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 3bai_1_A DATA FIRST_RESID 2 DATA SEQUENCE YSPNTQQGRT SIVHLFEWRW VDIALEcERY LAPKGFGGVQ VSPPNENVAI DATA SEQUENCE YNPFRPWWER YQPVSYKLcT RSGNEDEFRN MVTRcNNVGV RIYVDAVINH DATA SEQUENCE MCGNAVSAGT SSTcGSYFNP GSRDFPAVPY SGWDFNDGKc KTGSGDIENY DATA SEQUENCE NDATQVRDcR LTGLLDLALE KDYVRSKIAE YMNHLIDIGV AGFRLDASKH DATA SEQUENCE MWPGDIKAIL DKLHNLNSNW FPAGSKPFIY QEVIDLGGEP IKSSDYFGNG DATA SEQUENCE RVTEFKYGAK LGTVIRKWNG EKMSYLKNWG EGWGFVPSDR ALVFVDNHDN DATA SEQUENCE QRGHGAGGAS ILTFWDARLY KMAVGFMLAH PYGFTRVMSS YRWPRQFQNG DATA SEQUENCE NDVNDWVGPP NNNGVIKEVT INPDTTcGND WVcEHRWRQI RNMVIFRNVV DATA SEQUENCE DGQPFTNWYD NGSNQVAFGR GNRGFIVFNN DDWSFSLTLQ TGLPAGTYcD DATA SEQUENCE VISGDKINGN cTGIKIYVSD DGKAHFSISN SAEDPFIAIH AESKL 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 2 Y HA 0.000 nan 4.550 nan 0.000 0.201 2 Y C 0.000 175.954 175.900 0.091 0.000 1.272 2 Y CA 0.000 58.197 58.100 0.162 0.000 1.940 2 Y CB 0.000 38.487 38.460 0.045 0.000 1.050 3 S N 3.875 119.637 115.700 0.103 0.000 2.513 3 S HA 0.245 4.715 4.470 -0.000 0.000 0.276 3 S C -1.901 172.396 174.600 -0.505 0.000 1.254 3 S CA -0.859 57.236 58.200 -0.175 0.000 1.053 3 S CB 1.464 64.618 63.200 -0.076 0.000 0.958 3 S HN -0.034 nan 8.310 nan 0.000 0.491 4 P HA -0.021 nan 4.420 nan 0.000 0.222 4 P C 0.045 177.116 177.300 -0.383 0.000 1.147 4 P CA 0.576 62.794 63.100 -1.470 0.000 0.790 4 P CB -0.012 30.734 31.700 -1.591 0.000 0.780 5 N N -2.546 116.037 118.700 -0.195 0.000 2.782 5 N HA -0.104 4.636 4.740 -0.000 0.000 0.251 5 N C -0.125 175.458 175.510 0.120 0.000 1.101 5 N CA 1.453 54.526 53.050 0.038 0.000 0.764 5 N CB -2.370 36.170 38.487 0.088 0.000 1.122 5 N HN 0.319 nan 8.380 nan 0.000 0.561 6 T N -1.614 112.965 114.554 0.042 0.000 2.828 6 T HA 0.348 4.698 4.350 -0.000 0.000 0.290 6 T C 0.775 175.502 174.700 0.045 0.000 1.019 6 T CA -0.705 61.445 62.100 0.083 0.000 1.031 6 T CB 1.719 70.650 68.868 0.104 0.000 1.001 6 T HN 0.297 nan 8.240 nan 0.000 0.531 7 Q N 0.694 120.510 119.800 0.026 0.000 2.306 7 Q HA 0.199 4.538 4.340 -0.000 0.000 0.241 7 Q C -0.541 175.463 176.000 0.006 0.000 0.948 7 Q CA -1.091 54.715 55.803 0.005 0.000 0.886 7 Q CB 0.510 29.236 28.738 -0.019 0.000 1.227 7 Q HN 0.481 nan 8.270 nan 0.000 0.457 8 Q N 0.598 120.398 119.800 0.001 0.000 2.436 8 Q HA -0.006 4.334 4.340 -0.000 0.000 0.326 8 Q C 0.856 176.851 176.000 -0.008 0.000 1.079 8 Q CA 1.817 57.619 55.803 -0.003 0.000 1.049 8 Q CB 0.199 28.934 28.738 -0.005 0.000 1.047 8 Q HN 1.090 nan 8.270 nan 0.000 0.386 9 G N 3.361 112.156 108.800 -0.010 0.000 2.279 9 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.223 9 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.223 9 G C 0.066 174.949 174.900 -0.029 0.000 1.015 9 G CA -0.155 44.931 45.100 -0.023 0.000 0.621 9 G HN 0.499 nan 8.290 nan 0.000 0.506 10 R N 1.292 121.786 120.500 -0.010 0.000 2.221 10 R HA 0.515 4.855 4.340 -0.000 0.000 0.327 10 R C 1.034 177.344 176.300 0.018 0.000 1.033 10 R CA 0.494 56.587 56.100 -0.012 0.000 0.887 10 R CB 0.850 31.161 30.300 0.017 0.000 1.057 10 R HN 0.358 nan 8.270 nan 0.000 0.455 11 T N -2.432 112.097 114.554 -0.043 0.000 3.132 11 T HA 0.226 4.576 4.350 -0.000 0.000 0.274 11 T C 0.300 174.799 174.700 -0.335 0.000 1.011 11 T CA -0.305 61.759 62.100 -0.061 0.000 0.899 11 T CB 0.429 69.247 68.868 -0.083 0.000 1.089 11 T HN 0.285 nan 8.240 nan 0.000 0.543 12 S N 1.251 116.780 115.700 -0.285 0.000 2.588 12 S HA 0.781 5.251 4.470 -0.000 0.000 0.275 12 S C -0.798 173.736 174.600 -0.111 0.000 1.130 12 S CA -1.088 56.856 58.200 -0.427 0.000 0.855 12 S CB 1.797 64.816 63.200 -0.301 0.000 1.116 12 S HN 0.588 nan 8.310 nan 0.000 0.472 13 I N -1.039 119.479 120.570 -0.087 0.000 2.846 13 I HA 0.924 5.094 4.170 -0.000 0.000 0.307 13 I C -0.987 175.195 176.117 0.109 0.000 1.053 13 I CA -1.088 60.284 61.300 0.120 0.000 1.050 13 I CB 1.782 39.870 38.000 0.147 0.000 1.239 13 I HN 0.441 nan 8.210 nan 0.000 0.439 14 V N 3.194 123.180 119.914 0.120 0.000 2.604 14 V HA 0.418 4.538 4.120 -0.000 0.000 0.305 14 V C -1.105 174.999 176.094 0.018 0.000 1.043 14 V CA -0.349 61.969 62.300 0.030 0.000 0.888 14 V CB 1.604 33.338 31.823 -0.149 0.000 0.995 14 V HN 0.879 nan 8.190 nan 0.000 0.429 15 H N 6.773 125.790 119.070 -0.088 0.000 2.820 15 H HA 0.411 4.967 4.556 -0.000 0.000 0.278 15 H C -0.405 174.834 175.328 -0.148 0.000 1.142 15 H CA -0.517 55.497 56.048 -0.056 0.000 1.346 15 H CB 0.485 30.243 29.762 -0.006 0.000 1.438 15 H HN 0.621 nan 8.280 nan 0.000 0.473 16 L N 7.002 128.074 121.223 -0.251 0.000 2.399 16 L HA 0.090 4.430 4.340 -0.000 0.000 0.257 16 L C 0.059 176.749 176.870 -0.300 0.000 1.236 16 L CA -0.625 53.785 54.840 -0.716 0.000 1.144 16 L CB -0.674 40.698 42.059 -1.144 0.000 1.379 16 L HN 0.482 nan 8.230 nan 0.000 0.414 17 F N 4.530 124.176 119.950 -0.507 0.000 2.539 17 F HA -0.047 4.480 4.527 -0.000 0.000 0.393 17 F C 1.364 177.375 175.800 0.352 0.000 1.032 17 F CA 0.274 58.100 58.000 -0.290 0.000 1.120 17 F CB -0.196 38.590 39.000 -0.358 0.000 1.014 17 F HN 0.528 nan 8.300 nan 0.000 0.546 18 E N 2.335 122.559 120.200 0.041 0.000 3.496 18 E HA -0.303 4.047 4.350 -0.000 0.000 0.300 18 E C -0.457 176.262 176.600 0.198 0.000 0.877 18 E CA 0.892 57.301 56.400 0.016 0.000 1.050 18 E CB -1.700 27.886 29.700 -0.190 0.000 1.532 18 E HN 0.619 nan 8.360 nan 0.000 0.447 19 W N 1.673 122.903 121.300 -0.116 0.000 2.137 19 W HA 0.185 4.845 4.660 -0.000 0.000 0.344 19 W C 1.496 177.842 176.519 -0.289 0.000 1.286 19 W CA 0.048 57.212 57.345 -0.301 0.000 1.240 19 W CB 0.260 29.546 29.460 -0.290 0.000 1.141 19 W HN -0.093 nan 8.180 nan 0.000 0.579 20 R N 1.773 122.189 120.500 -0.140 0.000 2.539 20 R HA 0.091 4.431 4.340 -0.000 0.000 0.275 20 R C 1.028 177.342 176.300 0.024 0.000 1.077 20 R CA -0.369 55.584 56.100 -0.246 0.000 1.097 20 R CB 0.530 30.711 30.300 -0.198 0.000 1.018 20 R HN 0.688 nan 8.270 nan 0.000 0.483 21 W N 0.721 122.071 121.300 0.083 0.000 2.338 21 W HA -0.238 4.422 4.660 -0.000 0.000 0.304 21 W C 1.979 178.513 176.519 0.024 0.000 1.212 21 W CA 0.245 57.628 57.345 0.065 0.000 1.264 21 W CB -0.337 29.180 29.460 0.094 0.000 1.142 21 W HN 0.438 nan 8.180 nan 0.000 0.512 22 V N 1.135 121.186 119.914 0.229 0.000 2.407 22 V HA -0.276 3.844 4.120 -0.000 0.000 0.248 22 V C 1.744 177.888 176.094 0.082 0.000 1.055 22 V CA 2.386 64.758 62.300 0.120 0.000 1.049 22 V CB -0.539 31.324 31.823 0.066 0.000 0.662 22 V HN 0.081 nan 8.190 nan 0.000 0.455 23 D N -0.235 120.200 120.400 0.058 0.000 2.183 23 D HA -0.065 4.575 4.640 -0.000 0.000 0.203 23 D C 2.062 178.492 176.300 0.216 0.000 0.969 23 D CA 1.603 55.625 54.000 0.037 0.000 0.842 23 D CB -0.024 40.661 40.800 -0.191 0.000 0.957 23 D HN 0.504 nan 8.370 nan 0.000 0.484 24 I N 1.174 121.905 120.570 0.268 0.000 2.286 24 I HA -0.191 3.979 4.170 -0.000 0.000 0.245 24 I C 2.546 178.713 176.117 0.083 0.000 1.104 24 I CA 0.623 62.042 61.300 0.198 0.000 1.397 24 I CB -0.196 37.916 38.000 0.188 0.000 1.072 24 I HN -0.103 nan 8.210 nan 0.000 0.417 25 A N 1.285 124.148 122.820 0.071 0.000 1.883 25 A HA -0.185 4.135 4.320 -0.000 0.000 0.217 25 A C 2.307 179.909 177.584 0.029 0.000 1.186 25 A CA 1.507 53.553 52.037 0.015 0.000 0.624 25 A CB -0.874 18.136 19.000 0.016 0.000 0.822 25 A HN 0.362 nan 8.150 nan 0.000 0.444 26 L N -1.163 120.093 121.223 0.055 0.000 2.017 26 L HA -0.200 4.140 4.340 -0.000 0.000 0.208 26 L C 2.678 179.596 176.870 0.079 0.000 1.073 26 L CA 1.798 56.672 54.840 0.057 0.000 0.745 26 L CB -0.487 41.603 42.059 0.050 0.000 0.894 26 L HN 0.457 nan 8.230 nan 0.000 0.432 27 E N -0.375 119.894 120.200 0.114 0.000 2.118 27 E HA -0.219 4.131 4.350 -0.000 0.000 0.195 27 E C 2.242 178.893 176.600 0.085 0.000 0.992 27 E CA 1.465 57.947 56.400 0.135 0.000 0.804 27 E CB -0.238 29.561 29.700 0.164 0.000 0.741 27 E HN 0.435 nan 8.360 nan 0.000 0.458 28 c N 0.529 119.147 118.600 0.029 0.000 2.432 28 c HA -0.114 4.456 4.570 -0.000 0.000 0.277 28 c C 2.335 176.440 174.090 0.025 0.000 1.249 28 c CA 1.241 57.571 56.329 0.001 0.000 1.725 28 c CB -0.891 41.592 42.510 -0.045 0.000 2.028 28 c HN 0.549 nan 8.230 nan 0.000 0.477 29 E N 0.544 120.762 120.200 0.030 0.000 2.046 29 E HA -0.176 4.174 4.350 -0.000 0.000 0.190 29 E C 2.335 178.969 176.600 0.056 0.000 0.982 29 E CA 1.041 57.460 56.400 0.033 0.000 0.800 29 E CB -0.300 29.415 29.700 0.026 0.000 0.756 29 E HN 0.702 nan 8.360 nan 0.000 0.449 30 R N -0.754 119.799 120.500 0.087 0.000 2.200 30 R HA -0.040 4.300 4.340 -0.000 0.000 0.208 30 R C 1.287 177.699 176.300 0.187 0.000 1.033 30 R CA 1.119 57.289 56.100 0.117 0.000 1.000 30 R CB -0.000 30.371 30.300 0.119 0.000 0.906 30 R HN 0.240 nan 8.270 nan 0.000 0.462 31 Y N 0.111 120.435 120.300 0.040 0.000 3.012 31 Y HA 0.261 4.811 4.550 -0.000 0.000 0.236 31 Y C 1.862 177.803 175.900 0.067 0.000 1.017 31 Y CA -0.196 57.935 58.100 0.052 0.000 1.364 31 Y CB 0.208 38.692 38.460 0.040 0.000 1.491 31 Y HN -0.175 nan 8.280 nan 0.000 0.435 32 L N 0.477 121.798 121.223 0.165 0.000 1.990 32 L HA -0.267 4.072 4.340 -0.000 0.000 0.213 32 L C 2.615 179.573 176.870 0.146 0.000 1.072 32 L CA 1.742 56.640 54.840 0.097 0.000 0.755 32 L CB -1.055 41.001 42.059 -0.005 0.000 0.889 32 L HN 0.387 nan 8.230 nan 0.000 0.432 33 A N 0.304 123.164 122.820 0.068 0.000 1.845 33 A HA -0.109 4.211 4.320 -0.000 0.000 0.215 33 A C 0.186 177.785 177.584 0.024 0.000 1.195 33 A CA 1.643 53.706 52.037 0.043 0.000 0.616 33 A CB -1.868 17.141 19.000 0.015 0.000 0.832 33 A HN 0.282 nan 8.150 nan 0.000 0.443 34 P HA -0.138 nan 4.420 nan 0.000 0.216 34 P C 0.879 178.143 177.300 -0.060 0.000 1.153 34 P CA 1.452 64.531 63.100 -0.035 0.000 0.858 34 P CB -0.001 31.670 31.700 -0.048 0.000 0.789 35 K N -1.726 118.620 120.400 -0.090 0.000 2.487 35 K HA 0.276 4.596 4.320 -0.000 0.000 0.192 35 K C 1.147 177.736 176.600 -0.018 0.000 1.027 35 K CA 0.677 56.921 56.287 -0.072 0.000 1.054 35 K CB -0.858 31.540 32.500 -0.170 0.000 0.824 35 K HN 0.146 nan 8.250 nan 0.000 0.510 36 G N 0.370 109.183 108.800 0.022 0.000 2.137 36 G HA2 -0.262 3.697 3.960 -0.000 0.000 0.237 36 G HA3 -0.262 3.697 3.960 -0.000 0.000 0.237 36 G C -0.249 174.607 174.900 -0.072 0.000 1.002 36 G CA -0.435 44.641 45.100 -0.040 0.000 0.702 36 G HN 0.175 nan 8.290 nan 0.000 0.515 37 F N 0.460 120.401 119.950 -0.016 0.000 2.429 37 F HA 0.509 5.036 4.527 -0.000 0.000 0.348 37 F C 1.805 177.614 175.800 0.015 0.000 1.109 37 F CA 0.887 58.892 58.000 0.008 0.000 1.232 37 F CB 1.383 40.402 39.000 0.032 0.000 1.157 37 F HN 0.000 nan 8.300 nan 0.000 0.564 38 G N 1.326 110.229 108.800 0.172 0.000 2.430 38 G HA2 0.398 4.358 3.960 -0.000 0.000 0.216 38 G HA3 0.398 4.358 3.960 -0.000 0.000 0.216 38 G C 0.483 175.514 174.900 0.218 0.000 1.146 38 G CA 0.673 45.873 45.100 0.166 0.000 0.793 38 G HN 1.016 nan 8.290 nan 0.000 0.537 39 G N -2.045 106.917 108.800 0.271 0.000 2.488 39 G HA2 0.462 4.422 3.960 -0.000 0.000 0.301 39 G HA3 0.462 4.422 3.960 -0.000 0.000 0.301 39 G C -2.195 172.848 174.900 0.238 0.000 1.339 39 G CA -0.256 45.016 45.100 0.285 0.000 0.803 39 G HN 0.474 nan 8.290 nan 0.000 0.482 40 V N 0.457 120.496 119.914 0.209 0.000 2.638 40 V HA 0.490 4.610 4.120 -0.000 0.000 0.306 40 V C -0.342 175.902 176.094 0.250 0.000 1.052 40 V CA -0.742 61.633 62.300 0.126 0.000 0.885 40 V CB 1.774 33.575 31.823 -0.036 0.000 0.999 40 V HN 0.711 nan 8.190 nan 0.000 0.424 41 Q N 2.610 122.560 119.800 0.249 0.000 2.274 41 Q HA 0.534 4.874 4.340 -0.000 0.000 0.256 41 Q C -0.439 175.749 176.000 0.312 0.000 0.927 41 Q CA -0.280 55.691 55.803 0.280 0.000 0.939 41 Q CB 2.041 30.861 28.738 0.137 0.000 1.201 41 Q HN 0.789 nan 8.270 nan 0.000 0.426 42 V N 0.126 120.212 119.914 0.287 0.000 2.966 42 V HA 0.576 4.696 4.120 -0.000 0.000 0.317 42 V C 0.221 176.585 176.094 0.450 0.000 1.070 42 V CA -0.840 61.697 62.300 0.395 0.000 1.008 42 V CB 1.817 33.855 31.823 0.359 0.000 1.070 42 V HN 0.627 nan 8.190 nan 0.000 0.457 43 S N 2.347 118.372 115.700 0.541 0.000 2.614 43 S HA 0.396 4.866 4.470 -0.000 0.000 0.265 43 S C -2.432 172.393 174.600 0.376 0.000 1.303 43 S CA -0.516 57.946 58.200 0.437 0.000 1.000 43 S CB 0.359 63.766 63.200 0.346 0.000 0.935 43 S HN 0.834 nan 8.310 nan 0.000 0.551 44 P HA 0.013 nan 4.420 nan 0.000 0.257 44 P C -1.866 175.579 177.300 0.241 0.000 1.162 44 P CA -0.560 62.615 63.100 0.126 0.000 0.762 44 P CB 0.072 31.707 31.700 -0.108 0.000 0.753 45 P HA -0.047 nan 4.420 nan 0.000 0.249 45 P C -0.205 177.182 177.300 0.144 0.000 1.229 45 P CA 0.613 63.876 63.100 0.271 0.000 0.788 45 P CB 0.233 31.792 31.700 -0.235 0.000 1.072 46 N N 0.671 119.435 118.700 0.107 0.000 2.508 46 N HA 0.051 4.791 4.740 -0.000 0.000 0.285 46 N C -0.190 175.297 175.510 -0.037 0.000 1.144 46 N CA -0.482 52.575 53.050 0.012 0.000 0.978 46 N CB 1.360 39.785 38.487 -0.103 0.000 1.180 46 N HN -0.032 nan 8.380 nan 0.000 0.484 47 E N 0.620 120.778 120.200 -0.070 0.000 2.529 47 E HA -0.107 4.243 4.350 -0.000 0.000 0.259 47 E C -0.405 176.106 176.600 -0.149 0.000 0.966 47 E CA 0.045 56.388 56.400 -0.093 0.000 0.937 47 E CB 0.267 29.910 29.700 -0.095 0.000 0.923 47 E HN 0.740 nan 8.360 nan 0.000 0.468 48 N N 1.966 120.580 118.700 -0.145 0.000 2.629 48 N HA 0.247 4.987 4.740 -0.000 0.000 0.279 48 N C -0.945 174.440 175.510 -0.209 0.000 1.344 48 N CA -0.778 52.167 53.050 -0.175 0.000 0.789 48 N CB 1.036 39.444 38.487 -0.132 0.000 1.508 48 N HN 0.196 nan 8.380 nan 0.000 0.516 49 V N 0.318 120.100 119.914 -0.220 0.000 2.572 49 V HA 0.324 4.444 4.120 -0.000 0.000 0.291 49 V C 0.687 176.700 176.094 -0.135 0.000 1.039 49 V CA -0.552 61.632 62.300 -0.194 0.000 1.055 49 V CB 0.459 32.219 31.823 -0.105 0.000 0.969 49 V HN 0.828 nan 8.190 nan 0.000 0.482 50 A N 7.119 129.881 122.820 -0.096 0.000 2.279 50 A HA 0.643 4.962 4.320 -0.000 0.000 0.306 50 A C -0.291 177.123 177.584 -0.283 0.000 1.300 50 A CA -0.316 51.581 52.037 -0.233 0.000 0.925 50 A CB -0.255 18.659 19.000 -0.144 0.000 1.152 50 A HN 0.776 nan 8.150 nan 0.000 0.544 51 I N 2.589 122.907 120.570 -0.420 0.000 2.336 51 I HA 0.223 4.393 4.170 -0.000 0.000 0.292 51 I C -0.123 175.669 176.117 -0.542 0.000 0.991 51 I CA -0.129 60.975 61.300 -0.327 0.000 1.227 51 I CB 1.289 39.134 38.000 -0.258 0.000 1.366 51 I HN 0.798 nan 8.210 nan 0.000 0.466 52 Y N 3.308 123.552 120.300 -0.094 0.000 2.458 52 Y HA 0.149 4.699 4.550 -0.000 0.000 0.254 52 Y C 0.757 176.661 175.900 0.007 0.000 1.120 52 Y CA -0.239 57.846 58.100 -0.025 0.000 1.282 52 Y CB 0.289 38.785 38.460 0.060 0.000 1.109 52 Y HN 0.524 nan 8.280 nan 0.000 0.526 53 N N 1.493 120.220 118.700 0.044 0.000 2.609 53 N HA 0.227 4.967 4.740 -0.000 0.000 0.268 53 N C -2.920 172.522 175.510 -0.113 0.000 1.106 53 N CA -1.873 51.160 53.050 -0.030 0.000 0.823 53 N CB 1.027 39.526 38.487 0.019 0.000 1.263 53 N HN -0.158 nan 8.380 nan 0.000 0.533 54 P HA 0.136 nan 4.420 nan 0.000 0.273 54 P C -0.514 176.601 177.300 -0.309 0.000 1.250 54 P CA -0.346 62.406 63.100 -0.580 0.000 0.793 54 P CB 0.570 31.420 31.700 -1.417 0.000 1.011 55 F N 2.929 122.714 119.950 -0.275 0.000 2.506 55 F HA 0.080 4.607 4.527 -0.000 0.000 0.369 55 F C 0.763 176.540 175.800 -0.037 0.000 1.114 55 F CA -0.121 57.851 58.000 -0.046 0.000 1.121 55 F CB -0.243 38.821 39.000 0.105 0.000 1.104 55 F HN 0.234 nan 8.300 nan 0.000 0.564 56 R N 3.706 123.745 120.500 -0.768 0.000 3.022 56 R HA -0.162 4.178 4.340 -0.000 0.000 0.248 56 R C -2.636 173.417 176.300 -0.412 0.000 0.874 56 R CA 0.243 55.912 56.100 -0.718 0.000 0.626 56 R CB -2.351 27.403 30.300 -0.909 0.000 1.255 56 R HN 0.406 nan 8.270 nan 0.000 0.496 57 P HA -0.016 nan 4.420 nan 0.000 0.274 57 P C 1.481 178.467 177.300 -0.523 0.000 1.237 57 P CA -0.528 62.240 63.100 -0.553 0.000 0.793 57 P CB 0.273 31.116 31.700 -1.428 0.000 0.977 58 W N 3.000 124.169 121.300 -0.218 0.000 2.363 58 W HA -0.124 4.536 4.660 -0.000 0.000 0.296 58 W C 1.703 178.328 176.519 0.177 0.000 1.212 58 W CA 0.941 58.306 57.345 0.033 0.000 1.260 58 W CB -1.923 27.732 29.460 0.325 0.000 1.131 58 W HN 0.466 nan 8.180 nan 0.000 0.530 59 W N 3.435 124.216 121.300 -0.865 0.000 2.848 59 W HA -0.010 4.650 4.660 0.000 0.000 0.241 59 W C 1.536 177.948 176.519 -0.178 0.000 1.289 59 W CA 0.941 57.873 57.345 -0.689 0.000 1.396 59 W CB -1.448 27.260 29.460 -1.254 0.000 1.138 59 W HN 0.236 nan 8.180 nan 0.000 0.677 60 E N 1.729 121.837 120.200 -0.153 0.000 2.338 60 E HA -0.149 4.201 4.350 -0.000 0.000 0.197 60 E C 1.800 178.399 176.600 -0.001 0.000 1.007 60 E CA 0.747 57.109 56.400 -0.063 0.000 0.849 60 E CB -0.499 29.032 29.700 -0.282 0.000 0.774 60 E HN 0.264 nan 8.360 nan 0.000 0.506 61 R N -0.374 120.134 120.500 0.015 0.000 2.307 61 R HA 0.004 4.344 4.340 -0.000 0.000 0.199 61 R C 0.327 176.456 176.300 -0.285 0.000 1.000 61 R CA 0.568 56.599 56.100 -0.116 0.000 1.023 61 R CB 0.017 30.243 30.300 -0.124 0.000 0.908 61 R HN 0.303 nan 8.270 nan 0.000 0.473 62 Y N -0.054 120.352 120.300 0.176 0.000 2.708 62 Y HA 0.193 4.743 4.550 -0.000 0.000 0.287 62 Y C 0.296 176.336 175.900 0.235 0.000 1.145 62 Y CA -0.167 58.070 58.100 0.228 0.000 1.249 62 Y CB 0.599 39.228 38.460 0.282 0.000 1.152 62 Y HN -0.080 nan 8.280 nan 0.000 0.532 63 Q N 1.312 121.209 119.800 0.162 0.000 3.122 63 Q HA 0.328 4.668 4.340 -0.000 0.000 0.282 63 Q C -2.846 173.145 176.000 -0.015 0.000 0.947 63 Q CA -2.320 53.558 55.803 0.125 0.000 0.812 63 Q CB 1.005 29.813 28.738 0.117 0.000 1.333 63 Q HN 0.012 nan 8.270 nan 0.000 0.430 64 P HA -0.075 nan 4.420 nan 0.000 0.266 64 P C -0.194 176.962 177.300 -0.240 0.000 1.195 64 P CA 0.133 63.129 63.100 -0.173 0.000 0.768 64 P CB 1.369 32.953 31.700 -0.194 0.000 0.838 65 V N 0.914 120.656 119.914 -0.288 0.000 3.484 65 V HA 0.110 4.230 4.120 -0.000 0.000 0.252 65 V C 0.806 176.784 176.094 -0.194 0.000 1.282 65 V CA 1.464 63.609 62.300 -0.258 0.000 1.104 65 V CB 0.457 31.993 31.823 -0.477 0.000 0.868 65 V HN 0.819 nan 8.190 nan 0.000 0.457 66 S N -2.239 113.246 115.700 -0.358 0.000 2.683 66 S HA 0.432 4.902 4.470 -0.000 0.000 0.269 66 S C -0.910 173.299 174.600 -0.652 0.000 1.165 66 S CA -0.387 57.520 58.200 -0.487 0.000 0.840 66 S CB 0.848 63.915 63.200 -0.221 0.000 1.169 66 S HN -0.054 nan 8.310 nan 0.000 0.490 67 Y N 0.993 121.128 120.300 -0.275 0.000 2.607 67 Y HA 0.459 5.009 4.550 -0.000 0.000 0.266 67 Y C 0.524 176.302 175.900 -0.204 0.000 1.178 67 Y CA -0.879 56.960 58.100 -0.435 0.000 1.226 67 Y CB -0.143 37.995 38.460 -0.537 0.000 1.144 67 Y HN 0.385 nan 8.280 nan 0.000 0.528 68 K N 0.883 121.265 120.400 -0.030 0.000 2.350 68 K HA 0.175 4.494 4.320 -0.000 0.000 0.279 68 K C -0.556 176.072 176.600 0.047 0.000 1.027 68 K CA -0.512 55.789 56.287 0.023 0.000 0.969 68 K CB 0.803 33.307 32.500 0.007 0.000 0.954 68 K HN -0.050 nan 8.250 nan 0.000 0.474 69 L N 3.760 125.034 121.223 0.085 0.000 2.384 69 L HA 0.074 4.413 4.340 -0.000 0.000 0.258 69 L C -0.349 176.595 176.870 0.124 0.000 1.266 69 L CA 0.238 55.116 54.840 0.063 0.000 1.162 69 L CB -0.388 41.663 42.059 -0.012 0.000 1.375 69 L HN 0.608 nan 8.230 nan 0.000 0.420 70 c N 2.181 120.846 118.600 0.108 0.000 2.892 70 c HA 0.740 5.310 4.570 -0.000 0.000 0.360 70 c C 0.271 174.397 174.090 0.060 0.000 1.054 70 c CA 0.121 56.512 56.329 0.103 0.000 1.326 70 c CB 0.039 42.591 42.510 0.069 0.000 1.806 70 c HN 0.883 nan 8.230 nan 0.000 0.490 71 T N 1.980 116.570 114.554 0.059 0.000 2.654 71 T HA 0.504 4.854 4.350 -0.000 0.000 0.289 71 T C 0.907 175.550 174.700 -0.096 0.000 1.062 71 T CA -0.649 61.438 62.100 -0.023 0.000 1.041 71 T CB 1.023 69.884 68.868 -0.011 0.000 1.417 71 T HN 0.531 nan 8.240 nan 0.000 0.510 72 R N 0.106 120.518 120.500 -0.147 0.000 2.285 72 R HA 0.074 4.414 4.340 -0.000 0.000 0.213 72 R C 1.940 178.075 176.300 -0.274 0.000 1.068 72 R CA 0.794 56.789 56.100 -0.174 0.000 1.004 72 R CB -0.353 29.846 30.300 -0.169 0.000 0.873 72 R HN 0.530 nan 8.270 nan 0.000 0.467 73 S N -0.459 114.963 115.700 -0.464 0.000 2.496 73 S HA 0.146 4.615 4.470 -0.000 0.000 0.224 73 S C 0.708 174.746 174.600 -0.937 0.000 0.996 73 S CA 0.631 58.289 58.200 -0.903 0.000 0.927 73 S CB 0.755 62.873 63.200 -1.803 0.000 0.774 73 S HN 0.639 nan 8.310 nan 0.000 0.524 74 G N 1.441 109.966 108.800 -0.459 0.000 2.369 74 G HA2 0.126 4.086 3.960 -0.000 0.000 0.307 74 G HA3 0.126 4.086 3.960 -0.000 0.000 0.307 74 G C -1.272 173.764 174.900 0.225 0.000 1.327 74 G CA -0.663 44.400 45.100 -0.062 0.000 0.963 74 G HN 0.338 nan 8.290 nan 0.000 0.590 75 N N -0.727 118.142 118.700 0.282 0.000 2.566 75 N HA 0.433 5.173 4.740 -0.000 0.000 0.299 75 N C 1.093 176.806 175.510 0.339 0.000 1.277 75 N CA 0.132 53.337 53.050 0.259 0.000 0.965 75 N CB 0.856 39.444 38.487 0.168 0.000 1.142 75 N HN 0.749 nan 8.380 nan 0.000 0.596 76 E N -0.962 119.383 120.200 0.242 0.000 2.110 76 E HA -0.222 4.128 4.350 -0.000 0.000 0.193 76 E C 0.371 177.118 176.600 0.246 0.000 0.988 76 E CA 1.273 57.818 56.400 0.240 0.000 0.804 76 E CB -0.104 29.715 29.700 0.198 0.000 0.745 76 E HN 0.520 nan 8.360 nan 0.000 0.458 77 D N 0.599 121.118 120.400 0.198 0.000 2.117 77 D HA -0.160 4.480 4.640 -0.000 0.000 0.197 77 D C 1.754 178.153 176.300 0.164 0.000 0.987 77 D CA 1.108 55.203 54.000 0.158 0.000 0.829 77 D CB -0.155 40.720 40.800 0.125 0.000 0.961 77 D HN 0.373 nan 8.370 nan 0.000 0.460 78 E N -0.159 120.176 120.200 0.225 0.000 2.106 78 E HA -0.147 4.203 4.350 -0.000 0.000 0.192 78 E C 1.928 178.663 176.600 0.226 0.000 0.984 78 E CA 0.363 56.914 56.400 0.252 0.000 0.806 78 E CB -0.188 29.717 29.700 0.341 0.000 0.750 78 E HN 0.229 nan 8.360 nan 0.000 0.458 79 F N 1.916 121.896 119.950 0.050 0.000 2.102 79 F HA -0.131 4.396 4.527 -0.000 0.000 0.298 79 F C 2.313 177.962 175.800 -0.251 0.000 1.105 79 F CA 1.456 59.224 58.000 -0.387 0.000 1.239 79 F CB 0.063 38.778 39.000 -0.474 0.000 0.991 79 F HN -0.222 nan 8.300 nan 0.000 0.474 80 R N 0.286 120.778 120.500 -0.014 0.000 2.081 80 R HA -0.222 4.118 4.340 -0.000 0.000 0.235 80 R C 2.313 178.534 176.300 -0.132 0.000 1.131 80 R CA 1.474 57.527 56.100 -0.077 0.000 0.960 80 R CB -0.930 29.407 30.300 0.062 0.000 0.856 80 R HN 0.447 nan 8.270 nan 0.000 0.436 81 N N 1.001 119.666 118.700 -0.058 0.000 2.104 81 N HA -0.217 4.523 4.740 -0.000 0.000 0.190 81 N C 1.874 177.317 175.510 -0.112 0.000 1.024 81 N CA 1.444 54.471 53.050 -0.039 0.000 0.853 81 N CB -0.033 38.467 38.487 0.021 0.000 1.008 81 N HN 0.237 nan 8.380 nan 0.000 0.424 82 M N 0.751 120.239 119.600 -0.186 0.000 2.086 82 M HA -0.129 4.351 4.480 -0.000 0.000 0.261 82 M C 1.894 177.974 176.300 -0.366 0.000 1.067 82 M CA 1.350 56.508 55.300 -0.237 0.000 1.116 82 M CB -0.076 32.366 32.600 -0.263 0.000 1.348 82 M HN -0.041 nan 8.290 nan 0.000 0.407 83 V N 0.628 120.213 119.914 -0.548 0.000 2.343 83 V HA -0.255 3.865 4.120 -0.000 0.000 0.247 83 V C 2.348 178.135 176.094 -0.512 0.000 1.051 83 V CA 2.347 64.299 62.300 -0.581 0.000 1.036 83 V CB -1.277 30.156 31.823 -0.649 0.000 0.654 83 V HN 0.585 nan 8.190 nan 0.000 0.451 84 T N -0.221 114.133 114.554 -0.333 0.000 2.674 84 T HA -0.212 4.138 4.350 -0.000 0.000 0.265 84 T C 2.086 176.690 174.700 -0.161 0.000 1.039 84 T CA 1.759 63.749 62.100 -0.183 0.000 1.150 84 T CB -0.252 68.669 68.868 0.088 0.000 0.864 84 T HN 0.414 nan 8.240 nan 0.000 0.427 85 R N 0.063 120.490 120.500 -0.121 0.000 2.081 85 R HA -0.049 4.290 4.340 -0.000 0.000 0.235 85 R C 2.825 179.043 176.300 -0.136 0.000 1.131 85 R CA 1.415 57.464 56.100 -0.084 0.000 0.960 85 R CB -0.816 29.452 30.300 -0.053 0.000 0.856 85 R HN 0.379 nan 8.270 nan 0.000 0.436 86 c N 0.661 119.136 118.600 -0.208 0.000 2.432 86 c HA -0.040 4.530 4.570 -0.000 0.000 0.277 86 c C 2.345 176.262 174.090 -0.287 0.000 1.249 86 c CA 0.502 56.700 56.329 -0.217 0.000 1.725 86 c CB -1.000 41.362 42.510 -0.247 0.000 2.028 86 c HN 0.512 nan 8.230 nan 0.000 0.477 87 N N 1.511 119.920 118.700 -0.484 0.000 2.149 87 N HA -0.098 4.641 4.740 -0.000 0.000 0.188 87 N C 1.307 176.572 175.510 -0.408 0.000 1.019 87 N CA 1.113 53.746 53.050 -0.696 0.000 0.857 87 N CB -0.640 36.892 38.487 -1.591 0.000 0.997 87 N HN 0.512 nan 8.380 nan 0.000 0.426 88 N N 0.332 118.918 118.700 -0.190 0.000 2.443 88 N HA -0.087 4.653 4.740 -0.000 0.000 0.184 88 N C 1.321 176.820 175.510 -0.019 0.000 1.037 88 N CA 0.573 53.637 53.050 0.023 0.000 0.896 88 N CB 0.075 38.613 38.487 0.085 0.000 0.959 88 N HN 0.271 nan 8.380 nan 0.000 0.442 89 V N -4.502 115.371 119.914 -0.068 0.000 3.376 89 V HA 0.550 4.670 4.120 -0.000 0.000 0.313 89 V C 1.111 177.171 176.094 -0.056 0.000 1.393 89 V CA 0.132 62.406 62.300 -0.044 0.000 1.125 89 V CB -0.051 31.754 31.823 -0.030 0.000 1.037 89 V HN 0.160 nan 8.190 nan 0.000 0.440 90 G N 0.292 109.033 108.800 -0.098 0.000 2.143 90 G HA2 -0.192 3.767 3.960 -0.000 0.000 0.248 90 G HA3 -0.192 3.767 3.960 -0.000 0.000 0.248 90 G C -0.039 174.809 174.900 -0.086 0.000 0.991 90 G CA 0.123 45.163 45.100 -0.099 0.000 0.689 90 G HN 0.926 nan 8.290 nan 0.000 0.522 91 V N 2.164 122.012 119.914 -0.110 0.000 2.357 91 V HA 0.569 4.689 4.120 -0.000 0.000 0.284 91 V C 0.581 176.585 176.094 -0.150 0.000 1.018 91 V CA -1.294 60.963 62.300 -0.072 0.000 0.841 91 V CB 1.400 33.196 31.823 -0.046 0.000 0.991 91 V HN 0.328 nan 8.190 nan 0.000 0.437 92 R N 4.139 124.572 120.500 -0.111 0.000 2.615 92 R HA 0.526 4.866 4.340 -0.000 0.000 0.270 92 R C -0.556 175.519 176.300 -0.374 0.000 1.081 92 R CA -0.662 55.282 56.100 -0.260 0.000 1.154 92 R CB 0.882 31.024 30.300 -0.264 0.000 1.063 92 R HN 0.420 nan 8.270 nan 0.000 0.519 93 I N 2.647 122.878 120.570 -0.566 0.000 2.433 93 I HA 0.290 4.460 4.170 -0.000 0.000 0.292 93 I C -0.685 175.011 176.117 -0.701 0.000 1.001 93 I CA -0.926 60.083 61.300 -0.485 0.000 1.119 93 I CB 1.193 38.931 38.000 -0.437 0.000 1.289 93 I HN 0.420 nan 8.210 nan 0.000 0.438 94 Y N 4.691 124.953 120.300 -0.065 0.000 2.350 94 Y HA 0.463 5.013 4.550 -0.000 0.000 0.338 94 Y C 0.208 176.065 175.900 -0.073 0.000 0.961 94 Y CA -0.898 57.156 58.100 -0.076 0.000 1.100 94 Y CB 1.907 40.456 38.460 0.148 0.000 1.179 94 Y HN 0.176 nan 8.280 nan 0.000 0.454 95 V N 3.126 122.991 119.914 -0.082 0.000 2.509 95 V HA 0.097 4.217 4.120 -0.000 0.000 0.284 95 V C -0.099 176.087 176.094 0.153 0.000 1.047 95 V CA -0.703 61.635 62.300 0.062 0.000 0.952 95 V CB 1.394 33.261 31.823 0.074 0.000 0.988 95 V HN 0.666 nan 8.190 nan 0.000 0.469 96 D N 4.147 124.646 120.400 0.166 0.000 2.352 96 D HA 0.323 4.963 4.640 -0.000 0.000 0.245 96 D C 0.062 176.469 176.300 0.178 0.000 1.224 96 D CA -0.070 54.016 54.000 0.144 0.000 0.879 96 D CB 1.234 42.141 40.800 0.179 0.000 1.057 96 D HN 0.677 nan 8.370 nan 0.000 0.491 97 A N 4.262 127.175 122.820 0.155 0.000 2.316 97 A HA 0.377 4.697 4.320 -0.000 0.000 0.311 97 A C -0.078 177.562 177.584 0.093 0.000 1.339 97 A CA -0.667 51.451 52.037 0.135 0.000 0.960 97 A CB 0.574 19.574 19.000 0.001 0.000 1.152 97 A HN 0.382 nan 8.150 nan 0.000 0.547 98 V N 5.565 125.537 119.914 0.096 0.000 2.258 98 V HA 0.132 4.252 4.120 -0.000 0.000 0.258 98 V C 0.880 176.933 176.094 -0.067 0.000 1.121 98 V CA 0.306 62.610 62.300 0.007 0.000 0.942 98 V CB -0.540 31.272 31.823 -0.019 0.000 1.170 98 V HN 0.874 nan 8.190 nan 0.000 0.487 99 I N 0.323 120.849 120.570 -0.073 0.000 4.082 99 I HA 0.334 4.504 4.170 -0.000 0.000 0.337 99 I C 1.522 177.590 176.117 -0.082 0.000 1.352 99 I CA 0.251 61.516 61.300 -0.059 0.000 1.097 99 I CB 0.086 38.055 38.000 -0.052 0.000 1.048 99 I HN 0.457 nan 8.210 nan 0.000 0.393 100 N N 1.511 120.137 118.700 -0.123 0.000 2.416 100 N HA -0.063 4.676 4.740 -0.000 0.000 0.177 100 N C 0.541 176.074 175.510 0.037 0.000 1.036 100 N CA 0.872 53.924 53.050 0.004 0.000 0.901 100 N CB 0.190 38.776 38.487 0.165 0.000 0.976 100 N HN 0.687 nan 8.380 nan 0.000 0.444 101 H N -3.660 115.426 119.070 0.027 0.000 2.933 101 H HA 0.307 4.863 4.556 0.000 0.000 0.310 101 H C -0.556 174.762 175.328 -0.016 0.000 1.351 101 H CA -0.897 55.161 56.048 0.015 0.000 1.137 101 H CB 0.511 30.282 29.762 0.016 0.000 1.853 101 H HN -0.184 nan 8.280 nan 0.000 0.539 102 M N 0.712 120.392 119.600 0.133 0.000 2.348 102 M HA 0.319 4.799 4.480 -0.000 0.000 0.226 102 M C 0.966 177.324 176.300 0.097 0.000 0.780 102 M CA -0.366 54.893 55.300 -0.069 0.000 1.699 102 M CB 0.244 32.564 32.600 -0.466 0.000 1.192 102 M HN 0.878 nan 8.290 nan 0.000 0.859 103 C N -0.025 119.317 119.300 0.070 0.000 2.480 103 C HA 0.799 5.259 4.460 -0.000 0.000 0.344 103 C C 0.987 176.038 174.990 0.101 0.000 1.380 103 C CA -0.901 58.191 59.018 0.123 0.000 2.386 103 C CB -0.537 27.284 27.740 0.135 0.000 2.210 103 C HN 0.832 nan 8.230 nan 0.000 0.640 104 G N 1.494 110.336 108.800 0.070 0.000 2.432 104 G HA2 0.197 4.157 3.960 -0.000 0.000 0.239 104 G HA3 0.197 4.157 3.960 -0.000 0.000 0.239 104 G C 0.899 175.817 174.900 0.030 0.000 1.291 104 G CA 0.229 45.339 45.100 0.016 0.000 0.863 104 G HN 1.036 nan 8.290 nan 0.000 0.560 105 N N 1.452 120.141 118.700 -0.018 0.000 2.396 105 N HA -0.101 4.639 4.740 -0.000 0.000 0.180 105 N C 1.855 177.347 175.510 -0.031 0.000 1.028 105 N CA 1.094 54.123 53.050 -0.035 0.000 0.893 105 N CB -0.087 38.361 38.487 -0.065 0.000 0.967 105 N HN 0.432 nan 8.380 nan 0.000 0.440 106 A N 1.033 123.839 122.820 -0.023 0.000 2.169 106 A HA 0.217 4.537 4.320 -0.000 0.000 0.212 106 A C 0.986 178.566 177.584 -0.008 0.000 1.153 106 A CA -0.180 51.843 52.037 -0.024 0.000 0.756 106 A CB -0.206 18.779 19.000 -0.026 0.000 0.813 106 A HN 0.112 nan 8.150 nan 0.000 0.471 107 V N 1.580 121.509 119.914 0.025 0.000 2.788 107 V HA 0.028 4.148 4.120 -0.000 0.000 0.307 107 V C 0.778 176.864 176.094 -0.013 0.000 1.069 107 V CA 0.089 62.424 62.300 0.057 0.000 1.173 107 V CB 0.944 32.869 31.823 0.169 0.000 0.925 107 V HN 0.406 nan 8.190 nan 0.000 0.492 108 S N 3.415 119.090 115.700 -0.041 0.000 2.548 108 S HA 0.499 4.969 4.470 -0.000 0.000 0.277 108 S C 0.475 174.878 174.600 -0.329 0.000 1.315 108 S CA -0.202 57.919 58.200 -0.133 0.000 1.050 108 S CB 1.096 64.244 63.200 -0.087 0.000 0.918 108 S HN 1.073 nan 8.310 nan 0.000 0.497 109 A N 2.508 125.097 122.820 -0.385 0.000 2.406 109 A HA 0.719 5.039 4.320 -0.000 0.000 0.243 109 A C 0.987 178.233 177.584 -0.564 0.000 1.082 109 A CA 0.447 52.099 52.037 -0.643 0.000 0.786 109 A CB -0.364 18.389 19.000 -0.411 0.000 1.029 109 A HN 1.359 nan 8.150 nan 0.000 0.495 110 G N -0.966 107.374 108.800 -0.767 0.000 2.302 110 G HA2 0.396 4.356 3.960 -0.000 0.000 0.264 110 G HA3 0.396 4.356 3.960 -0.000 0.000 0.264 110 G C -0.016 174.712 174.900 -0.287 0.000 1.335 110 G CA 0.528 45.445 45.100 -0.305 0.000 0.982 110 G HN 1.788 nan 8.290 nan 0.000 0.473 111 T N -2.358 112.202 114.554 0.010 0.000 3.355 111 T HA 0.541 4.891 4.350 -0.000 0.000 0.276 111 T C 0.672 175.506 174.700 0.222 0.000 1.003 111 T CA 0.896 63.098 62.100 0.169 0.000 0.943 111 T CB 0.710 69.683 68.868 0.176 0.000 1.158 111 T HN 1.153 nan 8.240 nan 0.000 0.513 112 S N 2.723 118.587 115.700 0.273 0.000 3.983 112 S HA 0.442 4.912 4.470 -0.000 0.000 0.194 112 S C 0.345 175.135 174.600 0.317 0.000 1.464 112 S CA -0.603 57.769 58.200 0.287 0.000 1.021 112 S CB -0.953 62.403 63.200 0.262 0.000 1.424 112 S HN 0.771 nan 8.310 nan 0.000 0.473 113 S N 0.713 116.545 115.700 0.220 0.000 2.638 113 S HA 0.399 4.869 4.470 -0.000 0.000 0.302 113 S C 1.127 175.739 174.600 0.020 0.000 1.096 113 S CA -0.390 57.838 58.200 0.046 0.000 0.953 113 S CB 1.097 64.297 63.200 -0.001 0.000 1.107 113 S HN 0.452 nan 8.310 nan 0.000 0.503 114 T N -3.224 111.305 114.554 -0.041 0.000 3.098 114 T HA -0.044 4.306 4.350 -0.000 0.000 0.266 114 T C 0.975 175.675 174.700 0.000 0.000 1.145 114 T CA 0.749 62.830 62.100 -0.032 0.000 1.092 114 T CB -0.661 68.168 68.868 -0.065 0.000 0.908 114 T HN 0.637 nan 8.240 nan 0.000 0.526 115 c N 0.408 119.016 118.600 0.013 0.000 3.657 115 c HA 0.667 5.237 4.570 -0.000 0.000 0.291 115 c C 1.985 176.108 174.090 0.055 0.000 1.572 115 c CA -0.089 56.259 56.329 0.032 0.000 1.818 115 c CB -0.743 41.781 42.510 0.024 0.000 2.903 115 c HN 0.865 nan 8.230 nan 0.000 0.632 116 G N 1.599 110.443 108.800 0.075 0.000 2.159 116 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.256 116 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.256 116 G C 0.213 175.194 174.900 0.135 0.000 0.977 116 G CA 0.610 45.773 45.100 0.104 0.000 0.652 116 G HN 0.589 nan 8.290 nan 0.000 0.531 117 S N -0.286 115.489 115.700 0.125 0.000 2.562 117 S HA 0.420 4.890 4.470 -0.000 0.000 0.281 117 S C 0.024 174.790 174.600 0.277 0.000 1.333 117 S CA -0.281 58.014 58.200 0.159 0.000 1.052 117 S CB 0.787 64.043 63.200 0.093 0.000 0.884 117 S HN 0.571 nan 8.310 nan 0.000 0.506 118 Y N 4.093 124.487 120.300 0.156 0.000 2.299 118 Y HA 0.545 5.095 4.550 -0.000 0.000 0.326 118 Y C -0.500 175.537 175.900 0.229 0.000 1.164 118 Y CA -0.871 57.316 58.100 0.145 0.000 1.234 118 Y CB 0.360 38.838 38.460 0.030 0.000 1.219 118 Y HN 0.569 nan 8.280 nan 0.000 0.497 119 F N 3.211 122.516 119.950 -1.075 0.000 2.654 119 F HA 0.449 4.976 4.527 -0.000 0.000 0.308 119 F C -1.892 173.228 175.800 -1.133 0.000 1.108 119 F CA -1.513 55.917 58.000 -0.949 0.000 0.957 119 F CB 1.358 40.029 39.000 -0.548 0.000 1.309 119 F HN 0.437 nan 8.300 nan 0.000 0.446 120 N N 2.831 120.987 118.700 -0.907 0.000 2.640 120 N HA 0.376 5.116 4.740 -0.000 0.000 0.262 120 N C -2.603 172.607 175.510 -0.501 0.000 1.174 120 N CA -1.904 50.752 53.050 -0.657 0.000 0.791 120 N CB 2.066 40.335 38.487 -0.364 0.000 1.279 120 N HN 0.290 nan 8.380 nan 0.000 0.535 121 P HA -0.042 nan 4.420 nan 0.000 0.215 121 P C 1.329 178.528 177.300 -0.169 0.000 1.153 121 P CA 1.241 64.237 63.100 -0.172 0.000 0.853 121 P CB 0.226 31.919 31.700 -0.011 0.000 0.788 122 G N -0.122 108.580 108.800 -0.163 0.000 2.440 122 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.218 122 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.218 122 G C 1.459 176.282 174.900 -0.128 0.000 1.154 122 G CA 1.343 46.366 45.100 -0.129 0.000 0.767 122 G HN 0.436 nan 8.290 nan 0.000 0.552 123 S N -1.050 114.570 115.700 -0.135 0.000 2.577 123 S HA 0.306 4.776 4.470 -0.000 0.000 0.219 123 S C 1.095 175.637 174.600 -0.096 0.000 0.962 123 S CA 0.170 58.308 58.200 -0.103 0.000 0.921 123 S CB 0.324 63.481 63.200 -0.070 0.000 0.789 123 S HN 0.216 nan 8.310 nan 0.000 0.497 124 R N 1.319 121.734 120.500 -0.142 0.000 3.651 124 R HA -0.110 4.230 4.340 -0.000 0.000 0.292 124 R C -1.421 174.960 176.300 0.136 0.000 1.161 124 R CA 0.800 56.854 56.100 -0.077 0.000 0.787 124 R CB -2.731 27.537 30.300 -0.052 0.000 1.249 124 R HN 0.617 nan 8.270 nan 0.000 0.476 125 D N 0.001 120.338 120.400 -0.104 0.000 2.280 125 D HA 0.285 4.925 4.640 -0.000 0.000 0.236 125 D C -0.301 175.829 176.300 -0.283 0.000 1.082 125 D CA -0.103 53.892 54.000 -0.008 0.000 0.834 125 D CB 0.519 41.335 40.800 0.027 0.000 1.100 125 D HN -0.042 nan 8.370 nan 0.000 0.486 126 F N 2.984 123.083 119.950 0.249 0.000 2.622 126 F HA 0.213 4.740 4.527 -0.000 0.000 0.338 126 F C -1.441 174.450 175.800 0.152 0.000 1.334 126 F CA -1.574 56.548 58.000 0.204 0.000 1.179 126 F CB 1.511 40.661 39.000 0.250 0.000 1.471 126 F HN 0.177 nan 8.300 nan 0.000 0.576 127 P HA -0.243 nan 4.420 nan 0.000 0.220 127 P C 1.381 178.761 177.300 0.134 0.000 1.144 127 P CA 1.463 64.678 63.100 0.191 0.000 0.800 127 P CB 0.340 32.159 31.700 0.197 0.000 0.772 128 A N -0.484 122.411 122.820 0.126 0.000 2.119 128 A HA -0.015 4.305 4.320 -0.000 0.000 0.217 128 A C 2.317 179.885 177.584 -0.027 0.000 1.153 128 A CA 1.117 53.185 52.037 0.053 0.000 0.692 128 A CB -1.171 17.855 19.000 0.043 0.000 0.799 128 A HN 0.104 nan 8.150 nan 0.000 0.458 129 V N 0.409 120.276 119.914 -0.078 0.000 2.283 129 V HA 0.028 4.148 4.120 -0.000 0.000 0.239 129 V C -1.370 174.648 176.094 -0.127 0.000 1.035 129 V CA 1.354 63.510 62.300 -0.240 0.000 1.018 129 V CB -1.016 30.399 31.823 -0.680 0.000 0.658 129 V HN 0.490 nan 8.190 nan 0.000 0.459 130 P HA 0.428 nan 4.420 nan 0.000 0.289 130 P C -1.990 175.383 177.300 0.122 0.000 1.293 130 P CA -0.288 62.844 63.100 0.052 0.000 0.897 130 P CB 1.951 33.737 31.700 0.143 0.000 1.166 131 Y N -0.538 119.964 120.300 0.337 0.000 2.545 131 Y HA 0.532 5.081 4.550 -0.000 0.000 0.348 131 Y C 0.878 177.032 175.900 0.423 0.000 1.002 131 Y CA -0.399 57.916 58.100 0.359 0.000 1.039 131 Y CB 2.304 40.930 38.460 0.277 0.000 1.271 131 Y HN 0.520 nan 8.280 nan 0.000 0.467 132 S N -1.142 114.902 115.700 0.573 0.000 2.806 132 S HA 0.578 5.048 4.470 -0.000 0.000 0.306 132 S C 0.967 175.829 174.600 0.436 0.000 1.167 132 S CA -0.308 58.158 58.200 0.443 0.000 0.847 132 S CB 1.168 64.578 63.200 0.351 0.000 1.216 132 S HN 0.859 nan 8.310 nan 0.000 0.532 133 G N -0.226 108.669 108.800 0.157 0.000 2.485 133 G HA2 -0.147 3.812 3.960 -0.000 0.000 0.221 133 G HA3 -0.147 3.812 3.960 -0.000 0.000 0.221 133 G C 0.735 175.643 174.900 0.012 0.000 1.115 133 G CA 0.560 45.679 45.100 0.032 0.000 0.751 133 G HN 0.775 nan 8.290 nan 0.000 0.567 134 W N 0.783 122.190 121.300 0.179 0.000 2.611 134 W HA 0.137 4.797 4.660 0.000 0.000 0.251 134 W C 1.189 177.745 176.519 0.061 0.000 1.265 134 W CA 0.265 57.670 57.345 0.100 0.000 1.295 134 W CB 0.351 29.840 29.460 0.049 0.000 1.129 134 W HN 0.112 nan 8.180 nan 0.000 0.630 135 D N -1.140 119.377 120.400 0.195 0.000 2.363 135 D HA 0.103 4.743 4.640 -0.000 0.000 0.214 135 D C -0.297 175.664 176.300 -0.564 0.000 1.093 135 D CA 0.374 54.286 54.000 -0.148 0.000 0.837 135 D CB -0.109 40.554 40.800 -0.228 0.000 0.948 135 D HN 0.032 nan 8.370 nan 0.000 0.507 136 F N 0.266 120.229 119.950 0.023 0.000 2.575 136 F HA 0.318 4.846 4.527 0.000 0.000 0.330 136 F C 1.406 177.217 175.800 0.019 0.000 1.056 136 F CA -1.060 56.933 58.000 -0.011 0.000 0.964 136 F CB 0.865 39.858 39.000 -0.012 0.000 1.258 136 F HN -0.364 nan 8.300 nan 0.000 0.484 137 N N 0.954 119.779 118.700 0.208 0.000 2.362 137 N HA -0.042 4.698 4.740 -0.000 0.000 0.204 137 N C 0.728 176.306 175.510 0.114 0.000 1.166 137 N CA 0.319 53.451 53.050 0.137 0.000 0.831 137 N CB -0.260 38.300 38.487 0.121 0.000 1.008 137 N HN 0.566 nan 8.380 nan 0.000 0.472 138 D N 0.593 121.064 120.400 0.118 0.000 2.133 138 D HA -0.156 4.484 4.640 -0.000 0.000 0.192 138 D C 1.815 178.142 176.300 0.046 0.000 1.001 138 D CA 1.341 55.377 54.000 0.060 0.000 0.844 138 D CB -0.250 40.569 40.800 0.031 0.000 0.944 138 D HN 0.344 nan 8.370 nan 0.000 0.447 139 G N 0.267 109.100 108.800 0.055 0.000 2.534 139 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.217 139 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.217 139 G C 1.578 176.512 174.900 0.056 0.000 1.128 139 G CA 0.331 45.461 45.100 0.049 0.000 0.784 139 G HN 0.231 nan 8.290 nan 0.000 0.542 140 K N -0.508 119.933 120.400 0.069 0.000 2.166 140 K HA 0.040 4.360 4.320 -0.000 0.000 0.201 140 K C 1.002 177.642 176.600 0.067 0.000 1.052 140 K CA -0.087 56.243 56.287 0.072 0.000 0.969 140 K CB -0.161 32.394 32.500 0.091 0.000 0.761 140 K HN 0.238 nan 8.250 nan 0.000 0.459 141 c N 2.892 121.528 118.600 0.061 0.000 2.634 141 c HA 0.104 4.673 4.570 -0.000 0.000 0.418 141 c C 1.053 175.162 174.090 0.032 0.000 1.373 141 c CA -0.200 56.156 56.329 0.045 0.000 1.756 141 c CB -0.006 42.523 42.510 0.031 0.000 2.589 141 c HN 0.345 nan 8.230 nan 0.000 0.602 142 K N 3.351 123.768 120.400 0.028 0.000 2.358 142 K HA 0.104 4.424 4.320 -0.000 0.000 0.197 142 K C 1.044 177.650 176.600 0.010 0.000 1.025 142 K CA 0.223 56.522 56.287 0.020 0.000 1.104 142 K CB -0.288 32.227 32.500 0.025 0.000 0.855 142 K HN 0.927 nan 8.250 nan 0.000 0.531 143 T N -2.607 111.949 114.554 0.003 0.000 2.899 143 T HA 0.263 4.613 4.350 -0.000 0.000 0.295 143 T C 1.553 176.251 174.700 -0.004 0.000 1.033 143 T CA -0.078 62.020 62.100 -0.004 0.000 1.084 143 T CB 1.624 70.484 68.868 -0.014 0.000 0.979 143 T HN 0.143 nan 8.240 nan 0.000 0.532 144 G N 0.626 109.423 108.800 -0.005 0.000 2.432 144 G HA2 -0.160 3.799 3.960 -0.000 0.000 0.219 144 G HA3 -0.160 3.799 3.960 -0.000 0.000 0.219 144 G C 1.673 176.567 174.900 -0.010 0.000 1.135 144 G CA 0.779 45.876 45.100 -0.006 0.000 0.767 144 G HN 0.952 nan 8.290 nan 0.000 0.550 145 S N -1.267 114.425 115.700 -0.013 0.000 2.486 145 S HA 0.377 4.847 4.470 -0.000 0.000 0.220 145 S C 1.939 176.526 174.600 -0.022 0.000 1.011 145 S CA 1.024 59.213 58.200 -0.018 0.000 0.921 145 S CB 0.184 63.373 63.200 -0.019 0.000 0.785 145 S HN 1.481 nan 8.310 nan 0.000 0.517 146 G N 0.803 109.592 108.800 -0.020 0.000 2.213 146 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.236 146 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.236 146 G C -0.376 174.507 174.900 -0.029 0.000 0.991 146 G CA 0.196 45.284 45.100 -0.020 0.000 0.629 146 G HN 0.554 nan 8.290 nan 0.000 0.517 147 D N -0.081 120.297 120.400 -0.036 0.000 2.385 147 D HA 0.597 5.237 4.640 -0.000 0.000 0.254 147 D C 0.957 177.224 176.300 -0.055 0.000 1.053 147 D CA -0.609 53.361 54.000 -0.050 0.000 0.992 147 D CB 0.863 41.634 40.800 -0.049 0.000 1.145 147 D HN 0.238 nan 8.370 nan 0.000 0.523 148 I N 1.108 121.630 120.570 -0.079 0.000 2.533 148 I HA -0.000 4.170 4.170 -0.000 0.000 0.284 148 I C 1.302 177.382 176.117 -0.061 0.000 1.109 148 I CA 0.577 61.803 61.300 -0.123 0.000 1.412 148 I CB 0.524 38.385 38.000 -0.232 0.000 1.396 148 I HN 0.313 nan 8.210 nan 0.000 0.543 149 E N 3.970 124.138 120.200 -0.054 0.000 2.453 149 E HA 0.126 4.475 4.350 -0.000 0.000 0.211 149 E C 0.200 176.822 176.600 0.036 0.000 0.897 149 E CA 0.030 56.432 56.400 0.004 0.000 1.063 149 E CB 0.634 30.332 29.700 -0.003 0.000 1.080 149 E HN 0.624 nan 8.360 nan 0.000 0.512 150 N N -0.414 118.281 118.700 -0.008 0.000 2.500 150 N HA 0.092 4.832 4.740 -0.000 0.000 0.291 150 N C -0.752 174.752 175.510 -0.010 0.000 1.092 150 N CA -0.191 52.884 53.050 0.042 0.000 0.890 150 N CB 0.744 39.244 38.487 0.021 0.000 1.466 150 N HN -0.099 nan 8.380 nan 0.000 0.507 151 Y N 2.174 122.471 120.300 -0.005 0.000 2.578 151 Y HA 0.113 4.662 4.550 -0.001 0.000 0.297 151 Y C 1.387 177.275 175.900 -0.020 0.000 1.176 151 Y CA 0.613 58.704 58.100 -0.015 0.000 1.315 151 Y CB -0.047 38.402 38.460 -0.019 0.000 1.031 151 Y HN 0.630 nan 8.280 nan 0.000 0.524 152 N N -0.449 118.308 118.700 0.094 0.000 2.398 152 N HA -0.069 4.671 4.740 -0.000 0.000 0.188 152 N C -0.306 175.217 175.510 0.022 0.000 1.122 152 N CA 0.082 53.165 53.050 0.054 0.000 0.866 152 N CB 0.264 38.780 38.487 0.047 0.000 0.970 152 N HN 0.104 nan 8.380 nan 0.000 0.462 153 D N 0.204 120.601 120.400 -0.005 0.000 2.472 153 D HA 0.288 4.928 4.640 -0.000 0.000 0.234 153 D C 0.644 176.913 176.300 -0.052 0.000 1.088 153 D CA -0.607 53.385 54.000 -0.014 0.000 0.882 153 D CB 1.014 41.805 40.800 -0.015 0.000 1.037 153 D HN 0.060 nan 8.370 nan 0.000 0.520 154 A N 2.869 125.668 122.820 -0.034 0.000 2.024 154 A HA -0.153 4.166 4.320 -0.000 0.000 0.220 154 A C 1.966 179.458 177.584 -0.153 0.000 1.164 154 A CA 1.729 53.707 52.037 -0.098 0.000 0.643 154 A CB -0.458 18.515 19.000 -0.045 0.000 0.806 154 A HN 0.586 nan 8.150 nan 0.000 0.451 155 T N -0.569 113.998 114.554 0.021 0.000 2.770 155 T HA -0.160 4.190 4.350 -0.000 0.000 0.263 155 T C 2.087 176.805 174.700 0.031 0.000 1.039 155 T CA 1.506 63.698 62.100 0.153 0.000 1.142 155 T CB -0.230 68.774 68.868 0.225 0.000 0.868 155 T HN 0.748 nan 8.240 nan 0.000 0.435 156 Q N 0.840 120.625 119.800 -0.025 0.000 2.124 156 Q HA -0.095 4.245 4.340 -0.000 0.000 0.202 156 Q C 2.191 178.105 176.000 -0.143 0.000 0.977 156 Q CA 1.201 56.967 55.803 -0.062 0.000 0.850 156 Q CB -0.268 28.427 28.738 -0.071 0.000 0.901 156 Q HN 0.332 nan 8.270 nan 0.000 0.429 157 V N 0.862 120.637 119.914 -0.232 0.000 2.490 157 V HA -0.222 3.898 4.120 -0.000 0.000 0.250 157 V C 2.170 178.160 176.094 -0.173 0.000 1.061 157 V CA 1.964 64.089 62.300 -0.291 0.000 1.064 157 V CB -0.432 31.168 31.823 -0.371 0.000 0.670 157 V HN 0.271 nan 8.190 nan 0.000 0.461 158 R N -0.117 120.208 120.500 -0.291 0.000 2.128 158 R HA 0.053 4.393 4.340 -0.000 0.000 0.211 158 R C 1.690 177.939 176.300 -0.084 0.000 1.067 158 R CA 0.904 56.791 56.100 -0.356 0.000 1.010 158 R CB -0.341 29.292 30.300 -1.112 0.000 0.922 158 R HN 0.456 nan 8.270 nan 0.000 0.457 159 D N -1.151 119.261 120.400 0.020 0.000 2.367 159 D HA 0.089 4.729 4.640 -0.000 0.000 0.207 159 D C 0.083 176.417 176.300 0.058 0.000 1.034 159 D CA 0.279 54.342 54.000 0.106 0.000 0.861 159 D CB 0.249 41.155 40.800 0.175 0.000 0.943 159 D HN 0.075 nan 8.370 nan 0.000 0.515 160 c N 0.831 119.436 118.600 0.008 0.000 2.345 160 c HA 0.462 5.032 4.570 -0.000 0.000 0.370 160 c C 0.731 174.801 174.090 -0.033 0.000 1.209 160 c CA -1.015 55.307 56.329 -0.011 0.000 2.133 160 c CB 1.359 43.847 42.510 -0.037 0.000 2.293 160 c HN 0.080 nan 8.230 nan 0.000 0.544 161 R N 1.130 121.603 120.500 -0.044 0.000 2.401 161 R HA 0.267 4.607 4.340 -0.000 0.000 0.299 161 R C -0.581 175.636 176.300 -0.137 0.000 1.064 161 R CA -0.454 55.600 56.100 -0.076 0.000 1.000 161 R CB 0.136 30.395 30.300 -0.068 0.000 0.973 161 R HN 0.466 nan 8.270 nan 0.000 0.438 162 L N 4.828 125.918 121.223 -0.221 0.000 2.407 162 L HA -0.015 4.325 4.340 -0.000 0.000 0.282 162 L C 0.422 177.148 176.870 -0.240 0.000 1.110 162 L CA 0.765 55.421 54.840 -0.307 0.000 0.863 162 L CB 0.117 41.853 42.059 -0.537 0.000 1.207 162 L HN 0.935 nan 8.230 nan 0.000 0.454 163 T N 1.722 116.182 114.554 -0.157 0.000 3.708 163 T HA -0.182 4.168 4.350 -0.000 0.000 0.375 163 T C 1.130 175.740 174.700 -0.150 0.000 0.763 163 T CA 1.196 63.212 62.100 -0.139 0.000 1.915 163 T CB -2.321 66.451 68.868 -0.160 0.000 1.783 163 T HN 2.299 nan 8.240 nan 0.000 0.734 164 G N -1.041 107.683 108.800 -0.126 0.000 2.217 164 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.246 164 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.246 164 G C 0.035 174.869 174.900 -0.110 0.000 0.990 164 G CA -0.143 44.893 45.100 -0.107 0.000 0.627 164 G HN 0.944 nan 8.290 nan 0.000 0.522 165 L N 1.853 122.978 121.223 -0.164 0.000 2.534 165 L HA 0.330 4.670 4.340 -0.000 0.000 0.271 165 L C 1.389 178.224 176.870 -0.058 0.000 1.178 165 L CA -0.060 54.684 54.840 -0.160 0.000 0.907 165 L CB 0.208 42.005 42.059 -0.437 0.000 1.164 165 L HN 0.251 nan 8.230 nan 0.000 0.482 166 L N 3.732 124.951 121.223 -0.007 0.000 2.628 166 L HA -0.082 4.258 4.340 -0.000 0.000 0.274 166 L C 0.413 177.406 176.870 0.205 0.000 1.209 166 L CA 0.212 55.056 54.840 0.007 0.000 0.930 166 L CB -0.113 41.822 42.059 -0.207 0.000 1.183 166 L HN 0.557 nan 8.230 nan 0.000 0.492 167 D N 3.924 124.456 120.400 0.220 0.000 2.316 167 D HA 0.319 4.958 4.640 -0.000 0.000 0.245 167 D C -0.227 176.208 176.300 0.225 0.000 1.171 167 D CA -0.287 53.838 54.000 0.208 0.000 0.856 167 D CB 0.795 41.665 40.800 0.117 0.000 1.090 167 D HN 0.253 nan 8.370 nan 0.000 0.476 168 L N 2.506 123.758 121.223 0.048 0.000 2.453 168 L HA 0.267 4.607 4.340 -0.000 0.000 0.272 168 L C 0.698 177.497 176.870 -0.118 0.000 1.182 168 L CA -0.649 54.048 54.840 -0.238 0.000 0.858 168 L CB 0.847 42.708 42.059 -0.329 0.000 1.120 168 L HN 0.487 nan 8.230 nan 0.000 0.474 169 A N 5.274 127.992 122.820 -0.170 0.000 2.990 169 A HA 0.272 4.592 4.320 -0.000 0.000 0.282 169 A C 1.116 178.686 177.584 -0.023 0.000 1.688 169 A CA -0.342 51.674 52.037 -0.035 0.000 1.391 169 A CB -0.509 18.484 19.000 -0.012 0.000 1.112 169 A HN 0.843 nan 8.150 nan 0.000 0.588 170 L N 0.833 122.065 121.223 0.015 0.000 2.549 170 L HA -0.123 4.217 4.340 -0.000 0.000 0.230 170 L C 2.496 179.390 176.870 0.039 0.000 1.162 170 L CA 1.102 55.957 54.840 0.025 0.000 0.834 170 L CB -0.224 41.871 42.059 0.060 0.000 0.947 170 L HN 0.848 nan 8.230 nan 0.000 0.452 171 E N 1.003 121.230 120.200 0.044 0.000 2.442 171 E HA -0.065 4.285 4.350 -0.000 0.000 0.195 171 E C 0.342 176.954 176.600 0.021 0.000 1.030 171 E CA 0.130 56.543 56.400 0.021 0.000 0.869 171 E CB 0.098 29.795 29.700 -0.004 0.000 0.857 171 E HN 0.354 nan 8.360 nan 0.000 0.505 172 K N 1.597 122.019 120.400 0.036 0.000 2.368 172 K HA 0.013 4.333 4.320 -0.000 0.000 0.282 172 K C 0.218 176.858 176.600 0.066 0.000 1.035 172 K CA 0.212 56.536 56.287 0.062 0.000 0.973 172 K CB 0.966 33.526 32.500 0.100 0.000 0.957 172 K HN -0.071 nan 8.250 nan 0.000 0.474 173 D N 1.928 122.369 120.400 0.068 0.000 2.178 173 D HA -0.219 4.421 4.640 -0.000 0.000 0.201 173 D C 1.452 177.801 176.300 0.082 0.000 0.980 173 D CA 1.245 55.279 54.000 0.056 0.000 0.842 173 D CB 0.078 40.907 40.800 0.049 0.000 0.948 173 D HN 0.615 nan 8.370 nan 0.000 0.472 174 Y N 0.307 120.624 120.300 0.028 0.000 2.145 174 Y HA -0.181 4.368 4.550 -0.000 0.000 0.286 174 Y C 2.046 177.998 175.900 0.087 0.000 1.145 174 Y CA 1.406 59.537 58.100 0.053 0.000 1.148 174 Y CB -0.501 37.999 38.460 0.066 0.000 0.981 174 Y HN -0.085 nan 8.280 nan 0.000 0.507 175 V N 0.886 120.822 119.914 0.038 0.000 2.358 175 V HA -0.288 3.832 4.120 -0.000 0.000 0.246 175 V C 2.393 178.451 176.094 -0.059 0.000 1.047 175 V CA 2.235 64.532 62.300 -0.004 0.000 1.035 175 V CB -0.622 31.195 31.823 -0.010 0.000 0.658 175 V HN 0.336 nan 8.190 nan 0.000 0.452 176 R N -0.003 120.468 120.500 -0.048 0.000 2.096 176 R HA -0.129 4.211 4.340 -0.000 0.000 0.235 176 R C 2.527 178.767 176.300 -0.100 0.000 1.127 176 R CA 1.710 57.773 56.100 -0.061 0.000 0.968 176 R CB -0.428 29.852 30.300 -0.035 0.000 0.861 176 R HN 0.451 nan 8.270 nan 0.000 0.440 177 S N 0.448 116.075 115.700 -0.121 0.000 2.387 177 S HA -0.023 4.447 4.470 -0.000 0.000 0.226 177 S C 1.610 176.095 174.600 -0.192 0.000 1.026 177 S CA 0.836 58.954 58.200 -0.138 0.000 0.972 177 S CB 0.095 63.230 63.200 -0.109 0.000 0.814 177 S HN 0.170 nan 8.310 nan 0.000 0.477 178 K N 1.440 121.676 120.400 -0.274 0.000 2.148 178 K HA 0.154 4.474 4.320 -0.000 0.000 0.204 178 K C 1.825 178.293 176.600 -0.220 0.000 1.050 178 K CA 0.759 56.893 56.287 -0.254 0.000 0.942 178 K CB -0.504 31.804 32.500 -0.319 0.000 0.724 178 K HN 0.406 nan 8.250 nan 0.000 0.446 179 I N 0.750 121.203 120.570 -0.196 0.000 2.286 179 I HA -0.189 3.981 4.170 -0.000 0.000 0.245 179 I C 2.328 178.292 176.117 -0.255 0.000 1.104 179 I CA 0.891 62.028 61.300 -0.272 0.000 1.397 179 I CB -0.307 37.591 38.000 -0.170 0.000 1.072 179 I HN 0.004 nan 8.210 nan 0.000 0.417 180 A N 0.366 123.059 122.820 -0.211 0.000 1.933 180 A HA -0.256 4.064 4.320 -0.000 0.000 0.218 180 A C 2.291 179.744 177.584 -0.219 0.000 1.175 180 A CA 1.811 53.715 52.037 -0.222 0.000 0.628 180 A CB -0.610 18.290 19.000 -0.167 0.000 0.814 180 A HN 0.508 nan 8.150 nan 0.000 0.444 181 E N -1.376 118.722 120.200 -0.169 0.000 2.085 181 E HA -0.265 4.085 4.350 -0.000 0.000 0.194 181 E C 1.849 178.398 176.600 -0.085 0.000 0.994 181 E CA 1.654 57.982 56.400 -0.120 0.000 0.801 181 E CB -0.375 29.268 29.700 -0.094 0.000 0.743 181 E HN 0.702 nan 8.360 nan 0.000 0.453 182 Y N 0.974 121.101 120.300 -0.288 0.000 2.114 182 Y HA -0.170 4.379 4.550 -0.000 0.000 0.284 182 Y C 2.096 177.887 175.900 -0.183 0.000 1.143 182 Y CA 2.022 59.952 58.100 -0.284 0.000 1.135 182 Y CB -0.429 37.630 38.460 -0.667 0.000 0.980 182 Y HN 0.028 nan 8.280 nan 0.000 0.499 183 M N 0.166 119.442 119.600 -0.541 0.000 2.159 183 M HA -0.218 4.262 4.480 -0.000 0.000 0.263 183 M C 1.706 177.837 176.300 -0.282 0.000 1.063 183 M CA 1.585 56.519 55.300 -0.610 0.000 1.110 183 M CB -0.401 31.734 32.600 -0.775 0.000 1.374 183 M HN 0.248 nan 8.290 nan 0.000 0.411 184 N N -0.448 118.082 118.700 -0.284 0.000 2.309 184 N HA -0.161 4.579 4.740 -0.000 0.000 0.182 184 N C 1.564 177.009 175.510 -0.109 0.000 1.018 184 N CA 1.162 54.015 53.050 -0.328 0.000 0.876 184 N CB -0.499 37.583 38.487 -0.674 0.000 0.972 184 N HN 0.442 nan 8.380 nan 0.000 0.434 185 H N 1.045 120.031 119.070 -0.140 0.000 2.353 185 H HA 0.083 4.639 4.556 -0.000 0.000 0.300 185 H C 2.007 177.326 175.328 -0.014 0.000 1.090 185 H CA 1.319 57.342 56.048 -0.041 0.000 1.327 185 H CB -0.288 29.465 29.762 -0.016 0.000 1.383 185 H HN 0.087 nan 8.280 nan 0.000 0.508 186 L N -0.451 120.687 121.223 -0.142 0.000 2.056 186 L HA -0.108 4.232 4.340 -0.000 0.000 0.207 186 L C 2.546 179.380 176.870 -0.060 0.000 1.078 186 L CA 1.117 55.882 54.840 -0.125 0.000 0.749 186 L CB -0.352 41.661 42.059 -0.077 0.000 0.901 186 L HN 0.302 nan 8.230 nan 0.000 0.433 187 I N 0.102 120.671 120.570 -0.002 0.000 2.179 187 I HA -0.300 3.870 4.170 -0.000 0.000 0.242 187 I C 1.946 178.084 176.117 0.035 0.000 1.088 187 I CA 1.304 62.602 61.300 -0.003 0.000 1.357 187 I CB -0.389 37.633 38.000 0.036 0.000 1.051 187 I HN 0.282 nan 8.210 nan 0.000 0.409 188 D N 0.708 121.148 120.400 0.067 0.000 2.264 188 D HA -0.082 4.558 4.640 -0.000 0.000 0.208 188 D C 2.146 178.506 176.300 0.100 0.000 0.966 188 D CA 1.055 55.125 54.000 0.117 0.000 0.864 188 D CB -0.061 40.830 40.800 0.153 0.000 0.933 188 D HN 0.384 nan 8.370 nan 0.000 0.499 189 I N -0.486 120.095 120.570 0.017 0.000 2.617 189 I HA -0.036 4.134 4.170 -0.000 0.000 0.256 189 I C 1.676 177.854 176.117 0.102 0.000 1.167 189 I CA 1.068 62.382 61.300 0.024 0.000 1.469 189 I CB 0.212 38.173 38.000 -0.065 0.000 1.098 189 I HN 0.156 nan 8.210 nan 0.000 0.436 190 G N 0.561 109.403 108.800 0.071 0.000 2.273 190 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.162 190 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.162 190 G C 0.351 175.186 174.900 -0.108 0.000 1.006 190 G CA -0.044 45.100 45.100 0.072 0.000 0.704 190 G HN 0.194 nan 8.290 nan 0.000 0.487 191 V N -0.345 119.444 119.914 -0.208 0.000 2.843 191 V HA 0.694 4.814 4.120 -0.000 0.000 0.305 191 V C 1.306 177.138 176.094 -0.437 0.000 1.065 191 V CA 1.001 63.083 62.300 -0.364 0.000 1.116 191 V CB 1.414 32.983 31.823 -0.423 0.000 0.968 191 V HN 1.358 nan 8.190 nan 0.000 0.487 192 A N 2.998 125.497 122.820 -0.535 0.000 2.238 192 A HA 0.743 5.063 4.320 -0.000 0.000 0.210 192 A C 1.175 178.581 177.584 -0.297 0.000 1.179 192 A CA 0.693 52.421 52.037 -0.516 0.000 0.827 192 A CB -0.534 18.230 19.000 -0.392 0.000 0.856 192 A HN 2.056 nan 8.150 nan 0.000 0.488 193 G N -2.010 106.559 108.800 -0.385 0.000 2.340 193 G HA2 0.487 4.447 3.960 -0.000 0.000 0.299 193 G HA3 0.487 4.447 3.960 -0.000 0.000 0.299 193 G C -1.576 172.999 174.900 -0.540 0.000 1.291 193 G CA -0.702 44.325 45.100 -0.123 0.000 0.841 193 G HN 0.187 nan 8.290 nan 0.000 0.500 194 F N -0.513 119.446 119.950 0.015 0.000 2.613 194 F HA 0.705 5.232 4.527 -0.000 0.000 0.310 194 F C 0.192 175.647 175.800 -0.575 0.000 1.085 194 F CA -0.876 57.018 58.000 -0.176 0.000 0.945 194 F CB 2.545 41.436 39.000 -0.183 0.000 1.298 194 F HN 0.493 nan 8.300 nan 0.000 0.455 195 R N 2.987 123.205 120.500 -0.470 0.000 2.255 195 R HA 0.592 4.932 4.340 -0.000 0.000 0.326 195 R C -1.684 174.440 176.300 -0.294 0.000 0.986 195 R CA -0.442 55.122 56.100 -0.893 0.000 0.847 195 R CB 0.664 30.548 30.300 -0.694 0.000 1.111 195 R HN 0.806 nan 8.270 nan 0.000 0.452 196 L N 4.602 125.684 121.223 -0.235 0.000 2.268 196 L HA 0.197 4.537 4.340 -0.000 0.000 0.289 196 L C 0.037 176.898 176.870 -0.014 0.000 1.064 196 L CA -0.643 54.145 54.840 -0.087 0.000 0.824 196 L CB 0.957 42.972 42.059 -0.074 0.000 1.202 196 L HN 0.665 nan 8.230 nan 0.000 0.433 197 D N 3.581 124.018 120.400 0.061 0.000 2.443 197 D HA 0.261 4.901 4.640 -0.000 0.000 0.239 197 D C 0.909 177.299 176.300 0.150 0.000 1.136 197 D CA 0.631 54.723 54.000 0.152 0.000 0.879 197 D CB 0.945 41.913 40.800 0.280 0.000 1.195 197 D HN 0.731 nan 8.370 nan 0.000 0.443 198 A N 2.848 125.775 122.820 0.178 0.000 2.745 198 A HA -0.243 4.077 4.320 -0.000 0.000 0.296 198 A C 1.807 179.479 177.584 0.146 0.000 1.500 198 A CA 1.174 53.354 52.037 0.238 0.000 0.766 198 A CB -2.090 17.123 19.000 0.354 0.000 1.030 198 A HN 0.457 nan 8.150 nan 0.000 0.489 199 S N -0.720 114.986 115.700 0.009 0.000 2.419 199 S HA -0.155 4.315 4.470 -0.000 0.000 0.233 199 S C 1.796 176.296 174.600 -0.167 0.000 1.016 199 S CA 1.479 59.635 58.200 -0.075 0.000 0.974 199 S CB -0.129 62.955 63.200 -0.193 0.000 0.786 199 S HN 0.853 nan 8.310 nan 0.000 0.492 200 K N 0.837 121.072 120.400 -0.275 0.000 2.147 200 K HA -0.137 4.183 4.320 -0.000 0.000 0.205 200 K C 1.091 177.480 176.600 -0.351 0.000 1.049 200 K CA 1.168 57.249 56.287 -0.342 0.000 0.936 200 K CB -0.117 32.123 32.500 -0.434 0.000 0.722 200 K HN 0.458 nan 8.250 nan 0.000 0.446 201 H N -0.397 118.651 119.070 -0.038 0.000 2.536 201 H HA 0.162 4.718 4.556 -0.000 0.000 0.276 201 H C 0.014 175.281 175.328 -0.101 0.000 1.019 201 H CA 0.416 56.418 56.048 -0.077 0.000 1.159 201 H CB -0.018 29.735 29.762 -0.015 0.000 1.373 201 H HN 0.189 nan 8.280 nan 0.000 0.584 202 M N -0.441 119.155 119.600 -0.007 0.000 2.530 202 M HA 0.200 4.680 4.480 -0.000 0.000 0.307 202 M C -1.020 175.268 176.300 -0.019 0.000 1.161 202 M CA -0.846 54.461 55.300 0.012 0.000 0.903 202 M CB 2.411 35.080 32.600 0.114 0.000 1.711 202 M HN -0.012 nan 8.290 nan 0.000 0.451 203 W N 2.036 123.379 121.300 0.073 0.000 2.216 203 W HA 0.243 4.903 4.660 -0.000 0.000 0.326 203 W C -1.784 174.712 176.519 -0.038 0.000 1.319 203 W CA -0.936 56.410 57.345 0.002 0.000 1.213 203 W CB -0.144 29.305 29.460 -0.019 0.000 1.171 203 W HN 0.480 nan 8.180 nan 0.000 0.557 204 P HA -0.204 nan 4.420 nan 0.000 0.216 204 P C 1.714 179.030 177.300 0.026 0.000 1.150 204 P CA 2.438 65.453 63.100 -0.141 0.000 0.843 204 P CB 0.095 31.555 31.700 -0.399 0.000 0.787 205 G N -0.545 108.296 108.800 0.069 0.000 2.422 205 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.218 205 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.218 205 G C 1.226 176.160 174.900 0.055 0.000 1.140 205 G CA 0.743 45.867 45.100 0.040 0.000 0.775 205 G HN 0.185 nan 8.290 nan 0.000 0.545 206 D N 0.568 121.038 120.400 0.117 0.000 2.149 206 D HA -0.025 4.615 4.640 -0.000 0.000 0.201 206 D C 2.567 178.906 176.300 0.066 0.000 0.972 206 D CA 0.305 54.362 54.000 0.096 0.000 0.835 206 D CB -0.060 40.837 40.800 0.162 0.000 0.966 206 D HN 0.353 nan 8.370 nan 0.000 0.476 207 I N 0.713 121.335 120.570 0.086 0.000 2.179 207 I HA -0.274 3.896 4.170 -0.000 0.000 0.242 207 I C 2.357 178.488 176.117 0.025 0.000 1.088 207 I CA 0.967 62.301 61.300 0.058 0.000 1.357 207 I CB -0.126 37.941 38.000 0.111 0.000 1.051 207 I HN -0.083 nan 8.210 nan 0.000 0.409 208 K N 1.669 122.088 120.400 0.032 0.000 2.063 208 K HA -0.169 4.151 4.320 -0.000 0.000 0.208 208 K C 2.058 178.657 176.600 -0.001 0.000 1.048 208 K CA 1.778 58.074 56.287 0.015 0.000 0.928 208 K CB -0.360 32.152 32.500 0.019 0.000 0.713 208 K HN 0.289 nan 8.250 nan 0.000 0.442 209 A N 0.470 123.290 122.820 0.000 0.000 1.972 209 A HA -0.100 4.220 4.320 -0.000 0.000 0.219 209 A C 2.189 179.758 177.584 -0.025 0.000 1.169 209 A CA 1.654 53.686 52.037 -0.009 0.000 0.635 209 A CB -0.601 18.395 19.000 -0.005 0.000 0.810 209 A HN 0.375 nan 8.150 nan 0.000 0.446 210 I N -0.518 120.031 120.570 -0.034 0.000 2.286 210 I HA -0.192 3.978 4.170 -0.000 0.000 0.245 210 I C 2.200 178.266 176.117 -0.085 0.000 1.104 210 I CA 0.868 62.127 61.300 -0.068 0.000 1.397 210 I CB -0.312 37.636 38.000 -0.086 0.000 1.072 210 I HN 0.265 nan 8.210 nan 0.000 0.417 211 L N 0.365 121.546 121.223 -0.070 0.000 2.191 211 L HA -0.221 4.119 4.340 -0.000 0.000 0.212 211 L C 1.864 178.706 176.870 -0.047 0.000 1.103 211 L CA 1.031 55.829 54.840 -0.070 0.000 0.769 211 L CB -0.708 41.320 42.059 -0.052 0.000 0.908 211 L HN 0.271 nan 8.230 nan 0.000 0.438 212 D N 0.398 120.779 120.400 -0.032 0.000 2.264 212 D HA -0.128 4.512 4.640 -0.000 0.000 0.208 212 D C 1.859 178.152 176.300 -0.012 0.000 0.966 212 D CA 1.066 55.057 54.000 -0.016 0.000 0.864 212 D CB 0.061 40.855 40.800 -0.009 0.000 0.933 212 D HN 0.339 nan 8.370 nan 0.000 0.499 213 K N -0.273 120.108 120.400 -0.031 0.000 2.404 213 K HA 0.064 4.384 4.320 -0.000 0.000 0.194 213 K C 0.089 176.668 176.600 -0.035 0.000 1.023 213 K CA -0.311 55.960 56.287 -0.028 0.000 1.094 213 K CB 0.623 33.090 32.500 -0.055 0.000 0.841 213 K HN -0.029 nan 8.250 nan 0.000 0.523 214 L N 1.380 122.574 121.223 -0.048 0.000 2.371 214 L HA 0.132 4.471 4.340 -0.000 0.000 0.272 214 L C 0.511 177.423 176.870 0.069 0.000 1.124 214 L CA 0.029 54.831 54.840 -0.063 0.000 0.816 214 L CB 0.391 42.404 42.059 -0.076 0.000 1.129 214 L HN 0.137 nan 8.230 nan 0.000 0.448 215 H N 1.153 120.212 119.070 -0.019 0.000 2.581 215 H HA 0.191 4.747 4.556 -0.000 0.000 0.369 215 H C -0.078 175.240 175.328 -0.017 0.000 1.351 215 H CA -0.620 55.421 56.048 -0.011 0.000 1.434 215 H CB 0.684 30.444 29.762 -0.002 0.000 1.558 215 H HN 0.596 nan 8.280 nan 0.000 0.608 216 N N -0.025 118.746 118.700 0.119 0.000 2.463 216 N HA 0.155 4.895 4.740 -0.000 0.000 0.270 216 N C -0.420 175.102 175.510 0.020 0.000 1.205 216 N CA -0.672 52.400 53.050 0.037 0.000 0.974 216 N CB 0.893 39.392 38.487 0.019 0.000 1.197 216 N HN 0.197 nan 8.380 nan 0.000 0.504 217 L N 1.102 122.277 121.223 -0.079 0.000 2.483 217 L HA 0.001 4.341 4.340 -0.000 0.000 0.275 217 L C 0.765 177.655 176.870 0.034 0.000 1.220 217 L CA -0.048 54.678 54.840 -0.191 0.000 0.833 217 L CB -0.065 41.578 42.059 -0.694 0.000 1.102 217 L HN 0.595 nan 8.230 nan 0.000 0.490 218 N N 0.158 118.954 118.700 0.161 0.000 2.374 218 N HA -0.098 4.642 4.740 -0.000 0.000 0.269 218 N C 1.042 176.756 175.510 0.340 0.000 1.310 218 N CA 0.292 53.518 53.050 0.294 0.000 0.877 218 N CB 0.610 39.365 38.487 0.447 0.000 1.096 218 N HN 0.623 nan 8.380 nan 0.000 0.484 219 S N 2.346 118.141 115.700 0.159 0.000 2.603 219 S HA -0.032 4.438 4.470 -0.000 0.000 0.229 219 S C 1.076 175.687 174.600 0.018 0.000 0.972 219 S CA 0.241 58.504 58.200 0.104 0.000 0.935 219 S CB -0.039 63.185 63.200 0.040 0.000 0.769 219 S HN 0.607 nan 8.310 nan 0.000 0.536 220 N N -0.007 118.656 118.700 -0.062 0.000 2.446 220 N HA 0.073 4.813 4.740 -0.000 0.000 0.179 220 N C 0.510 175.767 175.510 -0.421 0.000 1.054 220 N CA 0.740 53.593 53.050 -0.328 0.000 0.905 220 N CB -0.010 38.112 38.487 -0.608 0.000 0.973 220 N HN 0.609 nan 8.380 nan 0.000 0.448 221 W N -0.568 120.692 121.300 -0.067 0.000 2.835 221 W HA 0.290 4.950 4.660 -0.000 0.000 0.278 221 W C -0.285 175.923 176.519 -0.518 0.000 1.075 221 W CA -0.149 56.991 57.345 -0.341 0.000 1.439 221 W CB 0.224 29.347 29.460 -0.562 0.000 0.927 221 W HN -0.192 nan 8.180 nan 0.000 0.604 222 F N 1.745 121.801 119.950 0.176 0.000 2.538 222 F HA 0.500 5.027 4.527 -0.000 0.000 0.325 222 F C -1.747 174.083 175.800 0.050 0.000 1.066 222 F CA -2.816 55.241 58.000 0.095 0.000 0.946 222 F CB 0.081 39.127 39.000 0.076 0.000 1.199 222 F HN -0.425 nan 8.300 nan 0.000 0.473 223 P HA 0.173 nan 4.420 nan 0.000 0.272 223 P C -0.770 176.598 177.300 0.112 0.000 1.223 223 P CA -0.275 62.897 63.100 0.121 0.000 0.784 223 P CB 0.687 32.442 31.700 0.090 0.000 0.923 224 A N 1.788 124.649 122.820 0.069 0.000 2.561 224 A HA 0.377 4.697 4.320 -0.000 0.000 0.234 224 A C 1.502 179.112 177.584 0.044 0.000 1.055 224 A CA 0.808 52.875 52.037 0.050 0.000 0.756 224 A CB -1.426 17.591 19.000 0.028 0.000 0.986 224 A HN 0.947 nan 8.150 nan 0.000 0.505 225 G N 1.339 110.159 108.800 0.034 0.000 2.159 225 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.256 225 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.256 225 G C 0.421 175.335 174.900 0.023 0.000 0.977 225 G CA 0.377 45.492 45.100 0.025 0.000 0.652 225 G HN 1.213 nan 8.290 nan 0.000 0.531 226 S N 1.041 116.758 115.700 0.028 0.000 2.488 226 S HA 0.420 4.890 4.470 -0.000 0.000 0.278 226 S C 0.527 175.103 174.600 -0.039 0.000 1.259 226 S CA 0.066 58.269 58.200 0.004 0.000 1.061 226 S CB 0.985 64.192 63.200 0.012 0.000 0.910 226 S HN 0.428 nan 8.310 nan 0.000 0.491 227 K N 4.219 124.600 120.400 -0.031 0.000 2.130 227 K HA 0.371 4.691 4.320 -0.000 0.000 0.268 227 K C -2.416 174.163 176.600 -0.036 0.000 0.983 227 K CA -2.216 54.053 56.287 -0.030 0.000 0.893 227 K CB 0.863 33.350 32.500 -0.022 0.000 1.066 227 K HN 0.349 nan 8.250 nan 0.000 0.450 228 P HA -0.105 nan 4.420 nan 0.000 0.266 228 P C -0.591 176.785 177.300 0.128 0.000 1.195 228 P CA -0.080 63.032 63.100 0.021 0.000 0.768 228 P CB 0.337 32.097 31.700 0.100 0.000 0.838 229 F N 4.589 124.544 119.950 0.009 0.000 2.504 229 F HA 0.251 4.778 4.527 -0.000 0.000 0.369 229 F C -0.207 175.662 175.800 0.115 0.000 1.082 229 F CA -0.760 57.264 58.000 0.040 0.000 1.216 229 F CB -0.059 38.992 39.000 0.084 0.000 1.108 229 F HN 0.109 nan 8.300 nan 0.000 0.554 230 I N 8.753 129.165 120.570 -0.264 0.000 2.418 230 I HA 0.189 4.359 4.170 -0.000 0.000 0.287 230 I C -1.180 174.708 176.117 -0.382 0.000 1.008 230 I CA -0.763 60.372 61.300 -0.275 0.000 1.104 230 I CB 1.065 38.995 38.000 -0.117 0.000 1.264 230 I HN 0.539 nan 8.210 nan 0.000 0.438 231 Y N 3.251 123.239 120.300 -0.521 0.000 2.361 231 Y HA 0.694 5.244 4.550 -0.000 0.000 0.337 231 Y C -0.385 175.429 175.900 -0.143 0.000 0.965 231 Y CA -1.354 56.529 58.100 -0.362 0.000 1.091 231 Y CB 0.871 39.067 38.460 -0.440 0.000 1.182 231 Y HN 0.485 nan 8.280 nan 0.000 0.450 232 Q N 2.819 122.640 119.800 0.036 0.000 2.296 232 Q HA 0.163 4.502 4.340 -0.000 0.000 0.257 232 Q C -0.570 175.447 176.000 0.028 0.000 0.942 232 Q CA -0.493 55.305 55.803 -0.009 0.000 0.939 232 Q CB 1.210 29.943 28.738 -0.008 0.000 1.198 232 Q HN 0.792 nan 8.270 nan 0.000 0.429 233 E N 3.195 123.411 120.200 0.025 0.000 2.104 233 E HA 0.196 4.546 4.350 -0.000 0.000 0.278 233 E C -1.346 175.267 176.600 0.023 0.000 1.127 233 E CA -0.219 56.261 56.400 0.132 0.000 0.897 233 E CB 0.453 30.249 29.700 0.161 0.000 1.043 233 E HN 0.283 nan 8.360 nan 0.000 0.410 234 V N 7.283 127.233 119.914 0.060 0.000 2.488 234 V HA 0.251 4.371 4.120 -0.000 0.000 0.293 234 V C -0.050 176.051 176.094 0.013 0.000 1.027 234 V CA -0.636 61.598 62.300 -0.111 0.000 0.862 234 V CB 1.460 33.106 31.823 -0.295 0.000 1.008 234 V HN 0.671 nan 8.190 nan 0.000 0.428 235 I N 4.161 124.632 120.570 -0.165 0.000 2.278 235 I HA 0.281 4.451 4.170 -0.000 0.000 0.296 235 I C -0.324 175.710 176.117 -0.139 0.000 1.121 235 I CA 0.293 61.399 61.300 -0.324 0.000 1.267 235 I CB 0.469 38.123 38.000 -0.577 0.000 1.447 235 I HN 0.570 nan 8.210 nan 0.000 0.509 236 D N 7.831 128.222 120.400 -0.016 0.000 2.454 236 D HA 0.496 5.136 4.640 -0.000 0.000 0.247 236 D C -0.401 175.920 176.300 0.036 0.000 1.129 236 D CA -0.227 53.778 54.000 0.009 0.000 0.877 236 D CB 0.942 41.767 40.800 0.040 0.000 1.082 236 D HN 0.298 nan 8.370 nan 0.000 0.537 237 L N 1.651 122.881 121.223 0.011 0.000 2.727 237 L HA 0.677 5.017 4.340 -0.000 0.000 0.210 237 L C 1.580 178.468 176.870 0.030 0.000 1.934 237 L CA -1.165 53.695 54.840 0.033 0.000 2.874 237 L CB -0.569 41.499 42.059 0.016 0.000 2.806 237 L HN 0.381 nan 8.230 nan 0.000 0.676 238 G N -0.426 108.388 108.800 0.024 0.000 2.760 238 G HA2 0.216 4.176 3.960 -0.000 0.000 0.236 238 G HA3 0.216 4.176 3.960 -0.000 0.000 0.236 238 G C 0.323 175.230 174.900 0.013 0.000 1.243 238 G CA 0.095 45.206 45.100 0.019 0.000 0.850 238 G HN 0.672 nan 8.290 nan 0.000 0.595 239 G N -0.191 108.617 108.800 0.013 0.000 2.097 239 G HA2 0.335 4.295 3.960 -0.000 0.000 0.256 239 G HA3 0.335 4.295 3.960 -0.000 0.000 0.256 239 G C 0.027 174.936 174.900 0.014 0.000 1.082 239 G CA 0.325 45.433 45.100 0.013 0.000 0.956 239 G HN 0.636 nan 8.290 nan 0.000 0.420 240 E N 2.688 122.899 120.200 0.018 0.000 2.393 240 E HA 0.284 4.634 4.350 -0.000 0.000 0.273 240 E C -1.543 175.072 176.600 0.025 0.000 0.918 240 E CA -1.886 54.530 56.400 0.027 0.000 0.773 240 E CB 2.804 32.523 29.700 0.031 0.000 1.275 240 E HN 0.274 nan 8.360 nan 0.000 0.451 241 P HA -0.091 nan 4.420 nan 0.000 0.218 241 P C 0.354 177.663 177.300 0.015 0.000 1.148 241 P CA 1.142 64.254 63.100 0.020 0.000 0.822 241 P CB 0.432 32.143 31.700 0.019 0.000 0.784 242 I N 0.587 121.166 120.570 0.015 0.000 2.395 242 I HA 0.167 4.337 4.170 -0.000 0.000 0.289 242 I C 0.768 176.908 176.117 0.038 0.000 1.023 242 I CA -0.392 60.922 61.300 0.024 0.000 1.350 242 I CB 0.646 38.655 38.000 0.015 0.000 1.409 242 I HN -0.241 nan 8.210 nan 0.000 0.507 243 K N 3.793 124.222 120.400 0.047 0.000 2.259 243 K HA 0.285 4.605 4.320 -0.000 0.000 0.252 243 K C 0.744 177.386 176.600 0.069 0.000 0.936 243 K CA -0.481 55.823 56.287 0.029 0.000 0.810 243 K CB 1.954 34.443 32.500 -0.018 0.000 1.143 243 K HN 0.667 nan 8.250 nan 0.000 0.427 244 S N -0.156 115.570 115.700 0.042 0.000 2.442 244 S HA -0.168 4.302 4.470 -0.000 0.000 0.236 244 S C 1.629 176.141 174.600 -0.148 0.000 1.007 244 S CA 1.522 59.761 58.200 0.066 0.000 0.965 244 S CB -0.279 62.982 63.200 0.102 0.000 0.773 244 S HN 0.621 nan 8.310 nan 0.000 0.504 245 S N 1.907 117.336 115.700 -0.452 0.000 2.474 245 S HA -0.094 4.376 4.470 -0.000 0.000 0.235 245 S C 1.152 175.326 174.600 -0.709 0.000 0.997 245 S CA 0.876 58.344 58.200 -1.220 0.000 0.949 245 S CB -0.532 62.243 63.200 -0.709 0.000 0.766 245 S HN 0.451 nan 8.310 nan 0.000 0.517 246 D N 0.589 120.824 120.400 -0.275 0.000 2.350 246 D HA -0.018 4.622 4.640 -0.000 0.000 0.216 246 D C 0.493 176.618 176.300 -0.291 0.000 0.968 246 D CA 0.880 54.732 54.000 -0.247 0.000 0.894 246 D CB -0.236 40.403 40.800 -0.269 0.000 0.909 246 D HN 0.616 nan 8.370 nan 0.000 0.520 247 Y N -0.974 119.267 120.300 -0.098 0.000 2.458 247 Y HA 0.124 4.674 4.550 -0.000 0.000 0.256 247 Y C 1.469 177.516 175.900 0.245 0.000 1.159 247 Y CA -0.470 57.668 58.100 0.064 0.000 1.261 247 Y CB -0.076 38.430 38.460 0.077 0.000 1.119 247 Y HN -0.177 nan 8.280 nan 0.000 0.524 248 F N 0.008 120.089 119.950 0.219 0.000 2.250 248 F HA -0.100 4.427 4.527 -0.000 0.000 0.301 248 F C 2.302 178.263 175.800 0.269 0.000 1.077 248 F CA 1.066 59.194 58.000 0.213 0.000 1.348 248 F CB -1.232 37.842 39.000 0.123 0.000 1.040 248 F HN 0.121 nan 8.300 nan 0.000 0.509 249 G N -0.808 108.216 108.800 0.374 0.000 2.679 249 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.212 249 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.212 249 G C 1.486 176.517 174.900 0.218 0.000 1.137 249 G CA 0.402 45.673 45.100 0.284 0.000 0.787 249 G HN 0.265 nan 8.290 nan 0.000 0.534 250 N N 0.084 118.914 118.700 0.216 0.000 2.368 250 N HA 0.244 4.984 4.740 -0.000 0.000 0.178 250 N C 1.097 176.615 175.510 0.014 0.000 1.076 250 N CA 0.970 54.081 53.050 0.102 0.000 0.889 250 N CB 1.391 39.957 38.487 0.132 0.000 1.040 250 N HN 0.420 nan 8.380 nan 0.000 0.463 251 G N -0.125 108.762 108.800 0.145 0.000 2.368 251 G HA2 0.103 4.063 3.960 -0.000 0.000 0.269 251 G HA3 0.103 4.063 3.960 -0.000 0.000 0.269 251 G C -1.322 173.790 174.900 0.352 0.000 1.291 251 G CA -0.889 44.247 45.100 0.059 0.000 0.903 251 G HN -0.049 nan 8.290 nan 0.000 0.483 252 R N -0.888 119.756 120.500 0.240 0.000 2.649 252 R HA 0.621 4.961 4.340 -0.000 0.000 0.270 252 R C 0.045 176.471 176.300 0.210 0.000 1.105 252 R CA -0.003 56.231 56.100 0.224 0.000 1.193 252 R CB 1.299 31.696 30.300 0.162 0.000 1.120 252 R HN 1.039 nan 8.270 nan 0.000 0.561 253 V N -2.672 117.377 119.914 0.224 0.000 2.962 253 V HA 0.436 4.556 4.120 -0.000 0.000 0.313 253 V C 0.024 176.237 176.094 0.199 0.000 1.099 253 V CA -1.123 61.310 62.300 0.221 0.000 0.971 253 V CB 1.809 33.802 31.823 0.283 0.000 1.028 253 V HN 0.913 nan 8.190 nan 0.000 0.430 254 T N -0.185 114.501 114.554 0.220 0.000 2.834 254 T HA 0.421 4.771 4.350 -0.000 0.000 0.298 254 T C -0.114 174.690 174.700 0.174 0.000 0.966 254 T CA 0.017 62.254 62.100 0.228 0.000 1.141 254 T CB 0.910 69.943 68.868 0.274 0.000 0.905 254 T HN 1.019 nan 8.240 nan 0.000 0.535 255 E N 2.511 122.710 120.200 -0.003 0.000 2.042 255 E HA 0.312 4.662 4.350 -0.000 0.000 0.260 255 E C -0.388 176.035 176.600 -0.295 0.000 0.975 255 E CA -1.118 55.233 56.400 -0.083 0.000 0.799 255 E CB -0.518 29.117 29.700 -0.109 0.000 1.131 255 E HN 0.663 nan 8.360 nan 0.000 0.423 256 F N 2.509 122.378 119.950 -0.134 0.000 2.502 256 F HA 0.016 4.543 4.527 0.000 0.000 0.298 256 F C 1.662 177.333 175.800 -0.215 0.000 1.111 256 F CA 0.755 58.661 58.000 -0.156 0.000 1.445 256 F CB 0.162 39.165 39.000 0.006 0.000 1.081 256 F HN 0.385 nan 8.300 nan 0.000 0.558 257 K N -1.049 119.271 120.400 -0.133 0.000 2.283 257 K HA -0.202 4.118 4.320 -0.000 0.000 0.202 257 K C 1.731 178.056 176.600 -0.458 0.000 1.048 257 K CA 1.022 57.181 56.287 -0.213 0.000 0.948 257 K CB -0.378 32.006 32.500 -0.193 0.000 0.742 257 K HN 0.257 nan 8.250 nan 0.000 0.458 258 Y N 1.440 121.208 120.300 -0.887 0.000 2.070 258 Y HA -0.213 4.336 4.550 -0.000 0.000 0.280 258 Y C 2.428 178.183 175.900 -0.242 0.000 1.148 258 Y CA 2.014 59.660 58.100 -0.757 0.000 1.125 258 Y CB -0.730 37.304 38.460 -0.711 0.000 0.975 258 Y HN 0.034 nan 8.280 nan 0.000 0.492 259 G N -0.670 108.077 108.800 -0.087 0.000 2.408 259 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.217 259 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.217 259 G C 1.787 176.667 174.900 -0.032 0.000 1.150 259 G CA 0.887 45.956 45.100 -0.051 0.000 0.776 259 G HN 0.618 nan 8.290 nan 0.000 0.542 260 A N 0.814 123.629 122.820 -0.008 0.000 1.877 260 A HA 0.003 4.323 4.320 -0.000 0.000 0.216 260 A C 2.376 179.980 177.584 0.033 0.000 1.186 260 A CA 1.913 53.970 52.037 0.033 0.000 0.620 260 A CB -0.252 18.794 19.000 0.077 0.000 0.822 260 A HN 0.197 nan 8.150 nan 0.000 0.443 261 K N -0.730 119.725 120.400 0.090 0.000 2.155 261 K HA 0.011 4.331 4.320 -0.000 0.000 0.203 261 K C 1.814 178.412 176.600 -0.002 0.000 1.052 261 K CA 0.813 57.210 56.287 0.183 0.000 0.948 261 K CB -0.797 31.979 32.500 0.460 0.000 0.728 261 K HN 0.420 nan 8.250 nan 0.000 0.448 262 L N 0.812 121.959 121.223 -0.126 0.000 2.093 262 L HA -0.024 4.316 4.340 -0.000 0.000 0.208 262 L C 2.034 178.686 176.870 -0.363 0.000 1.085 262 L CA 1.928 56.491 54.840 -0.461 0.000 0.755 262 L CB -0.995 40.761 42.059 -0.506 0.000 0.904 262 L HN 0.221 nan 8.230 nan 0.000 0.435 263 G N -1.706 106.948 108.800 -0.243 0.000 2.418 263 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.217 263 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.217 263 G C 1.545 176.191 174.900 -0.423 0.000 1.158 263 G CA 1.335 46.260 45.100 -0.292 0.000 0.771 263 G HN 0.503 nan 8.290 nan 0.000 0.545 264 T N -1.117 113.250 114.554 -0.310 0.000 2.867 264 T HA -0.028 4.322 4.350 -0.000 0.000 0.268 264 T C 2.277 176.860 174.700 -0.195 0.000 1.057 264 T CA 1.386 63.320 62.100 -0.277 0.000 1.136 264 T CB -0.290 68.603 68.868 0.041 0.000 0.874 264 T HN 0.010 nan 8.240 nan 0.000 0.466 265 V N 1.012 120.814 119.914 -0.187 0.000 2.323 265 V HA -0.017 4.103 4.120 -0.000 0.000 0.244 265 V C 2.637 178.556 176.094 -0.293 0.000 1.041 265 V CA 1.312 63.494 62.300 -0.196 0.000 1.025 265 V CB -0.590 31.052 31.823 -0.301 0.000 0.656 265 V HN 0.364 nan 8.190 nan 0.000 0.451 266 I N -0.150 120.191 120.570 -0.382 0.000 2.315 266 I HA -0.152 4.018 4.170 -0.000 0.000 0.248 266 I C 2.432 178.376 176.117 -0.290 0.000 1.117 266 I CA 1.525 62.608 61.300 -0.362 0.000 1.404 266 I CB -0.526 37.252 38.000 -0.372 0.000 1.071 266 I HN 0.165 nan 8.210 nan 0.000 0.419 267 R N 0.531 120.812 120.500 -0.366 0.000 2.307 267 R HA 0.033 4.373 4.340 -0.000 0.000 0.199 267 R C 0.298 176.515 176.300 -0.138 0.000 1.000 267 R CA 0.119 55.995 56.100 -0.374 0.000 1.023 267 R CB -0.078 29.652 30.300 -0.952 0.000 0.908 267 R HN 0.199 nan 8.270 nan 0.000 0.473 268 K N -0.540 119.795 120.400 -0.109 0.000 3.117 268 K HA -0.160 4.160 4.320 -0.000 0.000 0.269 268 K C -1.020 175.722 176.600 0.236 0.000 1.098 268 K CA 0.360 56.664 56.287 0.029 0.000 0.785 268 K CB -1.002 31.504 32.500 0.010 0.000 1.242 268 K HN 0.136 nan 8.250 nan 0.000 0.491 269 W N 0.777 122.068 121.300 -0.015 0.000 2.237 269 W HA 0.215 4.875 4.660 0.000 0.000 0.335 269 W C 1.152 177.684 176.519 0.020 0.000 1.230 269 W CA -0.632 56.714 57.345 0.001 0.000 1.253 269 W CB 0.026 29.488 29.460 0.003 0.000 1.129 269 W HN 0.221 nan 8.180 nan 0.000 0.590 270 N N 0.243 119.069 118.700 0.209 0.000 2.714 270 N HA -0.178 4.562 4.740 -0.000 0.000 0.250 270 N C 0.795 176.382 175.510 0.127 0.000 1.117 270 N CA 1.943 55.072 53.050 0.132 0.000 0.719 270 N CB -1.422 37.153 38.487 0.146 0.000 1.081 270 N HN 0.914 nan 8.380 nan 0.000 0.557 271 G N -1.390 107.483 108.800 0.122 0.000 2.155 271 G HA2 -0.363 3.597 3.960 -0.000 0.000 0.257 271 G HA3 -0.363 3.597 3.960 -0.000 0.000 0.257 271 G C -0.135 174.851 174.900 0.142 0.000 0.983 271 G CA 0.632 45.798 45.100 0.111 0.000 0.676 271 G HN 0.605 nan 8.290 nan 0.000 0.528 272 E N 0.442 120.737 120.200 0.159 0.000 2.373 272 E HA 0.492 4.842 4.350 -0.000 0.000 0.263 272 E C 0.524 177.104 176.600 -0.033 0.000 1.073 272 E CA 0.131 56.642 56.400 0.185 0.000 0.894 272 E CB 0.723 30.555 29.700 0.220 0.000 1.008 272 E HN 0.660 nan 8.360 nan 0.000 0.420 273 K N 1.116 121.371 120.400 -0.241 0.000 2.512 273 K HA 0.339 4.659 4.320 -0.000 0.000 0.263 273 K C 0.437 176.853 176.600 -0.307 0.000 0.966 273 K CA -0.831 55.254 56.287 -0.336 0.000 0.851 273 K CB 1.102 33.331 32.500 -0.451 0.000 1.395 273 K HN 0.325 nan 8.250 nan 0.000 0.440 274 M N 1.199 120.633 119.600 -0.277 0.000 2.358 274 M HA -0.153 4.327 4.480 -0.000 0.000 0.264 274 M C 1.770 178.039 176.300 -0.052 0.000 1.064 274 M CA 1.919 57.063 55.300 -0.261 0.000 1.093 274 M CB -0.351 32.048 32.600 -0.335 0.000 1.401 274 M HN 0.863 nan 8.290 nan 0.000 0.440 275 S N -0.386 115.276 115.700 -0.064 0.000 2.442 275 S HA -0.148 4.322 4.470 -0.000 0.000 0.236 275 S C 1.455 176.243 174.600 0.313 0.000 1.007 275 S CA 0.787 59.088 58.200 0.168 0.000 0.965 275 S CB -0.657 62.559 63.200 0.026 0.000 0.773 275 S HN 0.448 nan 8.310 nan 0.000 0.504 276 Y N 1.649 122.044 120.300 0.158 0.000 2.571 276 Y HA 0.331 4.881 4.550 -0.000 0.000 0.294 276 Y C 1.720 177.795 175.900 0.293 0.000 1.141 276 Y CA -0.760 57.456 58.100 0.193 0.000 1.308 276 Y CB -0.761 37.827 38.460 0.213 0.000 1.002 276 Y HN 0.293 nan 8.280 nan 0.000 0.551 277 L N -0.088 121.291 121.223 0.260 0.000 2.610 277 L HA -0.089 4.251 4.340 -0.000 0.000 0.232 277 L C 2.291 179.061 176.870 -0.166 0.000 1.149 277 L CA 0.520 55.356 54.840 -0.006 0.000 0.872 277 L CB -0.346 41.495 42.059 -0.362 0.000 0.992 277 L HN 0.116 nan 8.230 nan 0.000 0.447 278 K N 1.803 121.953 120.400 -0.417 0.000 2.074 278 K HA -0.196 4.123 4.320 -0.000 0.000 0.209 278 K C 1.169 177.475 176.600 -0.490 0.000 1.048 278 K CA 1.818 57.462 56.287 -1.072 0.000 0.926 278 K CB 0.067 32.099 32.500 -0.780 0.000 0.713 278 K HN 0.430 nan 8.250 nan 0.000 0.444 279 N N -0.284 118.337 118.700 -0.131 0.000 2.458 279 N HA -0.072 4.668 4.740 -0.000 0.000 0.274 279 N C -0.636 174.900 175.510 0.044 0.000 1.242 279 N CA -0.502 52.519 53.050 -0.049 0.000 0.904 279 N CB -0.544 37.933 38.487 -0.016 0.000 1.206 279 N HN 0.255 nan 8.380 nan 0.000 0.510 280 W N 1.467 122.541 121.300 -0.377 0.000 2.231 280 W HA 0.309 4.969 4.660 -0.000 0.000 0.341 280 W C 0.524 176.648 176.519 -0.659 0.000 1.298 280 W CA 2.115 58.979 57.345 -0.802 0.000 1.266 280 W CB 0.461 29.423 29.460 -0.830 0.000 1.172 280 W HN 0.474 nan 8.180 nan 0.000 0.568 281 G N 3.592 111.540 108.800 -1.422 0.000 2.395 281 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.201 281 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.201 281 G C 0.462 174.878 174.900 -0.807 0.000 1.206 281 G CA 0.067 44.475 45.100 -1.153 0.000 1.210 281 G HN 0.519 nan 8.290 nan 0.000 0.557 282 E N 0.549 120.593 120.200 -0.260 0.000 2.160 282 E HA -0.037 4.313 4.350 -0.000 0.000 0.195 282 E C 2.511 178.995 176.600 -0.194 0.000 0.991 282 E CA 1.212 57.548 56.400 -0.107 0.000 0.810 282 E CB -0.431 29.295 29.700 0.044 0.000 0.742 282 E HN 0.731 nan 8.360 nan 0.000 0.466 283 G N -0.046 108.641 108.800 -0.189 0.000 2.501 283 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.220 283 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.220 283 G C 0.517 175.296 174.900 -0.201 0.000 1.114 283 G CA 0.264 45.279 45.100 -0.141 0.000 0.757 283 G HN 0.267 nan 8.290 nan 0.000 0.559 284 W N -0.163 120.701 121.300 -0.727 0.000 3.330 284 W HA 0.446 5.106 4.660 -0.000 0.000 0.348 284 W C 1.570 177.669 176.519 -0.701 0.000 1.205 284 W CA -0.335 56.498 57.345 -0.854 0.000 1.841 284 W CB 0.090 28.670 29.460 -1.467 0.000 1.084 284 W HN 0.289 nan 8.180 nan 0.000 0.665 285 G N -0.380 108.250 108.800 -0.284 0.000 2.137 285 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.237 285 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.237 285 G C -0.051 174.949 174.900 0.166 0.000 1.002 285 G CA -0.508 44.557 45.100 -0.057 0.000 0.702 285 G HN -0.011 nan 8.290 nan 0.000 0.515 286 F N 0.084 119.993 119.950 -0.069 0.000 2.368 286 F HA 0.656 5.183 4.527 -0.000 0.000 0.315 286 F C 1.407 177.266 175.800 0.099 0.000 1.145 286 F CA -1.459 56.514 58.000 -0.044 0.000 1.095 286 F CB 0.328 39.165 39.000 -0.273 0.000 1.286 286 F HN 0.330 nan 8.300 nan 0.000 0.530 287 V N -0.560 119.596 119.914 0.403 0.000 3.237 287 V HA 0.299 4.418 4.120 -0.000 0.000 0.305 287 V C -2.515 173.756 176.094 0.296 0.000 1.096 287 V CA -1.834 60.693 62.300 0.378 0.000 1.130 287 V CB -0.362 31.723 31.823 0.436 0.000 1.048 287 V HN 0.505 nan 8.190 nan 0.000 0.484 288 P HA 0.067 nan 4.420 nan 0.000 0.266 288 P C 0.978 178.210 177.300 -0.113 0.000 1.195 288 P CA 0.636 63.734 63.100 -0.002 0.000 0.768 288 P CB 0.701 32.310 31.700 -0.152 0.000 0.838 289 S N 2.395 117.994 115.700 -0.168 0.000 2.387 289 S HA -0.197 4.273 4.470 -0.000 0.000 0.230 289 S C 1.295 175.674 174.600 -0.368 0.000 1.035 289 S CA 1.950 59.842 58.200 -0.513 0.000 1.014 289 S CB -0.900 62.077 63.200 -0.371 0.000 0.836 289 S HN 0.625 nan 8.310 nan 0.000 0.466 290 D N -0.354 119.890 120.400 -0.260 0.000 2.378 290 D HA -0.021 4.619 4.640 -0.000 0.000 0.227 290 D C 1.274 177.421 176.300 -0.254 0.000 1.012 290 D CA 0.273 54.134 54.000 -0.231 0.000 0.905 290 D CB -0.227 40.439 40.800 -0.223 0.000 0.895 290 D HN 0.291 nan 8.370 nan 0.000 0.532 291 R N -0.236 120.088 120.500 -0.292 0.000 2.549 291 R HA 0.423 4.763 4.340 -0.000 0.000 0.344 291 R C -0.082 176.167 176.300 -0.085 0.000 0.979 291 R CA -0.209 55.733 56.100 -0.263 0.000 1.140 291 R CB 0.917 30.789 30.300 -0.714 0.000 1.377 291 R HN 0.162 nan 8.270 nan 0.000 0.541 292 A N 1.687 124.436 122.820 -0.120 0.000 2.292 292 A HA 0.536 4.856 4.320 -0.000 0.000 0.319 292 A C -0.600 176.967 177.584 -0.029 0.000 1.206 292 A CA -0.464 51.533 52.037 -0.067 0.000 0.835 292 A CB 0.963 19.859 19.000 -0.173 0.000 1.164 292 A HN 0.115 nan 8.150 nan 0.000 0.505 293 L N 5.192 126.433 121.223 0.030 0.000 2.298 293 L HA 0.648 4.987 4.340 -0.000 0.000 0.284 293 L C -0.408 176.473 176.870 0.017 0.000 1.013 293 L CA -0.348 54.523 54.840 0.051 0.000 0.824 293 L CB 0.914 42.984 42.059 0.019 0.000 1.221 293 L HN 0.681 nan 8.230 nan 0.000 0.418 294 V N 3.226 123.076 119.914 -0.107 0.000 2.881 294 V HA 0.845 4.965 4.120 -0.000 0.000 0.316 294 V C -0.709 175.303 176.094 -0.136 0.000 1.070 294 V CA -0.596 61.470 62.300 -0.390 0.000 0.976 294 V CB 1.862 33.124 31.823 -0.935 0.000 1.038 294 V HN 0.745 nan 8.190 nan 0.000 0.446 295 F N -0.708 119.036 119.950 -0.343 0.000 2.744 295 F HA 0.739 5.266 4.527 -0.000 0.000 0.311 295 F C -0.049 175.747 175.800 -0.007 0.000 1.144 295 F CA -0.849 57.056 58.000 -0.158 0.000 0.938 295 F CB 0.655 39.572 39.000 -0.139 0.000 1.292 295 F HN 0.245 nan 8.300 nan 0.000 0.444 296 V N 0.062 120.087 119.914 0.186 0.000 2.379 296 V HA 0.063 4.182 4.120 -0.000 0.000 0.243 296 V C 0.090 176.341 176.094 0.261 0.000 1.035 296 V CA 1.946 64.345 62.300 0.164 0.000 1.035 296 V CB -0.495 31.394 31.823 0.111 0.000 0.673 296 V HN 0.916 nan 8.190 nan 0.000 0.457 297 D N -0.467 120.180 120.400 0.412 0.000 2.570 297 D HA 0.313 4.953 4.640 -0.000 0.000 0.244 297 D C -1.091 175.411 176.300 0.336 0.000 1.178 297 D CA -0.606 53.622 54.000 0.381 0.000 0.881 297 D CB 1.879 42.850 40.800 0.284 0.000 1.453 297 D HN 0.283 nan 8.370 nan 0.000 0.447 298 N N -1.762 117.038 118.700 0.167 0.000 2.761 298 N HA 0.124 4.863 4.740 -0.000 0.000 0.283 298 N C 1.160 176.590 175.510 -0.133 0.000 1.377 298 N CA -0.506 52.515 53.050 -0.049 0.000 0.791 298 N CB 0.366 38.676 38.487 -0.295 0.000 1.540 298 N HN 0.558 nan 8.380 nan 0.000 0.539 299 H N -1.055 117.814 119.070 -0.334 0.000 2.457 299 H HA -0.044 4.512 4.556 -0.000 0.000 0.297 299 H C -0.182 174.756 175.328 -0.649 0.000 1.092 299 H CA 1.432 57.026 56.048 -0.756 0.000 1.309 299 H CB -0.162 28.845 29.762 -1.258 0.000 1.382 299 H HN 0.527 nan 8.280 nan 0.000 0.535 300 D N 1.484 121.348 120.400 -0.893 0.000 2.107 300 D HA -0.127 4.513 4.640 -0.000 0.000 0.204 300 D C 1.897 178.120 176.300 -0.128 0.000 0.978 300 D CA 1.471 55.184 54.000 -0.478 0.000 0.852 300 D CB -0.315 40.297 40.800 -0.313 0.000 1.008 300 D HN 0.566 nan 8.370 nan 0.000 0.458 301 N N 1.200 119.887 118.700 -0.022 0.000 2.571 301 N HA -0.151 4.589 4.740 -0.000 0.000 0.189 301 N C 1.433 177.000 175.510 0.096 0.000 1.154 301 N CA 0.555 53.660 53.050 0.091 0.000 0.907 301 N CB -0.636 37.965 38.487 0.190 0.000 0.977 301 N HN 0.378 nan 8.380 nan 0.000 0.449 302 Q N 0.573 120.399 119.800 0.044 0.000 2.378 302 Q HA -0.017 4.323 4.340 -0.000 0.000 0.205 302 Q C 0.669 176.807 176.000 0.230 0.000 0.954 302 Q CA 0.479 56.356 55.803 0.125 0.000 0.901 302 Q CB -0.065 28.734 28.738 0.102 0.000 0.981 302 Q HN 0.546 nan 8.270 nan 0.000 0.483 303 R N -0.592 119.974 120.500 0.110 0.000 2.700 303 R HA 0.437 4.777 4.340 -0.000 0.000 0.377 303 R C 0.591 176.970 176.300 0.131 0.000 1.130 303 R CA 0.021 56.219 56.100 0.162 0.000 1.055 303 R CB 0.283 30.497 30.300 -0.143 0.000 1.387 303 R HN 0.205 nan 8.270 nan 0.000 0.580 304 G N 1.204 110.081 108.800 0.127 0.000 2.180 304 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.263 304 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.263 304 G C 0.303 175.211 174.900 0.013 0.000 0.989 304 G CA 0.507 45.653 45.100 0.077 0.000 0.692 304 G HN 0.591 nan 8.290 nan 0.000 0.526 305 H N 0.600 119.723 119.070 0.088 0.000 2.645 305 H HA 0.441 4.997 4.556 -0.000 0.000 0.300 305 H C 1.290 176.642 175.328 0.039 0.000 1.065 305 H CA 1.286 57.396 56.048 0.103 0.000 1.173 305 H CB -0.000 29.904 29.762 0.237 0.000 1.383 305 H HN 0.800 nan 8.280 nan 0.000 0.566 306 G N -1.099 107.763 108.800 0.103 0.000 2.427 306 G HA2 0.401 4.361 3.960 -0.000 0.000 0.306 306 G HA3 0.401 4.361 3.960 -0.000 0.000 0.306 306 G C -1.246 173.661 174.900 0.012 0.000 1.280 306 G CA -0.290 44.829 45.100 0.033 0.000 0.837 306 G HN 0.287 nan 8.290 nan 0.000 0.482 307 A N -0.987 121.793 122.820 -0.068 0.000 2.546 307 A HA 0.573 4.893 4.320 -0.000 0.000 0.243 307 A C 1.500 179.155 177.584 0.119 0.000 1.063 307 A CA 1.794 53.800 52.037 -0.051 0.000 0.757 307 A CB -0.216 18.620 19.000 -0.273 0.000 0.991 307 A HN 2.783 nan 8.150 nan 0.000 0.503 308 G N 1.155 110.014 108.800 0.099 0.000 2.491 308 G HA2 0.241 4.201 3.960 -0.000 0.000 0.203 308 G HA3 0.241 4.201 3.960 -0.000 0.000 0.203 308 G C 1.723 176.689 174.900 0.110 0.000 1.052 308 G CA 0.829 46.002 45.100 0.123 0.000 0.675 308 G HN 2.830 nan 8.290 nan 0.000 0.504 309 G N 0.629 109.490 108.800 0.102 0.000 2.583 309 G HA2 0.084 4.044 3.960 -0.000 0.000 0.292 309 G HA3 0.084 4.044 3.960 -0.000 0.000 0.292 309 G C 1.610 176.592 174.900 0.137 0.000 1.203 309 G CA 2.608 47.772 45.100 0.107 0.000 0.987 309 G HN 2.044 nan 8.290 nan 0.000 0.554 310 A N -0.336 122.594 122.820 0.184 0.000 2.015 310 A HA 0.223 4.543 4.320 -0.000 0.000 0.219 310 A C 2.741 180.473 177.584 0.247 0.000 1.163 310 A CA 3.177 55.370 52.037 0.261 0.000 0.646 310 A CB -0.720 18.479 19.000 0.332 0.000 0.806 310 A HN 2.105 nan 8.150 nan 0.000 0.448 311 S N -0.396 115.381 115.700 0.129 0.000 2.453 311 S HA 0.076 4.545 4.470 -0.000 0.000 0.231 311 S C 0.796 175.267 174.600 -0.214 0.000 1.005 311 S CA -0.111 57.907 58.200 -0.303 0.000 0.949 311 S CB -0.484 62.581 63.200 -0.226 0.000 0.774 311 S HN 0.276 nan 8.310 nan 0.000 0.510 312 I N 3.007 123.559 120.570 -0.031 0.000 2.821 312 I HA 0.067 4.237 4.170 -0.000 0.000 0.294 312 I C 0.339 176.469 176.117 0.022 0.000 1.210 312 I CA 0.085 61.399 61.300 0.023 0.000 1.430 312 I CB -0.568 37.492 38.000 0.100 0.000 1.356 312 I HN 0.341 nan 8.210 nan 0.000 0.563 313 L N 7.058 128.317 121.223 0.060 0.000 2.312 313 L HA 0.461 4.801 4.340 -0.000 0.000 0.281 313 L C 0.642 177.619 176.870 0.178 0.000 1.070 313 L CA -0.273 54.642 54.840 0.125 0.000 0.805 313 L CB 1.567 43.732 42.059 0.178 0.000 1.174 313 L HN 0.774 nan 8.230 nan 0.000 0.434 314 T N -1.971 112.544 114.554 -0.065 0.000 2.716 314 T HA 0.336 4.686 4.350 -0.000 0.000 0.286 314 T C 0.771 174.933 174.700 -0.897 0.000 1.052 314 T CA -0.629 61.157 62.100 -0.523 0.000 1.024 314 T CB 0.749 69.474 68.868 -0.240 0.000 1.349 314 T HN 0.419 nan 8.240 nan 0.000 0.525 315 F N -1.109 118.289 119.950 -0.921 0.000 2.307 315 F HA 0.153 4.680 4.527 0.000 0.000 0.301 315 F C 1.717 177.431 175.800 -0.144 0.000 1.076 315 F CA 0.080 57.780 58.000 -0.501 0.000 1.383 315 F CB -1.066 37.691 39.000 -0.405 0.000 1.055 315 F HN 0.554 nan 8.300 nan 0.000 0.526 316 W N 1.572 122.404 121.300 -0.780 0.000 2.374 316 W HA -0.120 4.541 4.660 0.001 0.000 0.288 316 W C 0.818 177.248 176.519 -0.148 0.000 1.218 316 W CA 0.941 58.007 57.345 -0.465 0.000 1.245 316 W CB -0.228 28.905 29.460 -0.545 0.000 1.126 316 W HN -0.020 nan 8.180 nan 0.000 0.545 317 D N 0.125 120.587 120.400 0.103 0.000 3.179 317 D HA 0.241 4.881 4.640 -0.000 0.000 0.267 317 D C 1.501 177.927 176.300 0.210 0.000 1.348 317 D CA 0.343 54.420 54.000 0.129 0.000 0.897 317 D CB 0.062 40.917 40.800 0.092 0.000 1.062 317 D HN 0.029 nan 8.370 nan 0.000 0.494 318 A N 1.438 124.407 122.820 0.249 0.000 1.906 318 A HA -0.353 3.967 4.320 -0.000 0.000 0.222 318 A C 2.193 179.968 177.584 0.318 0.000 1.282 318 A CA 1.965 54.211 52.037 0.348 0.000 0.675 318 A CB -0.498 18.602 19.000 0.167 0.000 0.838 318 A HN 0.351 nan 8.150 nan 0.000 0.469 319 R N -0.648 119.965 120.500 0.187 0.000 2.080 319 R HA -0.083 4.257 4.340 -0.000 0.000 0.236 319 R C 2.148 178.541 176.300 0.156 0.000 1.137 319 R CA 1.882 58.077 56.100 0.160 0.000 0.943 319 R CB -0.392 29.968 30.300 0.100 0.000 0.846 319 R HN 0.578 nan 8.270 nan 0.000 0.431 320 L N -0.747 120.549 121.223 0.121 0.000 2.156 320 L HA -0.143 4.197 4.340 -0.000 0.000 0.208 320 L C 2.262 179.183 176.870 0.086 0.000 1.095 320 L CA 0.787 55.657 54.840 0.049 0.000 0.770 320 L CB -0.527 41.533 42.059 0.003 0.000 0.914 320 L HN 0.279 nan 8.230 nan 0.000 0.439 321 Y N 1.454 121.794 120.300 0.067 0.000 2.145 321 Y HA -0.261 4.289 4.550 -0.000 0.000 0.286 321 Y C 2.543 178.515 175.900 0.119 0.000 1.145 321 Y CA 1.556 59.713 58.100 0.096 0.000 1.148 321 Y CB -0.123 38.448 38.460 0.185 0.000 0.981 321 Y HN -0.011 nan 8.280 nan 0.000 0.507 322 K N -0.501 120.038 120.400 0.233 0.000 2.103 322 K HA -0.243 4.077 4.320 -0.000 0.000 0.207 322 K C 2.255 178.832 176.600 -0.039 0.000 1.048 322 K CA 1.890 58.301 56.287 0.206 0.000 0.930 322 K CB -0.290 32.474 32.500 0.440 0.000 0.716 322 K HN 0.407 nan 8.250 nan 0.000 0.444 323 M N 0.335 119.816 119.600 -0.198 0.000 2.175 323 M HA -0.126 4.354 4.480 -0.000 0.000 0.264 323 M C 2.091 178.153 176.300 -0.397 0.000 1.063 323 M CA 1.460 56.408 55.300 -0.587 0.000 1.119 323 M CB 0.002 32.376 32.600 -0.376 0.000 1.377 323 M HN 0.177 nan 8.290 nan 0.000 0.415 324 A N -0.653 121.992 122.820 -0.292 0.000 1.873 324 A HA -0.096 4.223 4.320 -0.000 0.000 0.215 324 A C 2.019 179.496 177.584 -0.179 0.000 1.186 324 A CA 1.741 53.615 52.037 -0.271 0.000 0.616 324 A CB -1.079 17.781 19.000 -0.234 0.000 0.823 324 A HN 0.371 nan 8.150 nan 0.000 0.442 325 V N 0.026 119.788 119.914 -0.253 0.000 2.407 325 V HA -0.169 3.951 4.120 -0.000 0.000 0.248 325 V C 2.774 178.838 176.094 -0.050 0.000 1.055 325 V CA 1.845 64.034 62.300 -0.185 0.000 1.049 325 V CB -1.374 30.269 31.823 -0.300 0.000 0.662 325 V HN 0.621 nan 8.190 nan 0.000 0.455 326 G N -0.825 107.945 108.800 -0.050 0.000 2.421 326 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.216 326 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.216 326 G C 1.573 176.544 174.900 0.119 0.000 1.171 326 G CA 1.021 46.146 45.100 0.042 0.000 0.775 326 G HN 0.483 nan 8.290 nan 0.000 0.543 327 F N 0.913 120.853 119.950 -0.017 0.000 2.134 327 F HA -0.030 4.497 4.527 0.000 0.000 0.299 327 F C 2.657 178.516 175.800 0.098 0.000 1.097 327 F CA 2.111 60.116 58.000 0.008 0.000 1.264 327 F CB -0.100 38.616 39.000 -0.474 0.000 1.001 327 F HN 0.165 nan 8.300 nan 0.000 0.479 328 M N -0.012 119.712 119.600 0.207 0.000 2.065 328 M HA -0.227 4.253 4.480 -0.000 0.000 0.259 328 M C 2.001 178.379 176.300 0.131 0.000 1.069 328 M CA 1.957 57.410 55.300 0.256 0.000 1.110 328 M CB -0.465 32.285 32.600 0.250 0.000 1.328 328 M HN 0.287 nan 8.290 nan 0.000 0.405 329 L N 0.016 121.271 121.223 0.053 0.000 2.201 329 L HA -0.116 4.224 4.340 -0.000 0.000 0.212 329 L C 2.591 179.494 176.870 0.055 0.000 1.105 329 L CA 0.904 55.756 54.840 0.021 0.000 0.775 329 L CB -0.778 41.273 42.059 -0.014 0.000 0.913 329 L HN 0.446 nan 8.230 nan 0.000 0.440 330 A N -2.092 120.739 122.820 0.017 0.000 2.030 330 A HA -0.073 4.247 4.320 -0.000 0.000 0.215 330 A C 1.189 178.969 177.584 0.326 0.000 1.164 330 A CA 0.196 52.289 52.037 0.093 0.000 0.697 330 A CB -0.343 18.563 19.000 -0.156 0.000 0.827 330 A HN 0.293 nan 8.150 nan 0.000 0.457 331 H N 1.034 120.152 119.070 0.080 0.000 2.683 331 H HA 0.164 4.720 4.556 -0.000 0.000 0.339 331 H C -1.630 173.759 175.328 0.102 0.000 1.081 331 H CA -1.377 54.666 56.048 -0.008 0.000 1.432 331 H CB 1.457 31.046 29.762 -0.289 0.000 1.462 331 H HN 0.106 nan 8.280 nan 0.000 0.557 332 P HA -0.168 nan 4.420 nan 0.000 0.222 332 P C 0.334 177.745 177.300 0.185 0.000 1.147 332 P CA 0.679 63.809 63.100 0.050 0.000 0.790 332 P CB -0.126 31.547 31.700 -0.045 0.000 0.780 333 Y N 2.269 122.771 120.300 0.336 0.000 2.620 333 Y HA 0.298 4.848 4.550 -0.000 0.000 0.330 333 Y C 1.327 177.282 175.900 0.092 0.000 1.186 333 Y CA 1.328 59.556 58.100 0.212 0.000 1.467 333 Y CB -0.393 38.197 38.460 0.216 0.000 1.262 333 Y HN 0.323 nan 8.280 nan 0.000 0.550 334 G N 4.637 113.053 108.800 -0.640 0.000 2.806 334 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.236 334 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.236 334 G C -1.293 173.532 174.900 -0.125 0.000 1.387 334 G CA -0.159 44.661 45.100 -0.467 0.000 0.884 334 G HN 0.960 nan 8.290 nan 0.000 0.560 335 F N 1.896 121.717 119.950 -0.216 0.000 2.427 335 F HA 0.643 5.170 4.527 -0.000 0.000 0.346 335 F C 1.088 176.795 175.800 -0.155 0.000 1.120 335 F CA 0.039 57.942 58.000 -0.162 0.000 1.033 335 F CB 1.570 40.480 39.000 -0.150 0.000 1.126 335 F HN 0.851 nan 8.300 nan 0.000 0.462 336 T N 4.099 118.234 114.554 -0.699 0.000 2.845 336 T HA 0.443 4.793 4.350 -0.000 0.000 0.288 336 T C -0.389 174.038 174.700 -0.455 0.000 0.980 336 T CA -0.878 60.942 62.100 -0.467 0.000 1.071 336 T CB 1.431 70.106 68.868 -0.322 0.000 0.941 336 T HN 0.800 nan 8.240 nan 0.000 0.487 337 R N 2.322 122.711 120.500 -0.185 0.000 2.480 337 R HA 0.597 4.937 4.340 -0.000 0.000 0.306 337 R C -1.452 174.851 176.300 0.004 0.000 0.958 337 R CA -0.719 55.325 56.100 -0.092 0.000 0.861 337 R CB 1.548 31.804 30.300 -0.073 0.000 1.171 337 R HN 0.609 nan 8.270 nan 0.000 0.445 338 V N 5.359 125.293 119.914 0.034 0.000 2.539 338 V HA 0.318 4.438 4.120 -0.000 0.000 0.292 338 V C 0.256 176.409 176.094 0.099 0.000 1.045 338 V CA -0.646 61.705 62.300 0.085 0.000 0.945 338 V CB 1.526 33.437 31.823 0.147 0.000 0.993 338 V HN 0.788 nan 8.190 nan 0.000 0.464 339 M N 3.886 123.563 119.600 0.128 0.000 2.314 339 M HA 0.526 5.006 4.480 -0.000 0.000 0.342 339 M C -0.196 176.136 176.300 0.053 0.000 1.171 339 M CA 0.548 55.919 55.300 0.118 0.000 1.098 339 M CB 1.568 34.276 32.600 0.181 0.000 1.559 339 M HN 0.620 nan 8.290 nan 0.000 0.459 340 S N 2.465 118.161 115.700 -0.007 0.000 2.776 340 S HA 0.766 5.236 4.470 -0.000 0.000 0.284 340 S C -1.261 173.395 174.600 0.094 0.000 1.160 340 S CA -0.626 57.575 58.200 0.002 0.000 1.051 340 S CB 0.497 63.613 63.200 -0.141 0.000 1.037 340 S HN 0.846 nan 8.310 nan 0.000 0.485 341 S N 3.133 118.867 115.700 0.057 0.000 2.801 341 S HA 0.839 5.309 4.470 -0.000 0.000 0.312 341 S C -1.204 173.481 174.600 0.140 0.000 1.112 341 S CA -0.796 57.456 58.200 0.086 0.000 0.943 341 S CB 0.601 63.753 63.200 -0.079 0.000 1.269 341 S HN 0.811 nan 8.310 nan 0.000 0.558 342 Y N -1.021 119.343 120.300 0.107 0.000 2.536 342 Y HA 0.779 5.329 4.550 -0.000 0.000 0.347 342 Y C -0.535 175.363 175.900 -0.003 0.000 1.000 342 Y CA -1.483 56.573 58.100 -0.074 0.000 1.051 342 Y CB 0.754 39.035 38.460 -0.297 0.000 1.259 342 Y HN 0.447 nan 8.280 nan 0.000 0.468 343 R N 1.510 122.097 120.500 0.145 0.000 2.410 343 R HA 0.469 4.808 4.340 -0.000 0.000 0.288 343 R C -1.502 175.117 176.300 0.530 0.000 1.051 343 R CA -0.356 55.871 56.100 0.212 0.000 1.021 343 R CB 0.900 31.215 30.300 0.026 0.000 1.032 343 R HN 0.942 nan 8.270 nan 0.000 0.481 344 W N 1.846 123.400 121.300 0.425 0.000 3.033 344 W HA 0.478 5.138 4.660 -0.001 0.000 0.336 344 W C -2.595 174.086 176.519 0.271 0.000 1.173 344 W CA -2.660 54.857 57.345 0.287 0.000 1.185 344 W CB 0.472 30.093 29.460 0.269 0.000 1.425 344 W HN 0.323 nan 8.180 nan 0.000 0.536 345 P HA 0.105 nan 4.420 nan 0.000 0.263 345 P C -0.255 176.979 177.300 -0.109 0.000 1.601 345 P CA 0.095 63.200 63.100 0.010 0.000 1.161 345 P CB 0.300 32.030 31.700 0.049 0.000 1.730 346 R N 2.456 122.686 120.500 -0.451 0.000 2.522 346 R HA 0.081 4.420 4.340 -0.000 0.000 0.284 346 R C 0.518 176.603 176.300 -0.357 0.000 1.032 346 R CA 0.449 56.230 56.100 -0.531 0.000 1.049 346 R CB 0.404 30.128 30.300 -0.960 0.000 0.956 346 R HN 0.517 nan 8.270 nan 0.000 0.422 347 Q N 3.814 123.405 119.800 -0.348 0.000 2.695 347 Q HA 0.209 4.549 4.340 -0.000 0.000 0.246 347 Q C -1.454 174.408 176.000 -0.230 0.000 0.961 347 Q CA -0.406 55.286 55.803 -0.185 0.000 0.708 347 Q CB 0.649 29.356 28.738 -0.052 0.000 1.282 347 Q HN 0.393 nan 8.270 nan 0.000 0.482 348 F N 1.983 121.912 119.950 -0.036 0.000 2.456 348 F HA 0.270 4.797 4.527 -0.001 0.000 0.358 348 F C 0.483 176.284 175.800 0.001 0.000 1.095 348 F CA 0.318 58.306 58.000 -0.019 0.000 1.216 348 F CB 1.005 39.973 39.000 -0.053 0.000 1.125 348 F HN 0.367 nan 8.300 nan 0.000 0.549 349 Q N 2.905 122.817 119.800 0.186 0.000 2.275 349 Q HA 0.253 4.593 4.340 -0.000 0.000 0.266 349 Q C -0.607 175.463 176.000 0.116 0.000 1.002 349 Q CA -0.898 54.978 55.803 0.121 0.000 0.761 349 Q CB 1.671 30.461 28.738 0.085 0.000 1.255 349 Q HN 0.616 nan 8.270 nan 0.000 0.446 350 N N 1.375 120.129 118.700 0.090 0.000 2.735 350 N HA -0.222 4.518 4.740 -0.000 0.000 0.248 350 N C 0.516 176.074 175.510 0.081 0.000 1.083 350 N CA 1.516 54.605 53.050 0.066 0.000 0.703 350 N CB -1.086 37.432 38.487 0.052 0.000 1.005 350 N HN 1.159 nan 8.380 nan 0.000 0.550 351 G N -1.466 107.403 108.800 0.115 0.000 2.148 351 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.254 351 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.254 351 G C -0.158 174.899 174.900 0.262 0.000 0.981 351 G CA 0.476 45.651 45.100 0.126 0.000 0.670 351 G HN 0.608 nan 8.290 nan 0.000 0.528 352 N N 0.143 119.017 118.700 0.290 0.000 2.295 352 N HA 0.477 5.217 4.740 -0.000 0.000 0.293 352 N C -1.464 174.095 175.510 0.082 0.000 1.040 352 N CA -0.728 52.456 53.050 0.223 0.000 0.840 352 N CB 1.689 40.242 38.487 0.111 0.000 1.468 352 N HN 0.128 nan 8.380 nan 0.000 0.478 353 D N 1.473 121.788 120.400 -0.141 0.000 2.344 353 D HA 0.012 4.652 4.640 -0.000 0.000 0.253 353 D C 1.167 177.423 176.300 -0.073 0.000 1.255 353 D CA -0.428 53.318 54.000 -0.424 0.000 0.894 353 D CB 0.749 41.231 40.800 -0.529 0.000 1.067 353 D HN 0.403 nan 8.370 nan 0.000 0.492 354 V N 1.802 121.710 119.914 -0.010 0.000 3.305 354 V HA 0.026 4.146 4.120 -0.000 0.000 0.269 354 V C 0.754 177.005 176.094 0.261 0.000 1.157 354 V CA 0.775 63.164 62.300 0.148 0.000 1.157 354 V CB -0.460 31.453 31.823 0.150 0.000 0.772 354 V HN 0.373 nan 8.190 nan 0.000 0.498 355 N N 1.719 120.479 118.700 0.100 0.000 2.321 355 N HA 0.083 4.822 4.740 -0.000 0.000 0.242 355 N C 0.735 176.126 175.510 -0.198 0.000 1.141 355 N CA 0.735 53.718 53.050 -0.113 0.000 0.864 355 N CB 0.333 38.795 38.487 -0.042 0.000 1.100 355 N HN 0.799 nan 8.380 nan 0.000 0.510 356 D N -0.506 119.932 120.400 0.063 0.000 2.378 356 D HA -0.134 4.506 4.640 -0.000 0.000 0.227 356 D C 1.558 178.093 176.300 0.392 0.000 1.012 356 D CA 0.207 54.273 54.000 0.109 0.000 0.905 356 D CB -0.437 40.498 40.800 0.224 0.000 0.895 356 D HN 0.491 nan 8.370 nan 0.000 0.532 357 W N 0.556 122.114 121.300 0.431 0.000 2.812 357 W HA 0.277 4.936 4.660 -0.000 0.000 0.263 357 W C -0.250 176.425 176.519 0.260 0.000 1.284 357 W CA -0.584 57.028 57.345 0.444 0.000 1.430 357 W CB -0.684 29.004 29.460 0.379 0.000 1.088 357 W HN -0.299 nan 8.180 nan 0.000 0.623 358 V N 3.615 123.137 119.914 -0.653 0.000 2.678 358 V HA 0.070 4.190 4.120 -0.000 0.000 0.304 358 V C 1.461 177.597 176.094 0.070 0.000 1.086 358 V CA 1.075 63.053 62.300 -0.537 0.000 1.246 358 V CB -0.625 30.899 31.823 -0.498 0.000 0.861 358 V HN 0.187 nan 8.190 nan 0.000 0.491 359 G N 6.765 115.602 108.800 0.062 0.000 2.553 359 G HA2 0.456 4.416 3.960 -0.000 0.000 0.278 359 G HA3 0.456 4.416 3.960 -0.000 0.000 0.278 359 G C -2.254 172.404 174.900 -0.404 0.000 1.349 359 G CA -0.982 44.124 45.100 0.010 0.000 1.037 359 G HN 0.661 nan 8.290 nan 0.000 0.508 360 P HA 0.182 nan 4.420 nan 0.000 0.270 360 P C -2.666 174.141 177.300 -0.823 0.000 1.223 360 P CA -0.980 61.326 63.100 -1.323 0.000 0.785 360 P CB 0.022 31.278 31.700 -0.740 0.000 0.923 361 P HA 0.022 nan 4.420 nan 0.000 0.261 361 P C -0.302 176.805 177.300 -0.322 0.000 1.173 361 P CA 0.836 63.584 63.100 -0.587 0.000 0.760 361 P CB -0.164 31.042 31.700 -0.823 0.000 0.783 362 N N 0.835 119.435 118.700 -0.167 0.000 2.927 362 N HA 0.368 5.108 4.740 -0.000 0.000 0.248 362 N C -1.644 173.863 175.510 -0.006 0.000 1.443 362 N CA -1.044 51.969 53.050 -0.063 0.000 0.870 362 N CB 1.059 39.530 38.487 -0.026 0.000 1.444 362 N HN 0.061 nan 8.380 nan 0.000 0.519 363 N N 0.025 118.739 118.700 0.023 0.000 2.569 363 N HA 0.367 5.107 4.740 -0.000 0.000 0.254 363 N C -1.358 174.196 175.510 0.074 0.000 1.004 363 N CA -0.659 52.410 53.050 0.032 0.000 0.904 363 N CB 0.781 39.276 38.487 0.015 0.000 1.165 363 N HN 0.671 nan 8.380 nan 0.000 0.513 364 N N 1.769 120.532 118.700 0.105 0.000 2.758 364 N HA -0.192 4.548 4.740 -0.000 0.000 0.248 364 N C 0.957 176.672 175.510 0.342 0.000 1.076 364 N CA 1.471 54.624 53.050 0.171 0.000 0.696 364 N CB -1.230 37.317 38.487 0.098 0.000 0.979 364 N HN 0.960 nan 8.380 nan 0.000 0.550 365 G N -3.282 105.759 108.800 0.401 0.000 2.241 365 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.244 365 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.244 365 G C 0.032 174.951 174.900 0.031 0.000 0.998 365 G CA 0.084 45.293 45.100 0.183 0.000 0.621 365 G HN 0.612 nan 8.290 nan 0.000 0.519 366 V N 3.243 123.189 119.914 0.053 0.000 2.389 366 V HA 0.382 4.502 4.120 -0.000 0.000 0.264 366 V C 1.322 177.406 176.094 -0.017 0.000 1.049 366 V CA -0.514 61.788 62.300 0.005 0.000 0.932 366 V CB 0.969 32.802 31.823 0.017 0.000 1.011 366 V HN 0.360 nan 8.190 nan 0.000 0.475 367 I N 5.291 125.833 120.570 -0.046 0.000 2.775 367 I HA -0.001 4.169 4.170 -0.000 0.000 0.290 367 I C 0.935 177.058 176.117 0.009 0.000 1.203 367 I CA 0.365 61.644 61.300 -0.036 0.000 1.433 367 I CB 0.168 38.145 38.000 -0.038 0.000 1.354 367 I HN 0.579 nan 8.210 nan 0.000 0.579 368 K N 6.043 126.471 120.400 0.048 0.000 2.202 368 K HA 0.122 4.442 4.320 -0.000 0.000 0.264 368 K C 0.133 176.823 176.600 0.149 0.000 1.010 368 K CA -0.646 55.690 56.287 0.082 0.000 0.940 368 K CB 0.573 33.105 32.500 0.053 0.000 0.983 368 K HN 0.485 nan 8.250 nan 0.000 0.475 369 E N 1.316 121.537 120.200 0.034 0.000 2.390 369 E HA 0.050 4.400 4.350 -0.000 0.000 0.261 369 E C -0.407 176.104 176.600 -0.148 0.000 1.076 369 E CA -0.445 55.898 56.400 -0.097 0.000 0.905 369 E CB 0.539 30.188 29.700 -0.085 0.000 0.984 369 E HN 0.088 nan 8.360 nan 0.000 0.427 370 V N 2.913 122.511 119.914 -0.528 0.000 2.427 370 V HA 0.131 4.251 4.120 -0.000 0.000 0.268 370 V C 0.511 176.428 176.094 -0.295 0.000 1.046 370 V CA -0.200 61.675 62.300 -0.709 0.000 0.970 370 V CB 0.427 31.418 31.823 -1.387 0.000 1.001 370 V HN 0.804 nan 8.190 nan 0.000 0.476 371 T N 4.151 118.638 114.554 -0.111 0.000 2.867 371 T HA 0.663 5.013 4.350 -0.000 0.000 0.282 371 T C -0.486 174.191 174.700 -0.039 0.000 1.000 371 T CA -0.769 61.299 62.100 -0.054 0.000 1.042 371 T CB 1.514 70.378 68.868 -0.006 0.000 0.973 371 T HN 0.225 nan 8.240 nan 0.000 0.465 372 I N 3.407 123.959 120.570 -0.030 0.000 2.321 372 I HA 0.329 4.499 4.170 -0.000 0.000 0.291 372 I C 0.303 176.421 176.117 0.001 0.000 0.998 372 I CA -0.928 60.362 61.300 -0.016 0.000 1.227 372 I CB 0.962 38.955 38.000 -0.012 0.000 1.368 372 I HN 0.689 nan 8.210 nan 0.000 0.466 373 N N 8.695 127.400 118.700 0.008 0.000 2.424 373 N HA 0.233 4.973 4.740 -0.000 0.000 0.257 373 N C -1.400 174.120 175.510 0.017 0.000 1.250 373 N CA -1.253 51.805 53.050 0.014 0.000 0.946 373 N CB 0.617 39.114 38.487 0.017 0.000 1.175 373 N HN 0.360 nan 8.380 nan 0.000 0.477 374 P HA -0.149 nan 4.420 nan 0.000 0.220 374 P C 0.070 177.386 177.300 0.026 0.000 1.144 374 P CA 1.392 64.505 63.100 0.021 0.000 0.800 374 P CB 0.204 31.914 31.700 0.017 0.000 0.772 375 D N -1.284 119.131 120.400 0.025 0.000 2.427 375 D HA -0.001 4.639 4.640 -0.000 0.000 0.224 375 D C 0.583 176.908 176.300 0.040 0.000 1.157 375 D CA 0.801 54.819 54.000 0.030 0.000 0.828 375 D CB -0.654 40.158 40.800 0.020 0.000 0.974 375 D HN 0.234 nan 8.370 nan 0.000 0.498 376 T N -3.092 111.485 114.554 0.038 0.000 6.974 376 T HA -0.273 4.077 4.350 -0.000 0.000 0.287 376 T C 0.645 175.342 174.700 -0.005 0.000 2.146 376 T CA 1.645 63.763 62.100 0.031 0.000 3.451 376 T CB -2.941 65.977 68.868 0.083 0.000 1.630 376 T HN 0.502 nan 8.240 nan 0.000 1.173 377 T N -0.888 113.677 114.554 0.018 0.000 2.788 377 T HA 0.647 4.997 4.350 -0.000 0.000 0.280 377 T C 0.847 175.562 174.700 0.024 0.000 0.984 377 T CA -0.293 61.827 62.100 0.034 0.000 0.972 377 T CB 1.271 70.168 68.868 0.047 0.000 1.039 377 T HN 0.623 nan 8.240 nan 0.000 0.530 378 c N 0.404 119.038 118.600 0.057 0.000 2.399 378 c HA 0.908 5.478 4.570 -0.000 0.000 0.348 378 c C 1.282 175.423 174.090 0.084 0.000 1.183 378 c CA -0.373 55.994 56.329 0.064 0.000 2.023 378 c CB 0.857 43.432 42.510 0.107 0.000 2.361 378 c HN 1.206 nan 8.230 nan 0.000 0.521 379 G N 0.164 109.015 108.800 0.086 0.000 3.075 379 G HA2 0.489 4.449 3.960 -0.000 0.000 0.253 379 G HA3 0.489 4.449 3.960 -0.000 0.000 0.253 379 G C -0.113 174.861 174.900 0.124 0.000 1.353 379 G CA -0.218 44.927 45.100 0.076 0.000 1.051 379 G HN 0.740 nan 8.290 nan 0.000 0.553 380 N N 0.194 118.925 118.700 0.051 0.000 2.741 380 N HA -0.154 4.586 4.740 -0.000 0.000 0.251 380 N C -0.029 175.362 175.510 -0.198 0.000 1.112 380 N CA 1.377 54.422 53.050 -0.009 0.000 0.750 380 N CB -0.569 37.979 38.487 0.100 0.000 1.119 380 N HN 0.698 nan 8.380 nan 0.000 0.561 381 D N -3.958 116.362 120.400 -0.133 0.000 3.070 381 D HA -0.219 4.421 4.640 -0.000 0.000 0.210 381 D C -0.443 175.713 176.300 -0.241 0.000 1.103 381 D CA 1.035 54.919 54.000 -0.193 0.000 0.980 381 D CB -1.496 39.162 40.800 -0.237 0.000 1.100 381 D HN 0.513 nan 8.370 nan 0.000 0.423 382 W N 0.490 121.767 121.300 -0.039 0.000 2.322 382 W HA 0.372 5.033 4.660 0.000 0.000 0.307 382 W C 1.732 178.238 176.519 -0.022 0.000 1.220 382 W CA -0.891 56.447 57.345 -0.012 0.000 1.210 382 W CB 0.776 30.179 29.460 -0.095 0.000 1.223 382 W HN -0.277 nan 8.180 nan 0.000 0.511 383 V N 2.271 122.250 119.914 0.108 0.000 2.453 383 V HA -0.238 3.882 4.120 -0.000 0.000 0.247 383 V C 1.234 177.391 176.094 0.106 0.000 1.048 383 V CA 0.514 62.784 62.300 -0.050 0.000 1.049 383 V CB -0.940 30.544 31.823 -0.565 0.000 0.672 383 V HN 0.874 nan 8.190 nan 0.000 0.457 384 c N 1.225 119.926 118.600 0.168 0.000 4.056 384 c HA -0.161 4.409 4.570 -0.000 0.000 0.302 384 c C 1.675 175.652 174.090 -0.188 0.000 1.356 384 c CA 0.527 56.932 56.329 0.126 0.000 2.074 384 c CB -2.559 39.995 42.510 0.073 0.000 1.328 384 c HN 0.682 nan 8.230 nan 0.000 0.684 385 E N 0.425 120.380 120.200 -0.408 0.000 2.160 385 E HA -0.189 4.161 4.350 -0.000 0.000 0.195 385 E C 1.956 178.264 176.600 -0.487 0.000 0.991 385 E CA 1.651 57.402 56.400 -1.082 0.000 0.810 385 E CB -0.168 29.068 29.700 -0.773 0.000 0.742 385 E HN 0.974 nan 8.360 nan 0.000 0.466 386 H N -0.139 118.803 119.070 -0.213 0.000 2.545 386 H HA 0.092 4.647 4.556 -0.000 0.000 0.282 386 H C 1.332 176.738 175.328 0.131 0.000 1.020 386 H CA 0.915 56.969 56.048 0.009 0.000 1.243 386 H CB -0.008 29.687 29.762 -0.113 0.000 1.377 386 H HN 0.082 nan 8.280 nan 0.000 0.581 387 R N -0.667 119.587 120.500 -0.411 0.000 2.312 387 R HA 0.058 4.397 4.340 -0.000 0.000 0.205 387 R C -0.191 176.247 176.300 0.230 0.000 0.904 387 R CA -0.423 55.542 56.100 -0.225 0.000 1.052 387 R CB 0.265 30.259 30.300 -0.509 0.000 1.014 387 R HN 0.102 nan 8.270 nan 0.000 0.503 388 W N 2.052 123.381 121.300 0.047 0.000 2.322 388 W HA 0.088 4.748 4.660 -0.000 0.000 0.328 388 W C 1.553 178.149 176.519 0.127 0.000 1.395 388 W CA -0.878 56.522 57.345 0.091 0.000 1.267 388 W CB -0.035 29.500 29.460 0.125 0.000 1.259 388 W HN 0.105 nan 8.180 nan 0.000 0.560 389 R N 2.009 122.691 120.500 0.303 0.000 2.119 389 R HA -0.284 4.056 4.340 -0.000 0.000 0.246 389 R C 1.955 178.381 176.300 0.209 0.000 1.146 389 R CA 2.360 58.589 56.100 0.215 0.000 0.962 389 R CB -0.051 30.323 30.300 0.125 0.000 0.863 389 R HN 0.575 nan 8.270 nan 0.000 0.442 390 Q N -0.058 119.878 119.800 0.227 0.000 2.124 390 Q HA -0.173 4.167 4.340 -0.000 0.000 0.202 390 Q C 2.252 178.404 176.000 0.253 0.000 0.977 390 Q CA 1.539 57.467 55.803 0.208 0.000 0.850 390 Q CB -0.216 28.683 28.738 0.268 0.000 0.901 390 Q HN 0.513 nan 8.270 nan 0.000 0.429 391 I N 0.478 121.233 120.570 0.309 0.000 2.429 391 I HA -0.111 4.059 4.170 -0.000 0.000 0.247 391 I C 2.793 179.044 176.117 0.223 0.000 1.099 391 I CA 0.349 61.794 61.300 0.241 0.000 1.422 391 I CB -0.307 37.822 38.000 0.216 0.000 1.112 391 I HN 0.109 nan 8.210 nan 0.000 0.430 392 R N 1.634 122.311 120.500 0.295 0.000 2.091 392 R HA -0.194 4.146 4.340 -0.000 0.000 0.238 392 R C 1.715 178.110 176.300 0.158 0.000 1.136 392 R CA 1.839 58.127 56.100 0.313 0.000 0.959 392 R CB -0.415 30.138 30.300 0.421 0.000 0.856 392 R HN 0.329 nan 8.270 nan 0.000 0.437 393 N N 0.069 118.867 118.700 0.163 0.000 2.309 393 N HA -0.085 4.655 4.740 -0.000 0.000 0.182 393 N C 1.534 177.133 175.510 0.149 0.000 1.018 393 N CA 0.953 54.091 53.050 0.147 0.000 0.876 393 N CB -0.073 38.504 38.487 0.149 0.000 0.972 393 N HN 0.222 nan 8.380 nan 0.000 0.434 394 M N -0.190 119.479 119.600 0.114 0.000 2.447 394 M HA 0.064 4.543 4.480 -0.000 0.000 0.264 394 M C 1.830 178.157 176.300 0.045 0.000 1.095 394 M CA 0.341 55.688 55.300 0.079 0.000 1.125 394 M CB -0.529 32.093 32.600 0.035 0.000 1.389 394 M HN -0.121 nan 8.290 nan 0.000 0.459 395 V N 0.618 120.509 119.914 -0.038 0.000 2.358 395 V HA -0.246 3.874 4.120 -0.000 0.000 0.246 395 V C 2.323 178.307 176.094 -0.182 0.000 1.047 395 V CA 1.513 63.693 62.300 -0.201 0.000 1.035 395 V CB -0.452 31.058 31.823 -0.523 0.000 0.658 395 V HN 0.340 nan 8.190 nan 0.000 0.452 396 I N -0.888 119.604 120.570 -0.130 0.000 2.252 396 I HA -0.238 3.932 4.170 -0.000 0.000 0.245 396 I C 2.325 178.347 176.117 -0.158 0.000 1.102 396 I CA 1.666 62.886 61.300 -0.133 0.000 1.385 396 I CB -0.455 37.505 38.000 -0.068 0.000 1.064 396 I HN 0.327 nan 8.210 nan 0.000 0.414 397 F N 1.993 121.791 119.950 -0.253 0.000 2.120 397 F HA -0.270 4.257 4.527 -0.000 0.000 0.300 397 F C 2.689 178.367 175.800 -0.204 0.000 1.095 397 F CA 1.776 59.591 58.000 -0.307 0.000 1.249 397 F CB -0.383 38.577 39.000 -0.066 0.000 0.995 397 F HN -0.145 nan 8.300 nan 0.000 0.480 398 R N 0.200 120.830 120.500 0.217 0.000 2.081 398 R HA -0.180 4.160 4.340 -0.000 0.000 0.235 398 R C 2.066 178.342 176.300 -0.041 0.000 1.131 398 R CA 1.694 57.867 56.100 0.121 0.000 0.960 398 R CB -0.346 29.976 30.300 0.036 0.000 0.856 398 R HN 0.294 nan 8.270 nan 0.000 0.436 399 N N 0.014 118.652 118.700 -0.104 0.000 2.084 399 N HA -0.146 4.594 4.740 -0.000 0.000 0.190 399 N C 1.775 177.200 175.510 -0.142 0.000 1.030 399 N CA 1.376 54.355 53.050 -0.118 0.000 0.849 399 N CB -0.427 37.981 38.487 -0.132 0.000 1.012 399 N HN 0.045 nan 8.380 nan 0.000 0.423 400 V N 1.060 120.834 119.914 -0.232 0.000 2.343 400 V HA -0.138 3.982 4.120 -0.000 0.000 0.247 400 V C 2.143 178.100 176.094 -0.229 0.000 1.051 400 V CA 1.571 63.712 62.300 -0.264 0.000 1.036 400 V CB -0.542 31.002 31.823 -0.465 0.000 0.654 400 V HN 0.313 nan 8.190 nan 0.000 0.451 401 V N -1.920 117.833 119.914 -0.270 0.000 3.649 401 V HA 0.210 4.329 4.120 -0.000 0.000 0.275 401 V C 0.685 176.742 176.094 -0.061 0.000 1.281 401 V CA -0.133 62.058 62.300 -0.181 0.000 1.143 401 V CB -0.559 31.122 31.823 -0.236 0.000 0.892 401 V HN 0.475 nan 8.190 nan 0.000 0.441 402 D N 1.568 121.936 120.400 -0.054 0.000 2.583 402 D HA 0.338 4.978 4.640 -0.000 0.000 0.232 402 D C 1.526 177.822 176.300 -0.007 0.000 1.128 402 D CA 2.162 56.151 54.000 -0.019 0.000 0.859 402 D CB 0.393 41.178 40.800 -0.025 0.000 1.169 402 D HN 0.612 nan 8.370 nan 0.000 0.481 403 G N 2.595 111.401 108.800 0.010 0.000 2.253 403 G HA2 -0.337 3.622 3.960 -0.000 0.000 0.251 403 G HA3 -0.337 3.622 3.960 -0.000 0.000 0.251 403 G C 0.474 175.389 174.900 0.024 0.000 0.998 403 G CA 0.464 45.572 45.100 0.013 0.000 0.621 403 G HN 0.674 nan 8.290 nan 0.000 0.524 404 Q N 2.249 122.066 119.800 0.028 0.000 2.314 404 Q HA 0.496 4.835 4.340 -0.000 0.000 0.258 404 Q C -1.739 174.306 176.000 0.075 0.000 0.954 404 Q CA -1.521 54.309 55.803 0.043 0.000 0.890 404 Q CB 1.083 29.840 28.738 0.032 0.000 1.210 404 Q HN 0.387 nan 8.270 nan 0.000 0.410 405 P HA -0.029 nan 4.420 nan 0.000 0.272 405 P C -0.910 176.489 177.300 0.166 0.000 1.223 405 P CA -0.217 62.951 63.100 0.114 0.000 0.784 405 P CB 0.437 32.193 31.700 0.094 0.000 0.923 406 F N 2.170 122.127 119.950 0.011 0.000 2.472 406 F HA 0.400 4.927 4.527 -0.000 0.000 0.364 406 F C 0.483 176.336 175.800 0.089 0.000 1.090 406 F CA 1.123 59.125 58.000 0.003 0.000 1.188 406 F CB 0.406 39.310 39.000 -0.160 0.000 1.105 406 F HN 0.346 nan 8.300 nan 0.000 0.536 407 T N 4.212 118.598 114.554 -0.280 0.000 2.711 407 T HA 0.231 4.581 4.350 -0.000 0.000 0.302 407 T C -0.827 173.845 174.700 -0.046 0.000 1.373 407 T CA -0.746 61.287 62.100 -0.112 0.000 1.000 407 T CB 0.831 69.725 68.868 0.043 0.000 1.483 407 T HN 0.600 nan 8.240 nan 0.000 0.499 408 N N 1.106 119.865 118.700 0.098 0.000 2.725 408 N HA -0.132 4.607 4.740 -0.000 0.000 0.251 408 N C -0.605 175.071 175.510 0.278 0.000 1.031 408 N CA 0.756 53.934 53.050 0.212 0.000 0.720 408 N CB -0.790 37.864 38.487 0.279 0.000 0.930 408 N HN 0.590 nan 8.380 nan 0.000 0.543 409 W N 1.094 122.425 121.300 0.053 0.000 2.218 409 W HA 0.358 5.018 4.660 -0.000 0.000 0.326 409 W C -0.542 176.120 176.519 0.238 0.000 1.276 409 W CA -0.196 57.219 57.345 0.116 0.000 1.210 409 W CB 0.364 29.875 29.460 0.084 0.000 1.143 409 W HN 0.218 nan 8.180 nan 0.000 0.563 410 Y N 5.186 125.069 120.300 -0.695 0.000 2.504 410 Y HA 0.393 4.943 4.550 -0.000 0.000 0.344 410 Y C -1.629 173.827 175.900 -0.739 0.000 1.023 410 Y CA -0.926 56.905 58.100 -0.449 0.000 1.020 410 Y CB 1.384 39.764 38.460 -0.133 0.000 1.282 410 Y HN 0.527 nan 8.280 nan 0.000 0.454 411 D N 2.025 121.529 120.400 -1.493 0.000 2.655 411 D HA 0.201 4.840 4.640 -0.000 0.000 0.229 411 D C -1.156 174.615 176.300 -0.882 0.000 1.229 411 D CA -0.801 52.597 54.000 -1.003 0.000 0.807 411 D CB 0.992 41.640 40.800 -0.253 0.000 1.514 411 D HN 0.445 nan 8.370 nan 0.000 0.444 412 N N 1.081 119.537 118.700 -0.406 0.000 2.276 412 N HA 0.198 4.938 4.740 -0.000 0.000 0.212 412 N C 1.320 176.850 175.510 0.033 0.000 1.127 412 N CA 0.207 53.228 53.050 -0.049 0.000 0.834 412 N CB 0.278 38.897 38.487 0.219 0.000 1.014 412 N HN 1.043 nan 8.380 nan 0.000 0.491 413 G N -1.350 107.441 108.800 -0.015 0.000 2.184 413 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.264 413 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.264 413 G C 0.365 175.268 174.900 0.005 0.000 0.975 413 G CA 0.756 45.874 45.100 0.031 0.000 0.642 413 G HN 0.649 nan 8.290 nan 0.000 0.536 414 S N -0.873 114.822 115.700 -0.008 0.000 3.697 414 S HA 0.430 4.900 4.470 -0.000 0.000 0.184 414 S C 0.903 175.415 174.600 -0.146 0.000 1.045 414 S CA 0.747 58.926 58.200 -0.036 0.000 1.330 414 S CB 0.150 63.423 63.200 0.123 0.000 1.393 414 S HN 0.301 nan 8.310 nan 0.000 0.855 415 N N 1.117 119.704 118.700 -0.189 0.000 2.291 415 N HA 0.269 5.009 4.740 -0.000 0.000 0.244 415 N C -1.186 174.161 175.510 -0.272 0.000 1.216 415 N CA -0.231 52.668 53.050 -0.252 0.000 0.879 415 N CB 0.954 39.274 38.487 -0.279 0.000 1.167 415 N HN 0.428 nan 8.380 nan 0.000 0.515 416 Q N 0.594 120.248 119.800 -0.244 0.000 2.339 416 Q HA 0.545 4.884 4.340 -0.000 0.000 0.268 416 Q C -0.861 174.952 176.000 -0.311 0.000 1.027 416 Q CA -0.862 54.761 55.803 -0.299 0.000 0.759 416 Q CB 1.705 30.253 28.738 -0.318 0.000 1.244 416 Q HN 0.003 nan 8.270 nan 0.000 0.464 417 V N -1.004 118.714 119.914 -0.327 0.000 3.126 417 V HA 1.046 5.166 4.120 -0.000 0.000 0.314 417 V C -0.982 174.907 176.094 -0.342 0.000 1.138 417 V CA -0.470 61.559 62.300 -0.451 0.000 1.034 417 V CB 1.640 33.125 31.823 -0.563 0.000 1.075 417 V HN 1.045 nan 8.190 nan 0.000 0.442 418 A N 1.553 124.087 122.820 -0.477 0.000 2.605 418 A HA 1.005 5.325 4.320 -0.000 0.000 0.294 418 A C -1.224 176.127 177.584 -0.389 0.000 1.062 418 A CA -0.209 51.541 52.037 -0.479 0.000 0.682 418 A CB 1.681 20.410 19.000 -0.451 0.000 1.278 418 A HN 2.404 nan 8.150 nan 0.000 0.410 419 F N -1.150 118.413 119.950 -0.644 0.000 2.741 419 F HA 0.844 5.371 4.527 -0.000 0.000 0.311 419 F C -0.057 175.410 175.800 -0.556 0.000 1.149 419 F CA -0.323 57.422 58.000 -0.424 0.000 0.930 419 F CB 0.747 39.638 39.000 -0.183 0.000 1.312 419 F HN 1.145 nan 8.300 nan 0.000 0.450 420 G N 0.479 109.320 108.800 0.068 0.000 2.685 420 G HA2 0.698 4.658 3.960 -0.000 0.000 0.298 420 G HA3 0.698 4.658 3.960 -0.000 0.000 0.298 420 G C -1.591 173.460 174.900 0.251 0.000 1.277 420 G CA -1.324 43.897 45.100 0.203 0.000 0.986 420 G HN 0.591 nan 8.290 nan 0.000 0.487 421 R N 0.232 120.867 120.500 0.225 0.000 2.358 421 R HA 0.498 4.838 4.340 -0.000 0.000 0.309 421 R C 0.857 177.221 176.300 0.108 0.000 1.026 421 R CA 0.060 56.271 56.100 0.185 0.000 0.909 421 R CB 0.411 30.825 30.300 0.190 0.000 1.153 421 R HN 1.275 nan 8.270 nan 0.000 0.515 422 G N 3.655 112.514 108.800 0.099 0.000 2.634 422 G HA2 -0.434 3.526 3.960 -0.000 0.000 0.309 422 G HA3 -0.434 3.526 3.960 -0.000 0.000 0.309 422 G C 0.337 175.276 174.900 0.066 0.000 1.265 422 G CA 0.726 45.868 45.100 0.070 0.000 0.998 422 G HN 0.673 nan 8.290 nan 0.000 0.551 423 N N 0.583 119.310 118.700 0.044 0.000 2.282 423 N HA 0.176 4.916 4.740 -0.000 0.000 0.240 423 N C 1.348 176.876 175.510 0.031 0.000 1.182 423 N CA 0.036 53.109 53.050 0.038 0.000 0.874 423 N CB 0.455 38.963 38.487 0.035 0.000 1.126 423 N HN 0.550 nan 8.380 nan 0.000 0.516 424 R N -0.462 120.046 120.500 0.013 0.000 2.307 424 R HA 0.345 4.685 4.340 -0.000 0.000 0.200 424 R C 0.470 176.723 176.300 -0.078 0.000 0.893 424 R CA 0.442 56.528 56.100 -0.023 0.000 1.042 424 R CB 1.056 31.320 30.300 -0.060 0.000 1.059 424 R HN 0.285 nan 8.270 nan 0.000 0.530 425 G N 0.359 109.128 108.800 -0.052 0.000 2.673 425 G HA2 0.527 4.487 3.960 -0.000 0.000 0.292 425 G HA3 0.527 4.487 3.960 -0.000 0.000 0.292 425 G C -2.042 172.984 174.900 0.210 0.000 1.450 425 G CA -0.422 44.639 45.100 -0.064 0.000 0.837 425 G HN -0.002 nan 8.290 nan 0.000 0.505 426 F N 0.414 120.419 119.950 0.092 0.000 2.615 426 F HA 0.786 5.313 4.527 -0.000 0.000 0.312 426 F C -1.161 174.568 175.800 -0.118 0.000 1.119 426 F CA -0.949 57.029 58.000 -0.036 0.000 0.979 426 F CB 2.043 40.980 39.000 -0.104 0.000 1.266 426 F HN 0.515 nan 8.300 nan 0.000 0.444 427 I N 5.579 125.546 120.570 -1.004 0.000 2.686 427 I HA 0.733 4.903 4.170 -0.000 0.000 0.295 427 I C -1.805 173.606 176.117 -1.177 0.000 1.114 427 I CA -0.757 59.975 61.300 -0.946 0.000 1.038 427 I CB 1.965 39.389 38.000 -0.961 0.000 1.238 427 I HN 0.368 nan 8.210 nan 0.000 0.420 428 V N 6.881 126.214 119.914 -0.968 0.000 2.656 428 V HA 0.541 4.661 4.120 -0.000 0.000 0.307 428 V C -1.020 174.636 176.094 -0.730 0.000 1.051 428 V CA -0.521 61.297 62.300 -0.803 0.000 0.893 428 V CB 1.780 33.155 31.823 -0.746 0.000 0.999 428 V HN 0.471 nan 8.190 nan 0.000 0.426 429 F N 2.388 122.098 119.950 -0.399 0.000 2.532 429 F HA 0.598 5.125 4.527 -0.000 0.000 0.321 429 F C 0.118 175.685 175.800 -0.389 0.000 1.089 429 F CA -0.668 57.162 58.000 -0.283 0.000 0.926 429 F CB 1.989 40.831 39.000 -0.263 0.000 1.168 429 F HN 0.480 nan 8.300 nan 0.000 0.459 430 N N 1.718 120.365 118.700 -0.088 0.000 2.573 430 N HA 0.210 4.950 4.740 -0.000 0.000 0.262 430 N C -0.989 174.434 175.510 -0.145 0.000 1.029 430 N CA -0.283 52.657 53.050 -0.184 0.000 0.882 430 N CB 0.598 39.017 38.487 -0.114 0.000 1.204 430 N HN 0.562 nan 8.380 nan 0.000 0.519 431 N N 1.965 120.534 118.700 -0.218 0.000 2.282 431 N HA 0.191 4.931 4.740 -0.000 0.000 0.240 431 N C -1.077 174.254 175.510 -0.298 0.000 1.182 431 N CA -0.193 52.727 53.050 -0.215 0.000 0.874 431 N CB 0.354 38.708 38.487 -0.223 0.000 1.126 431 N HN 0.505 nan 8.380 nan 0.000 0.516 432 D N -0.640 119.486 120.400 -0.458 0.000 2.437 432 D HA 0.161 4.801 4.640 -0.000 0.000 0.259 432 D C -0.105 175.870 176.300 -0.542 0.000 1.118 432 D CA -0.160 53.389 54.000 -0.752 0.000 1.017 432 D CB 0.921 40.741 40.800 -1.632 0.000 1.120 432 D HN 0.079 nan 8.370 nan 0.000 0.541 433 D N 0.448 120.608 120.400 -0.399 0.000 2.352 433 D HA 0.126 4.766 4.640 -0.000 0.000 0.236 433 D C -0.153 176.275 176.300 0.213 0.000 1.148 433 D CA -0.002 53.995 54.000 -0.004 0.000 0.844 433 D CB 0.001 40.889 40.800 0.148 0.000 0.933 433 D HN 0.306 nan 8.370 nan 0.000 0.507 434 W N -1.052 120.284 121.300 0.059 0.000 3.118 434 W HA 0.530 5.190 4.660 -0.000 0.000 0.328 434 W C -0.404 176.174 176.519 0.098 0.000 1.239 434 W CA -1.036 56.350 57.345 0.069 0.000 1.176 434 W CB 0.076 29.575 29.460 0.065 0.000 1.433 434 W HN -0.424 nan 8.180 nan 0.000 0.562 435 S N 1.420 117.319 115.700 0.331 0.000 2.576 435 S HA 0.316 4.786 4.470 -0.000 0.000 0.272 435 S C -1.097 173.701 174.600 0.330 0.000 1.352 435 S CA -0.126 58.221 58.200 0.244 0.000 1.021 435 S CB 0.212 63.526 63.200 0.190 0.000 0.887 435 S HN 0.415 nan 8.310 nan 0.000 0.542 436 F N 1.884 121.892 119.950 0.097 0.000 2.493 436 F HA 0.567 5.094 4.527 -0.000 0.000 0.329 436 F C -0.164 175.679 175.800 0.072 0.000 1.126 436 F CA -0.446 57.611 58.000 0.094 0.000 0.937 436 F CB 1.472 40.491 39.000 0.032 0.000 1.146 436 F HN 0.410 nan 8.300 nan 0.000 0.442 437 S N 7.923 123.246 115.700 -0.629 0.000 2.673 437 S HA 0.734 5.204 4.470 -0.000 0.000 0.256 437 S C -2.118 172.113 174.600 -0.615 0.000 1.141 437 S CA -0.432 57.472 58.200 -0.493 0.000 1.109 437 S CB 0.463 63.617 63.200 -0.077 0.000 1.101 437 S HN 0.848 nan 8.310 nan 0.000 0.471 438 L N 3.332 124.016 121.223 -0.898 0.000 2.671 438 L HA 0.687 5.027 4.340 -0.000 0.000 0.259 438 L C -0.868 175.800 176.870 -0.337 0.000 1.021 438 L CA -0.028 54.503 54.840 -0.515 0.000 0.871 438 L CB 2.109 43.814 42.059 -0.589 0.000 1.472 438 L HN 0.516 nan 8.230 nan 0.000 0.410 439 T N 3.328 117.859 114.554 -0.039 0.000 2.749 439 T HA 0.710 5.060 4.350 -0.000 0.000 0.287 439 T C -0.820 173.883 174.700 0.004 0.000 0.970 439 T CA -0.147 61.987 62.100 0.058 0.000 0.980 439 T CB 0.555 69.486 68.868 0.106 0.000 0.924 439 T HN 0.265 nan 8.240 nan 0.000 0.456 440 L N 2.966 124.232 121.223 0.073 0.000 2.341 440 L HA 0.550 4.890 4.340 -0.000 0.000 0.267 440 L C 0.016 176.856 176.870 -0.049 0.000 1.009 440 L CA -0.944 53.905 54.840 0.014 0.000 0.819 440 L CB 1.835 43.940 42.059 0.076 0.000 1.323 440 L HN 0.502 nan 8.230 nan 0.000 0.425 441 Q N -0.030 119.728 119.800 -0.071 0.000 2.295 441 Q HA 0.294 4.634 4.340 -0.000 0.000 0.259 441 Q C 0.592 176.387 176.000 -0.342 0.000 0.976 441 Q CA 0.580 56.310 55.803 -0.122 0.000 0.923 441 Q CB 1.122 29.844 28.738 -0.026 0.000 1.185 441 Q HN 0.750 nan 8.270 nan 0.000 0.410 442 T N 0.295 114.547 114.554 -0.503 0.000 3.014 442 T HA 0.278 4.628 4.350 -0.000 0.000 0.250 442 T C 1.285 175.788 174.700 -0.328 0.000 1.060 442 T CA 0.368 61.917 62.100 -0.919 0.000 1.040 442 T CB -0.086 68.222 68.868 -0.933 0.000 0.971 442 T HN 1.093 nan 8.240 nan 0.000 0.497 443 G N 1.474 110.178 108.800 -0.160 0.000 2.168 443 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.263 443 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.263 443 G C -0.048 174.829 174.900 -0.037 0.000 0.977 443 G CA 0.533 45.605 45.100 -0.047 0.000 0.659 443 G HN 0.646 nan 8.290 nan 0.000 0.533 444 L N 1.561 122.730 121.223 -0.090 0.000 2.379 444 L HA 0.499 4.839 4.340 -0.000 0.000 0.269 444 L C -1.349 175.537 176.870 0.027 0.000 1.084 444 L CA -2.279 52.529 54.840 -0.053 0.000 0.802 444 L CB 1.183 43.109 42.059 -0.222 0.000 1.175 444 L HN -0.050 nan 8.230 nan 0.000 0.448 445 P HA 0.117 nan 4.420 nan 0.000 0.275 445 P C -0.720 176.686 177.300 0.176 0.000 1.228 445 P CA -0.428 62.742 63.100 0.117 0.000 0.786 445 P CB 0.926 32.690 31.700 0.106 0.000 0.927 446 A N 2.007 124.891 122.820 0.107 0.000 2.586 446 A HA 0.449 4.769 4.320 -0.000 0.000 0.231 446 A C 0.892 178.545 177.584 0.114 0.000 1.055 446 A CA 1.228 53.331 52.037 0.109 0.000 0.756 446 A CB -1.096 17.936 19.000 0.053 0.000 0.988 446 A HN 0.940 nan 8.150 nan 0.000 0.509 447 G N -0.400 108.477 108.800 0.129 0.000 2.369 447 G HA2 0.443 4.403 3.960 -0.000 0.000 0.293 447 G HA3 0.443 4.403 3.960 -0.000 0.000 0.293 447 G C -0.753 174.175 174.900 0.046 0.000 1.301 447 G CA -0.176 44.926 45.100 0.004 0.000 0.913 447 G HN 1.052 nan 8.290 nan 0.000 0.540 448 T N 1.118 115.607 114.554 -0.110 0.000 2.758 448 T HA 0.631 4.981 4.350 -0.000 0.000 0.285 448 T C -1.177 173.365 174.700 -0.264 0.000 0.981 448 T CA 0.079 62.127 62.100 -0.086 0.000 0.965 448 T CB 0.591 69.456 68.868 -0.006 0.000 0.927 448 T HN 0.384 nan 8.240 nan 0.000 0.448 449 Y N 0.710 120.893 120.300 -0.196 0.000 2.409 449 Y HA 0.432 4.982 4.550 -0.000 0.000 0.339 449 Y C 0.558 176.342 175.900 -0.193 0.000 1.033 449 Y CA -1.185 56.815 58.100 -0.166 0.000 1.094 449 Y CB 0.925 39.311 38.460 -0.124 0.000 1.210 449 Y HN 0.559 nan 8.280 nan 0.000 0.456 450 c N 2.323 120.911 118.600 -0.021 0.000 2.514 450 c HA 0.168 4.737 4.570 -0.000 0.000 0.392 450 c C 0.349 174.409 174.090 -0.050 0.000 1.294 450 c CA -0.686 55.606 56.329 -0.063 0.000 1.957 450 c CB -0.415 42.052 42.510 -0.072 0.000 2.541 450 c HN 0.776 nan 8.230 nan 0.000 0.569 451 D N 1.563 121.929 120.400 -0.057 0.000 2.343 451 D HA 0.184 4.824 4.640 -0.000 0.000 0.255 451 D C 0.970 177.230 176.300 -0.066 0.000 1.187 451 D CA -0.320 53.647 54.000 -0.055 0.000 0.875 451 D CB 1.019 41.779 40.800 -0.066 0.000 1.136 451 D HN 0.421 nan 8.370 nan 0.000 0.469 452 V N 2.551 122.433 119.914 -0.052 0.000 3.573 452 V HA 0.018 4.138 4.120 -0.000 0.000 0.270 452 V C 1.488 177.549 176.094 -0.056 0.000 1.221 452 V CA 0.307 62.597 62.300 -0.017 0.000 1.163 452 V CB -0.631 31.243 31.823 0.086 0.000 0.847 452 V HN 0.524 nan 8.190 nan 0.000 0.468 453 I N 2.189 122.658 120.570 -0.169 0.000 2.429 453 I HA -0.022 4.148 4.170 -0.000 0.000 0.247 453 I C 2.731 178.738 176.117 -0.184 0.000 1.099 453 I CA 1.899 63.032 61.300 -0.279 0.000 1.422 453 I CB -1.086 36.505 38.000 -0.682 0.000 1.112 453 I HN 0.581 nan 8.210 nan 0.000 0.430 454 S N -0.209 115.396 115.700 -0.160 0.000 2.470 454 S HA 0.260 4.730 4.470 -0.000 0.000 0.225 454 S C 1.076 175.642 174.600 -0.057 0.000 1.006 454 S CA 0.441 58.581 58.200 -0.100 0.000 0.934 454 S CB 0.010 63.157 63.200 -0.089 0.000 0.778 454 S HN 0.435 nan 8.310 nan 0.000 0.517 455 G N -0.255 108.515 108.800 -0.049 0.000 2.772 455 G HA2 0.554 4.514 3.960 -0.000 0.000 0.284 455 G HA3 0.554 4.514 3.960 -0.000 0.000 0.284 455 G C -2.191 172.703 174.900 -0.009 0.000 1.217 455 G CA -0.579 44.507 45.100 -0.024 0.000 0.831 455 G HN 0.209 nan 8.290 nan 0.000 0.523 456 D N -0.540 119.858 120.400 -0.004 0.000 2.579 456 D HA 0.309 4.949 4.640 -0.000 0.000 0.257 456 D C -1.055 175.240 176.300 -0.008 0.000 1.176 456 D CA -0.564 53.440 54.000 0.007 0.000 0.914 456 D CB 2.751 43.567 40.800 0.026 0.000 1.431 456 D HN 0.339 nan 8.370 nan 0.000 0.454 457 K N 1.937 122.332 120.400 -0.008 0.000 2.266 457 K HA 0.389 4.708 4.320 -0.000 0.000 0.274 457 K C -0.949 175.647 176.600 -0.007 0.000 1.090 457 K CA -0.308 55.966 56.287 -0.021 0.000 0.925 457 K CB 0.069 32.550 32.500 -0.033 0.000 1.225 457 K HN 0.381 nan 8.250 nan 0.000 0.458 458 I N 5.390 125.955 120.570 -0.008 0.000 2.354 458 I HA 0.064 4.234 4.170 -0.000 0.000 0.286 458 I C 0.062 176.176 176.117 -0.006 0.000 1.007 458 I CA -0.781 60.519 61.300 -0.001 0.000 1.167 458 I CB 1.112 39.115 38.000 0.005 0.000 1.320 458 I HN 0.805 nan 8.210 nan 0.000 0.458 459 N N 4.714 123.410 118.700 -0.006 0.000 2.684 459 N HA -0.270 4.470 4.740 -0.000 0.000 0.284 459 N C 0.749 176.251 175.510 -0.013 0.000 1.067 459 N CA 0.446 53.491 53.050 -0.008 0.000 0.791 459 N CB -1.015 37.470 38.487 -0.004 0.000 0.934 459 N HN 1.136 nan 8.380 nan 0.000 0.566 460 G N -0.202 108.585 108.800 -0.021 0.000 2.225 460 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.254 460 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.254 460 G C -0.107 174.777 174.900 -0.026 0.000 0.988 460 G CA 0.539 45.624 45.100 -0.025 0.000 0.625 460 G HN 0.743 nan 8.290 nan 0.000 0.527 461 N N -1.105 117.581 118.700 -0.024 0.000 2.647 461 N HA 0.597 5.337 4.740 -0.000 0.000 0.266 461 N C -0.763 174.730 175.510 -0.029 0.000 1.373 461 N CA 0.165 53.200 53.050 -0.024 0.000 0.807 461 N CB 1.504 39.983 38.487 -0.014 0.000 1.513 461 N HN 0.191 nan 8.380 nan 0.000 0.505 462 c N 0.290 118.870 118.600 -0.033 0.000 2.358 462 c HA 0.439 5.009 4.570 -0.000 0.000 0.342 462 c C 1.959 176.034 174.090 -0.025 0.000 1.234 462 c CA -0.514 55.792 56.329 -0.037 0.000 1.969 462 c CB 0.618 43.094 42.510 -0.056 0.000 2.346 462 c HN 0.852 nan 8.230 nan 0.000 0.525 463 T N -0.848 113.693 114.554 -0.021 0.000 3.081 463 T HA 0.317 4.667 4.350 -0.000 0.000 0.250 463 T C 0.794 175.483 174.700 -0.019 0.000 1.100 463 T CA 0.646 62.738 62.100 -0.014 0.000 1.038 463 T CB 0.131 68.996 68.868 -0.006 0.000 0.962 463 T HN 0.883 nan 8.240 nan 0.000 0.516 464 G N 0.725 109.508 108.800 -0.029 0.000 3.247 464 G HA2 0.655 4.615 3.960 -0.000 0.000 0.199 464 G HA3 0.655 4.615 3.960 -0.000 0.000 0.199 464 G C -0.671 174.203 174.900 -0.043 0.000 1.172 464 G CA -1.298 43.782 45.100 -0.034 0.000 0.844 464 G HN 0.391 nan 8.290 nan 0.000 0.619 465 I N 0.734 121.274 120.570 -0.049 0.000 2.872 465 I HA 0.111 4.281 4.170 -0.000 0.000 0.291 465 I C 0.001 176.061 176.117 -0.095 0.000 1.216 465 I CA 0.764 62.030 61.300 -0.057 0.000 1.424 465 I CB 0.555 38.526 38.000 -0.047 0.000 1.351 465 I HN 0.209 nan 8.210 nan 0.000 0.592 466 K N 6.187 126.499 120.400 -0.147 0.000 2.324 466 K HA 0.615 4.935 4.320 -0.000 0.000 0.253 466 K C -1.214 175.112 176.600 -0.457 0.000 0.932 466 K CA -0.717 55.401 56.287 -0.283 0.000 0.799 466 K CB 2.312 34.625 32.500 -0.311 0.000 1.154 466 K HN 0.295 nan 8.250 nan 0.000 0.425 467 I N 2.924 123.219 120.570 -0.460 0.000 2.474 467 I HA 0.305 4.475 4.170 -0.000 0.000 0.294 467 I C -0.824 174.980 176.117 -0.523 0.000 1.005 467 I CA -0.917 60.101 61.300 -0.470 0.000 1.113 467 I CB 1.133 38.954 38.000 -0.300 0.000 1.289 467 I HN 0.549 nan 8.210 nan 0.000 0.436 468 Y N 4.402 124.648 120.300 -0.090 0.000 2.334 468 Y HA 0.468 5.018 4.550 -0.000 0.000 0.336 468 Y C 0.175 176.043 175.900 -0.053 0.000 0.960 468 Y CA -0.907 57.173 58.100 -0.034 0.000 1.164 468 Y CB 1.592 40.021 38.460 -0.052 0.000 1.155 468 Y HN 0.160 nan 8.280 nan 0.000 0.478 469 V N 3.871 123.876 119.914 0.152 0.000 2.394 469 V HA 0.400 4.520 4.120 -0.000 0.000 0.282 469 V C 0.238 176.381 176.094 0.081 0.000 1.031 469 V CA -0.792 61.549 62.300 0.069 0.000 0.881 469 V CB 1.249 33.117 31.823 0.076 0.000 0.982 469 V HN 0.910 nan 8.190 nan 0.000 0.451 470 S N 2.590 118.308 115.700 0.031 0.000 2.671 470 S HA 0.231 4.701 4.470 -0.000 0.000 0.272 470 S C 0.761 175.372 174.600 0.018 0.000 1.174 470 S CA -0.466 57.746 58.200 0.021 0.000 1.004 470 S CB 0.751 63.951 63.200 -0.000 0.000 1.077 470 S HN 0.646 nan 8.310 nan 0.000 0.553 471 D N 1.319 121.725 120.400 0.010 0.000 2.144 471 D HA -0.090 4.550 4.640 -0.000 0.000 0.199 471 D C 1.224 177.527 176.300 0.005 0.000 0.984 471 D CA 1.716 55.722 54.000 0.009 0.000 0.834 471 D CB -0.647 40.156 40.800 0.004 0.000 0.955 471 D HN 0.845 nan 8.370 nan 0.000 0.465 472 D N -1.177 119.222 120.400 -0.001 0.000 2.349 472 D HA 0.136 4.776 4.640 -0.000 0.000 0.224 472 D C 1.523 177.815 176.300 -0.013 0.000 1.029 472 D CA 0.785 54.783 54.000 -0.004 0.000 0.879 472 D CB -0.132 40.666 40.800 -0.004 0.000 0.906 472 D HN 0.222 nan 8.370 nan 0.000 0.528 473 G N -0.257 108.532 108.800 -0.018 0.000 2.199 473 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.254 473 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.254 473 G C 0.269 175.118 174.900 -0.085 0.000 0.982 473 G CA 0.122 45.194 45.100 -0.046 0.000 0.632 473 G HN 0.458 nan 8.290 nan 0.000 0.529 474 K N 0.608 120.973 120.400 -0.058 0.000 2.168 474 K HA 0.684 5.003 4.320 -0.000 0.000 0.258 474 K C 0.236 176.794 176.600 -0.070 0.000 1.010 474 K CA 0.398 56.647 56.287 -0.063 0.000 0.929 474 K CB 1.365 33.848 32.500 -0.029 0.000 0.998 474 K HN 0.908 nan 8.250 nan 0.000 0.479 475 A N 1.412 124.186 122.820 -0.077 0.000 2.589 475 A HA 0.296 4.616 4.320 -0.000 0.000 0.296 475 A C -1.933 175.525 177.584 -0.210 0.000 1.062 475 A CA -0.715 51.217 52.037 -0.174 0.000 0.686 475 A CB 1.030 19.833 19.000 -0.329 0.000 1.282 475 A HN 0.836 nan 8.150 nan 0.000 0.404 476 H N 0.371 119.224 119.070 -0.362 0.000 2.489 476 H HA 0.715 5.270 4.556 -0.000 0.000 0.322 476 H C -1.542 173.506 175.328 -0.467 0.000 1.091 476 H CA -0.147 55.741 56.048 -0.268 0.000 1.291 476 H CB 0.450 30.124 29.762 -0.146 0.000 1.436 476 H HN 0.417 nan 8.280 nan 0.000 0.480 477 F N 2.358 122.009 119.950 -0.499 0.000 2.520 477 F HA 0.400 4.927 4.527 -0.000 0.000 0.322 477 F C -0.008 175.584 175.800 -0.346 0.000 1.103 477 F CA -0.723 57.143 58.000 -0.224 0.000 0.926 477 F CB 2.168 41.209 39.000 0.068 0.000 1.154 477 F HN 0.417 nan 8.300 nan 0.000 0.453 478 S N 4.330 120.069 115.700 0.065 0.000 2.707 478 S HA 0.766 5.236 4.470 -0.000 0.000 0.303 478 S C -1.132 173.564 174.600 0.160 0.000 1.132 478 S CA -0.382 57.856 58.200 0.064 0.000 1.046 478 S CB 0.201 63.453 63.200 0.087 0.000 1.004 478 S HN 0.517 nan 8.310 nan 0.000 0.483 479 I N 3.531 124.239 120.570 0.230 0.000 2.468 479 I HA 0.336 4.506 4.170 -0.000 0.000 0.285 479 I C 0.147 176.358 176.117 0.156 0.000 1.039 479 I CA -0.633 60.777 61.300 0.183 0.000 1.074 479 I CB 2.050 40.160 38.000 0.182 0.000 1.228 479 I HN 0.550 nan 8.210 nan 0.000 0.436 480 S N 4.549 120.312 115.700 0.105 0.000 2.565 480 S HA 0.113 4.583 4.470 -0.000 0.000 0.276 480 S C 1.339 175.982 174.600 0.070 0.000 1.326 480 S CA -0.642 57.614 58.200 0.093 0.000 1.045 480 S CB 0.593 63.838 63.200 0.074 0.000 0.918 480 S HN 0.753 nan 8.310 nan 0.000 0.505 481 N N 3.245 121.982 118.700 0.061 0.000 2.609 481 N HA -0.053 4.687 4.740 -0.000 0.000 0.190 481 N C 0.642 176.172 175.510 0.034 0.000 1.157 481 N CA 0.430 53.495 53.050 0.025 0.000 0.918 481 N CB -0.208 38.282 38.487 0.005 0.000 0.978 481 N HN 0.400 nan 8.380 nan 0.000 0.448 482 S N -0.338 115.390 115.700 0.046 0.000 2.535 482 S HA 0.317 4.787 4.470 -0.000 0.000 0.214 482 S C 0.943 175.565 174.600 0.037 0.000 0.980 482 S CA -0.326 57.898 58.200 0.041 0.000 0.907 482 S CB 0.220 63.446 63.200 0.043 0.000 0.790 482 S HN 0.624 nan 8.310 nan 0.000 0.510 483 A N 1.849 124.693 122.820 0.040 0.000 2.507 483 A HA 0.100 4.420 4.320 -0.000 0.000 0.235 483 A C 1.383 178.988 177.584 0.035 0.000 1.070 483 A CA -0.087 51.970 52.037 0.034 0.000 0.768 483 A CB 0.109 19.130 19.000 0.035 0.000 1.011 483 A HN 0.433 nan 8.150 nan 0.000 0.502 484 E N 0.421 120.634 120.200 0.022 0.000 2.058 484 E HA -0.170 4.180 4.350 -0.000 0.000 0.194 484 E C -0.547 176.083 176.600 0.051 0.000 0.997 484 E CA 1.388 57.801 56.400 0.023 0.000 0.801 484 E CB 0.064 29.764 29.700 -0.000 0.000 0.746 484 E HN 0.700 nan 8.360 nan 0.000 0.450 485 D N 0.959 121.386 120.400 0.044 0.000 2.454 485 D HA 0.139 4.779 4.640 -0.000 0.000 0.247 485 D C -2.200 174.167 176.300 0.112 0.000 1.129 485 D CA -1.507 52.556 54.000 0.105 0.000 0.877 485 D CB 1.657 42.435 40.800 -0.036 0.000 1.082 485 D HN 0.174 nan 8.370 nan 0.000 0.537 486 P HA 0.046 nan 4.420 nan 0.000 0.269 486 P C -0.703 176.738 177.300 0.235 0.000 1.601 486 P CA -0.066 63.131 63.100 0.161 0.000 0.831 486 P CB -0.777 30.985 31.700 0.103 0.000 1.688 487 F N -1.515 118.367 119.950 -0.113 0.000 2.654 487 F HA 0.654 5.181 4.527 -0.000 0.000 0.308 487 F C -1.555 174.085 175.800 -0.266 0.000 1.108 487 F CA -2.321 55.510 58.000 -0.282 0.000 0.957 487 F CB 0.742 39.471 39.000 -0.452 0.000 1.309 487 F HN -0.322 nan 8.300 nan 0.000 0.446 488 I N 2.438 122.794 120.570 -0.358 0.000 2.545 488 I HA 0.802 4.971 4.170 -0.000 0.000 0.292 488 I C -0.735 175.193 176.117 -0.315 0.000 1.040 488 I CA -1.170 59.948 61.300 -0.304 0.000 1.068 488 I CB 2.022 39.999 38.000 -0.038 0.000 1.251 488 I HN 1.011 nan 8.210 nan 0.000 0.424 489 A N 7.514 130.197 122.820 -0.228 0.000 2.398 489 A HA 0.913 5.233 4.320 -0.000 0.000 0.301 489 A C -0.884 176.748 177.584 0.080 0.000 1.041 489 A CA -0.487 51.484 52.037 -0.109 0.000 0.711 489 A CB 1.378 20.254 19.000 -0.208 0.000 1.240 489 A HN 0.728 nan 8.150 nan 0.000 0.420 490 I N 0.003 120.688 120.570 0.191 0.000 2.769 490 I HA 0.924 5.094 4.170 -0.000 0.000 0.298 490 I C -0.703 175.494 176.117 0.135 0.000 1.128 490 I CA -0.930 60.425 61.300 0.092 0.000 1.031 490 I CB 2.401 40.407 38.000 0.010 0.000 1.235 490 I HN 0.935 nan 8.210 nan 0.000 0.423 491 H N 2.824 121.959 119.070 0.109 0.000 2.966 491 H HA 0.751 5.307 4.556 -0.000 0.000 0.330 491 H C 0.521 175.929 175.328 0.134 0.000 1.292 491 H CA -0.402 55.629 56.048 -0.029 0.000 1.127 491 H CB 1.171 30.752 29.762 -0.302 0.000 1.863 491 H HN 0.675 nan 8.280 nan 0.000 0.543 492 A N 0.205 123.189 122.820 0.273 0.000 1.971 492 A HA -0.237 4.083 4.320 -0.000 0.000 0.222 492 A C 1.558 179.261 177.584 0.198 0.000 1.182 492 A CA 2.126 54.305 52.037 0.237 0.000 0.649 492 A CB -0.697 18.372 19.000 0.114 0.000 0.818 492 A HN 0.737 nan 8.150 nan 0.000 0.458 493 E N -0.245 120.163 120.200 0.347 0.000 2.489 493 E HA 0.006 4.356 4.350 -0.000 0.000 0.193 493 E C 1.455 178.095 176.600 0.066 0.000 1.057 493 E CA 0.828 57.356 56.400 0.213 0.000 0.866 493 E CB -0.025 29.819 29.700 0.239 0.000 0.916 493 E HN 0.748 nan 8.360 nan 0.000 0.500 494 S N -0.210 115.396 115.700 -0.156 0.000 2.568 494 S HA 0.136 4.606 4.470 -0.000 0.000 0.232 494 S C 0.697 175.215 174.600 -0.136 0.000 0.975 494 S CA -0.464 57.606 58.200 -0.217 0.000 0.949 494 S CB 0.183 63.113 63.200 -0.450 0.000 0.829 494 S HN -0.032 nan 8.310 nan 0.000 0.479 495 K N 1.868 122.160 120.400 -0.181 0.000 2.276 495 K HA 0.372 4.692 4.320 -0.000 0.000 0.283 495 K C -0.140 176.281 176.600 -0.298 0.000 1.044 495 K CA -0.584 55.412 56.287 -0.485 0.000 0.944 495 K CB 0.496 32.560 32.500 -0.726 0.000 1.012 495 K HN 0.308 nan 8.250 nan 0.000 0.472 496 L N 0.000 121.050 121.223 -0.288 0.000 2.949 496 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 496 L CA 0.000 54.739 54.840 -0.168 0.000 0.813 496 L CB 0.000 41.984 42.059 -0.125 0.000 0.961 496 L HN 0.000 nan 8.230 nan 0.000 0.502