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 1zvl_1_B DATA FIRST_RESID 297 DATA SEQUENCE GPRFLKVKNW ETDVVLTDTL HLKSTLETGC TEHICMGSIM LPSQHTRKPE DATA SEQUENCE DVRTKDQLFP LAKEFLDQYY SSIKRFGSKA HMDRLEEVNK EIESTSTYQL DATA SEQUENCE KDTELIYGAK HAWRNASRCV GRIQWSKLQV FDARDCTTAH GMFNYICNHV DATA SEQUENCE KYATNKGNLR SAITIFPQRT DGKHDFRVWN SQLIRYAGYK QPDGSTLGDP DATA SEQUENCE ANVQFTEICI QQGWKAPRGR FDVLPLLLQA NGNDPELFQI PPELVLEVPI DATA SEQUENCE RHPKFDWFKD LGLKWYGLPA VSNMLLEIGG LEFSACPFSG WYMGTEIGVR DATA SEQUENCE DYCDNSRYNI LEEVAKKMDL DMRKTSSLWK DQALVEINIA VLYSFQSDKV DATA SEQUENCE TIVDHHSATE SFIKHMENEY RCRGGCPADW VWIVPPMSGS ITPVFHQEML DATA SEQUENCE NYRLTPSFEY QPDPWNTHVW 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 297 G HA2 0.000 nan 3.960 nan 0.000 0.244 297 G HA3 0.000 3.960 3.960 0.001 0.000 0.244 297 G C 0.000 174.873 174.900 -0.044 0.000 0.946 297 G CA 0.000 45.080 45.100 -0.034 0.000 0.502 298 P HA 0.143 nan 4.420 nan 0.000 0.269 298 P C 0.240 177.504 177.300 -0.060 0.000 1.601 298 P CA 0.153 63.213 63.100 -0.066 0.000 0.831 298 P CB -0.045 31.612 31.700 -0.072 0.000 1.688 299 R N -2.185 118.297 120.500 -0.029 0.000 2.333 299 R HA 0.095 4.436 4.340 0.001 0.000 0.082 299 R C -0.402 176.099 176.300 0.335 0.000 0.528 299 R CA -0.209 55.934 56.100 0.072 0.000 0.877 299 R CB -1.288 29.003 30.300 -0.016 0.000 1.050 299 R HN 0.128 nan 8.270 nan 0.000 0.526 300 F N 3.481 123.468 119.950 0.062 0.000 2.975 300 F HA 0.429 4.957 4.527 0.001 0.000 0.311 300 F C 0.579 176.400 175.800 0.036 0.000 1.239 300 F CA -1.018 57.031 58.000 0.082 0.000 1.282 300 F CB 0.582 39.610 39.000 0.046 0.000 1.071 300 F HN -0.262 nan 8.300 nan 0.000 0.516 301 L N 2.128 123.427 121.223 0.127 0.000 3.184 301 L HA -0.225 4.116 4.340 0.001 0.000 0.355 301 L C -0.021 176.869 176.870 0.033 0.000 1.167 301 L CA 1.190 56.020 54.840 -0.016 0.000 0.816 301 L CB -0.286 41.632 42.059 -0.236 0.000 1.165 301 L HN 0.390 nan 8.230 nan 0.000 0.603 302 K N 3.226 123.635 120.400 0.014 0.000 2.274 302 K HA 0.577 4.898 4.320 0.001 0.000 0.262 302 K C -0.551 176.024 176.600 -0.042 0.000 0.961 302 K CA -0.663 55.614 56.287 -0.016 0.000 0.833 302 K CB 2.269 34.756 32.500 -0.021 0.000 1.102 302 K HN 0.432 nan 8.250 nan 0.000 0.436 303 V N -0.015 119.844 119.914 -0.090 0.000 2.630 303 V HA 0.579 4.699 4.120 0.001 0.000 0.305 303 V C -0.300 175.699 176.094 -0.159 0.000 1.046 303 V CA -0.924 61.324 62.300 -0.087 0.000 0.934 303 V CB 1.525 33.308 31.823 -0.067 0.000 1.003 303 V HN 0.746 nan 8.190 nan 0.000 0.451 304 K N 2.394 122.704 120.400 -0.149 0.000 2.443 304 K HA 0.433 4.753 4.320 0.001 0.000 0.251 304 K C -1.389 175.073 176.600 -0.230 0.000 0.972 304 K CA -0.753 55.363 56.287 -0.285 0.000 0.833 304 K CB 2.358 34.542 32.500 -0.526 0.000 1.317 304 K HN 0.884 nan 8.250 nan 0.000 0.441 305 N N 2.991 121.548 118.700 -0.238 0.000 2.446 305 N HA 0.178 4.918 4.740 0.001 0.000 0.265 305 N C -1.196 174.264 175.510 -0.084 0.000 0.975 305 N CA -0.424 52.602 53.050 -0.040 0.000 0.928 305 N CB 0.556 39.052 38.487 0.016 0.000 1.160 305 N HN 0.544 nan 8.380 nan 0.000 0.495 306 W N 3.356 124.726 121.300 0.118 0.000 2.136 306 W HA 0.305 4.965 4.660 0.001 0.000 0.436 306 W C 1.284 177.847 176.519 0.073 0.000 0.624 306 W CA -0.392 57.012 57.345 0.099 0.000 2.276 306 W CB 0.258 29.791 29.460 0.121 0.000 1.277 306 W HN 0.670 nan 8.180 nan 0.000 0.595 307 E N -0.902 119.395 120.200 0.163 0.000 2.629 307 E HA -0.094 4.256 4.350 0.001 0.000 0.196 307 E C 1.608 178.224 176.600 0.027 0.000 0.977 307 E CA 1.072 57.502 56.400 0.049 0.000 1.663 307 E CB 0.232 29.931 29.700 -0.001 0.000 2.258 307 E HN 0.145 nan 8.360 nan 0.000 1.079 308 T N -2.170 112.397 114.554 0.021 0.000 3.004 308 T HA 0.171 4.522 4.350 0.001 0.000 0.266 308 T C 0.279 174.952 174.700 -0.045 0.000 0.986 308 T CA 0.331 62.426 62.100 -0.008 0.000 0.902 308 T CB 0.311 69.177 68.868 -0.004 0.000 1.118 308 T HN 0.062 nan 8.240 nan 0.000 0.522 309 D N 0.910 121.263 120.400 -0.079 0.000 2.911 309 D HA -0.121 4.520 4.640 0.001 0.000 0.227 309 D C -0.356 175.844 176.300 -0.167 0.000 1.164 309 D CA 0.348 54.250 54.000 -0.164 0.000 0.782 309 D CB -1.560 39.170 40.800 -0.116 0.000 1.094 309 D HN 0.386 nan 8.370 nan 0.000 0.425 310 V N 1.107 120.937 119.914 -0.140 0.000 2.488 310 V HA 0.217 4.337 4.120 0.001 0.000 0.277 310 V C 0.811 176.797 176.094 -0.180 0.000 1.046 310 V CA -0.334 61.887 62.300 -0.132 0.000 0.986 310 V CB 1.899 33.663 31.823 -0.098 0.000 0.989 310 V HN -0.070 nan 8.190 nan 0.000 0.475 311 V N 7.135 126.945 119.914 -0.174 0.000 2.384 311 V HA 0.488 4.608 4.120 0.001 0.000 0.287 311 V C -0.149 175.830 176.094 -0.192 0.000 1.020 311 V CA -0.458 61.727 62.300 -0.192 0.000 0.850 311 V CB 1.557 33.279 31.823 -0.168 0.000 0.987 311 V HN 0.622 nan 8.190 nan 0.000 0.436 312 L N 3.759 124.819 121.223 -0.272 0.000 2.334 312 L HA 0.637 4.978 4.340 0.001 0.000 0.276 312 L C 0.114 176.837 176.870 -0.245 0.000 1.014 312 L CA -0.419 54.210 54.840 -0.351 0.000 0.815 312 L CB 2.242 43.833 42.059 -0.780 0.000 1.268 312 L HN 0.516 nan 8.230 nan 0.000 0.428 313 T N 0.470 114.969 114.554 -0.090 0.000 2.749 313 T HA 0.165 4.515 4.350 0.001 0.000 0.287 313 T C -0.570 174.225 174.700 0.158 0.000 0.970 313 T CA -0.408 61.700 62.100 0.012 0.000 0.980 313 T CB 1.075 69.926 68.868 -0.028 0.000 0.924 313 T HN 0.424 nan 8.240 nan 0.000 0.456 314 D N 2.676 123.213 120.400 0.229 0.000 2.359 314 D HA 0.174 4.814 4.640 0.001 0.000 0.230 314 D C 0.982 177.390 176.300 0.180 0.000 1.118 314 D CA -0.313 53.862 54.000 0.293 0.000 0.844 314 D CB 1.406 42.450 40.800 0.406 0.000 1.059 314 D HN 0.618 nan 8.370 nan 0.000 0.493 315 T N 1.076 115.614 114.554 -0.028 0.000 2.990 315 T HA -0.043 4.307 4.350 0.001 0.000 0.250 315 T C 1.857 176.407 174.700 -0.250 0.000 1.041 315 T CA -0.233 61.765 62.100 -0.170 0.000 1.010 315 T CB 0.095 68.736 68.868 -0.380 0.000 1.003 315 T HN 0.251 nan 8.240 nan 0.000 0.499 316 L N 3.271 124.392 121.223 -0.169 0.000 2.131 316 L HA -0.105 4.235 4.340 0.001 0.000 0.210 316 L C 2.562 179.209 176.870 -0.372 0.000 1.092 316 L CA 1.921 56.649 54.840 -0.186 0.000 0.759 316 L CB -1.000 41.019 42.059 -0.067 0.000 0.903 316 L HN 0.590 nan 8.230 nan 0.000 0.435 317 H N -0.994 117.706 119.070 -0.617 0.000 2.518 317 H HA -0.163 4.394 4.556 0.001 0.000 0.292 317 H C 1.870 176.894 175.328 -0.507 0.000 1.068 317 H CA 1.524 56.880 56.048 -1.153 0.000 1.275 317 H CB -0.764 28.413 29.762 -0.974 0.000 1.375 317 H HN 0.459 nan 8.280 nan 0.000 0.563 318 L N 0.267 120.923 121.223 -0.944 0.000 2.376 318 L HA -0.036 4.305 4.340 0.001 0.000 0.219 318 L C 2.228 178.925 176.870 -0.288 0.000 1.133 318 L CA 0.882 55.378 54.840 -0.573 0.000 0.816 318 L CB -0.168 41.610 42.059 -0.469 0.000 0.933 318 L HN 0.144 nan 8.230 nan 0.000 0.449 319 K N -0.075 120.176 120.400 -0.249 0.000 2.404 319 K HA 0.055 4.376 4.320 0.001 0.000 0.194 319 K C 0.759 177.315 176.600 -0.074 0.000 1.023 319 K CA -0.104 56.106 56.287 -0.127 0.000 1.094 319 K CB 0.334 32.779 32.500 -0.091 0.000 0.841 319 K HN 0.264 nan 8.250 nan 0.000 0.523 320 S N -0.405 115.240 115.700 -0.092 0.000 2.585 320 S HA 0.151 4.622 4.470 0.001 0.000 0.277 320 S C 0.786 175.366 174.600 -0.033 0.000 1.241 320 S CA -0.457 57.735 58.200 -0.014 0.000 1.041 320 S CB 1.719 64.955 63.200 0.061 0.000 0.987 320 S HN 0.158 nan 8.310 nan 0.000 0.512 321 T N 0.510 115.048 114.554 -0.027 0.000 2.993 321 T HA 0.306 4.656 4.350 0.001 0.000 0.260 321 T C 0.267 174.935 174.700 -0.053 0.000 0.939 321 T CA -0.340 61.738 62.100 -0.037 0.000 0.886 321 T CB -0.434 68.411 68.868 -0.037 0.000 1.209 321 T HN 0.554 nan 8.240 nan 0.000 0.518 322 L N 2.477 123.654 121.223 -0.076 0.000 2.439 322 L HA 0.521 4.862 4.340 0.001 0.000 0.261 322 L C 0.344 177.187 176.870 -0.044 0.000 1.153 322 L CA -1.122 53.642 54.840 -0.128 0.000 0.808 322 L CB 0.588 42.507 42.059 -0.233 0.000 1.126 322 L HN 0.245 nan 8.230 nan 0.000 0.460 323 E N 0.390 120.572 120.200 -0.030 0.000 2.366 323 E HA 0.083 4.433 4.350 0.001 0.000 0.266 323 E C 0.678 177.301 176.600 0.038 0.000 1.051 323 E CA 0.053 56.466 56.400 0.022 0.000 0.884 323 E CB 1.067 30.794 29.700 0.045 0.000 1.006 323 E HN 0.712 nan 8.360 nan 0.000 0.417 324 T N -1.483 113.100 114.554 0.047 0.000 3.039 324 T HA 0.250 4.601 4.350 0.001 0.000 0.250 324 T C 1.289 176.021 174.700 0.054 0.000 1.052 324 T CA 0.452 62.584 62.100 0.053 0.000 1.125 324 T CB 0.226 69.131 68.868 0.063 0.000 0.908 324 T HN 0.677 nan 8.240 nan 0.000 0.473 325 G N 0.305 109.136 108.800 0.052 0.000 2.211 325 G HA2 -0.169 3.791 3.960 0.001 0.000 0.201 325 G HA3 -0.169 3.791 3.960 0.001 0.000 0.201 325 G C 0.174 175.104 174.900 0.049 0.000 0.997 325 G CA -0.280 44.852 45.100 0.054 0.000 0.652 325 G HN 0.745 nan 8.290 nan 0.000 0.500 326 C N 1.112 120.439 119.300 0.044 0.000 2.345 326 C HA 0.999 5.460 4.460 0.001 0.000 0.370 326 C C 0.961 175.967 174.990 0.025 0.000 1.209 326 C CA 0.428 59.468 59.018 0.037 0.000 2.133 326 C CB 1.150 28.911 27.740 0.035 0.000 2.293 326 C HN 0.954 nan 8.230 nan 0.000 0.544 327 T N -1.500 113.063 114.554 0.014 0.000 2.669 327 T HA 0.422 4.773 4.350 0.001 0.000 0.283 327 T C 0.198 174.861 174.700 -0.063 0.000 1.019 327 T CA -0.396 61.695 62.100 -0.015 0.000 1.039 327 T CB 0.964 69.838 68.868 0.009 0.000 1.374 327 T HN 0.459 nan 8.240 nan 0.000 0.523 328 E N -0.164 119.932 120.200 -0.173 0.000 2.216 328 E HA 0.046 4.397 4.350 0.001 0.000 0.192 328 E C 1.657 178.109 176.600 -0.247 0.000 0.988 328 E CA 0.926 57.176 56.400 -0.250 0.000 0.834 328 E CB -0.173 29.298 29.700 -0.382 0.000 0.772 328 E HN 0.579 nan 8.360 nan 0.000 0.479 329 H N -1.041 118.036 119.070 0.012 0.000 2.563 329 H HA 0.373 4.929 4.556 0.001 0.000 0.264 329 H C 0.366 175.700 175.328 0.011 0.000 0.957 329 H CA 0.241 56.295 56.048 0.010 0.000 1.173 329 H CB 0.895 30.663 29.762 0.010 0.000 1.420 329 H HN 0.122 nan 8.280 nan 0.000 0.551 330 I N -0.148 120.479 120.570 0.095 0.000 2.913 330 I HA 0.265 4.435 4.170 0.001 0.000 0.302 330 I C -1.353 174.789 176.117 0.042 0.000 1.246 330 I CA -0.847 60.494 61.300 0.068 0.000 1.010 330 I CB 2.661 40.705 38.000 0.073 0.000 1.259 330 I HN -0.002 nan 8.210 nan 0.000 0.434 331 C N 7.224 126.546 119.300 0.037 0.000 2.396 331 C HA 0.599 5.059 4.460 0.001 0.000 0.321 331 C C 0.240 175.255 174.990 0.042 0.000 1.233 331 C CA -0.510 58.528 59.018 0.034 0.000 1.440 331 C CB 0.925 28.678 27.740 0.022 0.000 2.110 331 C HN 0.842 nan 8.230 nan 0.000 0.473 332 M N 4.617 124.247 119.600 0.050 0.000 2.771 332 M HA 0.235 4.716 4.480 0.001 0.000 0.341 332 M C 1.633 177.977 176.300 0.073 0.000 1.226 332 M CA 0.001 55.337 55.300 0.060 0.000 0.955 332 M CB 0.460 33.096 32.600 0.060 0.000 1.318 332 M HN 0.940 nan 8.290 nan 0.000 0.514 333 G N 0.689 109.532 108.800 0.072 0.000 2.625 333 G HA2 -0.137 3.823 3.960 0.001 0.000 0.214 333 G HA3 -0.137 3.823 3.960 0.001 0.000 0.214 333 G C 1.273 176.251 174.900 0.130 0.000 1.132 333 G CA 1.091 46.247 45.100 0.093 0.000 0.782 333 G HN 0.563 nan 8.290 nan 0.000 0.538 334 S N -0.456 115.315 115.700 0.119 0.000 2.593 334 S HA 0.386 4.857 4.470 0.001 0.000 0.236 334 S C 0.427 175.114 174.600 0.145 0.000 0.991 334 S CA -0.605 57.681 58.200 0.144 0.000 0.963 334 S CB 0.182 63.447 63.200 0.108 0.000 0.865 334 S HN -0.031 nan 8.310 nan 0.000 0.488 335 I N 2.974 123.624 120.570 0.133 0.000 2.325 335 I HA 0.255 4.426 4.170 0.001 0.000 0.291 335 I C 1.618 177.833 176.117 0.165 0.000 1.019 335 I CA -0.313 61.062 61.300 0.125 0.000 1.302 335 I CB 0.811 38.868 38.000 0.095 0.000 1.401 335 I HN 0.258 nan 8.210 nan 0.000 0.485 336 M N 5.774 125.482 119.600 0.180 0.000 2.084 336 M HA -0.114 4.366 4.480 0.001 0.000 0.259 336 M C 0.826 177.243 176.300 0.195 0.000 1.072 336 M CA 1.897 57.336 55.300 0.231 0.000 1.107 336 M CB -0.259 32.447 32.600 0.177 0.000 1.299 336 M HN 0.397 nan 8.290 nan 0.000 0.413 337 L N 1.896 123.194 121.223 0.125 0.000 2.589 337 L HA 0.243 4.583 4.340 0.001 0.000 0.244 337 L C -1.920 175.013 176.870 0.104 0.000 1.159 337 L CA -1.426 53.486 54.840 0.121 0.000 1.074 337 L CB -0.189 41.895 42.059 0.041 0.000 1.391 337 L HN 0.036 nan 8.230 nan 0.000 0.423 338 P HA 0.040 nan 4.420 nan 0.000 0.256 338 P C -0.018 177.329 177.300 0.079 0.000 1.688 338 P CA -0.189 62.961 63.100 0.084 0.000 1.162 338 P CB 0.284 32.032 31.700 0.080 0.000 1.870 339 S N 3.113 118.854 115.700 0.069 0.000 2.945 339 S HA -0.082 4.388 4.470 0.001 0.000 0.317 339 S C 0.616 175.253 174.600 0.061 0.000 0.836 339 S CA 0.522 58.757 58.200 0.058 0.000 2.148 339 S CB -0.888 62.337 63.200 0.040 0.000 1.289 339 S HN 0.433 nan 8.310 nan 0.000 0.689 340 Q N 1.846 121.694 119.800 0.079 0.000 3.761 340 Q HA 0.185 4.526 4.340 0.001 0.000 0.206 340 Q C -0.820 175.283 176.000 0.171 0.000 0.900 340 Q CA -0.284 55.578 55.803 0.100 0.000 0.737 340 Q CB 0.190 28.978 28.738 0.084 0.000 1.454 340 Q HN 0.797 nan 8.270 nan 0.000 0.448 341 H N -1.329 117.754 119.070 0.022 0.000 3.373 341 H HA -0.126 4.430 4.556 0.001 0.000 0.376 341 H C 0.006 175.343 175.328 0.015 0.000 1.330 341 H CA 0.971 57.028 56.048 0.015 0.000 1.337 341 H CB -1.017 28.751 29.762 0.011 0.000 1.496 341 H HN 0.496 nan 8.280 nan 0.000 0.458 342 T N 0.367 114.890 114.554 -0.052 0.000 2.990 342 T HA 0.289 4.640 4.350 0.001 0.000 0.237 342 T C 0.331 174.993 174.700 -0.062 0.000 1.009 342 T CA 0.276 62.373 62.100 -0.004 0.000 1.195 342 T CB 0.402 69.285 68.868 0.024 0.000 0.885 342 T HN 0.339 nan 8.240 nan 0.000 0.424 343 R N 1.358 121.786 120.500 -0.119 0.000 2.360 343 R HA 0.085 4.426 4.340 0.001 0.000 0.233 343 R C -1.454 174.785 176.300 -0.102 0.000 0.778 343 R CA -0.303 55.723 56.100 -0.123 0.000 0.780 343 R CB -0.276 29.988 30.300 -0.060 0.000 1.482 343 R HN 0.306 nan 8.270 nan 0.000 0.312 344 K N 2.280 122.608 120.400 -0.120 0.000 2.527 344 K HA 0.031 4.351 4.320 0.001 0.000 0.278 344 K C -1.269 175.292 176.600 -0.064 0.000 0.981 344 K CA -0.409 55.829 56.287 -0.081 0.000 1.009 344 K CB 0.536 32.992 32.500 -0.074 0.000 0.895 344 K HN 0.227 nan 8.250 nan 0.000 0.493 345 P HA -0.027 nan 4.420 nan 0.000 0.298 345 P C 0.167 177.447 177.300 -0.033 0.000 1.367 345 P CA 0.167 63.237 63.100 -0.050 0.000 0.821 345 P CB 0.114 31.779 31.700 -0.058 0.000 2.025 346 E N 0.370 120.553 120.200 -0.027 0.000 3.472 346 E HA -0.361 3.989 4.350 0.001 0.000 0.466 346 E C 0.390 176.990 176.600 0.000 0.000 1.624 346 E CA 2.183 58.577 56.400 -0.011 0.000 1.184 346 E CB -2.513 27.184 29.700 -0.005 0.000 1.266 346 E HN 0.586 nan 8.360 nan 0.000 0.416 347 D N 1.915 122.319 120.400 0.007 0.000 2.384 347 D HA 0.556 5.197 4.640 0.001 0.000 0.257 347 D C 0.903 177.209 176.300 0.010 0.000 1.226 347 D CA 0.218 54.230 54.000 0.020 0.000 1.129 347 D CB 0.351 41.166 40.800 0.024 0.000 1.197 347 D HN 0.646 nan 8.370 nan 0.000 0.571 348 V N -5.100 114.822 119.914 0.014 0.000 3.089 348 V HA 0.543 4.664 4.120 0.001 0.000 0.312 348 V C 0.252 176.353 176.094 0.013 0.000 1.433 348 V CA -1.323 60.981 62.300 0.006 0.000 1.025 348 V CB 0.512 32.339 31.823 0.006 0.000 1.077 348 V HN 0.424 nan 8.190 nan 0.000 0.478 349 R N 1.129 121.637 120.500 0.014 0.000 3.445 349 R HA 0.503 4.843 4.340 0.001 0.000 0.244 349 R C 0.151 176.475 176.300 0.039 0.000 1.011 349 R CA 1.044 57.162 56.100 0.030 0.000 1.124 349 R CB -0.704 29.619 30.300 0.039 0.000 0.927 349 R HN 1.181 nan 8.270 nan 0.000 0.474 350 T N -3.772 110.814 114.554 0.053 0.000 2.786 350 T HA 0.214 4.565 4.350 0.001 0.000 0.316 350 T C 0.702 175.445 174.700 0.072 0.000 1.503 350 T CA -1.017 61.115 62.100 0.054 0.000 1.019 350 T CB 1.561 70.457 68.868 0.045 0.000 1.415 350 T HN 0.483 nan 8.240 nan 0.000 0.496 351 K N 1.116 121.556 120.400 0.066 0.000 2.089 351 K HA -0.220 4.101 4.320 0.001 0.000 0.210 351 K C 1.163 177.817 176.600 0.091 0.000 1.048 351 K CA 2.239 58.572 56.287 0.076 0.000 0.926 351 K CB -0.710 31.817 32.500 0.045 0.000 0.714 351 K HN 0.746 nan 8.250 nan 0.000 0.448 352 D N 1.854 122.297 120.400 0.072 0.000 2.084 352 D HA -0.204 4.436 4.640 0.001 0.000 0.194 352 D C 2.127 178.483 176.300 0.093 0.000 0.990 352 D CA 1.367 55.413 54.000 0.075 0.000 0.826 352 D CB -0.553 40.280 40.800 0.055 0.000 0.971 352 D HN 0.420 nan 8.370 nan 0.000 0.453 353 Q N -0.195 119.654 119.800 0.082 0.000 2.119 353 Q HA -0.066 4.274 4.340 0.001 0.000 0.201 353 Q C 2.338 178.397 176.000 0.098 0.000 0.972 353 Q CA 0.462 56.315 55.803 0.082 0.000 0.847 353 Q CB -0.060 28.720 28.738 0.069 0.000 0.903 353 Q HN 0.167 nan 8.270 nan 0.000 0.433 354 L N -0.048 121.248 121.223 0.120 0.000 2.023 354 L HA -0.105 4.236 4.340 0.001 0.000 0.205 354 L C 2.037 179.006 176.870 0.165 0.000 1.073 354 L CA 1.554 56.484 54.840 0.150 0.000 0.745 354 L CB -0.729 41.437 42.059 0.179 0.000 0.900 354 L HN 0.095 nan 8.230 nan 0.000 0.435 355 F N 1.077 121.050 119.950 0.040 0.000 2.069 355 F HA -0.127 4.401 4.527 0.001 0.000 0.298 355 F C -0.483 175.329 175.800 0.020 0.000 1.113 355 F CA 1.766 59.768 58.000 0.002 0.000 1.214 355 F CB -1.808 37.182 39.000 -0.017 0.000 0.978 355 F HN 0.146 nan 8.300 nan 0.000 0.474 356 P HA -0.218 nan 4.420 nan 0.000 0.216 356 P C 2.145 179.372 177.300 -0.120 0.000 1.153 356 P CA 1.909 64.948 63.100 -0.103 0.000 0.858 356 P CB -0.158 31.558 31.700 0.027 0.000 0.789 357 L N -1.216 119.987 121.223 -0.034 0.000 2.017 357 L HA -0.187 4.154 4.340 0.001 0.000 0.208 357 L C 2.494 179.382 176.870 0.030 0.000 1.073 357 L CA 1.757 56.609 54.840 0.020 0.000 0.745 357 L CB -1.313 40.784 42.059 0.063 0.000 0.894 357 L HN -0.032 nan 8.230 nan 0.000 0.432 358 A N -0.044 122.758 122.820 -0.030 0.000 1.933 358 A HA -0.251 4.069 4.320 0.001 0.000 0.218 358 A C 2.412 179.919 177.584 -0.127 0.000 1.175 358 A CA 1.908 53.933 52.037 -0.020 0.000 0.628 358 A CB -0.442 18.396 19.000 -0.269 0.000 0.814 358 A HN 0.330 nan 8.150 nan 0.000 0.444 359 K N -0.550 119.598 120.400 -0.420 0.000 2.057 359 K HA -0.170 4.151 4.320 0.001 0.000 0.207 359 K C 1.864 178.422 176.600 -0.069 0.000 1.049 359 K CA 1.433 57.495 56.287 -0.374 0.000 0.931 359 K CB -0.111 32.059 32.500 -0.549 0.000 0.714 359 K HN 0.385 nan 8.250 nan 0.000 0.440 360 E N 0.273 120.464 120.200 -0.014 0.000 2.051 360 E HA -0.204 4.146 4.350 0.001 0.000 0.192 360 E C 1.801 178.488 176.600 0.145 0.000 0.991 360 E CA 1.027 57.469 56.400 0.071 0.000 0.799 360 E CB -0.385 29.355 29.700 0.067 0.000 0.748 360 E HN 0.337 nan 8.360 nan 0.000 0.449 361 F N 1.514 121.499 119.950 0.058 0.000 2.134 361 F HA -0.157 4.371 4.527 0.001 0.000 0.299 361 F C 2.117 178.007 175.800 0.150 0.000 1.097 361 F CA 1.177 59.247 58.000 0.116 0.000 1.264 361 F CB -0.353 38.722 39.000 0.124 0.000 1.001 361 F HN -0.086 nan 8.300 nan 0.000 0.479 362 L N -0.123 121.047 121.223 -0.088 0.000 2.056 362 L HA -0.184 4.156 4.340 0.001 0.000 0.207 362 L C 2.162 179.074 176.870 0.070 0.000 1.078 362 L CA 1.395 56.207 54.840 -0.047 0.000 0.749 362 L CB -0.914 41.238 42.059 0.155 0.000 0.901 362 L HN 0.034 nan 8.230 nan 0.000 0.433 363 D N -0.330 120.177 120.400 0.178 0.000 2.149 363 D HA -0.242 4.399 4.640 0.001 0.000 0.198 363 D C 2.102 178.481 176.300 0.131 0.000 0.990 363 D CA 1.053 55.263 54.000 0.350 0.000 0.839 363 D CB -0.134 40.971 40.800 0.508 0.000 0.948 363 D HN 0.353 nan 8.370 nan 0.000 0.460 364 Q N -0.875 118.924 119.800 -0.001 0.000 2.046 364 Q HA -0.205 4.135 4.340 0.001 0.000 0.200 364 Q C 2.148 177.985 176.000 -0.272 0.000 0.975 364 Q CA 0.969 56.731 55.803 -0.068 0.000 0.836 364 Q CB -0.189 28.568 28.738 0.031 0.000 0.896 364 Q HN 0.353 nan 8.270 nan 0.000 0.428 365 Y N -0.070 119.828 120.300 -0.670 0.000 2.181 365 Y HA -0.266 4.284 4.550 0.001 0.000 0.288 365 Y C 1.418 176.827 175.900 -0.818 0.000 1.146 365 Y CA 1.743 59.135 58.100 -1.181 0.000 1.164 365 Y CB -0.488 37.149 38.460 -1.372 0.000 0.982 365 Y HN 0.196 nan 8.280 nan 0.000 0.515 366 Y N -0.495 119.328 120.300 -0.795 0.000 2.509 366 Y HA -0.108 4.443 4.550 0.001 0.000 0.293 366 Y C 2.649 178.278 175.900 -0.453 0.000 1.133 366 Y CA 1.386 59.042 58.100 -0.740 0.000 1.283 366 Y CB -0.245 37.679 38.460 -0.894 0.000 1.001 366 Y HN 0.096 nan 8.280 nan 0.000 0.555 367 S N -1.083 114.488 115.700 -0.215 0.000 2.395 367 S HA -0.141 4.329 4.470 0.001 0.000 0.225 367 S C 2.193 176.681 174.600 -0.187 0.000 1.027 367 S CA 1.152 59.270 58.200 -0.136 0.000 0.965 367 S CB -0.240 62.865 63.200 -0.158 0.000 0.812 367 S HN 0.388 nan 8.310 nan 0.000 0.482 368 S N 2.510 118.043 115.700 -0.277 0.000 2.359 368 S HA -0.094 4.377 4.470 0.001 0.000 0.224 368 S C 1.898 176.370 174.600 -0.214 0.000 1.035 368 S CA 1.560 59.651 58.200 -0.181 0.000 1.018 368 S CB -0.571 62.526 63.200 -0.172 0.000 0.876 368 S HN 0.767 nan 8.310 nan 0.000 0.448 369 I N -2.203 118.123 120.570 -0.407 0.000 3.428 369 I HA 0.202 4.373 4.170 0.001 0.000 0.286 369 I C -0.255 175.742 176.117 -0.200 0.000 1.287 369 I CA 0.361 61.461 61.300 -0.334 0.000 1.396 369 I CB -0.127 37.549 38.000 -0.540 0.000 1.062 369 I HN -0.067 nan 8.210 nan 0.000 0.471 370 K N 2.292 122.593 120.400 -0.164 0.000 3.241 370 K HA -0.096 4.224 4.320 0.001 0.000 0.270 370 K C -0.346 176.243 176.600 -0.018 0.000 1.118 370 K CA 0.318 56.565 56.287 -0.066 0.000 0.792 370 K CB -1.266 31.206 32.500 -0.048 0.000 1.283 370 K HN 0.547 nan 8.250 nan 0.000 0.480 371 R N -0.227 120.281 120.500 0.012 0.000 2.592 371 R HA 0.155 4.495 4.340 0.001 0.000 0.439 371 R C 0.131 176.515 176.300 0.139 0.000 0.995 371 R CA -0.503 55.655 56.100 0.097 0.000 1.141 371 R CB -0.131 30.273 30.300 0.173 0.000 1.495 371 R HN 0.147 nan 8.270 nan 0.000 0.579 372 F N 2.130 122.073 119.950 -0.012 0.000 2.602 372 F HA 0.223 4.750 4.527 0.001 0.000 0.385 372 F C 1.442 177.361 175.800 0.197 0.000 1.063 372 F CA 1.784 59.820 58.000 0.061 0.000 1.233 372 F CB 0.584 39.593 39.000 0.015 0.000 1.067 372 F HN 0.583 nan 8.300 nan 0.000 0.564 373 G N 3.459 112.151 108.800 -0.180 0.000 2.160 373 G HA2 -0.265 3.695 3.960 0.001 0.000 0.251 373 G HA3 -0.265 3.695 3.960 0.001 0.000 0.251 373 G C 0.212 175.019 174.900 -0.156 0.000 1.008 373 G CA 0.380 45.274 45.100 -0.343 0.000 0.724 373 G HN 1.127 nan 8.290 nan 0.000 0.514 374 S N -1.371 114.286 115.700 -0.072 0.000 2.694 374 S HA 0.743 5.213 4.470 0.001 0.000 0.278 374 S C 1.420 175.962 174.600 -0.097 0.000 1.152 374 S CA 0.146 58.317 58.200 -0.049 0.000 1.010 374 S CB 1.784 64.995 63.200 0.017 0.000 1.104 374 S HN 0.030 nan 8.310 nan 0.000 0.547 375 K N 0.718 121.083 120.400 -0.059 0.000 2.002 375 K HA 0.092 4.412 4.320 0.001 0.000 0.209 375 K C 2.387 178.944 176.600 -0.072 0.000 1.048 375 K CA 1.775 58.023 56.287 -0.065 0.000 0.930 375 K CB -1.604 30.878 32.500 -0.030 0.000 0.714 375 K HN 0.757 nan 8.250 nan 0.000 0.438 376 A N 0.171 122.978 122.820 -0.022 0.000 1.908 376 A HA -0.233 4.088 4.320 0.001 0.000 0.218 376 A C 2.272 179.743 177.584 -0.188 0.000 1.181 376 A CA 2.057 54.107 52.037 0.022 0.000 0.627 376 A CB -0.846 18.275 19.000 0.203 0.000 0.818 376 A HN 0.615 nan 8.150 nan 0.000 0.445 377 H N -1.525 117.173 119.070 -0.620 0.000 2.276 377 H HA -0.122 4.434 4.556 0.001 0.000 0.301 377 H C 2.152 177.128 175.328 -0.586 0.000 1.073 377 H CA 1.474 56.832 56.048 -1.150 0.000 1.311 377 H CB -0.062 29.118 29.762 -0.969 0.000 1.379 377 H HN 0.325 nan 8.280 nan 0.000 0.494 378 M N 1.049 120.398 119.600 -0.419 0.000 2.065 378 M HA -0.174 4.306 4.480 0.001 0.000 0.259 378 M C 1.839 178.013 176.300 -0.210 0.000 1.069 378 M CA 1.332 56.416 55.300 -0.361 0.000 1.110 378 M CB -1.032 31.407 32.600 -0.269 0.000 1.328 378 M HN 0.340 nan 8.290 nan 0.000 0.405 379 D N -0.375 119.938 120.400 -0.145 0.000 2.123 379 D HA -0.177 4.464 4.640 0.001 0.000 0.196 379 D C 2.101 178.373 176.300 -0.047 0.000 0.992 379 D CA 1.214 55.169 54.000 -0.076 0.000 0.833 379 D CB -0.394 40.380 40.800 -0.043 0.000 0.954 379 D HN 0.147 nan 8.370 nan 0.000 0.455 380 R N 0.856 121.326 120.500 -0.050 0.000 2.096 380 R HA -0.019 4.321 4.340 0.001 0.000 0.235 380 R C 2.268 178.583 176.300 0.024 0.000 1.127 380 R CA 0.889 57.005 56.100 0.025 0.000 0.968 380 R CB -0.941 29.414 30.300 0.091 0.000 0.861 380 R HN 0.229 nan 8.270 nan 0.000 0.440 381 L N 0.126 121.328 121.223 -0.034 0.000 2.017 381 L HA -0.154 4.186 4.340 0.001 0.000 0.208 381 L C 2.330 179.251 176.870 0.085 0.000 1.073 381 L CA 1.686 56.541 54.840 0.025 0.000 0.745 381 L CB -0.436 41.582 42.059 -0.068 0.000 0.894 381 L HN 0.228 nan 8.230 nan 0.000 0.432 382 E N 0.134 120.333 120.200 -0.001 0.000 2.106 382 E HA -0.237 4.113 4.350 0.001 0.000 0.192 382 E C 1.904 178.490 176.600 -0.022 0.000 0.984 382 E CA 1.106 57.488 56.400 -0.030 0.000 0.806 382 E CB 0.033 29.699 29.700 -0.057 0.000 0.750 382 E HN 0.383 nan 8.360 nan 0.000 0.458 383 E N -0.372 119.830 120.200 0.004 0.000 2.038 383 E HA -0.169 4.181 4.350 0.001 0.000 0.195 383 E C 2.027 178.645 176.600 0.030 0.000 1.000 383 E CA 1.692 58.105 56.400 0.021 0.000 0.803 383 E CB 0.025 29.752 29.700 0.045 0.000 0.750 383 E HN 0.109 nan 8.360 nan 0.000 0.448 384 V N 1.822 121.761 119.914 0.042 0.000 2.255 384 V HA -0.306 3.814 4.120 0.001 0.000 0.247 384 V C 2.431 178.541 176.094 0.027 0.000 1.051 384 V CA 2.127 64.430 62.300 0.005 0.000 1.018 384 V CB -0.906 30.845 31.823 -0.119 0.000 0.641 384 V HN 0.392 nan 8.190 nan 0.000 0.445 385 N N 0.268 118.992 118.700 0.041 0.000 2.094 385 N HA -0.201 4.539 4.740 0.001 0.000 0.191 385 N C 1.790 177.163 175.510 -0.228 0.000 1.023 385 N CA 1.599 54.433 53.050 -0.359 0.000 0.857 385 N CB -0.196 37.859 38.487 -0.721 0.000 1.013 385 N HN 0.320 nan 8.380 nan 0.000 0.426 386 K N 0.718 121.044 120.400 -0.123 0.000 2.002 386 K HA -0.138 4.182 4.320 0.001 0.000 0.209 386 K C 1.916 178.499 176.600 -0.028 0.000 1.048 386 K CA 1.080 57.320 56.287 -0.077 0.000 0.930 386 K CB -0.606 31.866 32.500 -0.047 0.000 0.714 386 K HN 0.514 nan 8.250 nan 0.000 0.438 387 E N 0.759 120.968 120.200 0.014 0.000 2.204 387 E HA -0.140 4.211 4.350 0.001 0.000 0.195 387 E C 2.008 178.655 176.600 0.079 0.000 0.990 387 E CA 0.639 57.075 56.400 0.060 0.000 0.821 387 E CB 0.005 29.770 29.700 0.109 0.000 0.750 387 E HN 0.235 nan 8.360 nan 0.000 0.477 388 I N 0.850 121.462 120.570 0.069 0.000 2.233 388 I HA -0.195 3.975 4.170 0.001 0.000 0.243 388 I C 2.432 178.576 176.117 0.045 0.000 1.093 388 I CA 0.836 62.194 61.300 0.095 0.000 1.380 388 I CB -0.130 37.940 38.000 0.117 0.000 1.067 388 I HN 0.074 nan 8.210 nan 0.000 0.413 389 E N 0.676 120.871 120.200 -0.009 0.000 2.204 389 E HA -0.154 4.196 4.350 0.001 0.000 0.194 389 E C 2.313 178.913 176.600 0.000 0.000 0.989 389 E CA 1.604 57.995 56.400 -0.016 0.000 0.824 389 E CB -0.064 29.603 29.700 -0.055 0.000 0.756 389 E HN 0.547 nan 8.360 nan 0.000 0.477 390 S N -0.122 115.582 115.700 0.006 0.000 2.356 390 S HA -0.085 4.386 4.470 0.001 0.000 0.219 390 S C 2.172 176.788 174.600 0.027 0.000 1.036 390 S CA 1.509 59.717 58.200 0.013 0.000 0.965 390 S CB -0.596 62.611 63.200 0.012 0.000 0.864 390 S HN 0.266 nan 8.310 nan 0.000 0.471 391 T N -1.894 112.685 114.554 0.042 0.000 3.107 391 T HA 0.300 4.650 4.350 0.001 0.000 0.249 391 T C 0.654 175.386 174.700 0.054 0.000 1.096 391 T CA 0.539 62.668 62.100 0.048 0.000 1.012 391 T CB -0.503 68.401 68.868 0.060 0.000 0.977 391 T HN 0.302 nan 8.240 nan 0.000 0.527 392 S N 0.172 115.907 115.700 0.058 0.000 3.561 392 S HA -0.133 4.338 4.470 0.001 0.000 0.318 392 S C 0.203 174.854 174.600 0.084 0.000 1.181 392 S CA 1.089 59.327 58.200 0.063 0.000 0.916 392 S CB -2.053 61.175 63.200 0.046 0.000 0.966 392 S HN 1.105 nan 8.310 nan 0.000 0.550 393 T N -1.225 113.401 114.554 0.119 0.000 2.660 393 T HA 0.553 4.903 4.350 0.001 0.000 0.299 393 T C -2.167 172.688 174.700 0.258 0.000 1.763 393 T CA -0.012 62.179 62.100 0.151 0.000 0.959 393 T CB 0.952 69.850 68.868 0.049 0.000 1.935 393 T HN 1.033 nan 8.240 nan 0.000 0.470 394 Y N -0.401 119.921 120.300 0.037 0.000 2.677 394 Y HA 0.777 5.328 4.550 0.001 0.000 0.334 394 Y C -1.737 174.189 175.900 0.044 0.000 1.196 394 Y CA -1.143 56.989 58.100 0.053 0.000 1.059 394 Y CB 0.897 39.409 38.460 0.087 0.000 1.315 394 Y HN 0.536 nan 8.280 nan 0.000 0.455 395 Q N 2.403 122.225 119.800 0.036 0.000 2.306 395 Q HA 0.547 4.887 4.340 0.001 0.000 0.265 395 Q C -1.183 174.849 176.000 0.054 0.000 1.022 395 Q CA -0.939 54.831 55.803 -0.054 0.000 0.853 395 Q CB 3.078 31.835 28.738 0.032 0.000 1.327 395 Q HN 0.818 nan 8.270 nan 0.000 0.449 396 L N 1.672 122.896 121.223 0.003 0.000 2.307 396 L HA 0.378 4.719 4.340 0.001 0.000 0.282 396 L C 0.637 177.545 176.870 0.062 0.000 1.051 396 L CA -0.557 54.338 54.840 0.092 0.000 0.804 396 L CB 0.872 42.961 42.059 0.050 0.000 1.197 396 L HN 0.334 nan 8.230 nan 0.000 0.431 397 K N 1.313 121.752 120.400 0.065 0.000 2.234 397 K HA -0.035 4.285 4.320 0.001 0.000 0.251 397 K C 0.206 176.800 176.600 -0.011 0.000 1.011 397 K CA -0.284 56.020 56.287 0.027 0.000 0.889 397 K CB 0.536 33.048 32.500 0.020 0.000 1.011 397 K HN 0.490 nan 8.250 nan 0.000 0.505 398 D N 0.165 120.559 120.400 -0.010 0.000 2.219 398 D HA -0.132 4.508 4.640 0.001 0.000 0.205 398 D C 1.795 178.075 176.300 -0.032 0.000 0.970 398 D CA 1.568 55.554 54.000 -0.023 0.000 0.851 398 D CB -0.071 40.723 40.800 -0.011 0.000 0.943 398 D HN 0.693 nan 8.370 nan 0.000 0.488 399 T N -1.473 113.058 114.554 -0.038 0.000 2.857 399 T HA -0.074 4.277 4.350 0.001 0.000 0.266 399 T C 1.680 176.306 174.700 -0.123 0.000 1.048 399 T CA 0.731 62.812 62.100 -0.032 0.000 1.139 399 T CB -0.318 68.557 68.868 0.010 0.000 0.874 399 T HN 0.178 nan 8.240 nan 0.000 0.455 400 E N 0.892 120.918 120.200 -0.291 0.000 2.208 400 E HA 0.065 4.415 4.350 0.001 0.000 0.193 400 E C 2.016 178.646 176.600 0.050 0.000 0.988 400 E CA 0.561 56.757 56.400 -0.340 0.000 0.828 400 E CB -0.229 29.330 29.700 -0.235 0.000 0.763 400 E HN 0.357 nan 8.360 nan 0.000 0.478 401 L N 0.717 121.926 121.223 -0.022 0.000 2.179 401 L HA -0.024 4.317 4.340 0.001 0.000 0.208 401 L C 1.971 178.810 176.870 -0.052 0.000 1.096 401 L CA 1.178 55.972 54.840 -0.077 0.000 0.779 401 L CB 0.090 42.069 42.059 -0.134 0.000 0.922 401 L HN 0.053 nan 8.230 nan 0.000 0.443 402 I N -1.604 118.969 120.570 0.005 0.000 2.500 402 I HA -0.253 3.918 4.170 0.001 0.000 0.252 402 I C 2.181 178.380 176.117 0.137 0.000 1.142 402 I CA 1.040 62.361 61.300 0.035 0.000 1.451 402 I CB -0.267 37.752 38.000 0.031 0.000 1.093 402 I HN 0.331 nan 8.210 nan 0.000 0.430 403 Y N 1.555 121.895 120.300 0.068 0.000 2.263 403 Y HA -0.077 4.474 4.550 0.001 0.000 0.292 403 Y C 2.321 178.314 175.900 0.154 0.000 1.130 403 Y CA 1.487 59.660 58.100 0.122 0.000 1.179 403 Y CB -0.418 38.117 38.460 0.126 0.000 0.998 403 Y HN 0.046 nan 8.280 nan 0.000 0.532 404 G N -0.160 108.780 108.800 0.234 0.000 2.394 404 G HA2 -0.182 3.779 3.960 0.001 0.000 0.215 404 G HA3 -0.182 3.779 3.960 0.001 0.000 0.215 404 G C 1.786 176.641 174.900 -0.075 0.000 1.165 404 G CA 0.732 45.867 45.100 0.060 0.000 0.784 404 G HN 0.561 nan 8.290 nan 0.000 0.535 405 A N 1.143 123.923 122.820 -0.067 0.000 1.858 405 A HA -0.011 4.310 4.320 0.001 0.000 0.216 405 A C 2.305 179.958 177.584 0.115 0.000 1.190 405 A CA 1.959 53.964 52.037 -0.054 0.000 0.617 405 A CB -0.395 18.583 19.000 -0.037 0.000 0.827 405 A HN 0.345 nan 8.150 nan 0.000 0.443 406 K N -1.312 119.208 120.400 0.200 0.000 2.026 406 K HA -0.179 4.142 4.320 0.001 0.000 0.208 406 K C 1.918 178.721 176.600 0.338 0.000 1.048 406 K CA 1.774 58.293 56.287 0.386 0.000 0.929 406 K CB -0.359 32.401 32.500 0.434 0.000 0.713 406 K HN 0.593 nan 8.250 nan 0.000 0.439 407 H N -0.265 118.762 119.070 -0.071 0.000 2.546 407 H HA 0.083 4.639 4.556 0.001 0.000 0.277 407 H C 1.582 176.803 175.328 -0.177 0.000 1.004 407 H CA 0.851 56.740 56.048 -0.265 0.000 1.231 407 H CB 0.044 29.526 29.762 -0.466 0.000 1.382 407 H HN 0.261 nan 8.280 nan 0.000 0.580 408 A N -0.547 122.255 122.820 -0.030 0.000 2.123 408 A HA -0.085 4.236 4.320 0.001 0.000 0.214 408 A C 1.792 179.451 177.584 0.125 0.000 1.152 408 A CA 0.567 52.507 52.037 -0.161 0.000 0.728 408 A CB -0.450 18.177 19.000 -0.622 0.000 0.814 408 A HN 0.539 nan 8.150 nan 0.000 0.464 409 W N 0.742 122.067 121.300 0.042 0.000 2.588 409 W HA 0.113 4.773 4.660 0.001 0.000 0.277 409 W C 2.001 178.478 176.519 -0.070 0.000 1.221 409 W CA 0.741 58.128 57.345 0.070 0.000 1.355 409 W CB -0.386 29.118 29.460 0.074 0.000 1.083 409 W HN 0.302 nan 8.180 nan 0.000 0.581 410 R N 0.564 120.975 120.500 -0.148 0.000 2.120 410 R HA -0.139 4.201 4.340 0.001 0.000 0.234 410 R C 1.116 177.204 176.300 -0.353 0.000 1.123 410 R CA 1.694 57.450 56.100 -0.573 0.000 0.975 410 R CB -0.368 29.196 30.300 -1.227 0.000 0.866 410 R HN 0.027 nan 8.270 nan 0.000 0.446 411 N N 0.201 118.774 118.700 -0.211 0.000 2.336 411 N HA 0.051 4.792 4.740 0.001 0.000 0.189 411 N C -0.534 174.922 175.510 -0.090 0.000 1.113 411 N CA 0.455 53.409 53.050 -0.160 0.000 0.858 411 N CB 0.842 39.253 38.487 -0.126 0.000 0.970 411 N HN 0.133 nan 8.380 nan 0.000 0.471 412 A N 1.088 123.905 122.820 -0.005 0.000 2.545 412 A HA 0.180 4.500 4.320 0.001 0.000 0.297 412 A C 1.472 179.032 177.584 -0.039 0.000 1.340 412 A CA -0.181 51.859 52.037 0.004 0.000 1.016 412 A CB -0.174 18.880 19.000 0.089 0.000 1.122 412 A HN 0.283 nan 8.150 nan 0.000 0.537 413 S N 2.951 118.590 115.700 -0.102 0.000 2.419 413 S HA -0.168 4.303 4.470 0.001 0.000 0.233 413 S C 1.421 175.963 174.600 -0.097 0.000 1.016 413 S CA 1.103 59.243 58.200 -0.099 0.000 0.974 413 S CB -0.224 62.893 63.200 -0.139 0.000 0.786 413 S HN 0.756 nan 8.310 nan 0.000 0.492 414 R N -0.196 120.211 120.500 -0.156 0.000 2.320 414 R HA 0.278 4.619 4.340 0.001 0.000 0.211 414 R C -0.064 176.228 176.300 -0.013 0.000 0.931 414 R CA -0.063 55.958 56.100 -0.131 0.000 1.071 414 R CB -0.345 29.657 30.300 -0.495 0.000 1.025 414 R HN 0.403 nan 8.270 nan 0.000 0.495 415 C N 0.250 119.527 119.300 -0.038 0.000 2.281 415 C HA 0.268 4.728 4.460 0.001 0.000 0.325 415 C C 1.790 176.725 174.990 -0.092 0.000 1.282 415 C CA -0.716 58.307 59.018 0.009 0.000 1.640 415 C CB 0.904 28.714 27.740 0.116 0.000 2.288 415 C HN 0.291 nan 8.230 nan 0.000 0.507 416 V N 5.776 125.609 119.914 -0.136 0.000 3.052 416 V HA 0.200 4.321 4.120 0.001 0.000 0.254 416 V C 1.910 178.047 176.094 0.071 0.000 1.100 416 V CA 2.206 64.347 62.300 -0.264 0.000 1.112 416 V CB -0.060 31.635 31.823 -0.213 0.000 0.738 416 V HN 1.078 nan 8.190 nan 0.000 0.469 417 G N -0.609 108.243 108.800 0.087 0.000 3.026 417 G HA2 -0.055 3.906 3.960 0.001 0.000 0.208 417 G HA3 -0.055 3.906 3.960 0.001 0.000 0.208 417 G C 1.314 176.256 174.900 0.070 0.000 1.169 417 G CA -0.238 44.921 45.100 0.097 0.000 0.788 417 G HN 0.447 nan 8.290 nan 0.000 0.533 418 R N -0.176 120.332 120.500 0.013 0.000 2.397 418 R HA 0.049 4.390 4.340 0.001 0.000 0.213 418 R C 1.959 177.813 176.300 -0.744 0.000 1.102 418 R CA 0.201 56.059 56.100 -0.404 0.000 1.040 418 R CB -0.231 29.906 30.300 -0.271 0.000 0.844 418 R HN 0.474 nan 8.270 nan 0.000 0.478 419 I N 0.646 120.913 120.570 -0.506 0.000 2.614 419 I HA -0.228 3.942 4.170 0.001 0.000 0.258 419 I C 1.364 177.291 176.117 -0.316 0.000 1.189 419 I CA 1.175 62.236 61.300 -0.397 0.000 1.462 419 I CB 0.168 38.113 38.000 -0.092 0.000 1.092 419 I HN 0.204 nan 8.210 nan 0.000 0.442 420 Q N 0.663 120.245 119.800 -0.365 0.000 2.424 420 Q HA -0.132 4.208 4.340 0.001 0.000 0.204 420 Q C 1.736 177.231 176.000 -0.842 0.000 0.933 420 Q CA 0.744 56.323 55.803 -0.372 0.000 0.929 420 Q CB -0.332 28.371 28.738 -0.059 0.000 1.037 420 Q HN 0.786 nan 8.270 nan 0.000 0.511 421 W N 1.720 122.141 121.300 -1.466 0.000 2.255 421 W HA -0.351 4.309 4.660 0.001 0.000 0.318 421 W C 1.500 177.637 176.519 -0.637 0.000 1.277 421 W CA 1.843 58.173 57.345 -1.690 0.000 1.286 421 W CB -1.461 27.278 29.460 -1.202 0.000 1.132 421 W HN 0.211 nan 8.180 nan 0.000 0.504 422 S N 0.757 115.527 115.700 -1.549 0.000 2.406 422 S HA -0.092 4.379 4.470 0.001 0.000 0.228 422 S C 1.221 175.514 174.600 -0.512 0.000 1.020 422 S CA 0.952 58.367 58.200 -1.308 0.000 0.965 422 S CB -0.502 61.813 63.200 -1.475 0.000 0.798 422 S HN 0.323 nan 8.310 nan 0.000 0.488 423 K N 1.177 121.363 120.400 -0.357 0.000 2.150 423 K HA 0.390 4.710 4.320 0.001 0.000 0.261 423 K C -1.424 175.228 176.600 0.085 0.000 1.127 423 K CA -0.416 55.811 56.287 -0.100 0.000 0.989 423 K CB -0.108 32.369 32.500 -0.039 0.000 1.475 423 K HN 0.296 nan 8.250 nan 0.000 0.391 424 L N 2.969 124.234 121.223 0.071 0.000 2.470 424 L HA 0.281 4.622 4.340 0.001 0.000 0.268 424 L C -1.381 175.471 176.870 -0.030 0.000 0.964 424 L CA -0.491 54.424 54.840 0.124 0.000 0.839 424 L CB 1.963 44.184 42.059 0.269 0.000 1.276 424 L HN 0.359 nan 8.230 nan 0.000 0.403 425 Q N 3.352 123.080 119.800 -0.120 0.000 2.337 425 Q HA 0.511 4.852 4.340 0.001 0.000 0.255 425 Q C -1.574 174.066 176.000 -0.600 0.000 0.997 425 Q CA -0.106 55.458 55.803 -0.399 0.000 0.925 425 Q CB 1.013 29.438 28.738 -0.522 0.000 1.212 425 Q HN 0.511 nan 8.270 nan 0.000 0.436 426 V N 6.424 126.041 119.914 -0.495 0.000 2.383 426 V HA 0.400 4.520 4.120 0.001 0.000 0.275 426 V C -0.403 175.416 176.094 -0.458 0.000 1.036 426 V CA -0.394 61.666 62.300 -0.400 0.000 0.889 426 V CB 0.485 32.188 31.823 -0.200 0.000 0.985 426 V HN 0.683 nan 8.190 nan 0.000 0.459 427 F N 2.937 122.773 119.950 -0.189 0.000 2.361 427 F HA 0.324 4.851 4.527 0.001 0.000 0.364 427 F C 0.510 176.158 175.800 -0.254 0.000 1.120 427 F CA -0.652 57.232 58.000 -0.195 0.000 1.102 427 F CB 1.186 40.084 39.000 -0.170 0.000 1.183 427 F HN 0.439 nan 8.300 nan 0.000 0.476 428 D N 3.898 124.281 120.400 -0.028 0.000 2.352 428 D HA 0.267 4.908 4.640 0.001 0.000 0.245 428 D C -0.028 176.123 176.300 -0.249 0.000 1.224 428 D CA 0.091 54.000 54.000 -0.151 0.000 0.879 428 D CB 1.317 42.067 40.800 -0.082 0.000 1.057 428 D HN 0.591 nan 8.370 nan 0.000 0.491 429 A N 4.802 127.302 122.820 -0.533 0.000 2.793 429 A HA 0.192 4.512 4.320 0.001 0.000 0.301 429 A C 1.434 178.763 177.584 -0.424 0.000 1.172 429 A CA -0.467 51.035 52.037 -0.892 0.000 0.973 429 A CB 0.006 17.933 19.000 -1.788 0.000 1.164 429 A HN 0.564 nan 8.150 nan 0.000 0.542 430 R N 0.191 120.558 120.500 -0.221 0.000 2.307 430 R HA -0.052 4.289 4.340 0.001 0.000 0.199 430 R C 0.683 176.948 176.300 -0.058 0.000 1.000 430 R CA 1.274 57.301 56.100 -0.122 0.000 1.023 430 R CB 0.069 30.337 30.300 -0.053 0.000 0.908 430 R HN 0.750 nan 8.270 nan 0.000 0.473 431 D N -1.201 119.202 120.400 0.006 0.000 2.354 431 D HA -0.053 4.587 4.640 0.001 0.000 0.209 431 D C 0.468 176.863 176.300 0.159 0.000 1.015 431 D CA -0.267 53.785 54.000 0.088 0.000 0.867 431 D CB -0.122 40.752 40.800 0.123 0.000 0.933 431 D HN -0.029 nan 8.370 nan 0.000 0.520 432 C N 1.202 120.613 119.300 0.184 0.000 2.657 432 C HA 0.378 4.839 4.460 0.001 0.000 0.420 432 C C 1.817 177.022 174.990 0.358 0.000 1.323 432 C CA 1.015 60.236 59.018 0.338 0.000 1.894 432 C CB -0.037 27.961 27.740 0.430 0.000 2.681 432 C HN 0.616 nan 8.230 nan 0.000 0.613 433 T N 0.185 114.981 114.554 0.405 0.000 2.993 433 T HA 0.265 4.616 4.350 0.001 0.000 0.260 433 T C 0.243 175.112 174.700 0.281 0.000 0.939 433 T CA 0.601 62.946 62.100 0.408 0.000 0.886 433 T CB -0.144 68.876 68.868 0.252 0.000 1.209 433 T HN 0.949 nan 8.240 nan 0.000 0.518 434 T N -1.637 113.068 114.554 0.251 0.000 2.883 434 T HA 0.797 5.148 4.350 0.001 0.000 0.296 434 T C 1.432 176.218 174.700 0.143 0.000 1.117 434 T CA -0.162 62.032 62.100 0.157 0.000 1.006 434 T CB 1.502 70.479 68.868 0.181 0.000 1.191 434 T HN 0.122 nan 8.240 nan 0.000 0.508 435 A N 0.404 123.285 122.820 0.102 0.000 1.940 435 A HA -0.098 4.223 4.320 0.001 0.000 0.219 435 A C 1.962 179.498 177.584 -0.080 0.000 1.176 435 A CA 2.079 54.151 52.037 0.059 0.000 0.631 435 A CB -1.511 17.600 19.000 0.184 0.000 0.814 435 A HN 1.014 nan 8.150 nan 0.000 0.446 436 H N -0.937 118.161 119.070 0.046 0.000 2.421 436 H HA 0.005 4.561 4.556 0.001 0.000 0.298 436 H C 2.339 177.651 175.328 -0.026 0.000 1.087 436 H CA 1.481 57.488 56.048 -0.068 0.000 1.330 436 H CB -0.207 29.627 29.762 0.120 0.000 1.388 436 H HN 0.494 nan 8.280 nan 0.000 0.526 437 G N -0.278 108.636 108.800 0.190 0.000 2.403 437 G HA2 -0.204 3.757 3.960 0.001 0.000 0.216 437 G HA3 -0.204 3.757 3.960 0.001 0.000 0.216 437 G C 1.602 176.691 174.900 0.314 0.000 1.154 437 G CA 0.646 45.879 45.100 0.222 0.000 0.784 437 G HN 0.277 nan 8.290 nan 0.000 0.538 438 M N -0.480 119.249 119.600 0.214 0.000 2.132 438 M HA 0.072 4.552 4.480 0.001 0.000 0.263 438 M C 2.308 178.695 176.300 0.145 0.000 1.065 438 M CA 1.179 56.574 55.300 0.158 0.000 1.122 438 M CB -0.363 32.113 32.600 -0.207 0.000 1.365 438 M HN 0.295 nan 8.290 nan 0.000 0.411 439 F N 1.414 121.200 119.950 -0.274 0.000 2.134 439 F HA -0.267 4.261 4.527 0.001 0.000 0.299 439 F C 2.042 177.747 175.800 -0.158 0.000 1.097 439 F CA 2.041 59.815 58.000 -0.377 0.000 1.264 439 F CB -0.317 38.079 39.000 -1.006 0.000 1.001 439 F HN 0.181 nan 8.300 nan 0.000 0.479 440 N N -0.665 117.954 118.700 -0.135 0.000 2.120 440 N HA -0.249 4.492 4.740 0.001 0.000 0.188 440 N C 1.817 177.193 175.510 -0.223 0.000 1.024 440 N CA 1.901 54.812 53.050 -0.231 0.000 0.852 440 N CB -0.647 37.763 38.487 -0.129 0.000 1.003 440 N HN 0.507 nan 8.380 nan 0.000 0.424 441 Y N -0.054 120.200 120.300 -0.077 0.000 2.242 441 Y HA -0.005 4.546 4.550 0.001 0.000 0.291 441 Y C 2.054 177.900 175.900 -0.089 0.000 1.137 441 Y CA 0.791 58.856 58.100 -0.058 0.000 1.181 441 Y CB 0.006 38.544 38.460 0.130 0.000 0.989 441 Y HN 0.101 nan 8.280 nan 0.000 0.527 442 I N -1.420 119.214 120.570 0.106 0.000 2.202 442 I HA -0.349 3.821 4.170 0.001 0.000 0.242 442 I C 2.385 178.416 176.117 -0.144 0.000 1.091 442 I CA 0.903 62.197 61.300 -0.010 0.000 1.368 442 I CB -0.444 37.532 38.000 -0.040 0.000 1.058 442 I HN 0.280 nan 8.210 nan 0.000 0.410 443 C N 0.918 120.002 119.300 -0.360 0.000 2.398 443 C HA -0.196 4.264 4.460 0.001 0.000 0.276 443 C C 2.588 177.462 174.990 -0.193 0.000 1.222 443 C CA 1.193 59.988 59.018 -0.372 0.000 1.746 443 C CB -1.462 25.915 27.740 -0.605 0.000 2.039 443 C HN 0.555 nan 8.230 nan 0.000 0.470 444 N N -0.601 117.981 118.700 -0.198 0.000 2.289 444 N HA -0.117 4.623 4.740 0.001 0.000 0.184 444 N C 1.381 176.797 175.510 -0.157 0.000 1.016 444 N CA 1.229 54.161 53.050 -0.197 0.000 0.872 444 N CB -0.709 37.594 38.487 -0.306 0.000 0.973 444 N HN 0.786 nan 8.380 nan 0.000 0.433 445 H N 0.084 119.031 119.070 -0.204 0.000 2.307 445 H HA 0.061 4.617 4.556 0.001 0.000 0.303 445 H C 1.816 177.196 175.328 0.087 0.000 1.073 445 H CA 1.202 57.234 56.048 -0.027 0.000 1.338 445 H CB 0.070 29.857 29.762 0.041 0.000 1.389 445 H HN -0.137 nan 8.280 nan 0.000 0.503 446 V N 1.329 121.394 119.914 0.251 0.000 2.317 446 V HA -0.304 3.817 4.120 0.001 0.000 0.251 446 V C 2.486 178.652 176.094 0.119 0.000 1.065 446 V CA 2.322 64.714 62.300 0.154 0.000 1.049 446 V CB -0.529 31.296 31.823 0.003 0.000 0.651 446 V HN 0.431 nan 8.190 nan 0.000 0.450 447 K N -1.186 119.259 120.400 0.075 0.000 2.031 447 K HA -0.200 4.120 4.320 0.001 0.000 0.205 447 K C 2.278 178.929 176.600 0.085 0.000 1.049 447 K CA 1.743 58.061 56.287 0.052 0.000 0.939 447 K CB -0.297 32.212 32.500 0.016 0.000 0.717 447 K HN 0.527 nan 8.250 nan 0.000 0.438 448 Y N 1.089 121.413 120.300 0.040 0.000 2.097 448 Y HA -0.257 4.293 4.550 0.001 0.000 0.282 448 Y C 1.994 177.954 175.900 0.099 0.000 1.152 448 Y CA 1.816 59.971 58.100 0.092 0.000 1.136 448 Y CB -0.585 38.006 38.460 0.219 0.000 0.975 448 Y HN 0.139 nan 8.280 nan 0.000 0.498 449 A N -0.486 122.411 122.820 0.128 0.000 1.883 449 A HA -0.214 4.106 4.320 0.001 0.000 0.217 449 A C 2.244 179.840 177.584 0.020 0.000 1.186 449 A CA 2.523 54.604 52.037 0.074 0.000 0.624 449 A CB -1.461 17.686 19.000 0.245 0.000 0.822 449 A HN 0.540 nan 8.150 nan 0.000 0.444 450 T N -0.451 114.132 114.554 0.047 0.000 2.684 450 T HA -0.176 4.174 4.350 0.001 0.000 0.267 450 T C 1.071 175.756 174.700 -0.026 0.000 1.036 450 T CA 1.272 63.389 62.100 0.030 0.000 1.148 450 T CB -0.599 68.288 68.868 0.032 0.000 0.863 450 T HN 0.752 nan 8.240 nan 0.000 0.436 451 N N 0.679 119.336 118.700 -0.072 0.000 2.716 451 N HA -0.274 4.466 4.740 0.001 0.000 0.250 451 N C -0.314 175.158 175.510 -0.065 0.000 1.033 451 N CA 0.468 53.456 53.050 -0.102 0.000 0.727 451 N CB -0.588 37.797 38.487 -0.169 0.000 0.950 451 N HN 0.398 nan 8.380 nan 0.000 0.541 452 K N -2.601 117.774 120.400 -0.042 0.000 3.274 452 K HA -0.247 4.074 4.320 0.001 0.000 0.300 452 K C 0.840 177.414 176.600 -0.044 0.000 1.230 452 K CA 1.150 57.414 56.287 -0.038 0.000 0.884 452 K CB -1.740 30.737 32.500 -0.039 0.000 1.242 452 K HN 0.916 nan 8.250 nan 0.000 0.467 453 G N 0.452 109.229 108.800 -0.038 0.000 2.201 453 G HA2 -0.261 3.700 3.960 0.001 0.000 0.212 453 G HA3 -0.261 3.700 3.960 0.001 0.000 0.212 453 G C -0.130 174.740 174.900 -0.050 0.000 0.994 453 G CA 0.124 45.200 45.100 -0.040 0.000 0.644 453 G HN 0.305 nan 8.290 nan 0.000 0.508 454 N N 1.204 119.863 118.700 -0.067 0.000 3.301 454 N HA 0.477 5.218 4.740 0.001 0.000 0.289 454 N C 0.657 176.110 175.510 -0.095 0.000 1.343 454 N CA -0.583 52.405 53.050 -0.103 0.000 1.136 454 N CB -0.285 38.142 38.487 -0.101 0.000 1.402 454 N HN 0.191 nan 8.380 nan 0.000 0.516 455 L N 1.146 122.342 121.223 -0.045 0.000 2.613 455 L HA -0.068 4.273 4.340 0.001 0.000 0.304 455 L C 0.829 177.768 176.870 0.114 0.000 1.266 455 L CA 1.272 56.155 54.840 0.071 0.000 0.868 455 L CB 0.033 42.240 42.059 0.248 0.000 1.111 455 L HN 0.392 nan 8.230 nan 0.000 0.515 456 R N 0.613 121.204 120.500 0.151 0.000 2.621 456 R HA 0.460 4.800 4.340 0.001 0.000 0.284 456 R C -0.962 175.465 176.300 0.212 0.000 0.998 456 R CA -0.713 55.485 56.100 0.163 0.000 0.895 456 R CB 1.842 32.058 30.300 -0.139 0.000 1.195 456 R HN 0.619 nan 8.270 nan 0.000 0.450 457 S N 1.384 117.220 115.700 0.227 0.000 2.499 457 S HA 0.627 5.097 4.470 0.001 0.000 0.275 457 S C -0.370 174.254 174.600 0.040 0.000 1.257 457 S CA -0.585 57.657 58.200 0.070 0.000 1.050 457 S CB 1.473 64.679 63.200 0.010 0.000 0.937 457 S HN 0.692 nan 8.310 nan 0.000 0.490 458 A N 2.761 125.563 122.820 -0.029 0.000 2.594 458 A HA 0.878 5.199 4.320 0.001 0.000 0.291 458 A C -1.259 176.305 177.584 -0.034 0.000 1.105 458 A CA -0.759 51.172 52.037 -0.176 0.000 0.694 458 A CB 1.304 20.104 19.000 -0.333 0.000 1.291 458 A HN 0.851 nan 8.150 nan 0.000 0.410 459 I N 0.293 120.833 120.570 -0.050 0.000 2.692 459 I HA 0.541 4.711 4.170 0.001 0.000 0.293 459 I C -1.238 174.972 176.117 0.156 0.000 1.200 459 I CA -0.113 61.302 61.300 0.192 0.000 1.036 459 I CB 2.363 40.437 38.000 0.123 0.000 1.258 459 I HN 0.587 nan 8.210 nan 0.000 0.421 460 T N 8.051 122.736 114.554 0.218 0.000 2.756 460 T HA 0.543 4.894 4.350 0.001 0.000 0.290 460 T C -0.229 174.256 174.700 -0.357 0.000 0.985 460 T CA -0.190 61.878 62.100 -0.054 0.000 0.955 460 T CB 0.519 69.325 68.868 -0.103 0.000 0.930 460 T HN 0.291 nan 8.240 nan 0.000 0.451 461 I N 4.345 124.650 120.570 -0.440 0.000 2.307 461 I HA 0.389 4.559 4.170 0.001 0.000 0.289 461 I C -0.230 175.573 176.117 -0.523 0.000 1.021 461 I CA -0.647 60.396 61.300 -0.429 0.000 1.224 461 I CB 0.544 38.253 38.000 -0.485 0.000 1.376 461 I HN 0.453 nan 8.210 nan 0.000 0.470 462 F N 6.706 126.589 119.950 -0.111 0.000 2.348 462 F HA 0.427 4.954 4.527 0.001 0.000 0.308 462 F C -1.856 173.834 175.800 -0.183 0.000 1.175 462 F CA -2.244 55.621 58.000 -0.225 0.000 1.080 462 F CB -0.316 38.574 39.000 -0.183 0.000 1.341 462 F HN 0.226 nan 8.300 nan 0.000 0.518 463 P HA 0.001 nan 4.420 nan 0.000 0.264 463 P C -0.958 176.276 177.300 -0.110 0.000 1.183 463 P CA -0.100 62.821 63.100 -0.299 0.000 0.763 463 P CB 0.207 31.478 31.700 -0.716 0.000 0.807 464 Q N 2.914 122.612 119.800 -0.171 0.000 2.584 464 Q HA 0.129 4.470 4.340 0.001 0.000 0.218 464 Q C 0.151 176.037 176.000 -0.191 0.000 1.079 464 Q CA -0.495 55.029 55.803 -0.466 0.000 1.008 464 Q CB 0.529 28.770 28.738 -0.830 0.000 1.267 464 Q HN 0.290 nan 8.270 nan 0.000 0.586 465 R N -0.126 120.255 120.500 -0.198 0.000 2.539 465 R HA 0.122 4.462 4.340 0.001 0.000 0.275 465 R C 0.294 176.568 176.300 -0.044 0.000 1.077 465 R CA 0.784 56.854 56.100 -0.051 0.000 1.097 465 R CB 0.834 31.101 30.300 -0.056 0.000 1.018 465 R HN 0.950 nan 8.270 nan 0.000 0.483 466 T N -0.988 113.588 114.554 0.035 0.000 3.463 466 T HA 0.285 4.636 4.350 0.001 0.000 0.203 466 T C 0.506 175.240 174.700 0.056 0.000 0.955 466 T CA 0.481 62.603 62.100 0.038 0.000 1.230 466 T CB 0.099 69.006 68.868 0.065 0.000 1.392 466 T HN 0.587 nan 8.240 nan 0.000 0.361 467 D N -0.638 119.823 120.400 0.102 0.000 1.562 467 D HA 0.118 4.759 4.640 0.001 0.000 0.519 467 D C 1.638 178.049 176.300 0.186 0.000 1.238 467 D CA 0.860 54.928 54.000 0.114 0.000 0.809 467 D CB -0.481 40.361 40.800 0.070 0.000 3.046 467 D HN 0.489 nan 8.370 nan 0.000 0.227 468 G N 1.009 109.868 108.800 0.098 0.000 2.673 468 G HA2 0.001 3.961 3.960 0.001 0.000 0.208 468 G HA3 0.001 3.961 3.960 0.001 0.000 0.208 468 G C 1.432 176.202 174.900 -0.216 0.000 1.128 468 G CA 0.270 45.351 45.100 -0.031 0.000 0.805 468 G HN 0.059 nan 8.290 nan 0.000 0.526 469 K N 0.176 120.555 120.400 -0.034 0.000 2.009 469 K HA -0.062 4.258 4.320 0.001 0.000 0.210 469 K C 0.295 176.922 176.600 0.046 0.000 1.049 469 K CA 1.123 57.407 56.287 -0.006 0.000 0.929 469 K CB -0.497 32.064 32.500 0.101 0.000 0.714 469 K HN 0.578 nan 8.250 nan 0.000 0.440 470 H N -0.662 118.473 119.070 0.109 0.000 3.024 470 H HA -0.081 4.476 4.556 0.001 0.000 0.237 470 H C -1.099 174.313 175.328 0.140 0.000 1.110 470 H CA -0.390 55.724 56.048 0.111 0.000 1.821 470 H CB -0.247 29.583 29.762 0.113 0.000 1.673 470 H HN 0.222 nan 8.280 nan 0.000 0.398 471 D N 1.367 121.911 120.400 0.239 0.000 2.419 471 D HA 0.088 4.729 4.640 0.001 0.000 0.236 471 D C -0.052 176.363 176.300 0.191 0.000 1.165 471 D CA 0.770 54.901 54.000 0.218 0.000 0.882 471 D CB 0.326 41.193 40.800 0.111 0.000 1.201 471 D HN 0.111 nan 8.370 nan 0.000 0.443 472 F N 1.230 121.225 119.950 0.074 0.000 2.404 472 F HA 0.336 4.864 4.527 0.001 0.000 0.354 472 F C 0.803 176.627 175.800 0.039 0.000 1.122 472 F CA -0.441 57.578 58.000 0.032 0.000 1.080 472 F CB 0.918 39.925 39.000 0.012 0.000 1.131 472 F HN -0.168 nan 8.300 nan 0.000 0.471 473 R N 2.190 122.782 120.500 0.154 0.000 2.744 473 R HA 0.586 4.926 4.340 0.001 0.000 0.279 473 R C -1.560 174.879 176.300 0.232 0.000 0.977 473 R CA -1.008 55.195 56.100 0.172 0.000 0.906 473 R CB 2.188 32.563 30.300 0.124 0.000 1.197 473 R HN 0.319 nan 8.270 nan 0.000 0.463 474 V N 3.166 123.192 119.914 0.185 0.000 2.294 474 V HA 0.132 4.253 4.120 0.001 0.000 0.272 474 V C 0.327 176.579 176.094 0.264 0.000 1.027 474 V CA -0.594 61.821 62.300 0.191 0.000 0.823 474 V CB 0.874 32.747 31.823 0.084 0.000 1.030 474 V HN 0.731 nan 8.190 nan 0.000 0.457 475 W N 2.395 123.736 121.300 0.069 0.000 2.632 475 W HA -0.026 4.635 4.660 0.001 0.000 0.248 475 W C 0.761 177.317 176.519 0.061 0.000 1.259 475 W CA -0.211 57.269 57.345 0.224 0.000 1.288 475 W CB -0.889 28.835 29.460 0.440 0.000 1.136 475 W HN 0.480 nan 8.180 nan 0.000 0.640 476 N N -0.529 118.175 118.700 0.007 0.000 2.455 476 N HA 0.076 4.816 4.740 0.001 0.000 0.280 476 N C 1.234 176.553 175.510 -0.318 0.000 1.055 476 N CA 0.392 53.157 53.050 -0.475 0.000 0.961 476 N CB 1.266 39.580 38.487 -0.288 0.000 1.121 476 N HN -0.164 nan 8.380 nan 0.000 0.476 477 S N 1.817 117.294 115.700 -0.371 0.000 2.368 477 S HA -0.121 4.349 4.470 0.001 0.000 0.225 477 S C 0.336 174.811 174.600 -0.207 0.000 1.030 477 S CA 0.940 59.016 58.200 -0.208 0.000 0.999 477 S CB -0.052 63.064 63.200 -0.139 0.000 0.844 477 S HN 0.638 nan 8.310 nan 0.000 0.459 478 Q N -0.461 119.193 119.800 -0.243 0.000 2.331 478 Q HA 0.445 4.785 4.340 0.001 0.000 0.272 478 Q C -0.184 175.639 176.000 -0.295 0.000 1.062 478 Q CA -0.764 54.887 55.803 -0.253 0.000 0.806 478 Q CB 1.828 30.452 28.738 -0.190 0.000 1.312 478 Q HN 0.010 nan 8.270 nan 0.000 0.431 479 L N 1.394 122.442 121.223 -0.293 0.000 2.021 479 L HA -0.114 4.226 4.340 0.001 0.000 0.215 479 L C 0.698 177.377 176.870 -0.319 0.000 1.074 479 L CA 1.955 56.635 54.840 -0.266 0.000 0.760 479 L CB -0.213 41.685 42.059 -0.269 0.000 0.889 479 L HN 0.563 nan 8.230 nan 0.000 0.433 480 I N -0.752 119.536 120.570 -0.470 0.000 2.389 480 I HA 0.375 4.546 4.170 0.001 0.000 0.288 480 I C -0.113 175.358 176.117 -1.077 0.000 0.999 480 I CA -0.436 60.441 61.300 -0.706 0.000 1.129 480 I CB 1.387 38.915 38.000 -0.786 0.000 1.288 480 I HN 0.080 nan 8.210 nan 0.000 0.444 481 R N 4.065 124.071 120.500 -0.824 0.000 2.690 481 R HA 0.452 4.792 4.340 0.001 0.000 0.269 481 R C -1.750 174.293 176.300 -0.429 0.000 1.037 481 R CA -0.999 54.737 56.100 -0.606 0.000 0.877 481 R CB 2.260 32.410 30.300 -0.249 0.000 1.255 481 R HN 0.351 nan 8.270 nan 0.000 0.467 482 Y N 0.238 120.550 120.300 0.020 0.000 2.335 482 Y HA 0.553 5.104 4.550 0.001 0.000 0.323 482 Y C 0.833 176.771 175.900 0.064 0.000 1.224 482 Y CA -0.536 57.624 58.100 0.100 0.000 1.241 482 Y CB 1.148 39.755 38.460 0.244 0.000 1.235 482 Y HN 0.627 nan 8.280 nan 0.000 0.492 483 A N 0.914 123.856 122.820 0.203 0.000 2.332 483 A HA 0.674 4.994 4.320 0.001 0.000 0.258 483 A C 0.296 177.757 177.584 -0.204 0.000 1.087 483 A CA 0.130 52.136 52.037 -0.051 0.000 0.802 483 A CB -0.108 18.839 19.000 -0.088 0.000 1.042 483 A HN 0.895 nan 8.150 nan 0.000 0.489 484 G N -0.330 108.232 108.800 -0.397 0.000 2.590 484 G HA2 0.583 4.543 3.960 0.001 0.000 0.310 484 G HA3 0.583 4.543 3.960 0.001 0.000 0.310 484 G C -1.450 173.179 174.900 -0.452 0.000 1.347 484 G CA -0.270 44.636 45.100 -0.323 0.000 0.963 484 G HN 0.525 nan 8.290 nan 0.000 0.494 485 Y N 0.733 121.049 120.300 0.027 0.000 2.361 485 Y HA 0.454 5.004 4.550 0.001 0.000 0.337 485 Y C 0.369 176.267 175.900 -0.004 0.000 0.965 485 Y CA -1.143 56.969 58.100 0.019 0.000 1.091 485 Y CB 2.528 41.001 38.460 0.021 0.000 1.182 485 Y HN 0.489 nan 8.280 nan 0.000 0.450 486 K N 3.589 124.066 120.400 0.127 0.000 2.263 486 K HA 0.275 4.596 4.320 0.001 0.000 0.282 486 K C -0.606 176.033 176.600 0.065 0.000 1.089 486 K CA -0.350 55.978 56.287 0.068 0.000 0.907 486 K CB 0.541 33.063 32.500 0.037 0.000 1.148 486 K HN 0.728 nan 8.250 nan 0.000 0.470 487 Q N 4.501 124.332 119.800 0.050 0.000 2.394 487 Q HA 0.059 4.400 4.340 0.001 0.000 0.248 487 Q C -1.419 174.590 176.000 0.015 0.000 0.992 487 Q CA -1.374 54.445 55.803 0.027 0.000 0.888 487 Q CB 0.899 29.645 28.738 0.013 0.000 1.257 487 Q HN 0.504 nan 8.270 nan 0.000 0.462 488 P HA -0.190 nan 4.420 nan 0.000 0.218 488 P C -0.423 176.878 177.300 0.002 0.000 1.148 488 P CA 1.343 64.445 63.100 0.003 0.000 0.822 488 P CB 0.111 31.809 31.700 -0.003 0.000 0.784 489 D N -0.687 119.713 120.400 0.001 0.000 3.085 489 D HA 0.163 4.803 4.640 0.001 0.000 0.243 489 D C 1.387 177.689 176.300 0.003 0.000 1.232 489 D CA 0.144 54.144 54.000 0.000 0.000 0.913 489 D CB -0.655 40.144 40.800 -0.003 0.000 1.108 489 D HN 0.217 nan 8.370 nan 0.000 0.468 490 G N 1.617 110.420 108.800 0.005 0.000 2.934 490 G HA2 -0.413 3.547 3.960 0.001 0.000 0.231 490 G HA3 -0.413 3.547 3.960 0.001 0.000 0.231 490 G C 0.749 175.655 174.900 0.009 0.000 1.235 490 G CA 0.793 45.897 45.100 0.007 0.000 0.812 490 G HN 0.651 nan 8.290 nan 0.000 0.521 491 S N 0.145 115.850 115.700 0.008 0.000 2.580 491 S HA 0.480 4.951 4.470 0.001 0.000 0.261 491 S C 0.067 174.676 174.600 0.014 0.000 1.366 491 S CA 0.769 58.974 58.200 0.008 0.000 0.996 491 S CB 1.340 64.543 63.200 0.005 0.000 0.902 491 S HN 0.815 nan 8.310 nan 0.000 0.566 492 T N 1.867 116.424 114.554 0.006 0.000 2.840 492 T HA 0.455 4.806 4.350 0.001 0.000 0.287 492 T C -0.919 173.783 174.700 0.005 0.000 0.991 492 T CA -0.551 61.555 62.100 0.010 0.000 0.964 492 T CB 1.046 69.902 68.868 -0.020 0.000 0.954 492 T HN 0.453 nan 8.240 nan 0.000 0.438 493 L N 3.781 125.047 121.223 0.071 0.000 2.307 493 L HA 0.772 5.113 4.340 0.001 0.000 0.282 493 L C 0.763 177.687 176.870 0.091 0.000 1.051 493 L CA 0.980 55.872 54.840 0.087 0.000 0.804 493 L CB 0.026 42.169 42.059 0.139 0.000 1.197 493 L HN 0.996 nan 8.230 nan 0.000 0.431 494 G N 4.103 112.868 108.800 -0.058 0.000 2.750 494 G HA2 -0.234 3.726 3.960 0.001 0.000 0.228 494 G HA3 -0.234 3.726 3.960 0.001 0.000 0.228 494 G C -0.485 174.188 174.900 -0.377 0.000 1.367 494 G CA -0.186 44.829 45.100 -0.141 0.000 0.871 494 G HN 0.856 nan 8.290 nan 0.000 0.560 495 D N 0.846 121.097 120.400 -0.249 0.000 2.451 495 D HA 0.266 4.906 4.640 0.001 0.000 0.254 495 D C -0.793 175.439 176.300 -0.113 0.000 1.204 495 D CA -0.992 52.882 54.000 -0.211 0.000 0.896 495 D CB 1.056 42.026 40.800 0.285 0.000 1.136 495 D HN 0.043 nan 8.370 nan 0.000 0.499 496 P HA 0.009 nan 4.420 nan 0.000 0.229 496 P C 0.632 177.932 177.300 0.001 0.000 1.160 496 P CA 0.535 63.601 63.100 -0.057 0.000 0.777 496 P CB 0.325 31.990 31.700 -0.057 0.000 0.814 497 A N -0.508 122.337 122.820 0.043 0.000 2.167 497 A HA -0.041 4.280 4.320 0.001 0.000 0.214 497 A C 1.493 179.122 177.584 0.075 0.000 1.151 497 A CA 1.053 53.135 52.037 0.075 0.000 0.735 497 A CB -1.083 17.988 19.000 0.120 0.000 0.802 497 A HN 0.248 nan 8.150 nan 0.000 0.467 498 N N -0.957 117.779 118.700 0.061 0.000 2.204 498 N HA 0.167 4.908 4.740 0.001 0.000 0.219 498 N C 0.806 176.325 175.510 0.015 0.000 1.151 498 N CA -0.061 53.027 53.050 0.063 0.000 0.867 498 N CB 0.861 39.392 38.487 0.074 0.000 1.043 498 N HN 0.143 nan 8.380 nan 0.000 0.516 499 V N 1.292 121.195 119.914 -0.018 0.000 2.343 499 V HA -0.282 3.839 4.120 0.001 0.000 0.247 499 V C 2.555 178.615 176.094 -0.057 0.000 1.051 499 V CA 1.831 64.098 62.300 -0.054 0.000 1.036 499 V CB -0.352 31.452 31.823 -0.031 0.000 0.654 499 V HN 0.437 nan 8.190 nan 0.000 0.451 500 Q N -0.802 118.972 119.800 -0.044 0.000 2.020 500 Q HA -0.243 4.097 4.340 0.001 0.000 0.202 500 Q C 2.216 178.087 176.000 -0.215 0.000 0.982 500 Q CA 2.210 57.942 55.803 -0.118 0.000 0.838 500 Q CB -0.263 28.420 28.738 -0.091 0.000 0.899 500 Q HN 0.571 nan 8.270 nan 0.000 0.423 501 F N 1.188 120.948 119.950 -0.316 0.000 2.095 501 F HA -0.205 4.322 4.527 0.001 0.000 0.298 501 F C 2.214 177.879 175.800 -0.225 0.000 1.104 501 F CA 2.019 59.812 58.000 -0.345 0.000 1.232 501 F CB -0.670 38.219 39.000 -0.186 0.000 0.987 501 F HN 0.054 nan 8.300 nan 0.000 0.475 502 T N 0.236 114.711 114.554 -0.132 0.000 2.737 502 T HA -0.205 4.145 4.350 0.001 0.000 0.269 502 T C 1.766 176.383 174.700 -0.138 0.000 1.040 502 T CA 1.671 63.672 62.100 -0.164 0.000 1.142 502 T CB -0.266 68.505 68.868 -0.161 0.000 0.861 502 T HN 0.261 nan 8.240 nan 0.000 0.456 503 E N 0.599 120.710 120.200 -0.149 0.000 2.150 503 E HA 0.004 4.354 4.350 0.001 0.000 0.193 503 E C 2.210 178.706 176.600 -0.173 0.000 0.985 503 E CA 0.608 56.942 56.400 -0.110 0.000 0.814 503 E CB -0.263 29.376 29.700 -0.101 0.000 0.752 503 E HN 0.556 nan 8.360 nan 0.000 0.466 504 I N 0.181 120.560 120.570 -0.319 0.000 2.202 504 I HA -0.280 3.890 4.170 0.001 0.000 0.242 504 I C 2.530 178.452 176.117 -0.324 0.000 1.091 504 I CA 0.623 61.721 61.300 -0.336 0.000 1.368 504 I CB -0.437 37.287 38.000 -0.460 0.000 1.058 504 I HN 0.102 nan 8.210 nan 0.000 0.410 505 C N 1.163 120.186 119.300 -0.461 0.000 2.393 505 C HA -0.190 4.270 4.460 0.001 0.000 0.276 505 C C 2.777 177.770 174.990 0.005 0.000 1.215 505 C CA 0.843 59.676 59.018 -0.310 0.000 1.743 505 C CB -0.873 26.605 27.740 -0.436 0.000 2.044 505 C HN 0.428 nan 8.230 nan 0.000 0.464 506 I N 0.117 120.751 120.570 0.107 0.000 2.264 506 I HA -0.281 3.890 4.170 0.001 0.000 0.248 506 I C 2.728 178.850 176.117 0.008 0.000 1.111 506 I CA 1.569 62.941 61.300 0.119 0.000 1.382 506 I CB -0.670 37.394 38.000 0.106 0.000 1.060 506 I HN 0.521 nan 8.210 nan 0.000 0.418 507 Q N 0.309 120.083 119.800 -0.043 0.000 2.297 507 Q HA -0.150 4.191 4.340 0.001 0.000 0.204 507 Q C 1.433 177.388 176.000 -0.075 0.000 0.962 507 Q CA 0.792 56.560 55.803 -0.059 0.000 0.879 507 Q CB 0.310 29.004 28.738 -0.072 0.000 0.947 507 Q HN 0.450 nan 8.270 nan 0.000 0.462 508 Q N -1.245 118.495 119.800 -0.099 0.000 2.247 508 Q HA 0.137 4.477 4.340 0.001 0.000 0.205 508 Q C 0.736 176.678 176.000 -0.096 0.000 0.896 508 Q CA 0.687 56.412 55.803 -0.131 0.000 0.950 508 Q CB 1.181 29.791 28.738 -0.213 0.000 1.054 508 Q HN 0.545 nan 8.270 nan 0.000 0.482 509 G N 0.069 108.840 108.800 -0.049 0.000 2.232 509 G HA2 -0.241 3.720 3.960 0.001 0.000 0.226 509 G HA3 -0.241 3.720 3.960 0.001 0.000 0.226 509 G C -0.259 174.651 174.900 0.017 0.000 0.996 509 G CA -0.201 44.876 45.100 -0.037 0.000 0.626 509 G HN 0.368 nan 8.290 nan 0.000 0.509 510 W N 3.488 124.709 121.300 -0.131 0.000 2.295 510 W HA 0.560 5.221 4.660 0.001 0.000 0.335 510 W C 0.465 176.949 176.519 -0.059 0.000 1.351 510 W CA -0.279 57.005 57.345 -0.101 0.000 1.273 510 W CB 0.731 30.127 29.460 -0.107 0.000 1.214 510 W HN -0.010 nan 8.180 nan 0.000 0.563 511 K N 6.149 126.166 120.400 -0.638 0.000 2.267 511 K HA 0.451 4.771 4.320 0.001 0.000 0.282 511 K C -0.777 175.118 176.600 -1.176 0.000 1.078 511 K CA -0.266 55.638 56.287 -0.638 0.000 0.903 511 K CB 0.504 32.780 32.500 -0.373 0.000 1.111 511 K HN 0.515 nan 8.250 nan 0.000 0.475 512 A N 6.332 128.567 122.820 -0.976 0.000 2.362 512 A HA 0.374 4.694 4.320 0.001 0.000 0.276 512 A C -1.682 175.599 177.584 -0.504 0.000 1.153 512 A CA -1.196 50.239 52.037 -1.004 0.000 0.813 512 A CB 0.400 19.159 19.000 -0.403 0.000 1.081 512 A HN 0.545 nan 8.150 nan 0.000 0.507 513 P HA -0.068 nan 4.420 nan 0.000 0.222 513 P C 0.547 177.736 177.300 -0.184 0.000 1.147 513 P CA 0.542 63.559 63.100 -0.138 0.000 0.790 513 P CB 0.058 31.785 31.700 0.045 0.000 0.780 514 R N -1.555 118.748 120.500 -0.329 0.000 3.423 514 R HA -0.118 4.223 4.340 0.001 0.000 0.271 514 R C 0.271 176.320 176.300 -0.419 0.000 1.093 514 R CA 0.664 56.290 56.100 -0.790 0.000 0.730 514 R CB -1.895 28.065 30.300 -0.566 0.000 1.190 514 R HN 0.355 nan 8.270 nan 0.000 0.437 515 G N -1.134 107.634 108.800 -0.053 0.000 2.820 515 G HA2 0.430 4.391 3.960 0.001 0.000 0.291 515 G HA3 0.430 4.391 3.960 0.001 0.000 0.291 515 G C 0.077 175.094 174.900 0.195 0.000 1.323 515 G CA -0.339 44.811 45.100 0.084 0.000 1.055 515 G HN 0.185 nan 8.290 nan 0.000 0.520 516 R N -1.428 119.115 120.500 0.071 0.000 2.093 516 R HA 0.107 4.448 4.340 0.001 0.000 0.224 516 R C 0.130 176.154 176.300 -0.460 0.000 1.101 516 R CA 0.937 56.928 56.100 -0.182 0.000 0.979 516 R CB -0.108 30.016 30.300 -0.294 0.000 0.877 516 R HN 0.391 nan 8.270 nan 0.000 0.441 517 F N 0.961 121.009 119.950 0.162 0.000 2.623 517 F HA 0.259 4.787 4.527 0.001 0.000 0.361 517 F C -1.014 175.052 175.800 0.444 0.000 1.469 517 F CA -1.048 56.961 58.000 0.015 0.000 1.126 517 F CB 0.818 39.612 39.000 -0.344 0.000 1.221 517 F HN -0.263 nan 8.300 nan 0.000 0.536 518 D N 1.761 122.508 120.400 0.579 0.000 2.325 518 D HA 0.170 4.811 4.640 0.001 0.000 0.251 518 D C 0.251 176.844 176.300 0.489 0.000 1.196 518 D CA 0.139 54.461 54.000 0.536 0.000 0.866 518 D CB 1.966 43.117 40.800 0.585 0.000 1.101 518 D HN -0.039 nan 8.370 nan 0.000 0.476 519 V N 3.675 123.791 119.914 0.337 0.000 2.529 519 V HA -0.008 4.113 4.120 0.001 0.000 0.292 519 V C 1.044 177.138 176.094 0.000 0.000 1.028 519 V CA -0.283 62.050 62.300 0.056 0.000 1.074 519 V CB 0.199 32.014 31.823 -0.015 0.000 0.958 519 V HN 0.348 nan 8.190 nan 0.000 0.481 520 L N 7.997 129.119 121.223 -0.168 0.000 2.436 520 L HA 0.346 4.687 4.340 0.001 0.000 0.265 520 L C -1.690 174.946 176.870 -0.390 0.000 1.168 520 L CA -1.428 53.169 54.840 -0.405 0.000 0.815 520 L CB 0.994 42.902 42.059 -0.252 0.000 1.109 520 L HN 0.491 nan 8.230 nan 0.000 0.462 521 P HA 0.127 nan 4.420 nan 0.000 0.275 521 P C -0.880 176.334 177.300 -0.145 0.000 1.228 521 P CA -0.408 62.452 63.100 -0.399 0.000 0.786 521 P CB 0.922 32.218 31.700 -0.673 0.000 0.927 522 L N 2.424 123.646 121.223 -0.001 0.000 2.380 522 L HA 0.193 4.533 4.340 0.001 0.000 0.273 522 L C 0.563 177.490 176.870 0.094 0.000 1.138 522 L CA -0.525 54.375 54.840 0.101 0.000 0.832 522 L CB 0.338 42.520 42.059 0.204 0.000 1.124 522 L HN 0.287 nan 8.230 nan 0.000 0.454 523 L N 5.712 127.019 121.223 0.139 0.000 2.353 523 L HA 0.493 4.833 4.340 0.001 0.000 0.270 523 L C -0.742 176.115 176.870 -0.023 0.000 1.003 523 L CA 0.027 54.864 54.840 -0.003 0.000 0.862 523 L CB 0.895 42.964 42.059 0.017 0.000 1.221 523 L HN 0.362 nan 8.230 nan 0.000 0.430 524 L N 3.592 124.786 121.223 -0.047 0.000 2.334 524 L HA 0.643 4.983 4.340 0.001 0.000 0.272 524 L C -0.292 176.461 176.870 -0.194 0.000 1.020 524 L CA -0.603 54.206 54.840 -0.053 0.000 0.812 524 L CB 1.780 43.848 42.059 0.015 0.000 1.264 524 L HN 0.564 nan 8.230 nan 0.000 0.439 525 Q N 1.709 121.420 119.800 -0.147 0.000 2.304 525 Q HA 0.735 5.076 4.340 0.001 0.000 0.270 525 Q C -1.724 174.105 176.000 -0.285 0.000 1.035 525 Q CA -0.623 55.065 55.803 -0.192 0.000 0.781 525 Q CB 2.362 31.094 28.738 -0.009 0.000 1.261 525 Q HN 0.789 nan 8.270 nan 0.000 0.444 526 A N 3.856 126.439 122.820 -0.395 0.000 2.355 526 A HA 0.434 4.755 4.320 0.001 0.000 0.317 526 A C 0.088 177.213 177.584 -0.765 0.000 1.094 526 A CA -0.448 51.064 52.037 -0.876 0.000 0.764 526 A CB 0.970 19.651 19.000 -0.531 0.000 1.230 526 A HN 1.059 nan 8.150 nan 0.000 0.448 527 N N 0.669 118.619 118.700 -1.249 0.000 2.710 527 N HA -0.253 4.487 4.740 0.001 0.000 0.249 527 N C 0.993 176.487 175.510 -0.026 0.000 1.059 527 N CA 1.747 54.584 53.050 -0.355 0.000 0.720 527 N CB -0.594 37.825 38.487 -0.113 0.000 0.983 527 N HN 2.171 nan 8.380 nan 0.000 0.544 528 G N -1.147 107.661 108.800 0.014 0.000 2.148 528 G HA2 -0.302 3.659 3.960 0.001 0.000 0.254 528 G HA3 -0.302 3.659 3.960 0.001 0.000 0.254 528 G C 0.105 175.190 174.900 0.308 0.000 0.981 528 G CA 0.446 45.713 45.100 0.278 0.000 0.670 528 G HN 0.564 nan 8.290 nan 0.000 0.528 529 N N 0.941 119.704 118.700 0.106 0.000 2.445 529 N HA 0.322 5.062 4.740 0.001 0.000 0.264 529 N C -0.171 175.289 175.510 -0.084 0.000 1.227 529 N CA -0.412 52.697 53.050 0.098 0.000 0.963 529 N CB 0.462 38.968 38.487 0.032 0.000 1.188 529 N HN 0.140 nan 8.380 nan 0.000 0.491 530 D N 1.492 121.757 120.400 -0.226 0.000 2.472 530 D HA 0.072 4.712 4.640 0.001 0.000 0.237 530 D C -1.845 174.179 176.300 -0.460 0.000 1.141 530 D CA -0.335 53.418 54.000 -0.411 0.000 0.875 530 D CB 0.085 40.592 40.800 -0.488 0.000 1.192 530 D HN 0.269 nan 8.370 nan 0.000 0.450 531 P HA 0.095 nan 4.420 nan 0.000 0.272 531 P C -0.778 176.208 177.300 -0.523 0.000 1.223 531 P CA -0.238 62.404 63.100 -0.763 0.000 0.784 531 P CB 0.892 31.663 31.700 -1.548 0.000 0.923 532 E N 1.477 121.447 120.200 -0.383 0.000 2.266 532 E HA 0.473 4.824 4.350 0.001 0.000 0.268 532 E C -0.489 175.816 176.600 -0.490 0.000 0.879 532 E CA -1.071 55.084 56.400 -0.408 0.000 0.762 532 E CB 1.463 30.934 29.700 -0.382 0.000 1.199 532 E HN 0.313 nan 8.360 nan 0.000 0.422 533 L N 2.052 122.930 121.223 -0.575 0.000 2.397 533 L HA 0.383 4.724 4.340 0.001 0.000 0.271 533 L C -0.716 175.611 176.870 -0.904 0.000 1.148 533 L CA 0.071 54.598 54.840 -0.520 0.000 0.825 533 L CB 0.073 41.935 42.059 -0.328 0.000 1.117 533 L HN 0.508 nan 8.230 nan 0.000 0.456 534 F N 0.806 120.590 119.950 -0.277 0.000 2.630 534 F HA 0.270 4.798 4.527 0.001 0.000 0.325 534 F C -0.071 175.596 175.800 -0.221 0.000 1.184 534 F CA -0.781 56.967 58.000 -0.420 0.000 1.011 534 F CB 1.823 40.426 39.000 -0.662 0.000 1.268 534 F HN 0.323 nan 8.300 nan 0.000 0.480 535 Q N 2.699 122.497 119.800 -0.003 0.000 2.259 535 Q HA 0.571 4.912 4.340 0.001 0.000 0.246 535 Q C -0.851 175.307 176.000 0.263 0.000 0.920 535 Q CA -0.150 55.716 55.803 0.105 0.000 0.895 535 Q CB 1.209 30.016 28.738 0.114 0.000 1.220 535 Q HN 0.599 nan 8.270 nan 0.000 0.439 536 I N 5.683 126.395 120.570 0.237 0.000 2.315 536 I HA 0.268 4.438 4.170 0.001 0.000 0.291 536 I C -1.893 174.327 176.117 0.173 0.000 1.006 536 I CA -2.241 59.212 61.300 0.255 0.000 1.265 536 I CB 1.381 39.444 38.000 0.104 0.000 1.387 536 I HN 0.538 nan 8.210 nan 0.000 0.475 537 P HA -0.059 nan 4.420 nan 0.000 0.252 537 P C -2.156 175.193 177.300 0.080 0.000 1.147 537 P CA -0.684 62.492 63.100 0.125 0.000 0.779 537 P CB -0.063 31.698 31.700 0.102 0.000 0.733 538 P HA -0.238 nan 4.420 nan 0.000 0.218 538 P C 1.510 178.839 177.300 0.049 0.000 1.154 538 P CA 1.666 64.807 63.100 0.068 0.000 0.872 538 P CB -0.158 31.587 31.700 0.075 0.000 0.790 539 E N -0.253 119.973 120.200 0.044 0.000 2.472 539 E HA -0.128 4.222 4.350 0.001 0.000 0.200 539 E C 1.583 178.195 176.600 0.020 0.000 1.046 539 E CA 0.904 57.322 56.400 0.030 0.000 0.871 539 E CB -0.938 28.779 29.700 0.027 0.000 0.806 539 E HN 0.333 nan 8.360 nan 0.000 0.533 540 L N 0.735 121.970 121.223 0.019 0.000 2.554 540 L HA 0.151 4.491 4.340 0.001 0.000 0.225 540 L C 0.531 177.403 176.870 0.003 0.000 1.104 540 L CA -0.011 54.832 54.840 0.005 0.000 0.866 540 L CB 0.752 42.806 42.059 -0.010 0.000 1.047 540 L HN -0.098 nan 8.230 nan 0.000 0.468 541 V N 2.242 122.161 119.914 0.008 0.000 2.304 541 V HA 0.130 4.250 4.120 0.001 0.000 0.262 541 V C 0.038 176.146 176.094 0.022 0.000 1.061 541 V CA -0.536 61.766 62.300 0.003 0.000 0.872 541 V CB 1.247 33.064 31.823 -0.010 0.000 1.077 541 V HN 0.044 nan 8.190 nan 0.000 0.480 542 L N 6.170 127.408 121.223 0.026 0.000 2.410 542 L HA 0.396 4.736 4.340 0.001 0.000 0.273 542 L C 0.244 177.134 176.870 0.032 0.000 1.144 542 L CA 0.756 55.605 54.840 0.016 0.000 0.863 542 L CB 0.189 42.249 42.059 0.003 0.000 1.140 542 L HN 0.636 nan 8.230 nan 0.000 0.463 543 E N 3.399 123.606 120.200 0.012 0.000 2.320 543 E HA 0.672 5.023 4.350 0.001 0.000 0.264 543 E C -1.451 175.104 176.600 -0.075 0.000 0.923 543 E CA -1.053 55.361 56.400 0.024 0.000 0.796 543 E CB 2.501 32.252 29.700 0.086 0.000 1.262 543 E HN 0.367 nan 8.360 nan 0.000 0.428 544 V N 2.643 122.502 119.914 -0.092 0.000 2.524 544 V HA 0.298 4.419 4.120 0.001 0.000 0.297 544 V C -2.438 173.633 176.094 -0.038 0.000 1.035 544 V CA -1.757 60.441 62.300 -0.170 0.000 0.867 544 V CB 1.714 33.225 31.823 -0.519 0.000 1.004 544 V HN 0.546 nan 8.190 nan 0.000 0.426 545 P HA 0.314 nan 4.420 nan 0.000 0.281 545 P C -0.819 176.513 177.300 0.053 0.000 1.252 545 P CA -0.182 62.917 63.100 -0.001 0.000 0.778 545 P CB 1.210 32.906 31.700 -0.006 0.000 0.895 546 I N 5.083 125.716 120.570 0.106 0.000 2.371 546 I HA 0.319 4.489 4.170 0.001 0.000 0.290 546 I C 1.244 177.514 176.117 0.256 0.000 1.028 546 I CA -0.149 61.268 61.300 0.195 0.000 1.345 546 I CB 0.084 38.249 38.000 0.275 0.000 1.407 546 I HN 0.469 nan 8.210 nan 0.000 0.501 547 R N 5.232 125.867 120.500 0.224 0.000 2.836 547 R HA 0.495 4.835 4.340 0.001 0.000 0.269 547 R C -1.269 175.064 176.300 0.056 0.000 1.010 547 R CA -0.707 55.538 56.100 0.241 0.000 0.930 547 R CB 2.094 32.510 30.300 0.193 0.000 1.218 547 R HN 0.579 nan 8.270 nan 0.000 0.473 548 H N 1.994 120.930 119.070 -0.224 0.000 2.472 548 H HA 0.329 4.885 4.556 0.001 0.000 0.338 548 H C -1.752 173.223 175.328 -0.589 0.000 1.133 548 H CA -2.064 53.643 56.048 -0.568 0.000 1.216 548 H CB 2.406 31.675 29.762 -0.823 0.000 1.497 548 H HN 0.360 nan 8.280 nan 0.000 0.500 549 P HA 0.007 nan 4.420 nan 0.000 0.242 549 P C 0.252 177.297 177.300 -0.425 0.000 1.197 549 P CA 0.786 63.262 63.100 -1.039 0.000 0.765 549 P CB 0.626 31.464 31.700 -1.436 0.000 0.936 550 K N -1.588 118.712 120.400 -0.165 0.000 2.711 550 K HA 0.185 4.505 4.320 0.001 0.000 0.197 550 K C 0.536 177.094 176.600 -0.069 0.000 1.535 550 K CA 0.105 56.278 56.287 -0.190 0.000 1.170 550 K CB 0.371 32.650 32.500 -0.368 0.000 1.596 550 K HN 0.128 nan 8.250 nan 0.000 0.584 551 F N 2.422 122.264 119.950 -0.180 0.000 2.411 551 F HA 0.137 4.665 4.527 0.001 0.000 0.355 551 F C 1.090 176.667 175.800 -0.373 0.000 1.117 551 F CA -0.688 57.072 58.000 -0.400 0.000 1.139 551 F CB 1.238 39.657 39.000 -0.969 0.000 1.120 551 F HN 0.015 nan 8.300 nan 0.000 0.493 552 D N 3.871 124.280 120.400 0.015 0.000 2.350 552 D HA -0.058 4.583 4.640 0.001 0.000 0.213 552 D C 1.667 178.014 176.300 0.079 0.000 1.031 552 D CA 0.317 54.348 54.000 0.051 0.000 0.861 552 D CB 0.164 41.031 40.800 0.112 0.000 0.926 552 D HN 0.608 nan 8.370 nan 0.000 0.520 553 W N -0.706 120.703 121.300 0.181 0.000 2.905 553 W HA 0.063 4.724 4.660 0.001 0.000 0.251 553 W C 0.895 177.482 176.519 0.114 0.000 1.305 553 W CA -0.416 56.990 57.345 0.102 0.000 1.465 553 W CB -1.168 28.309 29.460 0.029 0.000 1.122 553 W HN -0.083 nan 8.180 nan 0.000 0.659 554 F N 2.596 122.226 119.950 -0.534 0.000 2.134 554 F HA -0.135 4.393 4.527 0.001 0.000 0.299 554 F C 2.575 178.327 175.800 -0.081 0.000 1.097 554 F CA 2.245 59.996 58.000 -0.415 0.000 1.264 554 F CB -0.297 38.426 39.000 -0.462 0.000 1.001 554 F HN -0.269 nan 8.300 nan 0.000 0.479 555 K N -0.064 120.406 120.400 0.117 0.000 2.089 555 K HA -0.254 4.067 4.320 0.001 0.000 0.210 555 K C 1.068 177.703 176.600 0.058 0.000 1.048 555 K CA 2.112 58.459 56.287 0.099 0.000 0.926 555 K CB -0.421 32.135 32.500 0.093 0.000 0.714 555 K HN 0.266 nan 8.250 nan 0.000 0.448 556 D N 0.311 120.754 120.400 0.071 0.000 2.352 556 D HA -0.002 4.638 4.640 0.001 0.000 0.232 556 D C 1.207 177.529 176.300 0.037 0.000 1.055 556 D CA 0.333 54.375 54.000 0.069 0.000 0.891 556 D CB 0.100 40.963 40.800 0.105 0.000 0.897 556 D HN 0.143 nan 8.370 nan 0.000 0.529 557 L N -0.336 120.861 121.223 -0.043 0.000 2.270 557 L HA 0.127 4.468 4.340 0.001 0.000 0.210 557 L C 1.244 178.096 176.870 -0.029 0.000 1.104 557 L CA 0.485 55.261 54.840 -0.105 0.000 0.804 557 L CB -0.178 41.647 42.059 -0.390 0.000 0.937 557 L HN 0.234 nan 8.230 nan 0.000 0.450 558 G N 1.212 110.008 108.800 -0.007 0.000 2.341 558 G HA2 -0.231 3.729 3.960 0.001 0.000 0.278 558 G HA3 -0.231 3.729 3.960 0.001 0.000 0.278 558 G C -0.350 174.573 174.900 0.039 0.000 1.111 558 G CA -0.230 44.904 45.100 0.056 0.000 0.982 558 G HN 0.182 nan 8.290 nan 0.000 0.502 559 L N -0.276 120.900 121.223 -0.079 0.000 2.342 559 L HA 0.908 5.249 4.340 0.001 0.000 0.271 559 L C 0.383 177.128 176.870 -0.210 0.000 1.008 559 L CA -0.996 53.727 54.840 -0.194 0.000 0.818 559 L CB 2.251 44.181 42.059 -0.214 0.000 1.296 559 L HN 0.496 nan 8.230 nan 0.000 0.427 560 K N 1.219 121.403 120.400 -0.361 0.000 2.587 560 K HA 0.426 4.747 4.320 0.001 0.000 0.276 560 K C -2.233 174.417 176.600 0.083 0.000 0.956 560 K CA -0.973 55.233 56.287 -0.135 0.000 0.857 560 K CB 2.426 34.783 32.500 -0.238 0.000 1.431 560 K HN 0.641 nan 8.250 nan 0.000 0.420 561 W N 2.563 123.855 121.300 -0.012 0.000 3.062 561 W HA 0.406 5.067 4.660 0.001 0.000 0.336 561 W C -1.228 175.358 176.519 0.112 0.000 1.224 561 W CA -0.956 56.422 57.345 0.055 0.000 1.159 561 W CB 1.835 31.216 29.460 -0.132 0.000 1.454 561 W HN 0.681 nan 8.180 nan 0.000 0.569 562 Y N 0.195 120.521 120.300 0.043 0.000 2.299 562 Y HA 0.538 5.088 4.550 0.001 0.000 0.326 562 Y C 0.950 177.046 175.900 0.327 0.000 1.164 562 Y CA -0.420 57.704 58.100 0.039 0.000 1.234 562 Y CB 0.443 38.783 38.460 -0.200 0.000 1.219 562 Y HN 0.456 nan 8.280 nan 0.000 0.497 563 G N 2.441 111.442 108.800 0.335 0.000 2.650 563 G HA2 -0.011 3.950 3.960 0.001 0.000 0.214 563 G HA3 -0.011 3.950 3.960 0.001 0.000 0.214 563 G C -0.281 174.921 174.900 0.502 0.000 1.136 563 G CA 0.056 45.415 45.100 0.432 0.000 0.789 563 G HN 0.568 nan 8.290 nan 0.000 0.536 564 L N 2.137 123.612 121.223 0.420 0.000 2.295 564 L HA 0.484 4.825 4.340 0.001 0.000 0.281 564 L C -2.385 174.591 176.870 0.176 0.000 1.018 564 L CA -2.553 52.431 54.840 0.240 0.000 0.841 564 L CB 1.916 44.055 42.059 0.133 0.000 1.218 564 L HN -0.209 nan 8.230 nan 0.000 0.424 565 P HA 0.333 nan 4.420 nan 0.000 0.291 565 P C -1.367 175.816 177.300 -0.195 0.000 1.378 565 P CA -0.305 62.636 63.100 -0.264 0.000 0.853 565 P CB 1.362 32.471 31.700 -0.984 0.000 1.002 566 A N 4.670 127.370 122.820 -0.200 0.000 2.409 566 A HA 0.405 4.726 4.320 0.001 0.000 0.300 566 A C -0.155 177.180 177.584 -0.414 0.000 1.273 566 A CA -0.692 51.168 52.037 -0.296 0.000 0.774 566 A CB 0.794 19.630 19.000 -0.274 0.000 1.144 566 A HN 0.311 nan 8.150 nan 0.000 0.472 567 V N 2.987 122.509 119.914 -0.653 0.000 2.521 567 V HA 0.238 4.359 4.120 0.001 0.000 0.286 567 V C 1.190 176.839 176.094 -0.742 0.000 1.034 567 V CA 1.267 63.132 62.300 -0.725 0.000 1.045 567 V CB 1.136 32.362 31.823 -0.995 0.000 0.974 567 V HN 1.102 nan 8.190 nan 0.000 0.480 568 S N 1.790 117.248 115.700 -0.403 0.000 2.819 568 S HA 0.077 4.547 4.470 0.001 0.000 0.249 568 S C 0.715 175.241 174.600 -0.123 0.000 1.030 568 S CA 0.018 58.066 58.200 -0.252 0.000 1.052 568 S CB -0.428 62.663 63.200 -0.182 0.000 1.017 568 S HN 0.910 nan 8.310 nan 0.000 0.576 569 N N 0.506 119.135 118.700 -0.119 0.000 2.205 569 N HA 0.277 5.017 4.740 0.001 0.000 0.201 569 N C 0.292 175.818 175.510 0.026 0.000 1.128 569 N CA -0.509 52.508 53.050 -0.055 0.000 0.867 569 N CB 0.097 38.531 38.487 -0.088 0.000 0.996 569 N HN 0.290 nan 8.380 nan 0.000 0.503 570 M N 1.207 120.856 119.600 0.081 0.000 2.283 570 M HA 0.300 4.780 4.480 0.001 0.000 0.314 570 M C -0.561 175.876 176.300 0.228 0.000 1.153 570 M CA -0.712 54.704 55.300 0.193 0.000 1.084 570 M CB 2.159 34.927 32.600 0.280 0.000 1.468 570 M HN 0.082 nan 8.290 nan 0.000 0.474 571 L N 2.986 124.336 121.223 0.212 0.000 2.280 571 L HA 0.452 4.793 4.340 0.001 0.000 0.287 571 L C -1.218 175.756 176.870 0.173 0.000 1.023 571 L CA -0.962 53.984 54.840 0.178 0.000 0.819 571 L CB 1.018 43.132 42.059 0.092 0.000 1.212 571 L HN 0.561 nan 8.230 nan 0.000 0.420 572 L N 5.002 126.330 121.223 0.176 0.000 2.319 572 L HA 0.397 4.738 4.340 0.001 0.000 0.280 572 L C -0.317 176.578 176.870 0.041 0.000 1.099 572 L CA 0.336 55.143 54.840 -0.055 0.000 0.828 572 L CB 1.186 43.169 42.059 -0.128 0.000 1.150 572 L HN 0.754 nan 8.230 nan 0.000 0.442 573 E N 5.833 125.986 120.200 -0.078 0.000 2.176 573 E HA 0.661 5.011 4.350 0.001 0.000 0.267 573 E C -1.602 174.945 176.600 -0.089 0.000 0.893 573 E CA -0.484 55.899 56.400 -0.029 0.000 0.761 573 E CB 1.048 30.735 29.700 -0.021 0.000 1.133 573 E HN 0.674 nan 8.360 nan 0.000 0.409 574 I N 3.659 124.184 120.570 -0.075 0.000 2.569 574 I HA 0.403 4.574 4.170 0.001 0.000 0.290 574 I C 0.784 176.712 176.117 -0.314 0.000 1.088 574 I CA -1.061 60.072 61.300 -0.278 0.000 1.047 574 I CB 2.185 39.970 38.000 -0.358 0.000 1.237 574 I HN 0.902 nan 8.210 nan 0.000 0.421 575 G N 3.936 112.497 108.800 -0.397 0.000 2.402 575 G HA2 -0.130 3.830 3.960 0.001 0.000 0.300 575 G HA3 -0.130 3.830 3.960 0.001 0.000 0.300 575 G C 1.046 176.011 174.900 0.108 0.000 0.987 575 G CA 1.059 46.131 45.100 -0.047 0.000 0.881 575 G HN 1.671 nan 8.290 nan 0.000 0.512 576 G N -2.109 106.710 108.800 0.032 0.000 2.217 576 G HA2 -0.231 3.730 3.960 0.001 0.000 0.246 576 G HA3 -0.231 3.730 3.960 0.001 0.000 0.246 576 G C 0.461 175.345 174.900 -0.026 0.000 0.990 576 G CA 0.331 45.462 45.100 0.051 0.000 0.627 576 G HN 1.221 nan 8.290 nan 0.000 0.522 577 L N 1.109 122.262 121.223 -0.117 0.000 2.326 577 L HA 0.540 4.881 4.340 0.001 0.000 0.278 577 L C 0.207 176.881 176.870 -0.328 0.000 1.092 577 L CA -0.384 54.275 54.840 -0.302 0.000 0.810 577 L CB 1.056 42.831 42.059 -0.473 0.000 1.153 577 L HN 0.204 nan 8.230 nan 0.000 0.439 578 E N 3.299 123.254 120.200 -0.409 0.000 2.129 578 E HA 0.359 4.710 4.350 0.001 0.000 0.268 578 E C -1.430 174.920 176.600 -0.417 0.000 0.900 578 E CA -0.384 55.851 56.400 -0.275 0.000 0.755 578 E CB 1.415 31.034 29.700 -0.136 0.000 1.117 578 E HN 0.280 nan 8.360 nan 0.000 0.410 579 F N 1.927 121.852 119.950 -0.041 0.000 2.293 579 F HA 0.117 4.644 4.527 0.001 0.000 0.370 579 F C 1.358 177.190 175.800 0.053 0.000 1.090 579 F CA -0.471 57.526 58.000 -0.005 0.000 1.133 579 F CB 1.136 40.117 39.000 -0.032 0.000 1.360 579 F HN 0.409 nan 8.300 nan 0.000 0.489 580 S N 1.179 116.986 115.700 0.179 0.000 2.447 580 S HA 0.081 4.552 4.470 0.001 0.000 0.233 580 S C 0.930 175.656 174.600 0.210 0.000 1.006 580 S CA 0.456 58.751 58.200 0.158 0.000 0.957 580 S CB -0.004 63.266 63.200 0.117 0.000 0.773 580 S HN 0.512 nan 8.310 nan 0.000 0.507 581 A N 1.015 124.017 122.820 0.303 0.000 2.310 581 A HA 0.591 4.912 4.320 0.001 0.000 0.304 581 A C 0.040 177.870 177.584 0.410 0.000 1.231 581 A CA -0.714 51.546 52.037 0.372 0.000 0.799 581 A CB 0.375 19.641 19.000 0.443 0.000 1.162 581 A HN 0.888 nan 8.150 nan 0.000 0.486 582 C N 0.613 120.089 119.300 0.294 0.000 3.181 582 C HA 0.405 4.866 4.460 0.001 0.000 0.216 582 C C -2.757 172.342 174.990 0.182 0.000 1.834 582 C CA -1.674 57.473 59.018 0.215 0.000 1.208 582 C CB -0.502 27.398 27.740 0.266 0.000 2.103 582 C HN 0.580 nan 8.230 nan 0.000 0.579 583 P HA 0.165 nan 4.420 nan 0.000 0.261 583 P C -0.519 176.769 177.300 -0.020 0.000 1.173 583 P CA 1.230 64.265 63.100 -0.108 0.000 0.760 583 P CB 0.227 31.830 31.700 -0.162 0.000 0.783 584 F N 0.406 120.285 119.950 -0.117 0.000 2.563 584 F HA 0.783 5.310 4.527 0.001 0.000 0.316 584 F C -0.516 175.183 175.800 -0.169 0.000 1.076 584 F CA -1.388 56.534 58.000 -0.130 0.000 0.921 584 F CB 1.716 40.504 39.000 -0.353 0.000 1.209 584 F HN 0.404 nan 8.300 nan 0.000 0.462 585 S N 0.876 116.680 115.700 0.173 0.000 2.579 585 S HA 0.959 5.429 4.470 0.001 0.000 0.272 585 S C -0.824 173.747 174.600 -0.049 0.000 1.141 585 S CA -0.068 58.166 58.200 0.057 0.000 0.843 585 S CB 1.529 64.821 63.200 0.153 0.000 1.122 585 S HN 1.603 nan 8.310 nan 0.000 0.468 586 G N 0.189 108.927 108.800 -0.103 0.000 3.321 586 G HA2 0.698 4.659 3.960 0.001 0.000 0.169 586 G HA3 0.698 4.659 3.960 0.001 0.000 0.169 586 G C -1.601 173.337 174.900 0.063 0.000 1.153 586 G CA -0.205 44.783 45.100 -0.186 0.000 1.007 586 G HN 1.203 nan 8.290 nan 0.000 0.668 587 W N -1.332 119.979 121.300 0.017 0.000 3.029 587 W HA 0.829 5.490 4.660 0.001 0.000 0.339 587 W C -1.670 174.884 176.519 0.058 0.000 1.198 587 W CA -1.991 55.385 57.345 0.052 0.000 1.148 587 W CB 0.565 30.091 29.460 0.110 0.000 1.451 587 W HN 0.391 nan 8.180 nan 0.000 0.564 588 Y N 2.418 122.926 120.300 0.348 0.000 2.336 588 Y HA 0.335 4.885 4.550 0.001 0.000 0.331 588 Y C 0.735 176.700 175.900 0.108 0.000 1.211 588 Y CA -0.829 57.362 58.100 0.151 0.000 1.346 588 Y CB 1.257 39.742 38.460 0.041 0.000 1.271 588 Y HN 0.426 nan 8.280 nan 0.000 0.538 589 M N 1.971 121.730 119.600 0.265 0.000 2.300 589 M HA 0.354 4.835 4.480 0.001 0.000 0.348 589 M C 1.226 177.516 176.300 -0.017 0.000 1.151 589 M CA 0.024 55.396 55.300 0.120 0.000 1.046 589 M CB 1.270 33.925 32.600 0.092 0.000 1.647 589 M HN 0.872 nan 8.290 nan 0.000 0.451 590 G N 1.445 110.198 108.800 -0.079 0.000 2.624 590 G HA2 -0.351 3.610 3.960 0.001 0.000 0.221 590 G HA3 -0.351 3.610 3.960 0.001 0.000 0.221 590 G C 1.166 175.947 174.900 -0.199 0.000 1.169 590 G CA 1.961 46.952 45.100 -0.182 0.000 0.771 590 G HN 0.896 nan 8.290 nan 0.000 0.598 591 T N -0.752 113.741 114.554 -0.100 0.000 2.849 591 T HA -0.098 4.252 4.350 0.001 0.000 0.270 591 T C 1.942 176.522 174.700 -0.200 0.000 1.066 591 T CA 1.781 63.794 62.100 -0.146 0.000 1.130 591 T CB -0.374 68.401 68.868 -0.154 0.000 0.864 591 T HN 0.565 nan 8.240 nan 0.000 0.481 592 E N 0.858 120.945 120.200 -0.188 0.000 2.085 592 E HA -0.076 4.275 4.350 0.001 0.000 0.194 592 E C 2.055 178.414 176.600 -0.402 0.000 0.994 592 E CA 1.551 57.842 56.400 -0.182 0.000 0.801 592 E CB -0.296 29.420 29.700 0.027 0.000 0.743 592 E HN 0.639 nan 8.360 nan 0.000 0.453 593 I N -0.210 119.955 120.570 -0.673 0.000 2.556 593 I HA 0.006 4.177 4.170 0.001 0.000 0.251 593 I C 2.566 178.232 176.117 -0.752 0.000 1.105 593 I CA 0.682 61.325 61.300 -1.094 0.000 1.436 593 I CB -0.382 36.746 38.000 -1.453 0.000 1.139 593 I HN 0.058 nan 8.210 nan 0.000 0.438 594 G N 0.849 109.398 108.800 -0.418 0.000 2.422 594 G HA2 -0.134 3.826 3.960 0.001 0.000 0.218 594 G HA3 -0.134 3.826 3.960 0.001 0.000 0.218 594 G C 1.545 176.408 174.900 -0.061 0.000 1.146 594 G CA 1.302 46.327 45.100 -0.125 0.000 0.769 594 G HN 0.232 nan 8.290 nan 0.000 0.547 595 V N -0.007 119.828 119.914 -0.133 0.000 2.602 595 V HA 0.100 4.220 4.120 0.001 0.000 0.235 595 V C 2.744 178.782 176.094 -0.095 0.000 1.087 595 V CA 0.709 62.950 62.300 -0.098 0.000 1.117 595 V CB -0.293 31.449 31.823 -0.135 0.000 0.820 595 V HN 0.088 nan 8.190 nan 0.000 0.490 596 R N 0.952 121.368 120.500 -0.140 0.000 2.064 596 R HA -0.077 4.264 4.340 0.001 0.000 0.228 596 R C 1.943 178.191 176.300 -0.086 0.000 1.144 596 R CA 1.741 57.774 56.100 -0.111 0.000 0.932 596 R CB -1.179 29.048 30.300 -0.122 0.000 0.833 596 R HN 0.482 nan 8.270 nan 0.000 0.429 597 D N -0.098 120.173 120.400 -0.216 0.000 2.117 597 D HA -0.126 4.515 4.640 0.001 0.000 0.198 597 D C 2.109 178.353 176.300 -0.094 0.000 0.982 597 D CA 1.251 55.105 54.000 -0.243 0.000 0.828 597 D CB -0.187 40.141 40.800 -0.786 0.000 0.967 597 D HN 0.352 nan 8.370 nan 0.000 0.464 598 Y N -0.153 120.030 120.300 -0.195 0.000 2.301 598 Y HA -0.039 4.512 4.550 0.001 0.000 0.295 598 Y C 2.541 178.471 175.900 0.051 0.000 1.119 598 Y CA 0.253 58.319 58.100 -0.057 0.000 1.162 598 Y CB 0.231 38.613 38.460 -0.129 0.000 1.046 598 Y HN -0.007 nan 8.280 nan 0.000 0.538 599 C N -0.464 118.936 119.300 0.166 0.000 2.673 599 C HA 0.082 4.542 4.460 0.001 0.000 0.264 599 C C 0.347 175.376 174.990 0.064 0.000 1.304 599 C CA -0.662 58.417 59.018 0.102 0.000 1.727 599 C CB -1.002 26.771 27.740 0.054 0.000 1.932 599 C HN 0.275 nan 8.230 nan 0.000 0.563 600 D N 1.425 121.860 120.400 0.057 0.000 2.472 600 D HA 0.012 4.652 4.640 0.001 0.000 0.237 600 D C 0.832 177.164 176.300 0.053 0.000 1.141 600 D CA 0.527 54.549 54.000 0.036 0.000 0.875 600 D CB 0.380 41.200 40.800 0.032 0.000 1.192 600 D HN 0.202 nan 8.370 nan 0.000 0.450 601 N N -0.155 118.564 118.700 0.032 0.000 2.381 601 N HA -0.128 4.612 4.740 0.001 0.000 0.182 601 N C 1.096 176.627 175.510 0.035 0.000 1.025 601 N CA 0.806 53.877 53.050 0.036 0.000 0.888 601 N CB 0.134 38.636 38.487 0.025 0.000 0.965 601 N HN 0.289 nan 8.380 nan 0.000 0.438 602 S N -0.988 114.732 115.700 0.034 0.000 2.597 602 S HA 0.312 4.782 4.470 0.001 0.000 0.224 602 S C 0.876 175.497 174.600 0.035 0.000 0.955 602 S CA -0.358 57.860 58.200 0.029 0.000 0.933 602 S CB 0.513 63.730 63.200 0.029 0.000 0.788 602 S HN 0.000 nan 8.310 nan 0.000 0.488 603 R N 0.085 120.619 120.500 0.056 0.000 2.893 603 R HA 0.383 4.723 4.340 0.001 0.000 0.108 603 R C 0.421 176.746 176.300 0.042 0.000 0.889 603 R CA -0.579 55.571 56.100 0.084 0.000 0.627 603 R CB -1.005 29.411 30.300 0.193 0.000 0.778 603 R HN 0.260 nan 8.270 nan 0.000 0.360 604 Y N 1.960 122.357 120.300 0.162 0.000 2.639 604 Y HA -0.059 4.491 4.550 0.001 0.000 0.297 604 Y C 0.640 176.615 175.900 0.125 0.000 1.151 604 Y CA 0.609 58.816 58.100 0.177 0.000 1.335 604 Y CB -0.408 38.245 38.460 0.323 0.000 0.994 604 Y HN 0.411 nan 8.280 nan 0.000 0.548 605 N N 1.319 120.140 118.700 0.201 0.000 2.722 605 N HA -0.235 4.506 4.740 0.001 0.000 0.274 605 N C 0.245 175.839 175.510 0.140 0.000 0.987 605 N CA 0.883 54.015 53.050 0.137 0.000 0.817 605 N CB -1.158 37.380 38.487 0.085 0.000 0.921 605 N HN 0.676 nan 8.380 nan 0.000 0.565 606 I N -2.607 118.056 120.570 0.155 0.000 3.861 606 I HA 0.116 4.286 4.170 0.001 0.000 0.329 606 I C 1.536 177.725 176.117 0.121 0.000 1.321 606 I CA -0.443 60.926 61.300 0.114 0.000 1.126 606 I CB -0.027 38.004 38.000 0.052 0.000 1.018 606 I HN 0.113 nan 8.210 nan 0.000 0.407 607 L N 0.932 122.239 121.223 0.141 0.000 2.017 607 L HA -0.151 4.189 4.340 0.001 0.000 0.208 607 L C 2.573 179.615 176.870 0.287 0.000 1.073 607 L CA 1.748 56.697 54.840 0.181 0.000 0.745 607 L CB -0.483 41.638 42.059 0.103 0.000 0.894 607 L HN 0.372 nan 8.230 nan 0.000 0.432 608 E N 0.037 120.410 120.200 0.288 0.000 2.007 608 E HA -0.338 4.013 4.350 0.001 0.000 0.203 608 E C 2.004 178.665 176.600 0.102 0.000 1.020 608 E CA 1.731 58.275 56.400 0.241 0.000 0.845 608 E CB -0.276 29.506 29.700 0.136 0.000 0.779 608 E HN 0.406 nan 8.360 nan 0.000 0.466 609 E N 0.523 120.757 120.200 0.057 0.000 2.164 609 E HA -0.262 4.089 4.350 0.001 0.000 0.206 609 E C 2.071 178.665 176.600 -0.010 0.000 1.032 609 E CA 1.727 58.128 56.400 0.002 0.000 0.832 609 E CB 0.051 29.756 29.700 0.009 0.000 0.742 609 E HN 0.076 nan 8.360 nan 0.000 0.460 610 V N 0.597 120.558 119.914 0.078 0.000 2.453 610 V HA -0.193 3.927 4.120 0.001 0.000 0.247 610 V C 2.350 178.493 176.094 0.082 0.000 1.048 610 V CA 1.549 63.953 62.300 0.174 0.000 1.049 610 V CB -0.579 31.427 31.823 0.306 0.000 0.672 610 V HN 0.443 nan 8.190 nan 0.000 0.457 611 A N 0.094 122.982 122.820 0.112 0.000 1.855 611 A HA -0.203 4.118 4.320 0.001 0.000 0.215 611 A C 2.290 179.795 177.584 -0.131 0.000 1.191 611 A CA 1.822 53.913 52.037 0.089 0.000 0.613 611 A CB -0.437 18.740 19.000 0.294 0.000 0.829 611 A HN 0.500 nan 8.150 nan 0.000 0.442 612 K N -0.170 120.122 120.400 -0.181 0.000 2.020 612 K HA -0.199 4.121 4.320 0.001 0.000 0.212 612 K C 2.077 178.460 176.600 -0.362 0.000 1.050 612 K CA 1.635 57.771 56.287 -0.252 0.000 0.929 612 K CB -0.238 32.136 32.500 -0.211 0.000 0.714 612 K HN 0.234 nan 8.250 nan 0.000 0.443 613 K N 0.680 120.777 120.400 -0.504 0.000 2.044 613 K HA -0.125 4.196 4.320 0.001 0.000 0.210 613 K C 2.041 178.003 176.600 -1.063 0.000 1.049 613 K CA 1.581 57.296 56.287 -0.952 0.000 0.927 613 K CB -0.280 31.301 32.500 -1.532 0.000 0.713 613 K HN 0.304 nan 8.250 nan 0.000 0.443 614 M N 0.312 119.453 119.600 -0.765 0.000 2.476 614 M HA -0.088 4.392 4.480 0.001 0.000 0.262 614 M C -0.274 175.828 176.300 -0.331 0.000 1.079 614 M CA 0.516 55.515 55.300 -0.501 0.000 1.104 614 M CB -0.325 32.165 32.600 -0.184 0.000 1.409 614 M HN 0.071 nan 8.290 nan 0.000 0.467 615 D N 1.895 122.109 120.400 -0.311 0.000 2.828 615 D HA -0.132 4.508 4.640 0.001 0.000 0.241 615 D C -0.901 175.307 176.300 -0.153 0.000 1.142 615 D CA 0.443 54.305 54.000 -0.230 0.000 0.755 615 D CB -0.838 39.829 40.800 -0.222 0.000 1.014 615 D HN 0.249 nan 8.370 nan 0.000 0.420 616 L N -0.028 121.121 121.223 -0.123 0.000 2.431 616 L HA 0.338 4.679 4.340 0.001 0.000 0.260 616 L C 1.155 177.954 176.870 -0.119 0.000 1.098 616 L CA -0.783 54.027 54.840 -0.049 0.000 0.800 616 L CB 0.563 42.676 42.059 0.089 0.000 1.210 616 L HN 0.016 nan 8.230 nan 0.000 0.465 617 D N 1.807 122.172 120.400 -0.059 0.000 2.455 617 D HA 0.107 4.748 4.640 0.001 0.000 0.234 617 D C 0.496 176.660 176.300 -0.226 0.000 1.224 617 D CA 0.142 54.083 54.000 -0.099 0.000 0.999 617 D CB 0.646 41.439 40.800 -0.013 0.000 1.072 617 D HN 0.367 nan 8.370 nan 0.000 0.514 618 M N 2.248 121.542 119.600 -0.509 0.000 2.568 618 M HA 0.082 4.562 4.480 0.001 0.000 0.226 618 M C 1.854 177.832 176.300 -0.537 0.000 1.148 618 M CA -0.100 54.541 55.300 -1.100 0.000 1.007 618 M CB 0.415 32.237 32.600 -1.297 0.000 1.651 618 M HN 0.160 nan 8.290 nan 0.000 0.488 619 R N 1.797 122.151 120.500 -0.242 0.000 2.075 619 R HA 0.032 4.373 4.340 0.001 0.000 0.226 619 R C -0.050 176.250 176.300 -0.000 0.000 1.114 619 R CA 1.082 57.118 56.100 -0.106 0.000 0.972 619 R CB 0.515 30.770 30.300 -0.074 0.000 0.869 619 R HN 0.176 nan 8.270 nan 0.000 0.437 620 K N -0.218 120.220 120.400 0.063 0.000 2.443 620 K HA 0.124 4.445 4.320 0.001 0.000 0.252 620 K C 0.266 177.012 176.600 0.244 0.000 0.933 620 K CA 0.002 56.365 56.287 0.126 0.000 0.792 620 K CB 2.119 34.665 32.500 0.077 0.000 1.185 620 K HN 0.066 nan 8.250 nan 0.000 0.425 621 T N -2.072 112.630 114.554 0.247 0.000 3.077 621 T HA -0.101 4.250 4.350 0.001 0.000 0.269 621 T C 1.160 175.924 174.700 0.106 0.000 1.146 621 T CA 1.184 63.408 62.100 0.206 0.000 1.091 621 T CB -0.194 68.728 68.868 0.090 0.000 0.892 621 T HN 0.397 nan 8.240 nan 0.000 0.533 622 S N 1.692 117.454 115.700 0.103 0.000 2.561 622 S HA 0.013 4.483 4.470 0.001 0.000 0.225 622 S C 2.150 176.798 174.600 0.080 0.000 0.977 622 S CA 0.599 58.839 58.200 0.066 0.000 0.926 622 S CB -0.301 62.931 63.200 0.052 0.000 0.769 622 S HN 0.857 nan 8.310 nan 0.000 0.533 623 S N 1.651 117.433 115.700 0.137 0.000 2.496 623 S HA 0.196 4.666 4.470 0.001 0.000 0.224 623 S C 0.870 175.558 174.600 0.146 0.000 0.996 623 S CA -0.153 58.136 58.200 0.149 0.000 0.927 623 S CB -0.749 62.570 63.200 0.199 0.000 0.774 623 S HN 0.446 nan 8.310 nan 0.000 0.524 624 L N 1.149 122.433 121.223 0.102 0.000 3.717 624 L HA -0.175 4.165 4.340 0.001 0.000 0.414 624 L C 1.639 178.517 176.870 0.014 0.000 1.228 624 L CA 0.570 55.403 54.840 -0.012 0.000 0.918 624 L CB -2.471 39.588 42.059 -0.000 0.000 1.865 624 L HN 0.692 nan 8.230 nan 0.000 0.922 625 W N 0.020 121.329 121.300 0.015 0.000 2.338 625 W HA -0.168 4.492 4.660 0.001 0.000 0.304 625 W C 1.774 178.311 176.519 0.031 0.000 1.212 625 W CA 1.446 58.802 57.345 0.018 0.000 1.264 625 W CB -0.862 28.600 29.460 0.003 0.000 1.142 625 W HN 0.271 nan 8.180 nan 0.000 0.512 626 K N 0.893 120.851 120.400 -0.737 0.000 2.103 626 K HA -0.180 4.140 4.320 0.001 0.000 0.207 626 K C 1.468 177.924 176.600 -0.240 0.000 1.048 626 K CA 2.352 58.255 56.287 -0.640 0.000 0.930 626 K CB -0.295 31.666 32.500 -0.899 0.000 0.716 626 K HN 0.116 nan 8.250 nan 0.000 0.444 627 D N 0.208 120.502 120.400 -0.177 0.000 2.149 627 D HA -0.104 4.536 4.640 0.001 0.000 0.201 627 D C 1.937 178.239 176.300 0.003 0.000 0.972 627 D CA 0.833 54.787 54.000 -0.077 0.000 0.835 627 D CB 0.101 40.863 40.800 -0.063 0.000 0.966 627 D HN 0.186 nan 8.370 nan 0.000 0.476 628 Q N 0.370 120.198 119.800 0.046 0.000 2.079 628 Q HA -0.056 4.284 4.340 0.001 0.000 0.200 628 Q C 2.311 178.404 176.000 0.155 0.000 0.974 628 Q CA 1.243 57.112 55.803 0.111 0.000 0.840 628 Q CB -0.164 28.659 28.738 0.142 0.000 0.898 628 Q HN 0.282 nan 8.270 nan 0.000 0.430 629 A N 1.212 124.134 122.820 0.169 0.000 1.877 629 A HA -0.188 4.133 4.320 0.001 0.000 0.216 629 A C 2.086 179.786 177.584 0.194 0.000 1.186 629 A CA 1.220 53.393 52.037 0.227 0.000 0.620 629 A CB -0.736 18.409 19.000 0.241 0.000 0.822 629 A HN 0.334 nan 8.150 nan 0.000 0.443 630 L N -0.037 121.249 121.223 0.106 0.000 2.187 630 L HA -0.140 4.200 4.340 0.001 0.000 0.213 630 L C 2.274 179.192 176.870 0.080 0.000 1.100 630 L CA 1.776 56.660 54.840 0.073 0.000 0.765 630 L CB -0.277 41.783 42.059 0.001 0.000 0.904 630 L HN 0.188 nan 8.230 nan 0.000 0.437 631 V N -1.028 118.941 119.914 0.093 0.000 2.302 631 V HA -0.125 3.996 4.120 0.001 0.000 0.243 631 V C 2.525 178.687 176.094 0.113 0.000 1.036 631 V CA 1.337 63.692 62.300 0.092 0.000 1.020 631 V CB -0.652 31.227 31.823 0.092 0.000 0.657 631 V HN 0.344 nan 8.190 nan 0.000 0.453 632 E N 0.515 120.823 120.200 0.180 0.000 2.058 632 E HA -0.203 4.147 4.350 0.001 0.000 0.194 632 E C 2.170 178.852 176.600 0.138 0.000 0.997 632 E CA 1.532 58.074 56.400 0.236 0.000 0.801 632 E CB -0.521 29.412 29.700 0.388 0.000 0.746 632 E HN 0.551 nan 8.360 nan 0.000 0.450 633 I N 1.225 121.911 120.570 0.193 0.000 2.151 633 I HA -0.337 3.834 4.170 0.001 0.000 0.243 633 I C 1.675 177.825 176.117 0.056 0.000 1.080 633 I CA 1.496 62.908 61.300 0.188 0.000 1.339 633 I CB -0.414 37.750 38.000 0.274 0.000 1.039 633 I HN 0.085 nan 8.210 nan 0.000 0.409 634 N N 0.526 119.252 118.700 0.043 0.000 2.396 634 N HA -0.015 4.725 4.740 0.001 0.000 0.180 634 N C 1.758 177.236 175.510 -0.053 0.000 1.028 634 N CA 0.771 53.819 53.050 -0.004 0.000 0.893 634 N CB -0.041 38.457 38.487 0.017 0.000 0.967 634 N HN 0.339 nan 8.380 nan 0.000 0.440 635 I N 0.054 120.571 120.570 -0.089 0.000 2.333 635 I HA -0.146 4.025 4.170 0.001 0.000 0.246 635 I C 2.194 178.138 176.117 -0.288 0.000 1.106 635 I CA 0.543 61.733 61.300 -0.182 0.000 1.411 635 I CB -0.185 37.678 38.000 -0.229 0.000 1.082 635 I HN 0.132 nan 8.210 nan 0.000 0.420 636 A N 0.401 122.983 122.820 -0.396 0.000 1.877 636 A HA -0.158 4.163 4.320 0.001 0.000 0.216 636 A C 2.433 179.960 177.584 -0.095 0.000 1.186 636 A CA 1.671 53.446 52.037 -0.437 0.000 0.620 636 A CB -0.954 17.525 19.000 -0.868 0.000 0.822 636 A HN 0.219 nan 8.150 nan 0.000 0.443 637 V N 0.075 119.960 119.914 -0.047 0.000 2.295 637 V HA -0.248 3.873 4.120 0.001 0.000 0.246 637 V C 2.557 178.632 176.094 -0.032 0.000 1.049 637 V CA 2.045 64.349 62.300 0.007 0.000 1.024 637 V CB -0.645 31.127 31.823 -0.086 0.000 0.648 637 V HN 0.580 nan 8.190 nan 0.000 0.447 638 L N -1.455 119.718 121.223 -0.082 0.000 2.201 638 L HA -0.175 4.166 4.340 0.001 0.000 0.212 638 L C 2.404 179.288 176.870 0.023 0.000 1.105 638 L CA 1.529 56.328 54.840 -0.070 0.000 0.775 638 L CB -0.619 41.398 42.059 -0.070 0.000 0.913 638 L HN 0.457 nan 8.230 nan 0.000 0.440 639 Y N 0.628 120.863 120.300 -0.108 0.000 2.109 639 Y HA -0.230 4.321 4.550 0.001 0.000 0.285 639 Y C 2.788 178.671 175.900 -0.028 0.000 1.131 639 Y CA 1.618 59.648 58.100 -0.118 0.000 1.121 639 Y CB -0.428 37.881 38.460 -0.250 0.000 0.987 639 Y HN 0.014 nan 8.280 nan 0.000 0.495 640 S N 0.586 116.205 115.700 -0.134 0.000 2.365 640 S HA -0.213 4.258 4.470 0.001 0.000 0.225 640 S C 1.799 176.368 174.600 -0.052 0.000 1.039 640 S CA 1.754 59.871 58.200 -0.139 0.000 1.033 640 S CB -0.822 62.429 63.200 0.085 0.000 0.887 640 S HN 0.424 nan 8.310 nan 0.000 0.447 641 F N 1.602 121.472 119.950 -0.133 0.000 2.014 641 F HA -0.126 4.402 4.527 0.001 0.000 0.295 641 F C 2.737 178.462 175.800 -0.125 0.000 1.145 641 F CA 1.348 59.296 58.000 -0.087 0.000 1.178 641 F CB -1.139 37.841 39.000 -0.034 0.000 0.972 641 F HN 0.154 nan 8.300 nan 0.000 0.476 642 Q N -0.647 119.199 119.800 0.077 0.000 2.268 642 Q HA -0.207 4.134 4.340 0.001 0.000 0.210 642 Q C 2.330 178.261 176.000 -0.115 0.000 0.988 642 Q CA 1.849 57.635 55.803 -0.028 0.000 0.883 642 Q CB -0.355 28.362 28.738 -0.034 0.000 0.911 642 Q HN 0.252 nan 8.270 nan 0.000 0.430 643 S N 0.071 115.637 115.700 -0.224 0.000 2.395 643 S HA -0.065 4.405 4.470 0.001 0.000 0.225 643 S C 0.669 175.161 174.600 -0.181 0.000 1.027 643 S CA 0.736 58.775 58.200 -0.270 0.000 0.965 643 S CB 0.150 63.046 63.200 -0.508 0.000 0.812 643 S HN 0.311 nan 8.310 nan 0.000 0.482 644 D N 1.350 121.647 120.400 -0.171 0.000 2.370 644 D HA 0.142 4.782 4.640 0.001 0.000 0.230 644 D C 0.160 176.387 176.300 -0.122 0.000 1.143 644 D CA 0.087 53.999 54.000 -0.147 0.000 0.834 644 D CB 0.011 40.700 40.800 -0.185 0.000 0.944 644 D HN 0.230 nan 8.370 nan 0.000 0.504 645 K N -0.767 119.574 120.400 -0.099 0.000 2.960 645 K HA -0.165 4.155 4.320 0.001 0.000 0.259 645 K C -0.296 176.262 176.600 -0.070 0.000 1.025 645 K CA 0.338 56.579 56.287 -0.077 0.000 0.756 645 K CB -2.036 30.420 32.500 -0.073 0.000 1.221 645 K HN 0.113 nan 8.250 nan 0.000 0.483 646 V N 1.688 121.560 119.914 -0.069 0.000 2.432 646 V HA 0.082 4.203 4.120 0.001 0.000 0.275 646 V C 1.021 177.182 176.094 0.113 0.000 1.043 646 V CA -0.440 61.835 62.300 -0.041 0.000 0.925 646 V CB 1.569 33.248 31.823 -0.240 0.000 0.985 646 V HN 0.145 nan 8.190 nan 0.000 0.466 647 T N 6.697 121.286 114.554 0.059 0.000 2.933 647 T HA 0.393 4.744 4.350 0.001 0.000 0.306 647 T C -0.206 174.605 174.700 0.184 0.000 1.045 647 T CA 0.890 62.978 62.100 -0.020 0.000 1.143 647 T CB 0.016 68.732 68.868 -0.254 0.000 1.003 647 T HN 0.615 nan 8.240 nan 0.000 0.540 648 I N 2.171 122.779 120.570 0.063 0.000 2.793 648 I HA 0.524 4.695 4.170 0.001 0.000 0.295 648 I C -1.719 174.440 176.117 0.071 0.000 1.610 648 I CA -0.852 60.524 61.300 0.126 0.000 0.986 648 I CB 1.711 39.694 38.000 -0.029 0.000 1.402 648 I HN 0.448 nan 8.210 nan 0.000 0.500 649 V N 4.990 124.993 119.914 0.149 0.000 2.709 649 V HA 0.502 4.622 4.120 0.001 0.000 0.308 649 V C -1.252 174.872 176.094 0.050 0.000 1.062 649 V CA -0.262 62.114 62.300 0.126 0.000 0.901 649 V CB 2.291 34.276 31.823 0.270 0.000 1.003 649 V HN 0.848 nan 8.190 nan 0.000 0.425 650 D N 3.863 124.259 120.400 -0.007 0.000 2.313 650 D HA 0.209 4.849 4.640 0.001 0.000 0.247 650 D C 1.342 177.566 176.300 -0.126 0.000 1.094 650 D CA -0.029 53.911 54.000 -0.099 0.000 0.925 650 D CB 0.556 41.261 40.800 -0.159 0.000 1.188 650 D HN 0.756 nan 8.370 nan 0.000 0.430 651 H N 0.740 119.735 119.070 -0.125 0.000 2.492 651 H HA -0.201 4.356 4.556 0.001 0.000 0.296 651 H C 0.681 175.910 175.328 -0.165 0.000 1.095 651 H CA 1.268 57.212 56.048 -0.174 0.000 1.281 651 H CB -0.402 29.201 29.762 -0.264 0.000 1.374 651 H HN 0.540 nan 8.280 nan 0.000 0.545 652 H N 1.099 120.022 119.070 -0.245 0.000 2.343 652 H HA 0.034 4.591 4.556 0.001 0.000 0.303 652 H C 2.399 177.724 175.328 -0.005 0.000 1.068 652 H CA 1.344 57.339 56.048 -0.089 0.000 1.359 652 H CB 0.123 29.791 29.762 -0.157 0.000 1.402 652 H HN 0.366 nan 8.280 nan 0.000 0.515 653 S N 0.898 116.658 115.700 0.100 0.000 2.383 653 S HA -0.069 4.402 4.470 0.001 0.000 0.227 653 S C 2.456 177.129 174.600 0.121 0.000 1.026 653 S CA 0.777 59.036 58.200 0.098 0.000 0.981 653 S CB -0.224 63.021 63.200 0.076 0.000 0.818 653 S HN 0.498 nan 8.310 nan 0.000 0.472 654 A N 2.191 125.081 122.820 0.117 0.000 1.845 654 A HA -0.159 4.161 4.320 0.001 0.000 0.215 654 A C 2.514 180.202 177.584 0.174 0.000 1.195 654 A CA 2.354 54.478 52.037 0.144 0.000 0.616 654 A CB -1.671 17.399 19.000 0.118 0.000 0.832 654 A HN 0.627 nan 8.150 nan 0.000 0.443 655 T N -1.850 112.797 114.554 0.155 0.000 2.788 655 T HA -0.172 4.179 4.350 0.001 0.000 0.268 655 T C 1.675 176.507 174.700 0.220 0.000 1.044 655 T CA 1.765 63.983 62.100 0.195 0.000 1.139 655 T CB -0.333 68.623 68.868 0.147 0.000 0.867 655 T HN 0.489 nan 8.240 nan 0.000 0.454 656 E N 1.811 122.117 120.200 0.176 0.000 2.110 656 E HA -0.078 4.272 4.350 0.001 0.000 0.193 656 E C 2.280 178.966 176.600 0.143 0.000 0.988 656 E CA 1.575 58.064 56.400 0.149 0.000 0.804 656 E CB -0.776 28.996 29.700 0.121 0.000 0.745 656 E HN 0.548 nan 8.360 nan 0.000 0.458 657 S N -0.495 115.302 115.700 0.162 0.000 2.387 657 S HA -0.019 4.451 4.470 0.001 0.000 0.226 657 S C 1.469 176.184 174.600 0.193 0.000 1.026 657 S CA 0.724 59.018 58.200 0.156 0.000 0.972 657 S CB -0.482 62.812 63.200 0.158 0.000 0.814 657 S HN 0.444 nan 8.310 nan 0.000 0.477 658 F N 2.296 122.318 119.950 0.120 0.000 2.269 658 F HA -0.045 4.482 4.527 0.001 0.000 0.301 658 F C 1.679 177.579 175.800 0.168 0.000 1.082 658 F CA 0.716 58.810 58.000 0.158 0.000 1.360 658 F CB -0.183 38.890 39.000 0.121 0.000 1.041 658 F HN 0.091 nan 8.300 nan 0.000 0.512 659 I N 0.746 121.347 120.570 0.051 0.000 2.163 659 I HA -0.252 3.918 4.170 0.001 0.000 0.240 659 I C 2.206 178.277 176.117 -0.077 0.000 1.081 659 I CA 1.411 62.695 61.300 -0.027 0.000 1.353 659 I CB -1.218 36.834 38.000 0.087 0.000 1.054 659 I HN 0.155 nan 8.210 nan 0.000 0.407 660 K N -0.398 120.000 120.400 -0.004 0.000 2.152 660 K HA -0.255 4.065 4.320 0.001 0.000 0.206 660 K C 2.112 178.699 176.600 -0.022 0.000 1.048 660 K CA 1.514 57.800 56.287 -0.002 0.000 0.933 660 K CB -0.491 32.030 32.500 0.035 0.000 0.721 660 K HN 0.365 nan 8.250 nan 0.000 0.447 661 H N 1.229 120.216 119.070 -0.137 0.000 2.293 661 H HA -0.004 4.552 4.556 0.001 0.000 0.300 661 H C 2.066 177.255 175.328 -0.231 0.000 1.082 661 H CA 1.767 57.715 56.048 -0.166 0.000 1.308 661 H CB -0.130 29.521 29.762 -0.186 0.000 1.375 661 H HN 0.014 nan 8.280 nan 0.000 0.495 662 M N 0.296 119.522 119.600 -0.624 0.000 2.073 662 M HA -0.208 4.273 4.480 0.001 0.000 0.258 662 M C 2.182 178.405 176.300 -0.129 0.000 1.070 662 M CA 2.290 57.289 55.300 -0.501 0.000 1.103 662 M CB -0.202 32.165 32.600 -0.389 0.000 1.321 662 M HN 0.503 nan 8.290 nan 0.000 0.405 663 E N -0.400 119.742 120.200 -0.096 0.000 2.118 663 E HA -0.233 4.118 4.350 0.001 0.000 0.195 663 E C 1.591 178.184 176.600 -0.013 0.000 0.992 663 E CA 1.424 57.812 56.400 -0.020 0.000 0.804 663 E CB -0.505 29.168 29.700 -0.047 0.000 0.741 663 E HN 0.635 nan 8.360 nan 0.000 0.458 664 N N 0.244 118.902 118.700 -0.069 0.000 2.142 664 N HA -0.147 4.593 4.740 0.001 0.000 0.186 664 N C 1.820 177.278 175.510 -0.086 0.000 1.023 664 N CA 0.568 53.588 53.050 -0.050 0.000 0.852 664 N CB 0.282 38.759 38.487 -0.016 0.000 0.998 664 N HN 0.033 nan 8.380 nan 0.000 0.424 665 E N -0.052 120.024 120.200 -0.207 0.000 2.106 665 E HA -0.172 4.179 4.350 0.001 0.000 0.192 665 E C 1.451 177.884 176.600 -0.279 0.000 0.984 665 E CA 0.926 57.148 56.400 -0.297 0.000 0.806 665 E CB -0.264 29.116 29.700 -0.533 0.000 0.750 665 E HN 0.565 nan 8.360 nan 0.000 0.458 666 Y N 0.732 120.926 120.300 -0.176 0.000 2.242 666 Y HA -0.172 4.379 4.550 0.001 0.000 0.291 666 Y C 2.650 178.484 175.900 -0.109 0.000 1.137 666 Y CA 1.428 59.452 58.100 -0.127 0.000 1.181 666 Y CB -0.059 38.332 38.460 -0.115 0.000 0.989 666 Y HN -0.044 nan 8.280 nan 0.000 0.527 667 R N 0.516 121.034 120.500 0.030 0.000 2.061 667 R HA -0.150 4.191 4.340 0.001 0.000 0.230 667 R C 2.482 178.761 176.300 -0.035 0.000 1.140 667 R CA 2.238 58.336 56.100 -0.004 0.000 0.940 667 R CB -1.302 28.995 30.300 -0.006 0.000 0.839 667 R HN 0.495 nan 8.270 nan 0.000 0.429 668 C N -1.049 118.222 119.300 -0.048 0.000 2.505 668 C HA 0.327 4.788 4.460 0.001 0.000 0.279 668 C C 2.616 177.560 174.990 -0.076 0.000 1.316 668 C CA 0.477 59.466 59.018 -0.048 0.000 1.720 668 C CB -0.729 26.999 27.740 -0.021 0.000 2.050 668 C HN 0.503 nan 8.230 nan 0.000 0.493 669 R N 0.711 121.137 120.500 -0.124 0.000 2.156 669 R HA 0.282 4.623 4.340 0.001 0.000 0.207 669 R C 1.687 177.880 176.300 -0.180 0.000 1.040 669 R CA 1.022 57.027 56.100 -0.158 0.000 1.013 669 R CB 0.023 30.190 30.300 -0.222 0.000 0.931 669 R HN 0.770 nan 8.270 nan 0.000 0.465 670 G N -0.650 108.027 108.800 -0.206 0.000 2.134 670 G HA2 -0.125 3.835 3.960 0.001 0.000 0.209 670 G HA3 -0.125 3.835 3.960 0.001 0.000 0.209 670 G C 0.068 174.779 174.900 -0.316 0.000 0.993 670 G CA -0.073 44.908 45.100 -0.198 0.000 0.669 670 G HN 0.795 nan 8.290 nan 0.000 0.519 671 G N -2.313 106.097 108.800 -0.651 0.000 2.320 671 G HA2 0.555 4.516 3.960 0.001 0.000 0.297 671 G HA3 0.555 4.516 3.960 0.001 0.000 0.297 671 G C -0.874 173.493 174.900 -0.889 0.000 1.344 671 G CA 0.421 44.929 45.100 -0.987 0.000 0.851 671 G HN 1.868 nan 8.290 nan 0.000 0.567 672 C N 2.152 121.073 119.300 -0.632 0.000 3.226 672 C HA 0.557 5.018 4.460 0.001 0.000 0.365 672 C C -2.579 172.259 174.990 -0.252 0.000 1.027 672 C CA -1.060 57.724 59.018 -0.391 0.000 1.319 672 C CB 0.512 28.021 27.740 -0.386 0.000 1.718 672 C HN 0.693 nan 8.230 nan 0.000 0.554 673 P HA 0.351 nan 4.420 nan 0.000 0.262 673 P C -0.403 176.773 177.300 -0.207 0.000 1.199 673 P CA 0.886 63.575 63.100 -0.686 0.000 0.763 673 P CB 0.938 32.031 31.700 -1.012 0.000 0.790 674 A N 2.910 125.696 122.820 -0.056 0.000 2.515 674 A HA 0.456 4.776 4.320 0.001 0.000 0.298 674 A C -1.012 176.619 177.584 0.079 0.000 1.059 674 A CA -0.571 51.519 52.037 0.088 0.000 0.698 674 A CB 1.443 20.634 19.000 0.319 0.000 1.289 674 A HN 0.459 nan 8.150 nan 0.000 0.404 675 D N 1.591 122.026 120.400 0.058 0.000 2.454 675 D HA 0.144 4.784 4.640 0.001 0.000 0.225 675 D C 0.717 177.134 176.300 0.194 0.000 1.081 675 D CA -0.522 53.548 54.000 0.117 0.000 0.864 675 D CB 0.426 41.258 40.800 0.053 0.000 1.040 675 D HN 0.584 nan 8.370 nan 0.000 0.517 676 W N 3.826 125.164 121.300 0.063 0.000 2.302 676 W HA -0.300 4.361 4.660 0.001 0.000 0.320 676 W C 1.812 178.371 176.519 0.066 0.000 1.241 676 W CA 1.532 58.906 57.345 0.048 0.000 1.264 676 W CB -0.134 29.336 29.460 0.017 0.000 1.154 676 W HN 0.322 nan 8.180 nan 0.000 0.483 677 V N -0.660 119.539 119.914 0.475 0.000 2.546 677 V HA -0.317 3.804 4.120 0.001 0.000 0.254 677 V C 1.459 177.671 176.094 0.196 0.000 1.076 677 V CA 2.056 64.577 62.300 0.368 0.000 1.087 677 V CB -0.982 31.070 31.823 0.382 0.000 0.674 677 V HN 0.337 nan 8.190 nan 0.000 0.470 678 W N -1.679 119.600 121.300 -0.034 0.000 2.735 678 W HA 0.312 4.972 4.660 0.001 0.000 0.264 678 W C 2.092 178.505 176.519 -0.177 0.000 1.233 678 W CA -0.253 57.045 57.345 -0.077 0.000 1.408 678 W CB 0.024 29.461 29.460 -0.039 0.000 1.038 678 W HN 0.047 nan 8.180 nan 0.000 0.603 679 I N 0.190 120.731 120.570 -0.048 0.000 2.394 679 I HA -0.082 4.089 4.170 0.001 0.000 0.251 679 I C 0.631 176.552 176.117 -0.326 0.000 1.136 679 I CA 0.877 62.021 61.300 -0.260 0.000 1.425 679 I CB -1.545 36.230 38.000 -0.376 0.000 1.079 679 I HN -0.406 nan 8.210 nan 0.000 0.425 680 V N 3.391 123.031 119.914 -0.458 0.000 2.530 680 V HA 0.151 4.271 4.120 0.001 0.000 0.282 680 V C -1.893 174.018 176.094 -0.304 0.000 1.048 680 V CA -1.289 60.722 62.300 -0.482 0.000 0.997 680 V CB 0.475 31.757 31.823 -0.902 0.000 0.987 680 V HN 0.104 nan 8.190 nan 0.000 0.477 681 P HA 0.101 nan 4.420 nan 0.000 0.268 681 P C -1.956 175.202 177.300 -0.237 0.000 1.208 681 P CA -0.926 62.038 63.100 -0.227 0.000 0.777 681 P CB 0.061 31.608 31.700 -0.255 0.000 0.875 682 P HA 0.043 nan 4.420 nan 0.000 0.256 682 P C -0.235 176.946 177.300 -0.198 0.000 1.335 682 P CA 0.838 63.818 63.100 -0.200 0.000 0.808 682 P CB -0.142 31.442 31.700 -0.193 0.000 1.305 683 M N -4.883 114.562 119.600 -0.259 0.000 2.562 683 M HA 0.404 4.884 4.480 0.001 0.000 0.281 683 M C -0.704 175.415 176.300 -0.301 0.000 1.195 683 M CA -0.521 54.627 55.300 -0.254 0.000 0.888 683 M CB 1.459 33.897 32.600 -0.270 0.000 1.731 683 M HN -0.345 nan 8.290 nan 0.000 0.493 684 S N 0.827 116.414 115.700 -0.189 0.000 3.486 684 S HA -0.178 4.293 4.470 0.001 0.000 0.371 684 S C 1.069 175.590 174.600 -0.131 0.000 1.001 684 S CA 0.949 59.075 58.200 -0.123 0.000 1.164 684 S CB -1.719 61.455 63.200 -0.043 0.000 0.911 684 S HN 1.162 nan 8.310 nan 0.000 0.472 685 G N 1.975 110.684 108.800 -0.152 0.000 2.446 685 G HA2 -0.242 3.719 3.960 0.001 0.000 0.217 685 G HA3 -0.242 3.719 3.960 0.001 0.000 0.217 685 G C 1.448 176.221 174.900 -0.212 0.000 1.168 685 G CA 1.190 46.218 45.100 -0.119 0.000 0.771 685 G HN 1.033 nan 8.290 nan 0.000 0.551 686 S N 0.923 116.282 115.700 -0.568 0.000 2.474 686 S HA -0.037 4.433 4.470 0.001 0.000 0.235 686 S C 2.165 176.702 174.600 -0.105 0.000 0.997 686 S CA 1.022 58.710 58.200 -0.854 0.000 0.949 686 S CB -0.375 62.217 63.200 -1.013 0.000 0.766 686 S HN 0.722 nan 8.310 nan 0.000 0.517 687 I N 0.925 121.496 120.570 0.002 0.000 3.793 687 I HA 0.194 4.364 4.170 0.001 0.000 0.315 687 I C 0.340 176.595 176.117 0.229 0.000 1.275 687 I CA -0.084 61.302 61.300 0.144 0.000 1.214 687 I CB -0.629 37.459 38.000 0.146 0.000 1.018 687 I HN 0.200 nan 8.210 nan 0.000 0.439 688 T N -1.075 113.599 114.554 0.199 0.000 2.824 688 T HA 0.432 4.783 4.350 0.001 0.000 0.280 688 T C -1.395 173.462 174.700 0.262 0.000 0.995 688 T CA -2.009 60.227 62.100 0.227 0.000 1.009 688 T CB 1.642 70.594 68.868 0.141 0.000 0.955 688 T HN -0.044 nan 8.240 nan 0.000 0.452 689 P HA -0.134 nan 4.420 nan 0.000 0.220 689 P C 1.669 179.155 177.300 0.309 0.000 1.144 689 P CA 1.009 64.299 63.100 0.316 0.000 0.800 689 P CB -0.273 31.564 31.700 0.228 0.000 0.772 690 V N -4.003 116.048 119.914 0.229 0.000 2.667 690 V HA -0.156 3.964 4.120 0.001 0.000 0.252 690 V C 2.410 178.592 176.094 0.146 0.000 1.065 690 V CA 1.057 63.464 62.300 0.178 0.000 1.083 690 V CB -2.175 29.689 31.823 0.069 0.000 0.692 690 V HN -0.097 nan 8.190 nan 0.000 0.468 691 F N 2.070 121.989 119.950 -0.052 0.000 2.161 691 F HA -0.164 4.364 4.527 0.001 0.000 0.300 691 F C 2.347 178.251 175.800 0.172 0.000 1.089 691 F CA 2.088 60.078 58.000 -0.016 0.000 1.282 691 F CB -0.327 38.528 39.000 -0.242 0.000 1.010 691 F HN 0.285 nan 8.300 nan 0.000 0.485 692 H N -0.677 118.725 119.070 0.553 0.000 2.524 692 H HA 0.155 4.711 4.556 0.001 0.000 0.280 692 H C 0.109 175.673 175.328 0.393 0.000 1.018 692 H CA 0.137 56.458 56.048 0.454 0.000 1.165 692 H CB -0.267 29.753 29.762 0.429 0.000 1.411 692 H HN 0.294 nan 8.280 nan 0.000 0.569 693 Q N 1.723 121.786 119.800 0.438 0.000 2.293 693 Q HA 0.200 4.541 4.340 0.001 0.000 0.261 693 Q C -0.670 175.552 176.000 0.370 0.000 0.960 693 Q CA -0.570 55.443 55.803 0.349 0.000 0.882 693 Q CB 1.298 30.208 28.738 0.286 0.000 1.275 693 Q HN 0.220 nan 8.270 nan 0.000 0.445 694 E N 3.624 123.982 120.200 0.263 0.000 2.331 694 E HA 0.367 4.717 4.350 0.001 0.000 0.272 694 E C -0.659 176.072 176.600 0.219 0.000 1.036 694 E CA -0.107 56.422 56.400 0.214 0.000 0.864 694 E CB 1.100 30.898 29.700 0.164 0.000 1.035 694 E HN 0.587 nan 8.360 nan 0.000 0.408 695 M N 2.896 122.641 119.600 0.242 0.000 2.263 695 M HA 0.320 4.801 4.480 0.001 0.000 0.295 695 M C -0.987 175.436 176.300 0.204 0.000 1.028 695 M CA -0.541 54.913 55.300 0.257 0.000 0.921 695 M CB 1.755 34.555 32.600 0.333 0.000 1.601 695 M HN 0.239 nan 8.290 nan 0.000 0.440 696 L N 3.059 124.414 121.223 0.220 0.000 2.260 696 L HA 0.365 4.706 4.340 0.001 0.000 0.289 696 L C -0.190 176.786 176.870 0.177 0.000 1.057 696 L CA -0.453 54.527 54.840 0.234 0.000 0.811 696 L CB 0.582 42.840 42.059 0.331 0.000 1.184 696 L HN 0.635 nan 8.230 nan 0.000 0.429 697 N N 4.076 122.863 118.700 0.145 0.000 2.426 697 N HA 0.474 5.214 4.740 0.001 0.000 0.275 697 N C -1.290 174.300 175.510 0.133 0.000 1.019 697 N CA -0.161 52.904 53.050 0.027 0.000 0.941 697 N CB 0.740 39.257 38.487 0.049 0.000 1.123 697 N HN 0.359 nan 8.380 nan 0.000 0.486 698 Y N -0.338 119.980 120.300 0.030 0.000 2.656 698 Y HA 0.531 5.082 4.550 0.001 0.000 0.334 698 Y C -0.835 175.060 175.900 -0.008 0.000 1.179 698 Y CA -1.282 56.830 58.100 0.019 0.000 1.050 698 Y CB 0.988 39.474 38.460 0.044 0.000 1.308 698 Y HN 0.171 nan 8.280 nan 0.000 0.456 699 R N 2.356 122.961 120.500 0.175 0.000 2.207 699 R HA 0.587 4.927 4.340 0.001 0.000 0.334 699 R C -1.205 175.145 176.300 0.083 0.000 1.013 699 R CA -0.520 55.615 56.100 0.058 0.000 0.858 699 R CB 0.936 31.240 30.300 0.007 0.000 1.094 699 R HN 0.665 nan 8.270 nan 0.000 0.457 700 L N 1.105 122.347 121.223 0.032 0.000 2.322 700 L HA 0.514 4.854 4.340 0.001 0.000 0.269 700 L C 0.330 177.198 176.870 -0.003 0.000 1.012 700 L CA -0.695 54.167 54.840 0.036 0.000 0.815 700 L CB 2.359 44.434 42.059 0.026 0.000 1.295 700 L HN 0.459 nan 8.230 nan 0.000 0.438 701 T N 1.469 116.034 114.554 0.018 0.000 2.887 701 T HA 0.495 4.845 4.350 0.001 0.000 0.288 701 T C -2.508 172.237 174.700 0.074 0.000 1.021 701 T CA -1.268 60.844 62.100 0.021 0.000 1.000 701 T CB 2.238 71.126 68.868 0.033 0.000 1.034 701 T HN 0.247 nan 8.240 nan 0.000 0.467 702 P HA 0.370 nan 4.420 nan 0.000 0.273 702 P C -1.123 176.107 177.300 -0.116 0.000 1.250 702 P CA -0.302 62.765 63.100 -0.054 0.000 0.793 702 P CB 0.587 32.227 31.700 -0.099 0.000 1.011 703 S N -0.897 114.689 115.700 -0.190 0.000 2.615 703 S HA 0.648 5.118 4.470 0.001 0.000 0.269 703 S C -1.494 172.920 174.600 -0.310 0.000 1.161 703 S CA -0.802 57.278 58.200 -0.200 0.000 0.817 703 S CB 0.643 63.791 63.200 -0.086 0.000 1.131 703 S HN 0.125 nan 8.310 nan 0.000 0.467 704 F N 1.178 121.072 119.950 -0.093 0.000 2.436 704 F HA 0.663 5.191 4.527 0.001 0.000 0.340 704 F C 0.859 176.574 175.800 -0.141 0.000 1.113 704 F CA -0.286 57.662 58.000 -0.086 0.000 1.022 704 F CB 1.541 40.470 39.000 -0.120 0.000 1.128 704 F HN 0.521 nan 8.300 nan 0.000 0.466 705 E N 1.452 121.692 120.200 0.066 0.000 2.355 705 E HA 0.334 4.685 4.350 0.001 0.000 0.261 705 E C -1.389 175.192 176.600 -0.031 0.000 0.943 705 E CA -0.877 55.487 56.400 -0.061 0.000 0.806 705 E CB 1.968 31.669 29.700 0.001 0.000 1.286 705 E HN 0.333 nan 8.360 nan 0.000 0.424 706 Y N 0.788 121.102 120.300 0.023 0.000 2.335 706 Y HA 0.244 4.795 4.550 0.001 0.000 0.323 706 Y C 0.596 176.479 175.900 -0.028 0.000 1.224 706 Y CA -0.461 57.637 58.100 -0.003 0.000 1.241 706 Y CB 1.025 39.474 38.460 -0.019 0.000 1.235 706 Y HN 0.216 nan 8.280 nan 0.000 0.492 707 Q N 1.319 121.192 119.800 0.122 0.000 2.389 707 Q HA 0.637 4.977 4.340 0.001 0.000 0.277 707 Q C -2.990 172.950 176.000 -0.099 0.000 1.082 707 Q CA -2.433 53.368 55.803 -0.004 0.000 0.810 707 Q CB 1.735 30.460 28.738 -0.021 0.000 1.374 707 Q HN 0.304 nan 8.270 nan 0.000 0.422 708 P HA -0.015 nan 4.420 nan 0.000 0.270 708 P C -0.886 176.176 177.300 -0.395 0.000 1.221 708 P CA 0.022 62.984 63.100 -0.231 0.000 0.788 708 P CB 0.354 31.933 31.700 -0.201 0.000 0.904 709 D N 2.219 122.271 120.400 -0.580 0.000 2.390 709 D HA 0.009 4.649 4.640 0.001 0.000 0.249 709 D C -1.073 174.560 176.300 -1.111 0.000 1.144 709 D CA -1.301 52.037 54.000 -1.103 0.000 0.880 709 D CB 0.325 40.156 40.800 -1.615 0.000 1.182 709 D HN 0.249 nan 8.370 nan 0.000 0.451 710 P HA -0.151 nan 4.420 nan 0.000 0.217 710 P C 1.240 177.941 177.300 -0.999 0.000 1.148 710 P CA 1.215 63.682 63.100 -1.056 0.000 0.828 710 P CB -0.098 30.709 31.700 -1.489 0.000 0.783 711 W N 0.498 121.305 121.300 -0.822 0.000 2.937 711 W HA 0.147 4.808 4.660 0.001 0.000 0.245 711 W C 0.898 177.330 176.519 -0.144 0.000 1.306 711 W CA 0.192 57.278 57.345 -0.432 0.000 1.470 711 W CB -2.249 27.105 29.460 -0.177 0.000 1.132 711 W HN -0.084 nan 8.180 nan 0.000 0.675 712 N N 0.032 118.575 118.700 -0.263 0.000 2.270 712 N HA 0.065 4.806 4.740 0.001 0.000 0.198 712 N C 0.773 176.232 175.510 -0.084 0.000 1.117 712 N CA 1.000 53.999 53.050 -0.084 0.000 0.845 712 N CB 0.355 38.751 38.487 -0.152 0.000 0.980 712 N HN 0.273 nan 8.380 nan 0.000 0.486 713 T N -4.813 109.682 114.554 -0.098 0.000 3.123 713 T HA -0.035 4.316 4.350 0.001 0.000 0.259 713 T C 0.222 174.919 174.700 -0.004 0.000 0.871 713 T CA -0.336 61.726 62.100 -0.064 0.000 0.857 713 T CB -0.203 68.595 68.868 -0.116 0.000 1.267 713 T HN 0.169 nan 8.240 nan 0.000 0.556 714 H N 2.777 121.806 119.070 -0.069 0.000 3.046 714 H HA 0.339 4.896 4.556 0.001 0.000 0.303 714 H C -0.494 174.890 175.328 0.093 0.000 1.002 714 H CA 0.202 56.267 56.048 0.029 0.000 1.460 714 H CB 0.467 30.326 29.762 0.161 0.000 1.493 714 H HN 0.071 nan 8.280 nan 0.000 0.559 715 V N 7.839 127.575 119.914 -0.297 0.000 2.614 715 V HA -0.036 4.085 4.120 0.001 0.000 0.291 715 V C 0.135 176.135 176.094 -0.156 0.000 1.049 715 V CA 0.474 62.694 62.300 -0.133 0.000 1.038 715 V CB -0.249 31.593 31.823 0.032 0.000 0.980 715 V HN 1.033 nan 8.190 nan 0.000 0.481 716 W N 0.000 121.199 121.300 -0.169 0.000 2.388 716 W HA 0.000 4.660 4.660 0.001 0.000 0.303 716 W CA 0.000 57.292 57.345 -0.088 0.000 1.226 716 W CB 0.000 29.423 29.460 -0.061 0.000 1.126 716 W HN 0.000 nan 8.180 nan 0.000 0.535