 -0.096 0.000 1.180 634 H CB 2.584 32.257 29.762 -0.149 0.000 1.758 634 H HN 0.873 nan 8.280 nan 0.000 0.541 635 S N 1.984 117.495 115.700 -0.315 0.000 2.419 635 S HA -0.203 4.267 4.470 0.000 0.000 0.235 635 S C 1.774 176.247 174.600 -0.212 0.000 1.019 635 S CA 1.500 59.628 58.200 -0.121 0.000 0.982 635 S CB -0.305 62.903 63.200 0.014 0.000 0.789 635 S HN 0.568 nan 8.310 nan 0.000 0.490 636 S N 1.184 116.607 115.700 -0.463 0.000 2.496 636 S HA 0.015 4.485 4.470 0.000 0.000 0.224 636 S C 1.598 175.985 174.600 -0.355 0.000 0.996 636 S CA 0.773 58.352 58.200 -1.036 0.000 0.927 636 S CB -0.603 61.499 63.200 -1.830 0.000 0.774 636 S HN 0.797 nan 8.310 nan 0.000 0.524 637 T N -0.580 113.876 114.554 -0.165 0.000 3.016 637 T HA 0.389 4.739 4.350 0.000 0.000 0.271 637 T C 0.636 175.323 174.700 -0.021 0.000 0.968 637 T CA -0.385 61.665 62.100 -0.084 0.000 0.891 637 T CB -0.425 68.383 68.868 -0.101 0.000 1.149 637 T HN 0.552 nan 8.240 nan 0.000 0.524 638 M N 1.550 121.148 119.600 -0.004 0.000 2.250 638 M HA 0.445 4.925 4.480 0.000 0.000 0.325 638 M C -0.326 175.992 176.300 0.030 0.000 1.084 638 M CA 0.237 55.547 55.300 0.015 0.000 1.161 638 M CB 0.187 32.798 32.600 0.018 0.000 1.481 638 M HN 0.019 nan 8.290 nan 0.000 0.449 639 N N 2.537 121.252 118.700 0.025 0.000 2.716 639 N HA 0.284 5.024 4.740 0.000 0.000 0.245 639 N C -2.209 173.312 175.510 0.018 0.000 1.495 639 N CA -0.268 52.800 53.050 0.029 0.000 0.759 639 N CB 0.562 39.065 38.487 0.026 0.000 1.261 639 N HN 0.857 nan 8.380 nan 0.000 0.515 640 N N 1.570 120.280 118.700 0.017 0.000 2.594 640 N HA 0.180 4.920 4.740 0.000 0.000 0.280 640 N C 0.731 176.241 175.510 -0.000 0.000 1.156 640 N CA -0.200 52.853 53.050 0.005 0.000 0.831 640 N CB 1.534 40.022 38.487 0.001 0.000 1.379 640 N HN 0.419 nan 8.380 nan 0.000 0.536 641 R N 2.676 123.170 120.500 -0.010 0.000 2.094 641 R HA -0.108 4.232 4.340 0.000 0.000 0.239 641 R C 1.655 177.929 176.300 -0.044 0.000 1.137 641 R CA 1.731 57.814 56.100 -0.028 0.000 0.943 641 R CB 0.079 30.354 30.300 -0.041 0.000 0.850 641 R HN 0.481 nan 8.270 nan 0.000 0.433 642 R N -0.459 120.015 120.500 -0.043 0.000 2.189 642 R HA -0.011 4.329 4.340 0.000 0.000 0.223 642 R C 1.681 177.960 176.300 -0.035 0.000 1.092 642 R CA 1.151 57.222 56.100 -0.048 0.000 0.989 642 R CB -0.035 30.240 30.300 -0.042 0.000 0.876 642 R HN 0.365 nan 8.270 nan 0.000 0.457 643 A N -0.012 122.795 122.820 -0.022 0.000 2.238 643 A HA 0.052 4.372 4.320 0.000 0.000 0.208 643 A C 0.334 177.913 177.584 -0.008 0.000 1.177 643 A CA -0.009 52.019 52.037 -0.016 0.000 0.804 643 A CB 0.002 18.996 19.000 -0.010 0.000 0.823 643 A HN 0.346 nan 8.150 nan 0.000 0.482 644 Q N 0.462 120.261 119.800 -0.002 0.000 2.417 644 Q HA 0.334 4.674 4.340 0.000 0.000 0.241 644 Q C -1.013 174.996 176.000 0.016 0.000 1.008 644 Q CA 0.129 55.945 55.803 0.022 0.000 0.901 644 Q CB 0.383 29.143 28.738 0.037 0.000 1.259 644 Q HN 0.728 nan 8.270 nan 0.000 0.489 645 N N -1.013 117.701 118.700 0.024 0.000 2.455 645 N HA 0.277 5.017 4.740 0.000 0.000 0.285 645 N C -0.713 174.783 175.510 -0.024 0.000 1.080 645 N CA -0.631 52.414 53.050 -0.008 0.000 0.932 645 N CB 1.680 40.134 38.487 -0.056 0.000 1.610 645 N HN 0.591 nan 8.380 nan 0.000 0.493 646 T N -1.040 113.442 114.554 -0.119 0.000 2.090 646 T HA 0.348 4.698 4.350 0.000 0.000 0.179 646 T C 0.064 174.378 174.700 -0.643 0.000 0.687 646 T CA -0.243 61.587 62.100 -0.450 0.000 1.523 646 T CB -0.612 67.944 68.868 -0.520 0.000 3.135 646 T HN 0.423 nan 8.240 nan 0.000 0.403 647 E N 1.755 121.503 120.200 -0.753 0.000 2.415 647 E HA 0.457 4.808 4.350 0.000 0.000 0.262 647 E C -0.240 176.259 176.600 -0.168 0.000 1.038 647 E CA -0.184 55.978 56.400 -0.396 0.000 0.921 647 E CB 0.601 30.122 29.700 -0.298 0.000 0.950 647 E HN 0.729 nan 8.360 nan 0.000 0.438 648 S N 0.904 116.584 115.700 -0.033 0.000 2.625 648 S HA 0.554 5.025 4.470 0.000 0.000 0.271 648 S C -0.792 173.874 174.600 0.109 0.000 1.161 648 S CA -0.986 57.236 58.200 0.036 0.000 0.820 648 S CB 2.153 65.369 63.200 0.027 0.000 1.137 648 S HN 0.387 nan 8.310 nan 0.000 0.470 649 T N 0.312 114.977 114.554 0.186 0.000 2.861 649 T HA 0.664 5.015 4.350 0.000 0.000 0.287 649 T C -1.444 173.459 174.700 0.339 0.000 1.003 649 T CA -0.506 61.730 62.100 0.226 0.000 0.977 649 T CB 1.411 70.384 68.868 0.175 0.000 0.996 649 T HN 1.066 nan 8.240 nan 0.000 0.448 650 V N 5.781 125.878 119.914 0.305 0.000 2.513 650 V HA 0.890 5.010 4.120 0.000 0.000 0.299 650 V C -1.147 175.147 176.094 0.333 0.000 1.035 650 V CA -0.225 62.277 62.300 0.335 0.000 0.889 650 V CB 1.653 33.651 31.823 0.291 0.000 0.988 650 V HN 0.816 nan 8.190 nan 0.000 0.440 651 V N 6.025 126.159 119.914 0.367 0.000 2.888 651 V HA 0.492 4.612 4.120 0.000 0.000 0.309 651 V C -0.609 175.638 176.094 0.256 0.000 1.114 651 V CA -0.653 61.845 62.300 0.330 0.000 0.940 651 V CB 1.829 33.911 31.823 0.431 0.000 1.021 651 V HN 0.949 nan 8.190 nan 0.000 0.426 652 Q N 3.161 123.066 119.800 0.175 0.000 2.282 652 Q HA 0.712 5.052 4.340 0.000 0.000 0.260 652 Q C -1.417 174.629 176.000 0.076 0.000 0.964 652 Q CA -0.594 55.270 55.803 0.101 0.000 0.880 652 Q CB 1.746 30.508 28.738 0.041 0.000 1.286 652 Q HN 0.716 nan 8.270 nan 0.000 0.445 653 L N 2.605 123.886 121.223 0.097 0.000 2.431 653 L HA 0.292 4.633 4.340 0.000 0.000 0.260 653 L C 1.036 177.935 176.870 0.048 0.000 1.098 653 L CA -0.920 53.997 54.840 0.129 0.000 0.800 653 L CB 0.511 42.644 42.059 0.124 0.000 1.210 653 L HN 0.734 nan 8.230 nan 0.000 0.465 654 N N 0.988 119.742 118.700 0.090 0.000 2.453 654 N HA -0.142 4.598 4.740 0.000 0.000 0.183 654 N C 1.073 176.600 175.510 0.028 0.000 1.041 654 N CA 1.009 54.089 53.050 0.051 0.000 0.900 654 N CB -0.360 38.186 38.487 0.098 0.000 0.961 654 N HN 0.651 nan 8.380 nan 0.000 0.443 655 N N -0.825 117.894 118.700 0.032 0.000 2.383 655 N HA 0.059 4.799 4.740 0.000 0.000 0.192 655 N C 1.044 176.559 175.510 0.008 0.000 1.141 655 N CA 0.555 53.615 53.050 0.017 0.000 0.851 655 N CB 0.351 38.849 38.487 0.018 0.000 0.976 655 N HN 0.055 nan 8.380 nan 0.000 0.465 656 G N 0.308 109.114 108.800 0.009 0.000 2.241 656 G HA2 -0.248 3.712 3.960 0.000 0.000 0.244 656 G HA3 -0.248 3.712 3.960 0.000 0.000 0.244 656 G C -0.472 174.433 174.900 0.008 0.000 0.998 656 G CA 0.111 45.213 45.100 0.002 0.000 0.621 656 G HN 0.441 nan 8.290 nan 0.000 0.519 657 D N 0.418 120.829 120.400 0.017 0.000 2.399 657 D HA 0.467 5.107 4.640 0.000 0.000 0.241 657 D C 0.474 176.798 176.300 0.040 0.000 1.133 657 D CA 0.150 54.161 54.000 0.018 0.000 0.890 657 D CB 1.808 42.627 40.800 0.032 0.000 1.201 657 D HN 0.193 nan 8.370 nan 0.000 0.432 658 V N 3.159 123.089 119.914 0.026 0.000 2.398 658 V HA 0.243 4.363 4.120 0.000 0.000 0.286 658 V C 0.289 176.487 176.094 0.174 0.000 1.026 658 V CA -0.707 61.643 62.300 0.083 0.000 0.868 658 V CB 1.593 33.423 31.823 0.012 0.000 0.982 658 V HN 0.273 nan 8.190 nan 0.000 0.443 659 K N 4.101 124.622 120.400 0.202 0.000 2.221 659 K HA 0.625 4.945 4.320 0.000 0.000 0.258 659 K C -1.230 175.442 176.600 0.120 0.000 0.944 659 K CA -0.782 55.570 56.287 0.109 0.000 0.823 659 K CB 2.522 35.019 32.500 -0.005 0.000 1.113 659 K HN 0.443 nan 8.250 nan 0.000 0.431 660 L N 3.974 125.187 121.223 -0.017 0.000 2.342 660 L HA 0.427 4.768 4.340 0.000 0.000 0.276 660 L C -1.434 175.322 176.870 -0.190 0.000 0.997 660 L CA -0.424 54.399 54.840 -0.029 0.000 0.838 660 L CB 0.433 42.352 42.059 -0.234 0.000 1.224 660 L HN 0.362 nan 8.230 nan 0.000 0.416 661 F N 5.587 125.592 119.950 0.091 0.000 2.404 661 F HA 0.523 5.050 4.527 0.000 0.000 0.358 661 F C 0.290 176.102 175.800 0.020 0.000 1.120 661 F CA -0.293 57.760 58.000 0.088 0.000 1.144 661 F CB 0.791 39.868 39.000 0.127 0.000 1.133 661 F HN 0.286 nan 8.300 nan 0.000 0.495 662 M N 3.770 123.431 119.600 0.102 0.000 2.294 662 M HA 0.402 4.883 4.480 0.000 0.000 0.335 662 M C 0.025 176.338 176.300 0.021 0.000 1.079 662 M CA -0.724 54.585 55.300 0.016 0.000 0.982 662 M CB 2.065 34.629 32.600 -0.060 0.000 1.651 662 M HN 0.502 nan 8.290 nan 0.000 0.437 663 R N 1.827 122.312 120.500 -0.024 0.000 2.449 663 R HA 0.516 4.857 4.340 0.000 0.000 0.296 663 R C -0.314 176.031 176.300 0.076 0.000 1.047 663 R CA 0.306 56.397 56.100 -0.015 0.000 1.018 663 R CB 0.330 30.540 30.300 -0.150 0.000 0.962 663 R HN 0.935 nan 8.270 nan 0.000 0.428 664 G N 2.443 111.339 108.800 0.159 0.000 2.870 664 G HA2 0.372 4.332 3.960 0.000 0.000 0.299 664 G HA3 0.372 4.332 3.960 0.000 0.000 0.299 664 G C -0.544 174.421 174.900 0.108 0.000 1.324 664 G CA -0.807 44.383 45.100 0.151 0.000 0.808 664 G HN 0.532 nan 8.290 nan 0.000 0.535 665 L N 1.038 122.226 121.223 -0.058 0.000 3.017 665 L HA 0.214 4.554 4.340 0.000 0.000 0.255 665 L C 2.077 178.897 176.870 -0.084 0.000 1.247 665 L CA 0.461 55.208 54.840 -0.156 0.000 1.038 665 L CB 0.707 42.600 42.059 -0.276 0.000 1.380 665 L HN 0.698 nan 8.230 nan 0.000 0.548 666 T N -4.695 109.834 114.554 -0.042 0.000 3.065 666 T HA 0.193 4.544 4.350 0.000 0.000 0.252 666 T C 1.587 176.269 174.700 -0.031 0.000 1.099 666 T CA 0.662 62.740 62.100 -0.037 0.000 1.063 666 T CB 0.625 69.474 68.868 -0.032 0.000 0.948 666 T HN 0.399 nan 8.240 nan 0.000 0.506 667 G N 1.904 110.692 108.800 -0.021 0.000 2.195 667 G HA2 -0.181 3.780 3.960 0.000 0.000 0.246 667 G HA3 -0.181 3.780 3.960 0.000 0.000 0.246 667 G C -0.320 174.563 174.900 -0.028 0.000 0.984 667 G CA 0.243 45.331 45.100 -0.019 0.000 0.633 667 G HN 0.921 nan 8.290 nan 0.000 0.525 668 D N -1.118 119.266 120.400 -0.027 0.000 2.592 668 D HA 0.613 5.253 4.640 0.000 0.000 0.263 668 D C -0.294 175.999 176.300 -0.011 0.000 1.132 668 D CA -1.174 52.802 54.000 -0.040 0.000 0.996 668 D CB 0.587 41.361 40.800 -0.044 0.000 1.442 668 D HN 0.433 nan 8.370 nan 0.000 0.486 669 L N 0.466 121.687 121.223 -0.004 0.000 2.477 669 L HA 0.198 4.538 4.340 0.000 0.000 0.272 669 L C -0.508 176.450 176.870 0.147 0.000 1.157 669 L CA 0.769 55.661 54.840 0.087 0.000 0.889 669 L CB -0.129 41.988 42.059 0.097 0.000 1.158 669 L HN 0.274 nan 8.230 nan 0.000 0.473 670 Q N 4.338 124.205 119.800 0.112 0.000 2.293 670 Q HA 0.646 4.986 4.340 0.000 0.000 0.261 670 Q C -1.302 174.733 176.000 0.058 0.000 0.960 670 Q CA -0.811 55.023 55.803 0.053 0.000 0.882 670 Q CB 2.514 31.255 28.738 0.004 0.000 1.275 670 Q HN 0.500 nan 8.270 nan 0.000 0.445 671 V N 1.125 121.045 119.914 0.011 0.000 2.623 671 V HA 0.702 4.822 4.120 0.000 0.000 0.304 671 V C -0.642 175.399 176.094 -0.088 0.000 1.054 671 V CA -0.832 61.409 62.300 -0.098 0.000 0.882 671 V CB 1.628 33.400 31.823 -0.086 0.000 1.002 671 V HN 0.877 nan 8.190 nan 0.000 0.424 672 A N 3.098 125.843 122.820 -0.124 0.000 2.294 672 A HA 0.940 5.260 4.320 0.000 0.000 0.330 672 A C -0.045 177.659 177.584 0.200 0.000 1.133 672 A CA -0.519 51.515 52.037 -0.005 0.000 0.836 672 A CB 1.375 20.251 19.000 -0.206 0.000 1.190 672 A HN 0.740 nan 8.150 nan 0.000 0.492 673 T N 1.029 115.795 114.554 0.353 0.000 2.848 673 T HA 0.546 4.896 4.350 0.000 0.000 0.285 673 T C -0.473 174.365 174.700 0.231 0.000 0.995 673 T CA -0.313 61.963 62.100 0.293 0.000 0.970 673 T CB 1.386 70.332 68.868 0.131 0.000 0.976 673 T HN 0.702 nan 8.240 nan 0.000 0.441 674 S N 1.603 117.282 115.700 -0.036 0.000 2.473 674 S HA 0.414 4.884 4.470 0.000 0.000 0.307 674 S C 0.539 175.008 174.600 -0.218 0.000 1.094 674 S CA -0.810 57.146 58.200 -0.407 0.000 1.070 674 S CB 0.563 63.136 63.200 -1.044 0.000 1.019 674 S HN 0.538 nan 8.310 nan 0.000 0.480 675 K N 2.403 122.693 120.400 -0.184 0.000 2.358 675 K HA 0.145 4.465 4.320 0.000 0.000 0.197 675 K C -0.362 176.183 176.600 -0.092 0.000 1.025 675 K CA 0.224 56.451 56.287 -0.099 0.000 1.104 675 K CB 0.251 32.715 32.500 -0.061 0.000 0.855 675 K HN 0.755 nan 8.250 nan 0.000 0.531 676 D N -0.659 119.636 120.400 -0.175 0.000 2.891 676 D HA 0.177 4.817 4.640 0.000 0.000 0.332 676 D C 0.756 176.836 176.300 -0.367 0.000 1.369 676 D CA -0.395 53.524 54.000 -0.135 0.000 0.827 676 D CB 0.219 40.929 40.800 -0.149 0.000 1.141 676 D HN 0.112 nan 8.370 nan 0.000 0.464 677 G N -0.370 108.269 108.800 -0.269 0.000 2.153 677 G HA2 -0.027 3.933 3.960 0.000 0.000 0.252 677 G HA3 -0.027 3.933 3.960 0.000 0.000 0.252 677 G C 1.144 175.759 174.900 -0.474 0.000 0.994 677 G CA 0.342 45.197 45.100 -0.408 0.000 0.698 677 G HN 1.523 nan 8.290 nan 0.000 0.521 678 G N -2.981 105.505 108.800 -0.523 0.000 2.159 678 G HA2 -0.121 3.839 3.960 0.000 0.000 0.227 678 G HA3 -0.121 3.839 3.960 0.000 0.000 0.227 678 G C 1.187 175.768 174.900 -0.532 0.000 0.986 678 G CA 1.006 45.762 45.100 -0.572 0.000 0.651 678 G HN 1.415 nan 8.290 nan 0.000 0.523 679 V N 0.939 120.533 119.914 -0.532 0.000 2.302 679 V HA 0.180 4.300 4.120 0.000 0.000 0.243 679 V C 1.884 177.800 176.094 -0.296 0.000 1.036 679 V CA 2.510 64.624 62.300 -0.310 0.000 1.020 679 V CB -0.371 31.283 31.823 -0.283 0.000 0.657 679 V HN 1.009 nan 8.190 nan 0.000 0.453 680 T N -2.988 111.302 114.554 -0.440 0.000 2.942 680 T HA 0.559 4.909 4.350 0.000 0.000 0.289 680 T C -1.442 172.888 174.700 -0.616 0.000 1.044 680 T CA -0.672 61.238 62.100 -0.317 0.000 1.023 680 T CB 1.871 70.660 68.868 -0.132 0.000 1.123 680 T HN 0.238 nan 8.240 nan 0.000 0.512 681 W N 0.620 121.920 121.300 0.000 0.000 2.702 681 W HA 0.523 5.183 4.660 0.000 0.000 0.331 681 W C 0.084 176.600 176.519 -0.004 0.000 1.049 681 W CA -0.868 56.476 57.345 -0.002 0.000 1.230 681 W CB 1.202 30.663 29.460 0.001 0.000 1.408 681 W HN 0.569 nan 8.180 nan 0.000 0.492 682 E N 1.994 122.308 120.200 0.190 0.000 2.422 682 E HA -0.064 4.287 4.350 0.000 0.000 0.260 682 E C 1.336 178.003 176.600 0.113 0.000 1.108 682 E CA 0.083 56.549 56.400 0.111 0.000 0.943 682 E CB 0.617 30.366 29.700 0.080 0.000 0.961 682 E HN 0.636 nan 8.360 nan 0.000 0.443 683 K N 0.492 120.933 120.400 0.068 0.000 2.211 683 K HA -0.118 4.202 4.320 0.000 0.000 0.203 683 K C 0.331 176.953 176.600 0.037 0.000 1.050 683 K CA 1.064 57.381 56.287 0.051 0.000 0.945 683 K CB 0.137 32.657 32.500 0.034 0.000 0.732 683 K HN 0.162 nan 8.250 nan 0.000 0.451 684 D N 1.395 121.815 120.400 0.035 0.000 2.393 684 D HA 0.163 4.803 4.640 0.000 0.000 0.232 684 D C -0.978 175.328 176.300 0.009 0.000 1.192 684 D CA -0.322 53.687 54.000 0.015 0.000 0.882 684 D CB 0.311 41.117 40.800 0.010 0.000 1.038 684 D HN 0.191 nan 8.370 nan 0.000 0.499 685 I N 3.877 124.441 120.570 -0.011 0.000 2.281 685 I HA 0.120 4.290 4.170 0.000 0.000 0.293 685 I C 0.500 176.575 176.117 -0.070 0.000 1.085 685 I CA -0.739 60.542 61.300 -0.032 0.000 1.257 685 I CB 0.579 38.556 38.000 -0.039 0.000 1.430 685 I HN 0.179 nan 8.210 nan 0.000 0.489 686 K N 6.869 127.209 120.400 -0.099 0.000 2.218 686 K HA 0.373 4.693 4.320 0.000 0.000 0.276 686 K C -0.500 175.917 176.600 -0.305 0.000 1.022 686 K CA -0.122 56.028 56.287 -0.228 0.000 0.946 686 K CB 0.738 33.058 32.500 -0.301 0.000 1.000 686 K HN 0.427 nan 8.250 nan 0.000 0.468 687 R N 3.091 123.376 120.500 -0.358 0.000 2.562 687 R HA 0.312 4.653 4.340 0.000 0.000 0.298 687 R C -1.138 174.932 176.300 -0.384 0.000 0.961 687 R CA -0.748 55.198 56.100 -0.257 0.000 0.881 687 R CB 1.192 31.416 30.300 -0.127 0.000 1.159 687 R HN 0.518 nan 8.270 nan 0.000 0.450 688 Y N 2.589 122.913 120.300 0.041 0.000 2.575 688 Y HA 0.274 4.824 4.550 0.000 0.000 0.326 688 Y C -1.751 174.098 175.900 -0.084 0.000 0.979 688 Y CA -2.523 55.600 58.100 0.039 0.000 1.286 688 Y CB 1.613 40.141 38.460 0.114 0.000 1.093 688 Y HN 0.506 nan 8.280 nan 0.000 0.501 689 P HA -0.162 nan 4.420 nan 0.000 0.223 689 P C 0.862 178.108 177.300 -0.089 0.000 1.144 689 P CA 1.361 64.445 63.100 -0.026 0.000 0.783 689 P CB 0.384 32.079 31.700 -0.009 0.000 0.771 690 Q N -1.285 118.470 119.800 -0.076 0.000 2.224 690 Q HA -0.017 4.323 4.340 0.000 0.000 0.203 690 Q C 0.404 176.098 176.000 -0.510 0.000 0.970 690 Q CA 0.821 56.501 55.803 -0.206 0.000 0.865 690 Q CB -0.311 28.434 28.738 0.012 0.000 0.922 690 Q HN 0.113 nan 8.270 nan 0.000 0.445 691 V N 1.568 121.151 119.914 -0.552 0.000 2.313 691 V HA 0.198 4.318 4.120 0.000 0.000 0.278 691 V C -0.218 175.634 176.094 -0.403 0.000 1.017 691 V CA -1.018 60.836 62.300 -0.744 0.000 0.823 691 V CB 1.220 32.371 31.823 -1.120 0.000 1.010 691 V HN 0.072 nan 8.190 nan 0.000 0.443 692 K N 3.136 123.354 120.400 -0.304 0.000 2.295 692 K HA 0.255 4.575 4.320 0.000 0.000 0.270 692 K C -0.656 175.881 176.600 -0.106 0.000 1.011 692 K CA -0.173 56.020 56.287 -0.156 0.000 0.953 692 K CB 0.696 33.129 32.500 -0.111 0.000 0.956 692 K HN 0.742 nan 8.250 nan 0.000 0.477 693 D N 3.214 123.586 120.400 -0.047 0.000 2.575 693 D HA 0.071 4.711 4.640 0.000 0.000 0.250 693 D C -0.003 176.323 176.300 0.042 0.000 1.279 693 D CA -0.699 53.302 54.000 0.001 0.000 0.925 693 D CB 1.594 42.402 40.800 0.014 0.000 1.261 693 D HN 0.251 nan 8.370 nan 0.000 0.567 694 V N 2.837 122.789 119.914 0.064 0.000 3.563 694 V HA 0.297 4.418 4.120 0.000 0.000 0.299 694 V C 0.267 176.477 176.094 0.192 0.000 1.290 694 V CA -0.236 62.123 62.300 0.098 0.000 1.201 694 V CB -1.770 30.104 31.823 0.086 0.000 1.045 694 V HN 0.659 nan 8.190 nan 0.000 0.425 695 Y N -1.514 118.788 120.300 0.003 0.000 3.038 695 Y HA -0.085 4.465 4.550 0.000 0.000 0.140 695 Y C -0.591 175.316 175.900 0.012 0.000 2.014 695 Y CA 0.484 58.585 58.100 0.000 0.000 1.080 695 Y CB -1.452 37.016 38.460 0.013 0.000 1.603 695 Y HN 0.485 nan 8.280 nan 0.000 0.364 696 V N 3.728 123.562 119.914 -0.134 0.000 3.178 696 V HA 0.449 4.569 4.120 0.000 0.000 0.302 696 V C -0.350 175.545 176.094 -0.333 0.000 1.262 696 V CA -0.510 61.661 62.300 -0.215 0.000 1.030 696 V CB 1.870 33.671 31.823 -0.038 0.000 1.074 696 V HN 0.501 nan 8.190 nan 0.000 0.438 697 Q N 4.559 123.944 119.800 -0.692 0.000 2.479 697 Q HA 0.312 4.652 4.340 0.000 0.000 0.267 697 Q C -0.640 175.146 176.000 -0.357 0.000 1.071 697 Q CA 0.283 55.650 55.803 -0.725 0.000 0.935 697 Q CB 0.929 28.745 28.738 -1.537 0.000 1.295 697 Q HN 0.864 nan 8.270 nan 0.000 0.476 698 M N -0.061 119.423 119.600 -0.193 0.000 2.664 698 M HA 0.628 5.108 4.480 0.000 0.000 0.279 698 M C -1.329 174.968 176.300 -0.004 0.000 1.275 698 M CA -0.898 54.372 55.300 -0.050 0.000 0.829 698 M CB 2.277 34.872 32.600 -0.008 0.000 1.727 698 M HN 0.560 nan 8.290 nan 0.000 0.459 699 S N 0.590 116.312 115.700 0.036 0.000 2.569 699 S HA 1.007 5.477 4.470 0.000 0.000 0.280 699 S C -1.205 173.406 174.600 0.019 0.000 1.111 699 S CA -0.232 58.005 58.200 0.063 0.000 0.887 699 S CB 2.154 65.422 63.200 0.113 0.000 1.095 699 S HN 1.501 nan 8.310 nan 0.000 0.476 700 A N 1.750 124.577 122.820 0.011 0.000 2.549 700 A HA 0.842 5.162 4.320 0.000 0.000 0.297 700 A C -0.835 176.785 177.584 0.060 0.000 1.061 700 A CA -0.926 51.071 52.037 -0.068 0.000 0.690 700 A CB 1.043 19.781 19.000 -0.436 0.000 1.287 700 A HN 1.695 nan 8.150 nan 0.000 0.402 701 I N -0.808 119.814 120.570 0.086 0.000 2.769 701 I HA 0.542 4.712 4.170 0.000 0.000 0.298 701 I C -0.325 175.913 176.117 0.203 0.000 1.128 701 I CA -0.771 60.634 61.300 0.176 0.000 1.031 701 I CB 2.064 40.184 38.000 0.200 0.000 1.235 701 I HN 0.847 nan 8.210 nan 0.000 0.423 702 H N 2.986 122.158 119.070 0.169 0.000 2.562 702 H HA 0.547 5.103 4.556 0.000 0.000 0.352 702 H C -1.368 174.087 175.328 0.213 0.000 1.125 702 H CA 0.438 56.593 56.048 0.178 0.000 1.379 702 H CB 1.685 31.548 29.762 0.168 0.000 1.464 702 H HN 0.874 nan 8.280 nan 0.000 0.563 703 T N 5.129 119.535 114.554 -0.247 0.000 2.885 703 T HA 0.393 4.743 4.350 0.000 0.000 0.322 703 T C -1.116 173.585 174.700 0.002 0.000 1.387 703 T CA -0.880 61.260 62.100 0.067 0.000 1.041 703 T CB 0.845 69.905 68.868 0.320 0.000 1.287 703 T HN 0.503 nan 8.240 nan 0.000 0.491 704 M N 3.755 123.448 119.600 0.156 0.000 2.436 704 M HA 0.458 4.938 4.480 0.000 0.000 0.331 704 M C -0.750 175.645 176.300 0.157 0.000 1.135 704 M CA -0.675 54.719 55.300 0.156 0.000 0.987 704 M CB 1.500 34.178 32.600 0.130 0.000 1.687 704 M HN 0.739 nan 8.290 nan 0.000 0.445 705 H N 2.543 121.599 119.070 -0.023 0.000 3.096 705 H HA 0.186 4.742 4.556 0.000 0.000 0.335 705 H C -0.785 174.412 175.328 -0.219 0.000 0.990 705 H CA 0.183 56.030 56.048 -0.335 0.000 1.393 705 H CB 1.081 30.141 29.762 -1.171 0.000 1.742 705 H HN 0.868 nan 8.280 nan 0.000 0.501 706 E N 3.279 123.143 120.200 -0.559 0.000 2.389 706 E HA -0.243 4.107 4.350 0.000 0.000 0.243 706 E C 0.886 177.404 176.600 -0.136 0.000 1.154 706 E CA 0.813 56.994 56.400 -0.364 0.000 0.723 706 E CB -1.427 28.025 29.700 -0.413 0.000 1.261 706 E HN 1.122 nan 8.360 nan 0.000 0.390 707 G N -0.117 108.631 108.800 -0.087 0.000 2.184 707 G HA2 -0.374 3.586 3.960 0.000 0.000 0.264 707 G HA3 -0.374 3.586 3.960 0.000 0.000 0.264 707 G C 0.161 175.054 174.900 -0.013 0.000 0.975 707 G CA 0.933 46.012 45.100 -0.035 0.000 0.642 707 G HN 0.286 nan 8.290 nan 0.000 0.536 708 K N 0.553 120.964 120.400 0.018 0.000 2.164 708 K HA 0.513 4.834 4.320 0.000 0.000 0.258 708 K C -0.182 176.363 176.600 -0.091 0.000 0.951 708 K CA -0.658 55.600 56.287 -0.047 0.000 0.844 708 K CB 2.033 34.522 32.500 -0.019 0.000 1.099 708 K HN 0.290 nan 8.250 nan 0.000 0.435 709 E N 2.837 122.886 120.200 -0.252 0.000 2.227 709 E HA 0.184 4.534 4.350 0.000 0.000 0.282 709 E C -1.271 175.061 176.600 -0.448 0.000 1.015 709 E CA -0.305 55.966 56.400 -0.214 0.000 0.823 709 E CB 0.578 30.226 29.700 -0.087 0.000 1.081 709 E HN 0.390 nan 8.360 nan 0.000 0.396 710 Y N 2.507 122.748 120.300 -0.099 0.000 2.669 710 Y HA 0.570 5.120 4.550 0.000 0.000 0.335 710 Y C -0.180 175.647 175.900 -0.121 0.000 1.116 710 Y CA -0.961 57.106 58.100 -0.055 0.000 1.081 710 Y CB 1.651 40.186 38.460 0.124 0.000 1.297 710 Y HN 0.371 nan 8.280 nan 0.000 0.484 711 I N 2.183 122.802 120.570 0.081 0.000 2.569 711 I HA 0.404 4.574 4.170 0.000 0.000 0.290 711 I C -1.378 174.737 176.117 -0.003 0.000 1.088 711 I CA -0.530 60.780 61.300 0.017 0.000 1.047 711 I CB 2.060 40.057 38.000 -0.005 0.000 1.237 711 I HN 0.366 nan 8.210 nan 0.000 0.421 712 I N 6.833 127.401 120.570 -0.004 0.000 2.378 712 I HA 0.482 4.652 4.170 0.000 0.000 0.291 712 I C -0.840 175.286 176.117 0.016 0.000 0.992 712 I CA -0.575 60.715 61.300 -0.017 0.000 1.154 712 I CB 2.008 39.944 38.000 -0.107 0.000 1.315 712 I HN 0.346 nan 8.210 nan 0.000 0.448 713 L N 5.611 126.881 121.223 0.079 0.000 2.410 713 L HA 0.620 4.960 4.340 0.000 0.000 0.270 713 L C -0.753 176.166 176.870 0.080 0.000 0.983 713 L CA -0.053 54.811 54.840 0.040 0.000 0.822 713 L CB 2.009 44.075 42.059 0.011 0.000 1.285 713 L HN 0.597 nan 8.230 nan 0.000 0.409 714 S N 4.323 120.061 115.700 0.063 0.000 2.500 714 S HA 0.756 5.226 4.470 0.000 0.000 0.301 714 S C -1.089 173.590 174.600 0.131 0.000 1.092 714 S CA -0.434 57.795 58.200 0.049 0.000 1.030 714 S CB 1.090 64.334 63.200 0.073 0.000 1.031 714 S HN 0.954 nan 8.310 nan 0.000 0.483 715 N N 1.261 120.038 118.700 0.129 0.000 3.261 715 N HA 0.558 5.298 4.740 0.000 0.000 0.248 715 N C -1.058 174.546 175.510 0.157 0.000 1.498 715 N CA -1.284 51.901 53.050 0.225 0.000 0.884 715 N CB 0.784 39.346 38.487 0.124 0.000 1.428 715 N HN 0.663 nan 8.380 nan 0.000 0.517 716 A N -0.625 122.340 122.820 0.242 0.000 2.462 716 A HA 0.466 4.786 4.320 0.000 0.000 0.243 716 A C 1.224 178.823 177.584 0.025 0.000 1.076 716 A CA 0.409 52.537 52.037 0.152 0.000 0.773 716 A CB -0.194 18.939 19.000 0.223 0.000 1.010 716 A HN 0.816 nan 8.150 nan 0.000 0.493 717 G N 0.784 109.551 108.800 -0.056 0.000 2.838 717 G HA2 0.504 4.464 3.960 0.000 0.000 0.210 717 G HA3 0.504 4.464 3.960 0.000 0.000 0.210 717 G C 0.965 175.848 174.900 -0.029 0.000 1.153 717 G CA 0.802 45.871 45.100 -0.053 0.000 0.778 717 G HN 2.242 nan 8.290 nan 0.000 0.539 718 G N -0.292 108.509 108.800 0.001 0.000 2.685 718 G HA2 -0.104 3.857 3.960 0.000 0.000 0.387 718 G HA3 -0.104 3.857 3.960 0.000 0.000 0.387 718 G C -1.447 173.457 174.900 0.006 0.000 1.324 718 G CA -0.205 44.903 45.100 0.014 0.000 0.878 718 G HN 0.026 nan 8.290 nan 0.000 0.527 719 P HA -0.039 nan 4.420 nan 0.000 0.216 719 P C 1.279 178.600 177.300 0.036 0.000 1.153 719 P CA 1.853 64.963 63.100 0.017 0.000 0.858 719 P CB 0.046 31.754 31.700 0.014 0.000 0.789 720 K N -1.185 119.247 120.400 0.053 0.000 2.264 720 K HA 0.348 4.668 4.320 0.000 0.000 0.272 720 K C 0.403 177.064 176.600 0.102 0.000 1.003 720 K CA -0.780 55.552 56.287 0.076 0.000 1.266 720 K CB 0.322 32.868 32.500 0.077 0.000 1.820 720 K HN -0.309 nan 8.250 nan 0.000 0.818 721 R N 2.470 123.049 120.500 0.131 0.000 3.268 721 R HA 0.037 4.377 4.340 0.000 0.000 0.217 721 R C -0.422 176.002 176.300 0.207 0.000 1.568 721 R CA 0.112 56.314 56.100 0.171 0.000 1.322 721 R CB -0.416 29.995 30.300 0.185 0.000 1.280 721 R HN 0.547 nan 8.270 nan 0.000 0.667 722 E N 0.115 120.425 120.200 0.183 0.000 2.437 722 E HA 0.198 4.549 4.350 0.000 0.000 0.280 722 E C -1.050 175.594 176.600 0.075 0.000 1.044 722 E CA -1.217 55.290 56.400 0.179 0.000 0.826 722 E CB 0.863 30.640 29.700 0.129 0.000 1.358 722 E HN 0.046 nan 8.360 nan 0.000 0.459 723 N N -0.216 118.489 118.700 0.008 0.000 2.610 723 N HA -0.116 4.624 4.740 0.000 0.000 0.271 723 N C -0.221 175.060 175.510 -0.381 0.000 1.146 723 N CA 1.168 54.129 53.050 -0.147 0.000 0.711 723 N CB -1.150 37.277 38.487 -0.100 0.000 0.883 723 N HN 0.778 nan 8.380 nan 0.000 0.548 724 G N 0.868 109.183 108.800 -0.808 0.000 2.353 724 G HA2 0.318 4.278 3.960 0.000 0.000 0.239 724 G HA3 0.318 4.278 3.960 0.000 0.000 0.239 724 G C 0.510 174.823 174.900 -0.979 0.000 1.295 724 G CA -0.118 43.907 45.100 -1.792 0.000 0.884 724 G HN 0.300 nan 8.290 nan 0.000 0.537 725 M N 1.270 120.398 119.600 -0.787 0.000 2.591 725 M HA 0.396 4.876 4.480 0.000 0.000 0.306 725 M C -0.756 175.139 176.300 -0.675 0.000 1.190 725 M CA -0.944 53.970 55.300 -0.644 0.000 0.889 725 M CB 2.126 34.359 32.600 -0.611 0.000 1.728 725 M HN 0.148 nan 8.290 nan 0.000 0.458 726 V N 3.280 122.799 119.914 -0.659 0.000 2.349 726 V HA 0.332 4.452 4.120 0.000 0.000 0.284 726 V C -0.451 175.314 176.094 -0.547 0.000 1.014 726 V CA -0.739 61.249 62.300 -0.519 0.000 0.826 726 V CB 1.073 32.630 31.823 -0.443 0.000 1.009 726 V HN 0.688 nan 8.190 nan 0.000 0.431 727 H N 4.649 123.638 119.070 -0.135 0.000 2.502 727 H HA 0.541 5.098 4.556 0.000 0.000 0.327 727 H C -0.586 174.765 175.328 0.038 0.000 1.099 727 H CA -0.614 55.393 56.048 -0.069 0.000 1.323 727 H CB 2.584 32.304 29.762 -0.071 0.000 1.450 727 H HN 0.437 nan 8.280 nan 0.000 0.502 728 L N 2.344 123.608 121.223 0.068 0.000 2.333 728 L HA 0.619 4.960 4.340 0.000 0.000 0.280 728 L C -0.790 176.069 176.870 -0.018 0.000 1.004 728 L CA -0.487 54.324 54.840 -0.047 0.000 0.820 728 L CB 1.230 43.105 42.059 -0.307 0.000 1.247 728 L HN 0.747 nan 8.230 nan 0.000 0.416 729 A N 4.334 127.031 122.820 -0.206 0.000 2.386 729 A HA 0.844 5.164 4.320 0.000 0.000 0.311 729 A C -0.995 176.466 177.584 -0.205 0.000 1.068 729 A CA -0.805 50.896 52.037 -0.560 0.000 0.743 729 A CB 1.325 19.386 19.000 -1.565 0.000 1.258 729 A HN 0.690 nan 8.150 nan 0.000 0.429 730 R N 1.152 121.518 120.500 -0.224 0.000 2.349 730 R HA 0.575 4.916 4.340 0.000 0.000 0.299 730 R C -1.326 174.806 176.300 -0.280 0.000 1.027 730 R CA -0.061 55.886 56.100 -0.254 0.000 0.958 730 R CB 0.952 31.137 30.300 -0.190 0.000 1.047 730 R HN 0.449 nan 8.270 nan 0.000 0.468 731 V N 4.799 124.549 119.914 -0.273 0.000 2.398 731 V HA 0.366 4.486 4.120 0.000 0.000 0.286 731 V C 0.127 176.141 176.094 -0.133 0.000 1.026 731 V CA -0.731 61.473 62.300 -0.160 0.000 0.868 731 V CB 1.397 33.172 31.823 -0.079 0.000 0.982 731 V HN 0.776 nan 8.190 nan 0.000 0.443 732 E N 2.605 122.756 120.200 -0.083 0.000 2.330 732 E HA 0.318 4.668 4.350 0.000 0.000 0.256 732 E C 0.921 177.505 176.600 -0.027 0.000 1.146 732 E CA -0.508 55.858 56.400 -0.058 0.000 0.945 732 E CB 0.989 30.664 29.700 -0.040 0.000 1.182 732 E HN 0.672 nan 8.360 nan 0.000 0.480 733 E N 0.520 120.709 120.200 -0.019 0.000 2.204 733 E HA -0.176 4.174 4.350 0.000 0.000 0.194 733 E C 1.103 177.705 176.600 0.003 0.000 0.989 733 E CA 0.999 57.396 56.400 -0.006 0.000 0.824 733 E CB -0.018 29.678 29.700 -0.007 0.000 0.756 733 E HN 0.328 nan 8.360 nan 0.000 0.477 734 N N -0.184 118.518 118.700 0.003 0.000 2.398 734 N HA 0.009 4.749 4.740 0.000 0.000 0.188 734 N C 1.168 176.690 175.510 0.019 0.000 1.122 734 N CA 0.910 53.966 53.050 0.011 0.000 0.866 734 N CB 0.530 39.023 38.487 0.012 0.000 0.970 734 N HN 0.186 nan 8.380 nan 0.000 0.462 735 G N -0.667 108.144 108.800 0.019 0.000 2.176 735 G HA2 -0.255 3.705 3.960 0.000 0.000 0.253 735 G HA3 -0.255 3.705 3.960 0.000 0.000 0.253 735 G C -0.397 174.525 174.900 0.037 0.000 0.979 735 G CA 0.006 45.126 45.100 0.033 0.000 0.641 735 G HN 0.372 nan 8.290 nan 0.000 0.530 736 E N 0.130 120.347 120.200 0.028 0.000 2.366 736 E HA 0.540 4.890 4.350 0.000 0.000 0.266 736 E C 0.792 177.384 176.600 -0.012 0.000 1.051 736 E CA -0.145 56.282 56.400 0.045 0.000 0.884 736 E CB 0.977 30.706 29.700 0.047 0.000 1.006 736 E HN 0.460 nan 8.360 nan 0.000 0.417 737 L N 1.237 122.450 121.223 -0.017 0.000 2.325 737 L HA 0.426 4.766 4.340 0.000 0.000 0.278 737 L C 0.141 176.829 176.870 -0.304 0.000 1.023 737 L CA -0.547 54.133 54.840 -0.266 0.000 0.811 737 L CB 1.631 43.395 42.059 -0.491 0.000 1.249 737 L HN 0.276 nan 8.230 nan 0.000 0.431 738 T N 0.787 115.088 114.554 -0.421 0.000 2.930 738 T HA 0.280 4.631 4.350 0.000 0.000 0.313 738 T C -0.921 173.551 174.700 -0.381 0.000 1.019 738 T CA -0.454 61.489 62.100 -0.262 0.000 1.004 738 T CB 0.332 69.136 68.868 -0.107 0.000 0.987 738 T HN 0.284 nan 8.240 nan 0.000 0.456 739 W N 4.256 125.531 121.300 -0.041 0.000 2.446 739 W HA 0.339 5.000 4.660 0.000 0.000 0.316 739 W C 1.031 177.504 176.519 -0.077 0.000 1.376 739 W CA -0.620 56.681 57.345 -0.074 0.000 1.300 739 W CB 0.221 29.681 29.460 0.001 0.000 1.351 739 W HN 0.623 nan 8.180 nan 0.000 0.530 740 L N 2.084 123.315 121.223 0.013 0.000 2.269 740 L HA 0.232 4.572 4.340 0.000 0.000 0.200 740 L C 0.766 177.555 176.870 -0.135 0.000 1.069 740 L CA 0.693 55.515 54.840 -0.030 0.000 0.804 740 L CB -0.338 41.711 42.059 -0.017 0.000 0.987 740 L HN 0.087 nan 8.230 nan 0.000 0.468 741 K N -0.826 119.395 120.400 -0.298 0.000 2.482 741 K HA 0.490 4.811 4.320 0.000 0.000 0.257 741 K C -1.315 174.906 176.600 -0.633 0.000 0.969 741 K CA -0.498 55.558 56.287 -0.385 0.000 0.842 741 K CB 1.421 33.713 32.500 -0.347 0.000 1.359 741 K HN -0.056 nan 8.250 nan 0.000 0.441 742 H N 1.681 120.676 119.070 -0.125 0.000 3.108 742 H HA 0.341 4.897 4.556 0.000 0.000 0.301 742 H C -0.959 174.187 175.328 -0.303 0.000 1.139 742 H CA -0.743 55.210 56.048 -0.159 0.000 1.552 742 H CB 0.996 30.753 29.762 -0.009 0.000 1.663 742 H HN 0.392 nan 8.280 nan 0.000 0.517 743 N N 3.417 121.883 118.700 -0.390 0.000 2.362 743 N HA 0.282 5.022 4.740 0.000 0.000 0.298 743 N C -2.733 172.535 175.510 -0.403 0.000 1.048 743 N CA -1.675 51.095 53.050 -0.466 0.000 0.858 743 N CB 2.758 40.747 38.487 -0.831 0.000 1.218 743 N HN 0.200 nan 8.380 nan 0.000 0.488 744 P HA 0.231 nan 4.420 nan 0.000 0.271 744 P C 0.446 177.653 177.300 -0.154 0.000 1.218 744 P CA -0.067 62.883 63.100 -0.251 0.000 0.780 744 P CB 1.331 32.918 31.700 -0.188 0.000 0.901 745 I N 0.363 120.760 120.570 -0.288 0.000 4.592 745 I HA 0.200 4.371 4.170 0.000 0.000 0.329 745 I C -0.423 175.478 176.117 -0.361 0.000 1.309 745 I CA 0.377 61.504 61.300 -0.288 0.000 1.243 745 I CB 0.640 38.395 38.000 -0.408 0.000 1.241 745 I HN 0.225 nan 8.210 nan 0.000 0.434 746 Q N 2.161 121.707 119.800 -0.422 0.000 2.331 746 Q HA 0.249 4.589 4.340 0.000 0.000 0.249 746 Q C -1.185 174.674 176.000 -0.235 0.000 0.913 746 Q CA -0.717 54.884 55.803 -0.337 0.000 0.874 746 Q CB 1.190 29.684 28.738 -0.406 0.000 1.384 746 Q HN 0.244 nan 8.270 nan 0.000 0.427 747 K N 2.000 122.321 120.400 -0.132 0.000 2.149 747 K HA 0.799 5.119 4.320 0.000 0.000 0.245 747 K C 0.548 177.197 176.600 0.082 0.000 1.024 747 K CA 0.033 56.297 56.287 -0.038 0.000 0.899 747 K CB 0.368 32.861 32.500 -0.011 0.000 1.038 747 K HN 0.892 nan 8.250 nan 0.000 0.496 748 G N 0.388 109.266 108.800 0.129 0.000 2.645 748 G HA2 -0.231 3.730 3.960 0.000 0.000 0.239 748 G HA3 -0.231 3.730 3.960 0.000 0.000 0.239 748 G C -0.967 174.115 174.900 0.303 0.000 1.331 748 G CA -0.270 44.968 45.100 0.230 0.000 0.890 748 G HN 0.740 nan 8.290 nan 0.000 0.572 749 E N -0.472 119.933 120.200 0.340 0.000 2.452 749 E HA 0.415 4.766 4.350 0.000 0.000 0.261 749 E C -0.451 176.477 176.600 0.546 0.000 0.987 749 E CA 0.685 57.303 56.400 0.363 0.000 0.926 749 E CB 0.779 30.647 29.700 0.279 0.000 0.934 749 E HN 0.661 nan 8.360 nan 0.000 0.452 750 F N 0.690 120.761 119.950 0.202 0.000 2.623 750 F HA 0.470 4.997 4.527 0.000 0.000 0.323 750 F C -0.594 175.219 175.800 0.023 0.000 1.158 750 F CA -0.296 57.772 58.000 0.114 0.000 1.030 750 F CB 0.977 39.990 39.000 0.023 0.000 1.280 750 F HN 0.468 nan 8.300 nan 0.000 0.474 751 A N 3.545 126.056 122.820 -0.516 0.000 2.905 751 A HA 0.519 4.839 4.320 0.000 0.000 0.193 751 A C -1.290 176.125 177.584 -0.282 0.000 1.268 751 A CA -0.212 51.654 52.037 -0.286 0.000 1.416 751 A CB -0.310 18.471 19.000 -0.365 0.000 1.753 751 A HN 0.554 nan 8.150 nan 0.000 0.583 752 Y N 2.583 122.633 120.300 -0.417 0.000 2.578 752 Y HA 0.327 4.877 4.550 0.000 0.000 0.339 752 Y C 0.888 176.636 175.900 -0.254 0.000 1.231 752 Y CA 0.076 58.027 58.100 -0.247 0.000 1.461 752 Y CB 0.254 38.619 38.460 -0.159 0.000 1.323 752 Y HN 0.706 nan 8.280 nan 0.000 0.590 753 N N -0.466 118.253 118.700 0.031 0.000 2.825 753 N HA 0.498 5.238 4.740 0.000 0.000 0.253 753 N C -1.771 173.828 175.510 0.149 0.000 1.426 753 N CA -0.837 52.268 53.050 0.092 0.000 0.851 753 N CB 2.224 40.789 38.487 0.131 0.000 1.470 753 N HN 0.388 nan 8.380 nan 0.000 0.517 754 S N 0.587 116.409 115.700 0.202 0.000 2.720 754 S HA 0.482 4.952 4.470 0.000 0.000 0.278 754 S C -1.166 173.585 174.600 0.252 0.000 1.172 754 S CA -0.666 57.660 58.200 0.210 0.000 1.019 754 S CB 0.300 63.624 63.200 0.207 0.000 1.049 754 S HN 0.456 nan 8.310 nan 0.000 0.483 755 L N 4.080 125.444 121.223 0.235 0.000 2.343 755 L HA 0.679 5.019 4.340 0.000 0.000 0.275 755 L C -0.046 176.977 176.870 0.256 0.000 1.056 755 L CA -0.539 54.455 54.840 0.258 0.000 0.804 755 L CB 1.293 43.490 42.059 0.230 0.000 1.203 755 L HN 0.525 nan 8.230 nan 0.000 0.440 756 Q N 1.730 121.694 119.800 0.274 0.000 2.340 756 Q HA 0.265 4.605 4.340 0.000 0.000 0.276 756 Q C -1.332 174.838 176.000 0.283 0.000 1.048 756 Q CA -0.663 55.300 55.803 0.266 0.000 0.832 756 Q CB 2.761 31.655 28.738 0.260 0.000 1.373 756 Q HN 0.563 nan 8.270 nan 0.000 0.409 757 E N 2.313 122.684 120.200 0.285 0.000 2.259 757 E HA 0.230 4.581 4.350 0.000 0.000 0.281 757 E C 0.088 176.727 176.600 0.065 0.000 1.027 757 E CA 0.006 56.551 56.400 0.241 0.000 0.838 757 E CB 0.562 30.433 29.700 0.285 0.000 1.066 757 E HN 0.573 nan 8.360 nan 0.000 0.401 758 L N 3.753 124.929 121.223 -0.078 0.000 2.513 758 L HA 0.392 4.732 4.340 0.000 0.000 0.222 758 L C 1.008 177.829 176.870 -0.083 0.000 1.096 758 L CA 0.405 55.216 54.840 -0.049 0.000 0.857 758 L CB -0.184 41.848 42.059 -0.045 0.000 1.026 758 L HN 0.862 nan 8.230 nan 0.000 0.469 759 G N 0.451 109.155 108.800 -0.160 0.000 2.619 759 G HA2 -0.205 3.755 3.960 0.000 0.000 0.686 759 G HA3 -0.205 3.755 3.960 0.000 0.000 0.686 759 G C 0.066 174.885 174.900 -0.134 0.000 1.256 759 G CA -0.223 44.807 45.100 -0.116 0.000 0.826 759 G HN 0.292 nan 8.290 nan 0.000 0.619 760 N N -1.047 117.599 118.700 -0.089 0.000 2.741 760 N HA 0.129 4.870 4.740 0.000 0.000 0.250 760 N C 1.808 177.275 175.510 -0.072 0.000 1.115 760 N CA 3.190 56.200 53.050 -0.066 0.000 0.724 760 N CB -0.964 37.493 38.487 -0.051 0.000 1.090 760 N HN 2.743 nan 8.380 nan 0.000 0.558 761 G N -1.807 106.924 108.800 -0.115 0.000 2.159 761 G HA2 -0.308 3.653 3.960 0.000 0.000 0.256 761 G HA3 -0.308 3.653 3.960 0.000 0.000 0.256 761 G C -0.218 174.540 174.900 -0.236 0.000 0.977 761 G CA 0.600 45.658 45.100 -0.069 0.000 0.652 761 G HN 0.638 nan 8.290 nan 0.000 0.531 762 E N -0.970 118.979 120.200 -0.419 0.000 2.212 762 E HA 0.723 5.073 4.350 0.000 0.000 0.270 762 E C -0.858 175.232 176.600 -0.849 0.000 0.956 762 E CA -0.806 55.324 56.400 -0.450 0.000 0.825 762 E CB 1.278 30.853 29.700 -0.208 0.000 1.167 762 E HN 0.305 nan 8.360 nan 0.000 0.400 763 Y N -0.821 119.226 120.300 -0.421 0.000 2.581 763 Y HA 0.610 5.160 4.550 0.000 0.000 0.345 763 Y C 0.346 175.893 175.900 -0.588 0.000 1.036 763 Y CA -0.972 56.803 58.100 -0.543 0.000 1.042 763 Y CB 2.443 40.372 38.460 -0.885 0.000 1.289 763 Y HN 0.607 nan 8.280 nan 0.000 0.471 764 G N 1.107 109.869 108.800 -0.064 0.000 2.533 764 G HA2 0.741 4.701 3.960 0.000 0.000 0.304 764 G HA3 0.741 4.701 3.960 0.000 0.000 0.304 764 G C -2.008 173.001 174.900 0.182 0.000 1.263 764 G CA -0.843 44.272 45.100 0.025 0.000 0.964 764 G HN 0.672 nan 8.290 nan 0.000 0.479 765 I N 0.652 121.293 120.570 0.118 0.000 2.644 765 I HA 0.526 4.696 4.170 0.000 0.000 0.291 765 I C -1.877 174.459 176.117 0.365 0.000 1.180 765 I CA -1.036 60.451 61.300 0.311 0.000 1.040 765 I CB 2.137 40.364 38.000 0.378 0.000 1.255 765 I HN 0.447 nan 8.210 nan 0.000 0.422 766 L N 9.218 130.678 121.223 0.395 0.000 2.305 766 L HA 0.638 4.978 4.340 0.000 0.000 0.284 766 L C -1.388 175.620 176.870 0.230 0.000 1.013 766 L CA -0.137 54.872 54.840 0.282 0.000 0.819 766 L CB 1.189 43.397 42.059 0.249 0.000 1.227 766 L HN 0.545 nan 8.230 nan 0.000 0.417 767 Y N 1.083 121.407 120.300 0.041 0.000 2.615 767 Y HA 0.675 5.225 4.550 0.000 0.000 0.341 767 Y C -0.908 174.884 175.900 -0.180 0.000 1.089 767 Y CA -1.277 56.742 58.100 -0.134 0.000 1.049 767 Y CB 0.944 39.265 38.460 -0.233 0.000 1.296 767 Y HN 0.548 nan 8.280 nan 0.000 0.470 768 E N 1.364 121.433 120.200 -0.219 0.000 2.259 768 E HA 0.355 4.705 4.350 0.000 0.000 0.281 768 E C -1.441 175.090 176.600 -0.115 0.000 1.027 768 E CA -0.386 55.819 56.400 -0.324 0.000 0.838 768 E CB 0.991 30.195 29.700 -0.826 0.000 1.066 768 E HN 0.720 nan 8.360 nan 0.000 0.401 769 H N 0.499 119.598 119.070 0.048 0.000 3.042 769 H HA 0.374 4.931 4.556 0.000 0.000 0.346 769 H C -1.549 173.968 175.328 0.315 0.000 1.294 769 H CA -0.518 55.684 56.048 0.257 0.000 1.141 769 H CB 1.650 31.628 29.762 0.360 0.000 1.872 769 H HN 0.502 nan 8.280 nan 0.000 0.541 770 T N 1.094 115.346 114.554 -0.502 0.000 2.900 770 T HA 0.693 5.043 4.350 0.000 0.000 0.303 770 T C -1.068 173.303 174.700 -0.547 0.000 1.142 770 T CA -0.766 61.106 62.100 -0.379 0.000 1.007 770 T CB 2.542 71.320 68.868 -0.149 0.000 1.156 770 T HN 0.840 nan 8.240 nan 0.000 0.490 771 E N 0.611 120.664 120.200 -0.246 0.000 2.409 771 E HA 0.340 4.690 4.350 0.000 0.000 0.280 771 E C -0.665 175.912 176.600 -0.038 0.000 1.079 771 E CA -1.199 55.142 56.400 -0.098 0.000 0.840 771 E CB 1.128 30.835 29.700 0.012 0.000 1.309 771 E HN 0.904 nan 8.360 nan 0.000 0.447 772 K N -0.471 119.924 120.400 -0.009 0.000 3.193 772 K HA -0.290 4.030 4.320 0.000 0.000 0.294 772 K C 0.675 177.264 176.600 -0.018 0.000 1.185 772 K CA 2.004 58.289 56.287 -0.004 0.000 0.866 772 K CB -2.399 30.106 32.500 0.008 0.000 1.227 772 K HN 1.704 nan 8.250 nan 0.000 0.467 773 G N -0.285 108.495 108.800 -0.033 0.000 2.159 773 G HA2 -0.313 3.647 3.960 0.000 0.000 0.227 773 G HA3 -0.313 3.647 3.960 0.000 0.000 0.227 773 G C -0.114 174.752 174.900 -0.056 0.000 0.986 773 G CA 0.327 45.401 45.100 -0.042 0.000 0.651 773 G HN 0.546 nan 8.290 nan 0.000 0.523 774 Q N 0.405 120.168 119.800 -0.061 0.000 2.395 774 Q HA 0.269 4.609 4.340 0.000 0.000 0.271 774 Q C 0.693 176.630 176.000 -0.104 0.000 1.026 774 Q CA 0.274 56.037 55.803 -0.065 0.000 0.900 774 Q CB 0.374 29.079 28.738 -0.055 0.000 1.266 774 Q HN 0.642 nan 8.270 nan 0.000 0.430 775 N N 0.112 118.750 118.700 -0.102 0.000 2.482 775 N HA 0.239 4.979 4.740 0.000 0.000 0.260 775 N C -0.813 174.559 175.510 -0.230 0.000 1.236 775 N CA -0.520 52.438 53.050 -0.153 0.000 0.938 775 N CB 0.602 39.014 38.487 -0.125 0.000 1.128 775 N HN 0.584 nan 8.380 nan 0.000 0.448 776 A N 2.068 124.651 122.820 -0.396 0.000 2.444 776 A HA 0.242 4.562 4.320 0.000 0.000 0.273 776 A C -1.094 176.275 177.584 -0.358 0.000 1.136 776 A CA 0.432 51.996 52.037 -0.787 0.000 0.799 776 A CB -0.503 17.832 19.000 -1.108 0.000 1.081 776 A HN 0.627 nan 8.150 nan 0.000 0.509 777 Y N -0.008 120.255 120.300 -0.061 0.000 2.669 777 Y HA 0.540 5.090 4.550 0.000 0.000 0.335 777 Y C 0.582 176.490 175.900 0.014 0.000 1.116 777 Y CA -0.560 57.516 58.100 -0.040 0.000 1.081 777 Y CB 2.072 40.501 38.460 -0.052 0.000 1.297 777 Y HN 0.475 nan 8.280 nan 0.000 0.484 778 T N 2.763 117.444 114.554 0.210 0.000 2.779 778 T HA 0.465 4.815 4.350 0.000 0.000 0.280 778 T C -1.202 173.538 174.700 0.065 0.000 0.987 778 T CA -0.501 61.674 62.100 0.125 0.000 0.966 778 T CB 0.259 69.170 68.868 0.072 0.000 0.933 778 T HN 0.165 nan 8.240 nan 0.000 0.442 779 L N 3.800 125.037 121.223 0.023 0.000 2.260 779 L HA 0.463 4.803 4.340 0.000 0.000 0.289 779 L C 0.470 177.217 176.870 -0.204 0.000 1.057 779 L CA 0.257 55.053 54.840 -0.073 0.000 0.811 779 L CB 0.907 43.002 42.059 0.061 0.000 1.184 779 L HN 0.594 nan 8.230 nan 0.000 0.429 780 S N 2.820 118.272 115.700 -0.413 0.000 2.648 780 S HA 0.670 5.141 4.470 0.000 0.000 0.305 780 S C -0.940 173.421 174.600 -0.399 0.000 1.094 780 S CA -0.502 57.446 58.200 -0.420 0.000 0.983 780 S CB 1.848 64.796 63.200 -0.419 0.000 1.101 780 S HN 0.322 nan 8.310 nan 0.000 0.514 781 F N 1.452 121.238 119.950 -0.272 0.000 2.520 781 F HA 0.691 5.218 4.527 0.000 0.000 0.322 781 F C -0.226 175.644 175.800 0.117 0.000 1.103 781 F CA -0.599 57.374 58.000 -0.044 0.000 0.926 781 F CB 1.110 40.104 39.000 -0.011 0.000 1.154 781 F HN 0.463 nan 8.300 nan 0.000 0.453 782 R N 3.934 124.058 120.500 -0.627 0.000 2.808 782 R HA 0.454 4.794 4.340 0.000 0.000 0.272 782 R C -1.641 174.248 176.300 -0.684 0.000 0.995 782 R CA -1.291 54.553 56.100 -0.426 0.000 0.917 782 R CB 2.792 33.070 30.300 -0.036 0.000 1.217 782 R HN 0.670 nan 8.270 nan 0.000 0.471 783 K N 2.229 122.425 120.400 -0.340 0.000 2.375 783 K HA 0.564 4.885 4.320 0.000 0.000 0.249 783 K C -1.562 175.003 176.600 -0.059 0.000 0.942 783 K CA -0.563 55.583 56.287 -0.234 0.000 0.806 783 K CB 1.281 33.717 32.500 -0.107 0.000 1.227 783 K HN 0.444 nan 8.250 nan 0.000 0.430 784 F N 0.105 119.980 119.950 -0.124 0.000 2.686 784 F HA 0.446 4.974 4.527 0.000 0.000 0.311 784 F C -0.976 174.894 175.800 0.116 0.000 1.128 784 F CA -1.052 56.870 58.000 -0.130 0.000 0.946 784 F CB 0.794 39.524 39.000 -0.451 0.000 1.336 784 F HN 0.681 nan 8.300 nan 0.000 0.457 785 N N -0.226 118.681 118.700 0.346 0.000 2.815 785 N HA 0.177 4.917 4.740 0.000 0.000 0.315 785 N C 0.074 175.882 175.510 0.497 0.000 1.320 785 N CA -1.010 52.240 53.050 0.333 0.000 0.846 785 N CB 1.339 39.952 38.487 0.210 0.000 1.344 785 N HN 0.871 nan 8.380 nan 0.000 0.593 786 W N 0.703 122.149 121.300 0.244 0.000 2.342 786 W HA -0.158 4.502 4.660 0.000 0.000 0.297 786 W C 0.587 177.137 176.519 0.052 0.000 1.213 786 W CA 1.553 58.960 57.345 0.102 0.000 1.251 786 W CB -0.336 29.071 29.460 -0.088 0.000 1.136 786 W HN 0.610 nan 8.180 nan 0.000 0.526 787 D N -0.058 120.478 120.400 0.227 0.000 2.182 787 D HA -0.221 4.419 4.640 0.000 0.000 0.201 787 D C 1.775 178.090 176.300 0.024 0.000 0.986 787 D CA 1.519 55.588 54.000 0.115 0.000 0.847 787 D CB -0.850 40.041 40.800 0.153 0.000 0.942 787 D HN 0.213 nan 8.370 nan 0.000 0.467 788 F N 1.125 121.053 119.950 -0.037 0.000 2.259 788 F HA -0.022 4.506 4.527 0.000 0.000 0.298 788 F C 2.036 177.685 175.800 -0.251 0.000 1.088 788 F CA 0.717 58.658 58.000 -0.099 0.000 1.358 788 F CB -0.142 38.854 39.000 -0.006 0.000 1.040 788 F HN -0.148 nan 8.300 nan 0.000 0.505 789 L N -0.295 120.678 121.223 -0.417 0.000 2.044 789 L HA -0.133 4.207 4.340 0.000 0.000 0.205 789 L C 2.608 179.009 176.870 -0.782 0.000 1.075 789 L CA 1.299 55.700 54.840 -0.732 0.000 0.747 789 L CB -0.811 40.717 42.059 -0.886 0.000 0.903 789 L HN 0.291 nan 8.230 nan 0.000 0.435 790 S N -0.771 114.466 115.700 -0.770 0.000 2.289 790 S HA 0.009 4.479 4.470 0.000 0.000 0.193 790 S C 0.748 175.165 174.600 -0.304 0.000 1.002 790 S CA -0.258 57.633 58.200 -0.515 0.000 0.951 790 S CB -0.484 62.484 63.200 -0.387 0.000 0.920 790 S HN 0.102 nan 8.310 nan 0.000 0.502 791 K N 2.812 123.097 120.400 -0.192 0.000 2.586 791 K HA -0.001 4.319 4.320 0.000 0.000 0.280 791 K C -0.693 175.809 176.600 -0.164 0.000 0.972 791 K CA 0.461 56.675 56.287 -0.121 0.000 1.040 791 K CB -0.134 32.332 32.500 -0.056 0.000 0.870 791 K HN 0.464 nan 8.250 nan 0.000 0.497 792 D N 2.774 123.101 120.400 -0.121 0.000 2.424 792 D HA 0.031 4.671 4.640 0.000 0.000 0.244 792 D C 0.808 177.040 176.300 -0.114 0.000 1.134 792 D CA 0.157 54.081 54.000 -0.127 0.000 0.881 792 D CB 0.659 41.409 40.800 -0.082 0.000 1.191 792 D HN 0.238 nan 8.370 nan 0.000 0.445 793 L N 0.000 121.140 121.223 -0.139 0.000 2.949 793 L HA 0.000 4.340 4.340 0.000 0.000 0.249 793 L CA 0.000 54.783 54.840 -0.095 0.000 0.813 793 L CB 0.000 41.991 42.059 -0.114 0.000 0.961 793 L HN 0.000 nan 8.230 nan 0.000 0.502