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 1nu1_1_B DATA FIRST_RESID 17 DATA SEQUENCE VPPHPQDLEF TRLPNGLVIA SLENYAPASR IGLFIKAGSR YENSNNLGTS DATA SEQUENCE HLLRLASSLT TKGASSFKIT RGIEAVGGKL SVTSTRENMA YTVECLRDDV DATA SEQUENCE DILMEFLLNV TTAPEFRRWE VAALQPQLRI DKAVALQNPQ AHVIENLHAA DATA SEQUENCE AYRNALANSL YCPDYRIGKV TPVELHDYVQ NHFTSARMAL IGLGVSHPVL DATA SEQUENCE KQVAEQFLNI RGGLGLSGAK AKYHGGEIRE QNGDSLVHAA LVAESAAIGS DATA SEQUENCE AEANAFSVLQ HVLGAGPHVK RGSNATSSLY QAVAKGVHQP FDVSAFNASY DATA SEQUENCE SDSGLFGFYT ISQAASAGDV IKAAYNQVKT IAQGNLSNPD VQAAKNKLKA DATA SEQUENCE GYLMSVESSE GFLDEVGSQA LAAGSYTPPS TVLQQIDAVA DADVINAAKK DATA SEQUENCE FVSGRKSMAA SGNLGHTPFI DEL 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 17 V HA 0.000 nan 4.120 nan 0.000 0.244 17 V C 0.000 176.093 176.094 -0.001 0.000 1.182 17 V CA 0.000 62.300 62.300 0.000 0.000 1.235 17 V CB 0.000 31.824 31.823 0.002 0.000 1.184 18 P HA 0.704 nan 4.420 nan 0.000 0.276 18 P C -2.443 174.860 177.300 0.005 0.000 1.244 18 P CA -0.843 62.253 63.100 -0.006 0.000 0.801 18 P CB 0.089 31.778 31.700 -0.018 0.000 1.006 19 P HA 0.146 nan 4.420 nan 0.000 0.272 19 P C -0.490 176.847 177.300 0.062 0.000 1.230 19 P CA -0.124 63.002 63.100 0.044 0.000 0.788 19 P CB 0.281 32.005 31.700 0.039 0.000 0.949 20 H N 1.136 120.226 119.070 0.034 0.000 2.815 20 H HA 0.189 4.745 4.556 -0.000 0.000 0.350 20 H C -1.670 173.693 175.328 0.058 0.000 1.080 20 H CA -0.537 55.532 56.048 0.035 0.000 1.433 20 H CB -0.166 29.613 29.762 0.029 0.000 1.432 20 H HN 0.351 nan 8.280 nan 0.000 0.592 21 P HA 0.134 nan 4.420 nan 0.000 0.293 21 P C -0.540 176.818 177.300 0.098 0.000 1.298 21 P CA -0.545 62.564 63.100 0.015 0.000 0.757 21 P CB 0.745 32.396 31.700 -0.082 0.000 1.262 22 Q N -0.465 119.352 119.800 0.028 0.000 2.576 22 Q HA 0.377 4.717 4.340 -0.000 0.000 0.249 22 Q C -0.981 175.026 176.000 0.011 0.000 1.041 22 Q CA -0.538 55.280 55.803 0.025 0.000 0.928 22 Q CB 0.947 29.657 28.738 -0.046 0.000 1.302 22 Q HN 0.384 nan 8.270 nan 0.000 0.504 23 D N 0.829 121.236 120.400 0.011 0.000 2.228 23 D HA 0.364 5.004 4.640 -0.000 0.000 0.247 23 D C -0.629 175.664 176.300 -0.011 0.000 0.995 23 D CA -0.568 53.441 54.000 0.016 0.000 0.903 23 D CB 1.244 42.063 40.800 0.031 0.000 1.205 23 D HN 0.285 nan 8.370 nan 0.000 0.459 24 L N 0.749 121.960 121.223 -0.019 0.000 2.397 24 L HA 0.268 4.608 4.340 -0.000 0.000 0.271 24 L C -0.159 176.693 176.870 -0.030 0.000 1.148 24 L CA 0.033 54.840 54.840 -0.054 0.000 0.825 24 L CB 0.431 42.339 42.059 -0.252 0.000 1.117 24 L HN 0.240 nan 8.230 nan 0.000 0.456 25 E N 4.602 124.792 120.200 -0.016 0.000 2.195 25 E HA 0.367 4.717 4.350 -0.000 0.000 0.271 25 E C -1.641 174.989 176.600 0.050 0.000 0.923 25 E CA -0.550 55.757 56.400 -0.155 0.000 0.790 25 E CB 2.657 32.049 29.700 -0.514 0.000 1.155 25 E HN 0.540 nan 8.360 nan 0.000 0.402 26 F N 0.968 120.847 119.950 -0.119 0.000 2.573 26 F HA 0.348 4.875 4.527 -0.000 0.000 0.316 26 F C -1.177 174.687 175.800 0.106 0.000 1.148 26 F CA -0.204 57.851 58.000 0.092 0.000 0.940 26 F CB 2.078 41.114 39.000 0.060 0.000 1.214 26 F HN 0.217 nan 8.300 nan 0.000 0.448 27 T N 5.991 120.488 114.554 -0.094 0.000 2.928 27 T HA 0.423 4.773 4.350 -0.000 0.000 0.296 27 T C -0.834 173.778 174.700 -0.146 0.000 1.000 27 T CA -0.695 61.418 62.100 0.021 0.000 0.989 27 T CB 1.408 70.393 68.868 0.195 0.000 1.005 27 T HN 0.507 nan 8.240 nan 0.000 0.442 28 R N 2.986 123.484 120.500 -0.003 0.000 2.229 28 R HA 0.492 4.832 4.340 -0.000 0.000 0.328 28 R C -0.235 176.066 176.300 0.001 0.000 1.009 28 R CA -0.628 55.466 56.100 -0.011 0.000 0.864 28 R CB 1.056 31.408 30.300 0.085 0.000 1.085 28 R HN 0.484 nan 8.270 nan 0.000 0.453 29 L N 4.981 126.191 121.223 -0.023 0.000 2.418 29 L HA 0.223 4.562 4.340 -0.000 0.000 0.265 29 L C -0.935 175.935 176.870 -0.001 0.000 1.143 29 L CA -1.834 52.999 54.840 -0.012 0.000 0.809 29 L CB 0.791 42.834 42.059 -0.026 0.000 1.124 29 L HN 0.372 nan 8.230 nan 0.000 0.456 30 P HA -0.173 nan 4.420 nan 0.000 0.219 30 P C 0.673 177.973 177.300 0.000 0.000 1.146 30 P CA 1.312 64.415 63.100 0.005 0.000 0.808 30 P CB -0.128 31.574 31.700 0.002 0.000 0.779 31 N N -0.463 118.233 118.700 -0.007 0.000 2.571 31 N HA -0.023 4.716 4.740 -0.000 0.000 0.189 31 N C 1.433 176.939 175.510 -0.007 0.000 1.154 31 N CA 1.382 54.426 53.050 -0.010 0.000 0.907 31 N CB -0.954 37.523 38.487 -0.017 0.000 0.977 31 N HN 0.282 nan 8.380 nan 0.000 0.449 32 G N -0.579 108.219 108.800 -0.004 0.000 2.238 32 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.217 32 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.217 32 G C -0.245 174.650 174.900 -0.009 0.000 0.996 32 G CA 0.049 45.149 45.100 0.001 0.000 0.632 32 G HN 0.450 nan 8.290 nan 0.000 0.503 33 L N 1.944 123.152 121.223 -0.024 0.000 2.456 33 L HA 0.601 4.941 4.340 -0.000 0.000 0.272 33 L C 0.531 177.356 176.870 -0.076 0.000 1.189 33 L CA -0.081 54.734 54.840 -0.041 0.000 0.846 33 L CB 1.214 43.247 42.059 -0.043 0.000 1.111 33 L HN 0.102 nan 8.230 nan 0.000 0.475 34 V N 5.911 125.756 119.914 -0.114 0.000 2.667 34 V HA 0.517 4.637 4.120 -0.000 0.000 0.308 34 V C 0.004 175.931 176.094 -0.278 0.000 1.048 34 V CA -0.591 61.557 62.300 -0.253 0.000 0.928 34 V CB 1.794 33.468 31.823 -0.248 0.000 1.004 34 V HN 0.555 nan 8.190 nan 0.000 0.444 35 I N 2.921 123.249 120.570 -0.403 0.000 2.569 35 I HA 0.790 4.960 4.170 -0.000 0.000 0.290 35 I C -0.338 175.580 176.117 -0.332 0.000 1.088 35 I CA -0.544 60.569 61.300 -0.312 0.000 1.047 35 I CB 2.082 39.910 38.000 -0.286 0.000 1.237 35 I HN 0.729 nan 8.210 nan 0.000 0.421 36 A N 4.262 126.969 122.820 -0.188 0.000 2.549 36 A HA 0.906 5.226 4.320 -0.000 0.000 0.297 36 A C -0.720 176.890 177.584 0.045 0.000 1.061 36 A CA -0.414 51.636 52.037 0.022 0.000 0.690 36 A CB 2.140 21.159 19.000 0.032 0.000 1.287 36 A HN 0.773 nan 8.150 nan 0.000 0.402 37 S N 0.851 116.652 115.700 0.168 0.000 2.656 37 S HA 0.872 5.342 4.470 -0.000 0.000 0.273 37 S C -1.486 173.179 174.600 0.108 0.000 1.168 37 S CA -0.685 57.587 58.200 0.121 0.000 0.817 37 S CB 1.462 64.728 63.200 0.111 0.000 1.146 37 S HN 1.504 nan 8.310 nan 0.000 0.475 38 L N 0.822 122.089 121.223 0.073 0.000 2.526 38 L HA 0.574 4.914 4.340 -0.000 0.000 0.263 38 L C -1.635 175.198 176.870 -0.062 0.000 0.943 38 L CA -0.315 54.532 54.840 0.012 0.000 0.859 38 L CB 2.184 44.271 42.059 0.046 0.000 1.313 38 L HN 1.018 nan 8.230 nan 0.000 0.406 39 E N 4.039 124.145 120.200 -0.158 0.000 2.282 39 E HA 0.179 4.529 4.350 -0.000 0.000 0.247 39 E C -0.595 175.724 176.600 -0.467 0.000 1.113 39 E CA -0.429 55.791 56.400 -0.301 0.000 1.095 39 E CB 0.075 29.545 29.700 -0.383 0.000 1.328 39 E HN 0.549 nan 8.360 nan 0.000 0.463 40 N N 1.790 120.325 118.700 -0.276 0.000 2.497 40 N HA -0.039 4.701 4.740 -0.000 0.000 0.268 40 N C -0.295 175.096 175.510 -0.198 0.000 1.171 40 N CA -0.444 52.473 53.050 -0.221 0.000 0.948 40 N CB 0.504 38.907 38.487 -0.141 0.000 1.069 40 N HN 0.276 nan 8.380 nan 0.000 0.460 41 Y N 0.981 121.270 120.300 -0.019 0.000 2.497 41 Y HA 0.059 4.609 4.550 -0.000 0.000 0.345 41 Y C 1.436 177.331 175.900 -0.008 0.000 1.204 41 Y CA -0.341 57.754 58.100 -0.008 0.000 1.265 41 Y CB -0.969 37.488 38.460 -0.005 0.000 1.121 41 Y HN 0.662 nan 8.280 nan 0.000 0.493 42 A N 1.144 124.009 122.820 0.076 0.000 2.609 42 A HA -0.045 4.275 4.320 -0.000 0.000 0.232 42 A C -1.283 176.333 177.584 0.053 0.000 1.041 42 A CA -0.822 51.243 52.037 0.046 0.000 0.753 42 A CB 0.088 19.096 19.000 0.014 0.000 0.966 42 A HN 0.249 nan 8.150 nan 0.000 0.510 43 P HA 0.146 nan 4.420 nan 0.000 0.237 43 P C 0.155 177.473 177.300 0.029 0.000 1.178 43 P CA 1.526 64.647 63.100 0.035 0.000 0.766 43 P CB 0.234 31.949 31.700 0.026 0.000 0.876 44 A N -1.570 121.266 122.820 0.026 0.000 2.435 44 A HA 0.741 5.061 4.320 -0.000 0.000 0.296 44 A C -0.448 177.151 177.584 0.024 0.000 1.147 44 A CA -0.394 51.656 52.037 0.023 0.000 0.775 44 A CB 1.239 20.251 19.000 0.020 0.000 1.340 44 A HN -0.143 nan 8.150 nan 0.000 0.427 45 S N -0.168 115.547 115.700 0.024 0.000 2.542 45 S HA 0.676 5.146 4.470 -0.000 0.000 0.293 45 S C -0.699 173.921 174.600 0.032 0.000 1.089 45 S CA -0.648 57.568 58.200 0.027 0.000 0.961 45 S CB 1.381 64.595 63.200 0.023 0.000 1.062 45 S HN 0.570 nan 8.310 nan 0.000 0.483 46 R N 2.006 122.531 120.500 0.042 0.000 2.476 46 R HA 0.531 4.871 4.340 -0.000 0.000 0.305 46 R C -1.357 174.974 176.300 0.052 0.000 0.965 46 R CA -0.610 55.520 56.100 0.050 0.000 0.867 46 R CB 1.317 31.660 30.300 0.072 0.000 1.176 46 R HN 0.439 nan 8.270 nan 0.000 0.447 47 I N 1.734 122.327 120.570 0.037 0.000 2.436 47 I HA 0.429 4.599 4.170 -0.000 0.000 0.289 47 I C 0.344 176.470 176.117 0.015 0.000 1.010 47 I CA -0.643 60.676 61.300 0.032 0.000 1.098 47 I CB 1.794 39.802 38.000 0.013 0.000 1.266 47 I HN 0.685 nan 8.210 nan 0.000 0.434 48 G N 6.092 114.912 108.800 0.033 0.000 2.683 48 G HA2 0.539 4.499 3.960 -0.000 0.000 0.299 48 G HA3 0.539 4.499 3.960 -0.000 0.000 0.299 48 G C -1.520 173.321 174.900 -0.099 0.000 1.432 48 G CA -0.445 44.594 45.100 -0.101 0.000 0.978 48 G HN 0.411 nan 8.290 nan 0.000 0.513 49 L N 2.907 124.030 121.223 -0.166 0.000 2.260 49 L HA 0.691 5.031 4.340 -0.000 0.000 0.289 49 L C -1.210 175.535 176.870 -0.208 0.000 1.057 49 L CA -0.984 53.801 54.840 -0.091 0.000 0.811 49 L CB -0.083 41.914 42.059 -0.103 0.000 1.184 49 L HN 0.314 nan 8.230 nan 0.000 0.429 50 F N 6.244 126.174 119.950 -0.034 0.000 2.410 50 F HA 0.533 5.060 4.527 -0.000 0.000 0.349 50 F C 0.269 176.026 175.800 -0.072 0.000 1.117 50 F CA -0.338 57.643 58.000 -0.032 0.000 1.104 50 F CB 0.824 39.815 39.000 -0.016 0.000 1.122 50 F HN 0.282 nan 8.300 nan 0.000 0.483 51 I N 2.832 123.419 120.570 0.028 0.000 2.569 51 I HA 0.314 4.484 4.170 -0.000 0.000 0.296 51 I C -0.167 175.956 176.117 0.010 0.000 1.028 51 I CA -1.136 60.121 61.300 -0.071 0.000 1.082 51 I CB 2.070 39.844 38.000 -0.376 0.000 1.264 51 I HN 0.428 nan 8.210 nan 0.000 0.429 52 K N 4.476 124.876 120.400 -0.000 0.000 2.243 52 K HA 0.357 4.677 4.320 -0.000 0.000 0.232 52 K C 0.348 176.851 176.600 -0.162 0.000 1.237 52 K CA -0.018 56.266 56.287 -0.007 0.000 1.161 52 K CB 0.231 32.695 32.500 -0.060 0.000 1.505 52 K HN 0.757 nan 8.250 nan 0.000 0.271 53 A N 1.362 124.205 122.820 0.038 0.000 2.592 53 A HA 0.244 4.564 4.320 -0.000 0.000 0.290 53 A C 0.725 178.515 177.584 0.344 0.000 0.998 53 A CA -0.453 51.629 52.037 0.075 0.000 0.983 53 A CB 0.529 19.758 19.000 0.380 0.000 1.240 53 A HN 0.556 nan 8.150 nan 0.000 0.535 54 G N -0.050 108.980 108.800 0.382 0.000 2.699 54 G HA2 0.305 4.265 3.960 -0.000 0.000 0.246 54 G HA3 0.305 4.265 3.960 -0.000 0.000 0.246 54 G C 1.287 176.305 174.900 0.198 0.000 1.219 54 G CA 0.469 45.711 45.100 0.236 0.000 0.866 54 G HN 0.944 nan 8.290 nan 0.000 0.572 55 S N -0.188 115.512 115.700 -0.001 0.000 2.423 55 S HA -0.253 4.217 4.470 -0.000 0.000 0.238 55 S C 2.024 176.544 174.600 -0.133 0.000 1.028 55 S CA 1.640 59.794 58.200 -0.077 0.000 1.000 55 S CB -0.345 62.752 63.200 -0.173 0.000 0.797 55 S HN 0.828 nan 8.310 nan 0.000 0.487 56 R N -0.199 120.120 120.500 -0.300 0.000 2.357 56 R HA 0.005 4.345 4.340 -0.000 0.000 0.202 56 R C 0.440 176.462 176.300 -0.463 0.000 1.047 56 R CA 0.958 56.782 56.100 -0.459 0.000 1.034 56 R CB -0.717 29.187 30.300 -0.661 0.000 0.875 56 R HN 0.603 nan 8.270 nan 0.000 0.473 57 Y N 0.990 121.265 120.300 -0.042 0.000 2.607 57 Y HA 0.319 4.869 4.550 -0.000 0.000 0.266 57 Y C 0.040 175.982 175.900 0.071 0.000 1.178 57 Y CA -0.751 57.324 58.100 -0.043 0.000 1.226 57 Y CB 0.394 38.686 38.460 -0.279 0.000 1.144 57 Y HN 0.125 nan 8.280 nan 0.000 0.528 58 E N 1.158 121.452 120.200 0.157 0.000 2.292 58 E HA 0.357 4.707 4.350 -0.000 0.000 0.258 58 E C -0.604 176.055 176.600 0.098 0.000 1.115 58 E CA -0.824 55.665 56.400 0.148 0.000 0.929 58 E CB 0.900 30.613 29.700 0.022 0.000 1.161 58 E HN 0.343 nan 8.360 nan 0.000 0.453 59 N N -2.489 116.263 118.700 0.087 0.000 2.732 59 N HA 0.059 4.799 4.740 -0.000 0.000 0.259 59 N C 0.131 175.678 175.510 0.062 0.000 1.402 59 N CA -0.420 52.671 53.050 0.068 0.000 0.829 59 N CB 1.098 39.633 38.487 0.080 0.000 1.495 59 N HN 0.299 nan 8.380 nan 0.000 0.511 60 S N -0.431 115.305 115.700 0.060 0.000 2.448 60 S HA -0.289 4.181 4.470 -0.000 0.000 0.247 60 S C 0.743 175.394 174.600 0.086 0.000 1.033 60 S CA 1.333 59.576 58.200 0.072 0.000 1.003 60 S CB -0.797 62.436 63.200 0.054 0.000 0.786 60 S HN 0.662 nan 8.310 nan 0.000 0.495 61 N N 2.537 121.280 118.700 0.072 0.000 2.299 61 N HA 0.067 4.807 4.740 -0.000 0.000 0.187 61 N C 0.335 175.876 175.510 0.051 0.000 1.099 61 N CA 0.675 53.766 53.050 0.069 0.000 0.867 61 N CB 0.016 38.538 38.487 0.057 0.000 0.974 61 N HN 0.858 nan 8.380 nan 0.000 0.477 62 N N -0.006 118.717 118.700 0.038 0.000 2.471 62 N HA 0.031 4.771 4.740 -0.000 0.000 0.270 62 N C -0.826 174.654 175.510 -0.050 0.000 1.490 62 N CA -0.196 52.850 53.050 -0.007 0.000 0.850 62 N CB -0.667 37.829 38.487 0.014 0.000 1.411 62 N HN -0.059 nan 8.380 nan 0.000 0.488 63 L N 0.724 121.925 121.223 -0.037 0.000 2.601 63 L HA 0.338 4.678 4.340 -0.000 0.000 0.277 63 L C 1.523 178.316 176.870 -0.128 0.000 1.219 63 L CA 1.469 56.270 54.840 -0.065 0.000 0.915 63 L CB 0.030 42.079 42.059 -0.017 0.000 1.160 63 L HN 0.558 nan 8.230 nan 0.000 0.494 64 G N 1.329 110.047 108.800 -0.138 0.000 2.218 64 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.216 64 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.216 64 G C 0.822 175.616 174.900 -0.177 0.000 0.994 64 G CA 0.211 45.238 45.100 -0.121 0.000 0.637 64 G HN 0.566 nan 8.290 nan 0.000 0.505 65 T N 1.592 115.987 114.554 -0.265 0.000 2.849 65 T HA -0.064 4.286 4.350 -0.000 0.000 0.270 65 T C 2.589 176.992 174.700 -0.496 0.000 1.066 65 T CA 2.433 64.311 62.100 -0.370 0.000 1.130 65 T CB -0.291 68.347 68.868 -0.383 0.000 0.864 65 T HN 1.165 nan 8.240 nan 0.000 0.481 66 S N -0.219 115.155 115.700 -0.544 0.000 2.562 66 S HA 0.043 4.513 4.470 -0.000 0.000 0.221 66 S C 1.562 176.073 174.600 -0.147 0.000 0.975 66 S CA 0.129 58.064 58.200 -0.442 0.000 0.918 66 S CB -0.397 62.585 63.200 -0.362 0.000 0.772 66 S HN 0.731 nan 8.310 nan 0.000 0.531 67 H N 0.434 119.353 119.070 -0.251 0.000 2.284 67 H HA 0.168 4.724 4.556 -0.000 0.000 0.314 67 H C 2.099 177.336 175.328 -0.151 0.000 1.058 67 H CA 0.792 56.724 56.048 -0.193 0.000 1.394 67 H CB -0.212 29.443 29.762 -0.177 0.000 1.431 67 H HN 0.311 nan 8.280 nan 0.000 0.537 68 L N 1.644 122.760 121.223 -0.178 0.000 2.151 68 L HA -0.208 4.131 4.340 -0.000 0.000 0.215 68 L C 2.284 179.056 176.870 -0.162 0.000 1.084 68 L CA 1.255 55.952 54.840 -0.239 0.000 0.764 68 L CB -0.951 40.969 42.059 -0.231 0.000 0.891 68 L HN 0.435 nan 8.230 nan 0.000 0.435 69 L N -0.766 120.371 121.223 -0.143 0.000 2.005 69 L HA -0.250 4.090 4.340 -0.000 0.000 0.207 69 L C 2.762 179.672 176.870 0.067 0.000 1.072 69 L CA 1.765 56.580 54.840 -0.042 0.000 0.744 69 L CB -0.337 41.703 42.059 -0.032 0.000 0.895 69 L HN 0.323 nan 8.230 nan 0.000 0.433 70 R N -0.221 120.294 120.500 0.026 0.000 2.170 70 R HA -0.185 4.155 4.340 -0.000 0.000 0.242 70 R C 2.005 178.293 176.300 -0.021 0.000 1.145 70 R CA 1.332 57.424 56.100 -0.014 0.000 0.984 70 R CB -0.071 30.224 30.300 -0.009 0.000 0.869 70 R HN 0.429 nan 8.270 nan 0.000 0.455 71 L N -0.990 120.213 121.223 -0.033 0.000 2.513 71 L HA 0.196 4.536 4.340 -0.000 0.000 0.222 71 L C 1.509 178.377 176.870 -0.004 0.000 1.096 71 L CA 0.308 55.118 54.840 -0.049 0.000 0.857 71 L CB 0.156 42.134 42.059 -0.134 0.000 1.026 71 L HN 0.165 nan 8.230 nan 0.000 0.469 72 A N -0.163 122.686 122.820 0.048 0.000 2.411 72 A HA 0.040 4.360 4.320 -0.000 0.000 0.251 72 A C 1.933 179.612 177.584 0.158 0.000 1.317 72 A CA 0.517 52.619 52.037 0.108 0.000 0.904 72 A CB -0.369 18.733 19.000 0.171 0.000 0.993 72 A HN 0.356 nan 8.150 nan 0.000 0.504 73 S N -0.070 115.716 115.700 0.143 0.000 2.603 73 S HA -0.038 4.432 4.470 -0.000 0.000 0.229 73 S C 1.142 175.805 174.600 0.106 0.000 0.972 73 S CA 1.069 59.383 58.200 0.190 0.000 0.935 73 S CB -0.470 62.851 63.200 0.201 0.000 0.769 73 S HN 1.008 nan 8.310 nan 0.000 0.536 74 S N 0.251 115.985 115.700 0.057 0.000 2.941 74 S HA 0.446 4.916 4.470 -0.000 0.000 0.251 74 S C 0.136 174.749 174.600 0.021 0.000 1.029 74 S CA -0.830 57.380 58.200 0.018 0.000 1.062 74 S CB -0.260 62.926 63.200 -0.024 0.000 0.977 74 S HN 0.367 nan 8.310 nan 0.000 0.552 75 L N 2.565 123.808 121.223 0.032 0.000 2.475 75 L HA 0.387 4.727 4.340 -0.000 0.000 0.253 75 L C 1.152 178.019 176.870 -0.005 0.000 1.198 75 L CA -0.356 54.496 54.840 0.021 0.000 0.814 75 L CB 0.305 42.383 42.059 0.031 0.000 1.134 75 L HN 0.457 nan 8.230 nan 0.000 0.478 76 T N -1.605 112.943 114.554 -0.009 0.000 2.930 76 T HA 0.263 4.613 4.350 -0.000 0.000 0.306 76 T C 0.154 174.817 174.700 -0.062 0.000 1.045 76 T CA -0.619 61.478 62.100 -0.004 0.000 1.134 76 T CB 0.872 69.761 68.868 0.034 0.000 0.961 76 T HN 0.792 nan 8.240 nan 0.000 0.545 77 T N -0.025 114.510 114.554 -0.033 0.000 2.927 77 T HA 0.526 4.876 4.350 -0.000 0.000 0.286 77 T C -0.432 174.250 174.700 -0.031 0.000 1.040 77 T CA -1.316 60.745 62.100 -0.064 0.000 1.010 77 T CB 0.928 69.773 68.868 -0.039 0.000 1.177 77 T HN 0.698 nan 8.240 nan 0.000 0.546 78 K N 0.676 121.053 120.400 -0.039 0.000 2.379 78 K HA 0.466 4.786 4.320 -0.000 0.000 0.284 78 K C 1.199 177.793 176.600 -0.009 0.000 1.044 78 K CA 0.340 56.617 56.287 -0.017 0.000 0.974 78 K CB 0.462 32.951 32.500 -0.019 0.000 0.962 78 K HN 1.090 nan 8.250 nan 0.000 0.474 79 G N 1.235 110.036 108.800 0.002 0.000 2.159 79 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.256 79 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.256 79 G C -0.055 174.847 174.900 0.003 0.000 0.977 79 G CA -0.049 45.047 45.100 -0.007 0.000 0.652 79 G HN 0.923 nan 8.290 nan 0.000 0.531 80 A N -0.361 122.485 122.820 0.042 0.000 2.538 80 A HA 0.769 5.089 4.320 -0.000 0.000 0.293 80 A C 0.088 177.739 177.584 0.111 0.000 1.065 80 A CA 0.849 52.953 52.037 0.111 0.000 0.936 80 A CB 0.122 19.234 19.000 0.187 0.000 1.481 80 A HN 1.974 nan 8.150 nan 0.000 0.394 81 S N 1.530 117.303 115.700 0.122 0.000 2.593 81 S HA 0.449 4.919 4.470 -0.000 0.000 0.269 81 S C 1.436 176.116 174.600 0.133 0.000 1.334 81 S CA 0.487 58.759 58.200 0.120 0.000 1.015 81 S CB 1.446 64.730 63.200 0.140 0.000 0.912 81 S HN 1.341 nan 8.310 nan 0.000 0.541 82 S N 0.966 116.736 115.700 0.117 0.000 2.380 82 S HA -0.208 4.262 4.470 -0.000 0.000 0.229 82 S C 1.405 176.074 174.600 0.114 0.000 1.050 82 S CA 1.986 60.244 58.200 0.097 0.000 1.100 82 S CB -0.966 62.300 63.200 0.111 0.000 0.984 82 S HN 0.735 nan 8.310 nan 0.000 0.434 83 F N 2.120 122.082 119.950 0.019 0.000 2.091 83 F HA -0.156 4.371 4.527 -0.000 0.000 0.299 83 F C 2.345 178.146 175.800 0.003 0.000 1.103 83 F CA 2.382 60.388 58.000 0.011 0.000 1.228 83 F CB -0.394 38.620 39.000 0.023 0.000 0.984 83 F HN 0.190 nan 8.300 nan 0.000 0.477 84 K N 0.439 120.951 120.400 0.188 0.000 2.097 84 K HA -0.130 4.190 4.320 -0.000 0.000 0.205 84 K C 2.131 178.700 176.600 -0.053 0.000 1.050 84 K CA 1.694 58.047 56.287 0.109 0.000 0.938 84 K CB -0.278 32.371 32.500 0.248 0.000 0.718 84 K HN 0.392 nan 8.250 nan 0.000 0.442 85 I N 0.777 121.293 120.570 -0.091 0.000 2.226 85 I HA -0.261 3.909 4.170 -0.000 0.000 0.245 85 I C 2.105 177.912 176.117 -0.517 0.000 1.100 85 I CA 1.363 62.406 61.300 -0.427 0.000 1.374 85 I CB -0.463 37.417 38.000 -0.200 0.000 1.057 85 I HN 0.234 nan 8.210 nan 0.000 0.413 86 T N 0.410 114.775 114.554 -0.313 0.000 2.668 86 T HA -0.093 4.257 4.350 -0.000 0.000 0.262 86 T C 2.081 176.575 174.700 -0.345 0.000 1.045 86 T CA 0.964 62.883 62.100 -0.303 0.000 1.152 86 T CB -0.139 68.583 68.868 -0.244 0.000 0.864 86 T HN 0.149 nan 8.240 nan 0.000 0.419 87 R N 0.904 121.136 120.500 -0.448 0.000 2.096 87 R HA 0.021 4.361 4.340 -0.000 0.000 0.235 87 R C 2.746 178.903 176.300 -0.238 0.000 1.127 87 R CA 1.435 57.284 56.100 -0.419 0.000 0.968 87 R CB -1.434 28.462 30.300 -0.673 0.000 0.861 87 R HN 0.517 nan 8.270 nan 0.000 0.440 88 G N 1.123 109.799 108.800 -0.208 0.000 2.459 88 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.217 88 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.217 88 G C 1.644 176.486 174.900 -0.096 0.000 1.183 88 G CA 0.648 45.727 45.100 -0.035 0.000 0.776 88 G HN 0.241 nan 8.290 nan 0.000 0.552 89 I N 0.307 120.664 120.570 -0.356 0.000 2.202 89 I HA -0.110 4.060 4.170 -0.000 0.000 0.242 89 I C 2.768 178.808 176.117 -0.129 0.000 1.091 89 I CA 1.144 62.294 61.300 -0.251 0.000 1.368 89 I CB -0.344 37.432 38.000 -0.373 0.000 1.058 89 I HN 0.249 nan 8.210 nan 0.000 0.410 90 E N 1.002 121.112 120.200 -0.150 0.000 2.118 90 E HA -0.225 4.125 4.350 -0.000 0.000 0.195 90 E C 2.313 178.872 176.600 -0.068 0.000 0.992 90 E CA 1.229 57.567 56.400 -0.104 0.000 0.804 90 E CB -0.152 29.476 29.700 -0.119 0.000 0.741 90 E HN 0.499 nan 8.360 nan 0.000 0.458 91 A N 1.011 123.792 122.820 -0.065 0.000 1.986 91 A HA -0.156 4.164 4.320 -0.000 0.000 0.220 91 A C 2.277 179.855 177.584 -0.010 0.000 1.171 91 A CA 1.653 53.672 52.037 -0.030 0.000 0.640 91 A CB -0.442 18.549 19.000 -0.015 0.000 0.811 91 A HN 0.263 nan 8.150 nan 0.000 0.451 92 V N -3.814 116.098 119.914 -0.004 0.000 3.376 92 V HA 0.556 4.676 4.120 -0.000 0.000 0.313 92 V C 1.105 177.198 176.094 -0.001 0.000 1.393 92 V CA 0.768 63.074 62.300 0.009 0.000 1.125 92 V CB -0.825 31.017 31.823 0.031 0.000 1.037 92 V HN 1.513 nan 8.190 nan 0.000 0.440 93 G N -0.076 108.715 108.800 -0.016 0.000 2.168 93 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.257 93 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.257 93 G C 0.680 175.570 174.900 -0.017 0.000 0.997 93 G CA 0.453 45.542 45.100 -0.018 0.000 0.708 93 G HN 1.448 nan 8.290 nan 0.000 0.520 94 G N -0.886 107.902 108.800 -0.019 0.000 2.588 94 G HA2 0.639 4.599 3.960 -0.000 0.000 0.281 94 G HA3 0.639 4.599 3.960 -0.000 0.000 0.281 94 G C -0.088 174.792 174.900 -0.035 0.000 1.236 94 G CA -0.269 44.822 45.100 -0.015 0.000 0.969 94 G HN 0.560 nan 8.290 nan 0.000 0.504 95 K N -1.112 119.270 120.400 -0.029 0.000 2.469 95 K HA 0.537 4.857 4.320 -0.000 0.000 0.254 95 K C -1.752 174.825 176.600 -0.037 0.000 0.939 95 K CA -0.800 55.463 56.287 -0.040 0.000 0.812 95 K CB 2.622 35.106 32.500 -0.027 0.000 1.301 95 K HN 0.300 nan 8.250 nan 0.000 0.433 96 L N 1.343 122.537 121.223 -0.049 0.000 2.372 96 L HA 0.507 4.847 4.340 -0.000 0.000 0.273 96 L C -1.425 175.424 176.870 -0.033 0.000 0.989 96 L CA 0.083 54.904 54.840 -0.032 0.000 0.841 96 L CB 1.627 43.658 42.059 -0.047 0.000 1.225 96 L HN 0.756 nan 8.230 nan 0.000 0.414 97 S N 3.675 119.351 115.700 -0.040 0.000 2.547 97 S HA 0.778 5.248 4.470 -0.000 0.000 0.281 97 S C -0.928 173.587 174.600 -0.141 0.000 1.118 97 S CA -0.658 57.498 58.200 -0.073 0.000 0.947 97 S CB 1.672 64.836 63.200 -0.060 0.000 1.053 97 S HN 0.986 nan 8.310 nan 0.000 0.482 98 V N 1.628 121.414 119.914 -0.212 0.000 2.448 98 V HA 0.894 5.014 4.120 -0.000 0.000 0.295 98 V C -0.465 175.456 176.094 -0.288 0.000 1.025 98 V CA 0.206 62.257 62.300 -0.415 0.000 0.859 98 V CB 1.339 32.718 31.823 -0.740 0.000 0.988 98 V HN 1.279 nan 8.190 nan 0.000 0.431 99 T N 3.799 118.191 114.554 -0.271 0.000 2.890 99 T HA 0.621 4.971 4.350 -0.000 0.000 0.295 99 T C -0.277 174.343 174.700 -0.133 0.000 0.993 99 T CA -0.294 61.711 62.100 -0.158 0.000 0.979 99 T CB 1.206 70.018 68.868 -0.093 0.000 0.967 99 T HN 0.838 nan 8.240 nan 0.000 0.441 100 S N 2.853 118.483 115.700 -0.118 0.000 2.654 100 S HA 0.856 5.326 4.470 -0.000 0.000 0.283 100 S C 0.420 174.975 174.600 -0.075 0.000 1.180 100 S CA -0.672 57.476 58.200 -0.087 0.000 1.021 100 S CB 1.580 64.717 63.200 -0.105 0.000 1.018 100 S HN 1.122 nan 8.310 nan 0.000 0.532 101 T N -1.261 113.266 114.554 -0.046 0.000 2.804 101 T HA 0.468 4.818 4.350 -0.000 0.000 0.290 101 T C 0.583 175.229 174.700 -0.090 0.000 1.099 101 T CA -0.935 61.136 62.100 -0.048 0.000 1.011 101 T CB 0.974 69.857 68.868 0.024 0.000 1.291 101 T HN 0.386 nan 8.240 nan 0.000 0.523 102 R N -0.074 120.333 120.500 -0.156 0.000 2.249 102 R HA 0.005 4.345 4.340 -0.000 0.000 0.230 102 R C 1.889 178.054 176.300 -0.224 0.000 1.121 102 R CA 1.632 57.568 56.100 -0.273 0.000 0.997 102 R CB -0.019 29.972 30.300 -0.516 0.000 0.867 102 R HN 0.709 nan 8.270 nan 0.000 0.465 103 E N -1.010 119.139 120.200 -0.085 0.000 2.288 103 E HA 0.081 4.431 4.350 -0.000 0.000 0.200 103 E C -0.051 176.653 176.600 0.173 0.000 0.880 103 E CA 0.162 56.576 56.400 0.024 0.000 0.971 103 E CB 0.523 30.252 29.700 0.049 0.000 0.954 103 E HN 0.326 nan 8.360 nan 0.000 0.489 104 N N -0.284 118.494 118.700 0.131 0.000 2.619 104 N HA 0.502 5.242 4.740 -0.000 0.000 0.294 104 N C -0.854 174.718 175.510 0.103 0.000 1.279 104 N CA -0.537 52.602 53.050 0.149 0.000 0.867 104 N CB 1.732 40.324 38.487 0.175 0.000 1.329 104 N HN -0.160 nan 8.380 nan 0.000 0.557 105 M N 0.734 120.380 119.600 0.077 0.000 2.457 105 M HA 0.578 5.058 4.480 -0.000 0.000 0.300 105 M C -1.572 174.684 176.300 -0.074 0.000 1.141 105 M CA -0.727 54.571 55.300 -0.003 0.000 0.901 105 M CB 2.404 35.035 32.600 0.052 0.000 1.687 105 M HN 0.637 nan 8.290 nan 0.000 0.449 106 A N 2.780 125.472 122.820 -0.214 0.000 2.410 106 A HA 0.654 4.974 4.320 -0.000 0.000 0.289 106 A C -1.876 175.463 177.584 -0.408 0.000 1.200 106 A CA -0.442 51.350 52.037 -0.409 0.000 0.751 106 A CB 0.410 19.148 19.000 -0.438 0.000 1.161 106 A HN 0.736 nan 8.150 nan 0.000 0.459 107 Y N 1.871 121.947 120.300 -0.374 0.000 2.452 107 Y HA 0.430 4.980 4.550 -0.000 0.000 0.348 107 Y C 0.671 176.407 175.900 -0.273 0.000 0.985 107 Y CA 0.311 58.268 58.100 -0.239 0.000 1.214 107 Y CB 1.300 39.661 38.460 -0.166 0.000 1.136 107 Y HN 0.584 nan 8.280 nan 0.000 0.523 108 T N 1.907 116.400 114.554 -0.102 0.000 2.847 108 T HA 0.527 4.877 4.350 -0.000 0.000 0.291 108 T C -0.802 173.881 174.700 -0.027 0.000 0.998 108 T CA -0.762 61.283 62.100 -0.091 0.000 0.967 108 T CB 1.404 70.210 68.868 -0.104 0.000 0.954 108 T HN 0.360 nan 8.240 nan 0.000 0.441 109 V N 3.047 122.960 119.914 -0.003 0.000 2.581 109 V HA 0.762 4.882 4.120 -0.000 0.000 0.303 109 V C -0.613 175.490 176.094 0.015 0.000 1.041 109 V CA -0.614 61.694 62.300 0.013 0.000 0.907 109 V CB 1.535 33.380 31.823 0.036 0.000 0.994 109 V HN 1.054 nan 8.190 nan 0.000 0.442 110 E N 6.154 126.362 120.200 0.013 0.000 2.356 110 E HA 0.753 5.103 4.350 -0.000 0.000 0.275 110 E C -1.155 175.455 176.600 0.016 0.000 0.904 110 E CA -0.579 55.831 56.400 0.017 0.000 0.757 110 E CB 2.170 31.879 29.700 0.016 0.000 1.232 110 E HN 0.964 nan 8.360 nan 0.000 0.442 111 C N 0.182 119.494 119.300 0.019 0.000 3.253 111 C HA 0.543 5.003 4.460 -0.000 0.000 0.361 111 C C -0.963 174.039 174.990 0.019 0.000 1.498 111 C CA -1.113 57.916 59.018 0.018 0.000 1.163 111 C CB -0.463 27.292 27.740 0.025 0.000 1.687 111 C HN 0.823 nan 8.230 nan 0.000 0.430 112 L N 1.633 122.868 121.223 0.019 0.000 2.421 112 L HA 0.481 4.821 4.340 -0.000 0.000 0.263 112 L C 1.851 178.735 176.870 0.022 0.000 1.122 112 L CA -0.618 54.233 54.840 0.020 0.000 0.804 112 L CB 0.613 42.683 42.059 0.017 0.000 1.150 112 L HN 0.851 nan 8.230 nan 0.000 0.457 113 R N 0.108 120.622 120.500 0.024 0.000 2.083 113 R HA -0.153 4.187 4.340 -0.000 0.000 0.237 113 R C 0.932 177.245 176.300 0.021 0.000 1.137 113 R CA 1.489 57.605 56.100 0.025 0.000 0.951 113 R CB -0.507 29.813 30.300 0.033 0.000 0.851 113 R HN 0.591 nan 8.270 nan 0.000 0.434 114 D N 0.719 121.132 120.400 0.021 0.000 2.393 114 D HA -0.124 4.516 4.640 -0.000 0.000 0.220 114 D C 0.551 176.860 176.300 0.014 0.000 0.974 114 D CA 1.127 55.137 54.000 0.017 0.000 0.931 114 D CB -0.144 40.665 40.800 0.016 0.000 0.889 114 D HN 0.283 nan 8.370 nan 0.000 0.512 115 D N -0.739 119.671 120.400 0.017 0.000 2.469 115 D HA -0.002 4.638 4.640 -0.000 0.000 0.215 115 D C 2.134 178.444 176.300 0.018 0.000 1.154 115 D CA 0.040 54.051 54.000 0.019 0.000 0.832 115 D CB 1.071 41.888 40.800 0.027 0.000 1.008 115 D HN 0.128 nan 8.370 nan 0.000 0.506 116 V N -0.805 119.116 119.914 0.011 0.000 2.407 116 V HA -0.198 3.922 4.120 -0.000 0.000 0.248 116 V C 1.683 177.769 176.094 -0.014 0.000 1.055 116 V CA 1.567 63.871 62.300 0.006 0.000 1.049 116 V CB -0.304 31.520 31.823 0.003 0.000 0.662 116 V HN -0.111 nan 8.190 nan 0.000 0.455 117 D N 0.550 120.934 120.400 -0.026 0.000 2.149 117 D HA -0.203 4.436 4.640 -0.000 0.000 0.194 117 D C 1.941 178.183 176.300 -0.096 0.000 1.001 117 D CA 2.306 56.272 54.000 -0.058 0.000 0.849 117 D CB -0.216 40.555 40.800 -0.047 0.000 0.939 117 D HN 0.653 nan 8.370 nan 0.000 0.449 118 I N -0.050 120.480 120.570 -0.067 0.000 2.617 118 I HA -0.095 4.075 4.170 -0.000 0.000 0.256 118 I C 1.977 178.059 176.117 -0.058 0.000 1.167 118 I CA 0.777 62.008 61.300 -0.115 0.000 1.469 118 I CB 0.106 38.077 38.000 -0.048 0.000 1.098 118 I HN -0.087 nan 8.210 nan 0.000 0.436 119 L N -0.623 120.643 121.223 0.073 0.000 2.209 119 L HA -0.031 4.309 4.340 -0.000 0.000 0.207 119 L C 2.374 179.293 176.870 0.081 0.000 1.094 119 L CA 0.882 55.835 54.840 0.189 0.000 0.790 119 L CB -0.444 41.691 42.059 0.126 0.000 0.932 119 L HN 0.336 nan 8.230 nan 0.000 0.447 120 M N 0.110 119.697 119.600 -0.022 0.000 2.229 120 M HA -0.204 4.276 4.480 -0.000 0.000 0.264 120 M C 2.029 178.241 176.300 -0.148 0.000 1.063 120 M CA 1.712 56.970 55.300 -0.070 0.000 1.114 120 M CB -0.214 32.334 32.600 -0.087 0.000 1.387 120 M HN 0.210 nan 8.290 nan 0.000 0.420 121 E N -0.524 119.538 120.200 -0.231 0.000 2.028 121 E HA -0.170 4.180 4.350 -0.000 0.000 0.190 121 E C 1.823 178.262 176.600 -0.269 0.000 0.984 121 E CA 1.568 57.756 56.400 -0.353 0.000 0.800 121 E CB -0.396 29.020 29.700 -0.474 0.000 0.758 121 E HN 0.617 nan 8.360 nan 0.000 0.448 122 F N 1.249 121.139 119.950 -0.100 0.000 2.091 122 F HA -0.241 4.286 4.527 -0.000 0.000 0.299 122 F C 2.503 178.258 175.800 -0.075 0.000 1.103 122 F CA 1.011 58.967 58.000 -0.074 0.000 1.228 122 F CB -0.312 38.658 39.000 -0.050 0.000 0.984 122 F HN 0.132 nan 8.300 nan 0.000 0.477 123 L N 0.138 121.442 121.223 0.135 0.000 1.978 123 L HA -0.311 4.029 4.340 -0.000 0.000 0.218 123 L C 2.355 179.201 176.870 -0.039 0.000 1.075 123 L CA 1.698 56.562 54.840 0.040 0.000 0.767 123 L CB -0.509 41.555 42.059 0.007 0.000 0.890 123 L HN 0.199 nan 8.230 nan 0.000 0.434 124 L N -0.418 120.756 121.223 -0.082 0.000 2.046 124 L HA -0.260 4.080 4.340 -0.000 0.000 0.208 124 L C 2.422 179.245 176.870 -0.079 0.000 1.077 124 L CA 1.313 56.091 54.840 -0.104 0.000 0.747 124 L CB -0.714 41.233 42.059 -0.186 0.000 0.896 124 L HN 0.399 nan 8.230 nan 0.000 0.432 125 N N -0.342 118.315 118.700 -0.073 0.000 2.120 125 N HA -0.161 4.579 4.740 -0.000 0.000 0.188 125 N C 1.878 177.363 175.510 -0.042 0.000 1.024 125 N CA 1.404 54.426 53.050 -0.046 0.000 0.852 125 N CB -0.230 38.247 38.487 -0.016 0.000 1.003 125 N HN 0.141 nan 8.380 nan 0.000 0.424 126 V N 1.533 121.432 119.914 -0.025 0.000 2.343 126 V HA -0.200 3.920 4.120 -0.000 0.000 0.247 126 V C 2.421 178.450 176.094 -0.108 0.000 1.051 126 V CA 2.216 64.491 62.300 -0.041 0.000 1.036 126 V CB -0.856 30.977 31.823 0.017 0.000 0.654 126 V HN 0.521 nan 8.190 nan 0.000 0.451 127 T N -2.470 111.983 114.554 -0.169 0.000 3.014 127 T HA -0.078 4.272 4.350 -0.000 0.000 0.263 127 T C 1.490 176.213 174.700 0.038 0.000 1.078 127 T CA 1.387 63.397 62.100 -0.150 0.000 1.135 127 T CB -0.200 68.499 68.868 -0.282 0.000 0.895 127 T HN 0.612 nan 8.240 nan 0.000 0.480 128 T N -2.102 112.447 114.554 -0.009 0.000 3.043 128 T HA 0.662 5.012 4.350 -0.000 0.000 0.272 128 T C 0.982 175.676 174.700 -0.011 0.000 0.990 128 T CA 0.062 62.174 62.100 0.020 0.000 0.897 128 T CB 0.307 69.201 68.868 0.044 0.000 1.111 128 T HN 0.381 nan 8.240 nan 0.000 0.529 129 A N 1.715 124.505 122.820 -0.050 0.000 2.610 129 A HA 0.632 4.952 4.320 -0.000 0.000 0.290 129 A C -3.023 174.478 177.584 -0.139 0.000 1.001 129 A CA -1.049 50.947 52.037 -0.067 0.000 1.004 129 A CB 0.226 19.200 19.000 -0.043 0.000 1.220 129 A HN 0.344 nan 8.150 nan 0.000 0.507 130 P HA 0.193 nan 4.420 nan 0.000 0.271 130 P C 0.381 177.362 177.300 -0.533 0.000 1.220 130 P CA 0.263 63.054 63.100 -0.514 0.000 0.768 130 P CB 0.863 32.006 31.700 -0.927 0.000 0.848 131 E N 2.411 122.369 120.200 -0.404 0.000 2.318 131 E HA 0.053 4.403 4.350 -0.000 0.000 0.193 131 E C -0.096 176.421 176.600 -0.138 0.000 0.998 131 E CA 0.022 56.313 56.400 -0.181 0.000 0.859 131 E CB -0.274 29.366 29.700 -0.101 0.000 0.812 131 E HN 0.448 nan 8.360 nan 0.000 0.492 132 F N 1.860 121.726 119.950 -0.140 0.000 2.773 132 F HA -0.262 4.265 4.527 -0.000 0.000 0.251 132 F C -0.003 175.627 175.800 -0.284 0.000 1.020 132 F CA -0.192 57.637 58.000 -0.287 0.000 0.924 132 F CB -1.305 37.337 39.000 -0.598 0.000 0.919 132 F HN -0.009 nan 8.300 nan 0.000 0.846 133 R N 1.205 121.569 120.500 -0.227 0.000 2.438 133 R HA 0.285 4.625 4.340 -0.000 0.000 0.287 133 R C 1.319 177.235 176.300 -0.640 0.000 1.077 133 R CA -0.751 55.015 56.100 -0.556 0.000 1.034 133 R CB 0.603 30.336 30.300 -0.944 0.000 0.993 133 R HN 0.407 nan 8.270 nan 0.000 0.459 134 R N 1.932 122.094 120.500 -0.564 0.000 2.196 134 R HA -0.255 4.085 4.340 -0.000 0.000 0.244 134 R C 1.748 177.937 176.300 -0.186 0.000 1.121 134 R CA 2.949 58.883 56.100 -0.276 0.000 0.930 134 R CB -0.279 29.976 30.300 -0.075 0.000 0.890 134 R HN 0.839 nan 8.270 nan 0.000 0.435 135 W N 0.119 121.436 121.300 0.027 0.000 2.595 135 W HA 0.049 4.709 4.660 -0.000 0.000 0.257 135 W C 1.085 177.616 176.519 0.020 0.000 1.267 135 W CA 0.418 57.775 57.345 0.019 0.000 1.300 135 W CB -0.202 29.268 29.460 0.016 0.000 1.120 135 W HN 0.134 nan 8.180 nan 0.000 0.618 136 E N 0.837 120.895 120.200 -0.237 0.000 2.122 136 E HA -0.096 4.254 4.350 -0.000 0.000 0.190 136 E C 2.203 178.784 176.600 -0.030 0.000 0.977 136 E CA 1.140 57.516 56.400 -0.040 0.000 0.820 136 E CB -0.169 29.473 29.700 -0.096 0.000 0.770 136 E HN 0.241 nan 8.360 nan 0.000 0.462 137 V N 1.558 121.421 119.914 -0.085 0.000 2.488 137 V HA -0.164 3.956 4.120 -0.000 0.000 0.246 137 V C 2.354 178.420 176.094 -0.046 0.000 1.046 137 V CA 1.575 63.834 62.300 -0.067 0.000 1.053 137 V CB -0.524 31.234 31.823 -0.108 0.000 0.679 137 V HN 0.247 nan 8.190 nan 0.000 0.458 138 A N 0.561 123.371 122.820 -0.016 0.000 1.883 138 A HA -0.178 4.142 4.320 -0.000 0.000 0.217 138 A C 2.433 180.025 177.584 0.015 0.000 1.186 138 A CA 2.122 54.164 52.037 0.009 0.000 0.624 138 A CB -0.936 18.097 19.000 0.055 0.000 0.822 138 A HN 0.593 nan 8.150 nan 0.000 0.444 139 A N -1.173 121.672 122.820 0.042 0.000 2.084 139 A HA -0.046 4.274 4.320 -0.000 0.000 0.221 139 A C 2.017 179.608 177.584 0.012 0.000 1.161 139 A CA 1.828 53.890 52.037 0.043 0.000 0.653 139 A CB -0.404 18.641 19.000 0.075 0.000 0.802 139 A HN 0.865 nan 8.150 nan 0.000 0.457 140 L N -1.578 119.638 121.223 -0.012 0.000 2.556 140 L HA 0.092 4.432 4.340 -0.000 0.000 0.226 140 L C 2.091 178.923 176.870 -0.063 0.000 1.089 140 L CA 0.764 55.583 54.840 -0.035 0.000 0.864 140 L CB -0.292 41.743 42.059 -0.039 0.000 1.067 140 L HN 0.317 nan 8.230 nan 0.000 0.477 141 Q N 0.675 120.437 119.800 -0.064 0.000 2.062 141 Q HA -0.209 4.131 4.340 -0.000 0.000 0.209 141 Q C -0.296 175.661 176.000 -0.072 0.000 0.996 141 Q CA 2.314 58.069 55.803 -0.080 0.000 0.859 141 Q CB -1.948 26.751 28.738 -0.066 0.000 0.920 141 Q HN 0.405 nan 8.270 nan 0.000 0.415 142 P HA -0.227 nan 4.420 nan 0.000 0.218 142 P C 1.369 178.642 177.300 -0.045 0.000 1.154 142 P CA 1.797 64.876 63.100 -0.035 0.000 0.872 142 P CB -0.148 31.540 31.700 -0.021 0.000 0.790 143 Q N -0.799 118.966 119.800 -0.058 0.000 2.291 143 Q HA -0.136 4.204 4.340 -0.000 0.000 0.206 143 Q C 1.845 177.785 176.000 -0.100 0.000 0.976 143 Q CA 1.143 56.906 55.803 -0.067 0.000 0.875 143 Q CB -0.972 27.726 28.738 -0.067 0.000 0.927 143 Q HN 0.196 nan 8.270 nan 0.000 0.450 144 L N -0.527 120.608 121.223 -0.147 0.000 2.083 144 L HA -0.192 4.148 4.340 -0.000 0.000 0.209 144 L C 2.590 179.451 176.870 -0.015 0.000 1.083 144 L CA 1.619 56.352 54.840 -0.178 0.000 0.752 144 L CB -0.379 41.574 42.059 -0.176 0.000 0.899 144 L HN 0.185 nan 8.230 nan 0.000 0.433 145 R N 0.169 120.656 120.500 -0.021 0.000 2.057 145 R HA -0.132 4.208 4.340 -0.000 0.000 0.229 145 R C 2.325 178.624 176.300 -0.002 0.000 1.136 145 R CA 1.224 57.322 56.100 -0.002 0.000 0.952 145 R CB -0.017 30.277 30.300 -0.010 0.000 0.848 145 R HN 0.144 nan 8.270 nan 0.000 0.430 146 I N 1.597 122.162 120.570 -0.009 0.000 2.208 146 I HA -0.265 3.905 4.170 -0.000 0.000 0.245 146 I C 2.017 178.136 176.117 0.003 0.000 1.097 146 I CA 1.556 62.852 61.300 -0.007 0.000 1.363 146 I CB -1.468 36.526 38.000 -0.009 0.000 1.051 146 I HN 0.255 nan 8.210 nan 0.000 0.413 147 D N 0.870 121.285 120.400 0.025 0.000 2.084 147 D HA -0.230 4.410 4.640 -0.000 0.000 0.194 147 D C 2.291 178.642 176.300 0.085 0.000 0.990 147 D CA 1.518 55.567 54.000 0.082 0.000 0.826 147 D CB 0.004 40.887 40.800 0.139 0.000 0.971 147 D HN 0.258 nan 8.370 nan 0.000 0.453 148 K N -0.224 120.232 120.400 0.094 0.000 2.057 148 K HA -0.083 4.237 4.320 -0.000 0.000 0.206 148 K C 2.032 178.504 176.600 -0.213 0.000 1.050 148 K CA 1.125 57.342 56.287 -0.117 0.000 0.935 148 K CB -0.202 32.306 32.500 0.014 0.000 0.715 148 K HN 0.111 nan 8.250 nan 0.000 0.439 149 A N 0.862 123.624 122.820 -0.096 0.000 1.873 149 A HA -0.162 4.158 4.320 -0.000 0.000 0.218 149 A C 2.241 179.769 177.584 -0.095 0.000 1.193 149 A CA 1.962 53.947 52.037 -0.086 0.000 0.629 149 A CB -0.932 18.045 19.000 -0.039 0.000 0.826 149 A HN 0.187 nan 8.150 nan 0.000 0.447 150 V N -0.533 119.340 119.914 -0.068 0.000 2.568 150 V HA -0.223 3.897 4.120 -0.000 0.000 0.253 150 V C 2.858 178.900 176.094 -0.085 0.000 1.072 150 V CA 1.964 64.233 62.300 -0.052 0.000 1.084 150 V CB -0.909 30.902 31.823 -0.020 0.000 0.676 150 V HN 0.663 nan 8.190 nan 0.000 0.469 151 A N -0.970 121.746 122.820 -0.174 0.000 1.911 151 A HA 0.072 4.392 4.320 -0.000 0.000 0.212 151 A C 1.774 179.186 177.584 -0.287 0.000 1.189 151 A CA 0.676 52.568 52.037 -0.243 0.000 0.639 151 A CB -0.318 18.403 19.000 -0.465 0.000 0.839 151 A HN 0.406 nan 8.150 nan 0.000 0.449 152 L N 0.965 121.957 121.223 -0.384 0.000 2.650 152 L HA -0.031 4.309 4.340 -0.000 0.000 0.235 152 L C 2.237 179.058 176.870 -0.081 0.000 1.149 152 L CA 1.153 55.739 54.840 -0.424 0.000 0.887 152 L CB -0.466 41.200 42.059 -0.654 0.000 1.021 152 L HN 0.708 nan 8.230 nan 0.000 0.441 153 Q N -1.653 118.117 119.800 -0.050 0.000 2.444 153 Q HA 0.041 4.381 4.340 -0.000 0.000 0.206 153 Q C -0.349 175.671 176.000 0.033 0.000 0.948 153 Q CA 0.207 56.025 55.803 0.024 0.000 0.946 153 Q CB -0.054 28.685 28.738 0.003 0.000 1.027 153 Q HN 0.413 nan 8.270 nan 0.000 0.513 154 N N 1.916 120.631 118.700 0.025 0.000 2.424 154 N HA 0.184 4.924 4.740 -0.000 0.000 0.271 154 N C -2.328 173.199 175.510 0.028 0.000 0.985 154 N CA -1.644 51.413 53.050 0.012 0.000 0.921 154 N CB 1.787 40.278 38.487 0.006 0.000 1.149 154 N HN -0.102 nan 8.380 nan 0.000 0.492 155 P HA -0.198 nan 4.420 nan 0.000 0.216 155 P C 1.065 178.305 177.300 -0.101 0.000 1.154 155 P CA 1.669 64.608 63.100 -0.269 0.000 0.865 155 P CB 0.403 31.606 31.700 -0.829 0.000 0.789 156 Q N -0.605 119.143 119.800 -0.086 0.000 2.152 156 Q HA -0.186 4.154 4.340 -0.000 0.000 0.206 156 Q C 2.212 178.265 176.000 0.088 0.000 0.985 156 Q CA 1.910 57.745 55.803 0.053 0.000 0.863 156 Q CB -1.117 27.598 28.738 -0.037 0.000 0.904 156 Q HN 0.213 nan 8.270 nan 0.000 0.422 157 A N 1.299 124.164 122.820 0.075 0.000 1.842 157 A HA -0.289 4.031 4.320 -0.000 0.000 0.217 157 A C 1.848 179.489 177.584 0.095 0.000 1.206 157 A CA 1.928 53.994 52.037 0.049 0.000 0.630 157 A CB -1.276 17.676 19.000 -0.080 0.000 0.839 157 A HN 0.567 nan 8.150 nan 0.000 0.447 158 H N -0.853 118.201 119.070 -0.027 0.000 2.319 158 H HA -0.130 4.426 4.556 -0.000 0.000 0.297 158 H C 2.204 177.547 175.328 0.026 0.000 1.097 158 H CA 1.364 57.407 56.048 -0.008 0.000 1.285 158 H CB -0.656 29.087 29.762 -0.030 0.000 1.368 158 H HN 0.300 nan 8.280 nan 0.000 0.495 159 V N 2.037 122.063 119.914 0.187 0.000 2.282 159 V HA -0.266 3.854 4.120 -0.000 0.000 0.249 159 V C 2.686 178.852 176.094 0.121 0.000 1.057 159 V CA 1.886 64.267 62.300 0.136 0.000 1.032 159 V CB -0.522 31.428 31.823 0.213 0.000 0.645 159 V HN 0.374 nan 8.190 nan 0.000 0.447 160 I N -0.568 120.090 120.570 0.146 0.000 2.546 160 I HA -0.125 4.045 4.170 -0.000 0.000 0.255 160 I C 2.569 178.857 176.117 0.285 0.000 1.163 160 I CA 1.084 62.482 61.300 0.164 0.000 1.457 160 I CB -0.568 37.556 38.000 0.206 0.000 1.092 160 I HN 0.362 nan 8.210 nan 0.000 0.434 161 E N 1.165 121.487 120.200 0.204 0.000 2.106 161 E HA -0.156 4.194 4.350 -0.000 0.000 0.192 161 E C 1.708 178.406 176.600 0.163 0.000 0.984 161 E CA 1.086 57.595 56.400 0.182 0.000 0.806 161 E CB -0.297 29.476 29.700 0.121 0.000 0.750 161 E HN 0.614 nan 8.360 nan 0.000 0.458 162 N N 0.550 119.323 118.700 0.121 0.000 2.300 162 N HA -0.037 4.703 4.740 -0.000 0.000 0.179 162 N C 1.975 177.510 175.510 0.042 0.000 1.016 162 N CA 0.006 53.101 53.050 0.074 0.000 0.876 162 N CB 0.131 38.646 38.487 0.046 0.000 0.979 162 N HN 0.036 nan 8.380 nan 0.000 0.432 163 L N 0.822 122.055 121.223 0.017 0.000 2.012 163 L HA -0.244 4.096 4.340 -0.000 0.000 0.210 163 L C 1.701 178.506 176.870 -0.109 0.000 1.073 163 L CA 1.956 56.734 54.840 -0.103 0.000 0.748 163 L CB -0.515 41.415 42.059 -0.214 0.000 0.891 163 L HN 0.338 nan 8.230 nan 0.000 0.431 164 H N -0.871 118.255 119.070 0.093 0.000 2.357 164 H HA -0.045 4.511 4.556 -0.000 0.000 0.301 164 H C 2.180 177.599 175.328 0.151 0.000 1.082 164 H CA 1.466 57.625 56.048 0.185 0.000 1.342 164 H CB -0.039 29.823 29.762 0.166 0.000 1.389 164 H HN 0.451 nan 8.280 nan 0.000 0.511 165 A N 0.471 123.407 122.820 0.193 0.000 2.067 165 A HA -0.035 4.285 4.320 -0.000 0.000 0.219 165 A C 2.359 179.975 177.584 0.053 0.000 1.158 165 A CA 1.360 53.469 52.037 0.120 0.000 0.661 165 A CB -0.677 18.374 19.000 0.086 0.000 0.801 165 A HN 0.478 nan 8.150 nan 0.000 0.452 166 A N -0.393 122.422 122.820 -0.009 0.000 1.903 166 A HA 0.388 4.708 4.320 -0.000 0.000 0.213 166 A C 2.439 179.893 177.584 -0.217 0.000 1.185 166 A CA 1.383 53.359 52.037 -0.102 0.000 0.628 166 A CB -0.879 18.046 19.000 -0.125 0.000 0.830 166 A HN 0.909 nan 8.150 nan 0.000 0.446 167 A N -1.470 121.191 122.820 -0.265 0.000 1.930 167 A HA 0.204 4.524 4.320 -0.000 0.000 0.217 167 A C 0.819 177.927 177.584 -0.792 0.000 1.175 167 A CA 0.808 52.469 52.037 -0.627 0.000 0.627 167 A CB -0.382 18.280 19.000 -0.564 0.000 0.815 167 A HN 0.512 nan 8.150 nan 0.000 0.443 168 Y N -1.760 118.470 120.300 -0.118 0.000 2.587 168 Y HA 0.531 5.081 4.550 -0.000 0.000 0.337 168 Y C 1.310 177.221 175.900 0.017 0.000 1.065 168 Y CA -0.920 57.161 58.100 -0.031 0.000 1.126 168 Y CB 1.343 39.828 38.460 0.042 0.000 1.279 168 Y HN 0.151 nan 8.280 nan 0.000 0.489 169 R N -0.617 120.004 120.500 0.202 0.000 2.437 169 R HA 0.256 4.596 4.340 -0.000 0.000 0.257 169 R C 0.141 176.491 176.300 0.084 0.000 0.927 169 R CA 0.050 56.215 56.100 0.109 0.000 1.078 169 R CB 0.341 30.651 30.300 0.017 0.000 1.161 169 R HN 0.514 nan 8.270 nan 0.000 0.529 170 N N 1.177 119.943 118.700 0.109 0.000 1.931 170 N HA 0.208 4.948 4.740 -0.000 0.000 0.220 170 N C 0.918 176.418 175.510 -0.016 0.000 1.173 170 N CA 0.873 53.948 53.050 0.042 0.000 1.066 170 N CB 0.514 39.029 38.487 0.047 0.000 1.410 170 N HN 0.114 nan 8.380 nan 0.000 0.465 171 A N 0.445 123.205 122.820 -0.100 0.000 1.984 171 A HA 0.309 4.629 4.320 -0.000 0.000 0.203 171 A C 2.152 179.570 177.584 -0.278 0.000 1.292 171 A CA 0.039 51.965 52.037 -0.186 0.000 0.782 171 A CB -0.511 18.343 19.000 -0.243 0.000 0.924 171 A HN 0.338 nan 8.150 nan 0.000 0.475 172 L N 0.054 121.025 121.223 -0.420 0.000 2.456 172 L HA -0.102 4.238 4.340 -0.000 0.000 0.224 172 L C 2.695 179.429 176.870 -0.227 0.000 1.148 172 L CA 0.746 55.254 54.840 -0.554 0.000 0.825 172 L CB -0.237 41.188 42.059 -1.058 0.000 0.937 172 L HN 0.447 nan 8.230 nan 0.000 0.450 173 A N -0.514 122.280 122.820 -0.044 0.000 2.067 173 A HA -0.060 4.260 4.320 -0.000 0.000 0.217 173 A C 0.902 178.500 177.584 0.023 0.000 1.156 173 A CA 0.166 52.267 52.037 0.106 0.000 0.683 173 A CB -0.604 18.483 19.000 0.145 0.000 0.808 173 A HN 0.453 nan 8.150 nan 0.000 0.455 174 N N 0.639 119.306 118.700 -0.055 0.000 2.407 174 N HA 0.188 4.928 4.740 -0.000 0.000 0.250 174 N C 0.010 175.466 175.510 -0.090 0.000 1.236 174 N CA 0.102 53.115 53.050 -0.062 0.000 0.879 174 N CB 0.399 38.828 38.487 -0.096 0.000 1.088 174 N HN 0.274 nan 8.380 nan 0.000 0.450 175 S N 1.620 117.281 115.700 -0.065 0.000 2.610 175 S HA 0.169 4.638 4.470 -0.000 0.000 0.273 175 S C 1.124 175.620 174.600 -0.174 0.000 1.274 175 S CA -0.797 57.359 58.200 -0.075 0.000 1.023 175 S CB 0.760 63.955 63.200 -0.008 0.000 0.962 175 S HN 0.403 nan 8.310 nan 0.000 0.523 176 L N 3.350 124.433 121.223 -0.234 0.000 2.275 176 L HA 0.199 4.538 4.340 -0.000 0.000 0.215 176 L C -0.264 176.065 176.870 -0.902 0.000 1.119 176 L CA 1.374 55.898 54.840 -0.528 0.000 0.790 176 L CB -1.104 40.563 42.059 -0.652 0.000 0.919 176 L HN 0.652 nan 8.230 nan 0.000 0.443 177 Y N -2.637 117.442 120.300 -0.369 0.000 2.487 177 Y HA 0.342 4.892 4.550 -0.000 0.000 0.337 177 Y C 0.493 176.258 175.900 -0.226 0.000 1.076 177 Y CA -1.347 56.428 58.100 -0.542 0.000 1.115 177 Y CB 0.967 39.220 38.460 -0.345 0.000 1.235 177 Y HN -0.210 nan 8.280 nan 0.000 0.468 178 C N 5.296 124.682 119.300 0.143 0.000 2.632 178 C HA 0.357 4.817 4.460 -0.000 0.000 0.415 178 C C -2.221 172.790 174.990 0.036 0.000 1.332 178 C CA -1.826 57.249 59.018 0.095 0.000 1.874 178 C CB -0.619 27.201 27.740 0.135 0.000 2.596 178 C HN 0.508 nan 8.230 nan 0.000 0.590 179 P HA 0.054 nan 4.420 nan 0.000 0.263 179 P C 0.331 177.613 177.300 -0.029 0.000 1.175 179 P CA 0.665 63.773 63.100 0.013 0.000 0.761 179 P CB 0.489 32.196 31.700 0.012 0.000 0.794 180 D N 1.538 121.978 120.400 0.066 0.000 2.149 180 D HA -0.200 4.440 4.640 -0.000 0.000 0.198 180 D C 1.560 177.894 176.300 0.056 0.000 0.990 180 D CA 1.593 55.626 54.000 0.055 0.000 0.839 180 D CB -0.785 40.061 40.800 0.078 0.000 0.948 180 D HN 0.623 nan 8.370 nan 0.000 0.460 181 Y N -0.786 119.520 120.300 0.010 0.000 2.639 181 Y HA 0.100 4.650 4.550 -0.000 0.000 0.297 181 Y C 1.513 177.414 175.900 0.002 0.000 1.151 181 Y CA 0.522 58.625 58.100 0.006 0.000 1.335 181 Y CB 0.089 38.552 38.460 0.005 0.000 0.994 181 Y HN -0.210 nan 8.280 nan 0.000 0.548 182 R N 0.806 120.948 120.500 -0.597 0.000 2.308 182 R HA 0.288 4.628 4.340 -0.000 0.000 0.202 182 R C 0.191 176.342 176.300 -0.248 0.000 0.898 182 R CA -0.117 55.649 56.100 -0.556 0.000 1.046 182 R CB 0.286 30.193 30.300 -0.655 0.000 1.026 182 R HN 0.353 nan 8.270 nan 0.000 0.512 183 I N 1.221 121.699 120.570 -0.153 0.000 2.598 183 I HA -0.044 4.126 4.170 -0.000 0.000 0.284 183 I C 1.181 177.253 176.117 -0.075 0.000 1.140 183 I CA 1.098 62.342 61.300 -0.093 0.000 1.420 183 I CB 0.511 38.481 38.000 -0.051 0.000 1.387 183 I HN 0.441 nan 8.210 nan 0.000 0.553 184 G N 5.448 114.202 108.800 -0.077 0.000 2.176 184 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.253 184 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.253 184 G C 0.784 175.649 174.900 -0.059 0.000 0.979 184 G CA 0.063 45.130 45.100 -0.056 0.000 0.641 184 G HN 0.691 nan 8.290 nan 0.000 0.530 185 K N -0.624 119.725 120.400 -0.085 0.000 2.440 185 K HA 0.364 4.684 4.320 -0.000 0.000 0.207 185 K C 0.891 177.434 176.600 -0.095 0.000 1.112 185 K CA 0.447 56.688 56.287 -0.078 0.000 1.036 185 K CB 1.690 34.145 32.500 -0.074 0.000 0.935 185 K HN 0.534 nan 8.250 nan 0.000 0.564 186 V N 2.837 122.676 119.914 -0.125 0.000 2.555 186 V HA 0.165 4.285 4.120 -0.000 0.000 0.286 186 V C -0.010 176.000 176.094 -0.140 0.000 1.044 186 V CA -0.025 62.190 62.300 -0.142 0.000 1.026 186 V CB 0.848 32.565 31.823 -0.176 0.000 0.981 186 V HN 0.335 nan 8.190 nan 0.000 0.480 187 T N 5.005 119.481 114.554 -0.129 0.000 2.934 187 T HA 0.565 4.915 4.350 -0.000 0.000 0.283 187 T C -1.541 173.046 174.700 -0.188 0.000 1.005 187 T CA -1.504 60.523 62.100 -0.122 0.000 1.041 187 T CB 1.509 70.336 68.868 -0.068 0.000 1.042 187 T HN 0.558 nan 8.240 nan 0.000 0.505 188 P HA -0.123 nan 4.420 nan 0.000 0.217 188 P C 1.857 179.028 177.300 -0.215 0.000 1.150 188 P CA 0.996 63.932 63.100 -0.273 0.000 0.832 188 P CB -0.267 31.348 31.700 -0.142 0.000 0.787 189 V N 0.427 120.326 119.914 -0.024 0.000 2.332 189 V HA -0.249 3.871 4.120 -0.000 0.000 0.248 189 V C 2.199 178.305 176.094 0.019 0.000 1.055 189 V CA 2.103 64.455 62.300 0.087 0.000 1.038 189 V CB -1.342 30.529 31.823 0.079 0.000 0.651 189 V HN 0.003 nan 8.190 nan 0.000 0.450 190 E N 0.093 120.256 120.200 -0.062 0.000 2.085 190 E HA -0.189 4.161 4.350 -0.000 0.000 0.194 190 E C 2.224 178.750 176.600 -0.123 0.000 0.994 190 E CA 1.948 58.309 56.400 -0.065 0.000 0.801 190 E CB -0.285 29.361 29.700 -0.091 0.000 0.743 190 E HN 0.667 nan 8.360 nan 0.000 0.453 191 L N 0.392 121.404 121.223 -0.352 0.000 1.994 191 L HA -0.223 4.117 4.340 -0.000 0.000 0.208 191 L C 2.544 179.225 176.870 -0.315 0.000 1.071 191 L CA 1.093 55.551 54.840 -0.638 0.000 0.745 191 L CB -0.680 40.440 42.059 -1.564 0.000 0.892 191 L HN 0.263 nan 8.230 nan 0.000 0.431 192 H N 0.475 119.498 119.070 -0.078 0.000 2.252 192 H HA -0.212 4.344 4.556 -0.000 0.000 0.292 192 H C 2.031 177.380 175.328 0.034 0.000 1.082 192 H CA 1.986 58.107 56.048 0.121 0.000 1.229 192 H CB -0.549 29.276 29.762 0.105 0.000 1.353 192 H HN 0.352 nan 8.280 nan 0.000 0.488 193 D N -0.059 120.428 120.400 0.144 0.000 2.116 193 D HA -0.194 4.446 4.640 -0.000 0.000 0.193 193 D C 2.221 178.556 176.300 0.059 0.000 0.998 193 D CA 1.081 55.123 54.000 0.070 0.000 0.836 193 D CB -0.965 39.873 40.800 0.063 0.000 0.951 193 D HN 0.398 nan 8.370 nan 0.000 0.449 194 Y N 1.313 121.605 120.300 -0.015 0.000 2.207 194 Y HA -0.259 4.291 4.550 -0.000 0.000 0.287 194 Y C 2.271 178.171 175.900 -0.000 0.000 1.156 194 Y CA 1.152 59.294 58.100 0.070 0.000 1.182 194 Y CB 0.014 38.486 38.460 0.020 0.000 0.979 194 Y HN -0.170 nan 8.280 nan 0.000 0.521 195 V N -0.125 119.734 119.914 -0.093 0.000 2.323 195 V HA -0.314 3.806 4.120 -0.000 0.000 0.244 195 V C 2.071 178.048 176.094 -0.195 0.000 1.041 195 V CA 2.185 64.245 62.300 -0.399 0.000 1.025 195 V CB -0.817 30.827 31.823 -0.298 0.000 0.656 195 V HN 0.377 nan 8.190 nan 0.000 0.451 196 Q N 0.838 120.577 119.800 -0.101 0.000 2.170 196 Q HA -0.195 4.145 4.340 -0.000 0.000 0.203 196 Q C 2.233 178.128 176.000 -0.175 0.000 0.976 196 Q CA 1.761 57.510 55.803 -0.090 0.000 0.858 196 Q CB -0.374 28.328 28.738 -0.060 0.000 0.907 196 Q HN 0.916 nan 8.270 nan 0.000 0.433 197 N N -0.529 117.987 118.700 -0.307 0.000 2.166 197 N HA -0.215 4.525 4.740 -0.000 0.000 0.186 197 N C 0.760 175.752 175.510 -0.863 0.000 1.019 197 N CA 1.570 54.238 53.050 -0.637 0.000 0.856 197 N CB -0.133 38.072 38.487 -0.470 0.000 0.993 197 N HN 0.427 nan 8.380 nan 0.000 0.426 198 H N -2.017 116.936 119.070 -0.194 0.000 3.400 198 H HA 0.285 4.841 4.556 -0.000 0.000 0.251 198 H C -0.405 174.994 175.328 0.117 0.000 1.040 198 H CA -0.471 55.487 56.048 -0.149 0.000 1.175 198 H CB 0.302 29.853 29.762 -0.350 0.000 1.487 198 H HN 0.062 nan 8.280 nan 0.000 0.505 199 F N 3.434 123.358 119.950 -0.042 0.000 2.573 199 F HA 0.292 4.819 4.527 -0.000 0.000 0.349 199 F C 0.743 176.520 175.800 -0.039 0.000 1.213 199 F CA -0.752 57.238 58.000 -0.016 0.000 1.300 199 F CB -0.693 38.309 39.000 0.003 0.000 1.661 199 F HN -0.004 nan 8.300 nan 0.000 0.616 200 T N -3.682 110.931 114.554 0.098 0.000 2.916 200 T HA 0.343 4.693 4.350 -0.000 0.000 0.292 200 T C 1.286 175.992 174.700 0.010 0.000 1.055 200 T CA -0.536 61.585 62.100 0.035 0.000 1.009 200 T CB 1.726 70.593 68.868 -0.003 0.000 1.118 200 T HN 0.048 nan 8.240 nan 0.000 0.497 201 S N 1.262 116.962 115.700 0.001 0.000 2.408 201 S HA -0.256 4.214 4.470 -0.000 0.000 0.241 201 S C 2.270 176.864 174.600 -0.010 0.000 1.080 201 S CA 1.959 60.154 58.200 -0.008 0.000 1.109 201 S CB -1.027 62.165 63.200 -0.013 0.000 0.966 201 S HN 1.053 nan 8.310 nan 0.000 0.449 202 A N 0.637 123.451 122.820 -0.010 0.000 2.206 202 A HA 0.053 4.373 4.320 -0.000 0.000 0.211 202 A C 1.813 179.395 177.584 -0.004 0.000 1.158 202 A CA 0.554 52.588 52.037 -0.006 0.000 0.761 202 A CB -0.148 18.848 19.000 -0.006 0.000 0.801 202 A HN 0.537 nan 8.150 nan 0.000 0.473 203 R N -1.790 118.704 120.500 -0.010 0.000 2.508 203 R HA 0.426 4.766 4.340 -0.000 0.000 0.300 203 R C -0.307 175.989 176.300 -0.006 0.000 0.970 203 R CA -0.116 55.976 56.100 -0.013 0.000 1.102 203 R CB 0.322 30.598 30.300 -0.039 0.000 1.246 203 R HN 0.382 nan 8.270 nan 0.000 0.539 204 M N 0.574 120.171 119.600 -0.006 0.000 2.537 204 M HA 0.582 5.062 4.480 -0.000 0.000 0.324 204 M C -0.774 175.533 176.300 0.012 0.000 1.187 204 M CA -0.630 54.666 55.300 -0.005 0.000 0.993 204 M CB 2.275 34.860 32.600 -0.024 0.000 1.666 204 M HN 0.060 nan 8.290 nan 0.000 0.461 205 A N 2.117 124.967 122.820 0.051 0.000 2.539 205 A HA 0.881 5.201 4.320 -0.000 0.000 0.296 205 A C -2.106 175.534 177.584 0.095 0.000 1.073 205 A CA -0.613 51.449 52.037 0.041 0.000 0.700 205 A CB 1.649 20.675 19.000 0.043 0.000 1.296 205 A HN 0.701 nan 8.150 nan 0.000 0.405 206 L N 2.969 124.210 121.223 0.030 0.000 2.406 206 L HA 0.638 4.978 4.340 -0.000 0.000 0.270 206 L C -1.449 175.441 176.870 0.032 0.000 0.982 206 L CA -0.347 54.521 54.840 0.046 0.000 0.843 206 L CB 1.180 43.227 42.059 -0.021 0.000 1.225 206 L HN 0.567 nan 8.230 nan 0.000 0.412 207 I N 3.952 124.601 120.570 0.131 0.000 2.412 207 I HA 0.633 4.803 4.170 -0.000 0.000 0.296 207 I C 0.611 176.772 176.117 0.074 0.000 0.987 207 I CA -0.445 60.911 61.300 0.094 0.000 1.180 207 I CB 1.510 39.608 38.000 0.162 0.000 1.340 207 I HN 0.748 nan 8.210 nan 0.000 0.455 208 G N 6.242 115.066 108.800 0.040 0.000 2.626 208 G HA2 0.601 4.561 3.960 -0.000 0.000 0.304 208 G HA3 0.601 4.561 3.960 -0.000 0.000 0.304 208 G C -1.451 173.489 174.900 0.067 0.000 1.385 208 G CA -0.285 44.838 45.100 0.039 0.000 0.957 208 G HN 0.313 nan 8.290 nan 0.000 0.504 209 L N 2.137 123.407 121.223 0.077 0.000 2.305 209 L HA 0.678 5.018 4.340 -0.000 0.000 0.284 209 L C 1.085 177.976 176.870 0.035 0.000 1.013 209 L CA 0.734 55.622 54.840 0.081 0.000 0.819 209 L CB 1.617 43.751 42.059 0.125 0.000 1.227 209 L HN 1.103 nan 8.230 nan 0.000 0.417 210 G N 2.755 111.555 108.800 -0.001 0.000 2.157 210 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.248 210 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.248 210 G C -0.025 174.872 174.900 -0.006 0.000 0.979 210 G CA 0.199 45.290 45.100 -0.014 0.000 0.650 210 G HN 0.868 nan 8.290 nan 0.000 0.529 211 V N -1.899 118.013 119.914 -0.003 0.000 3.158 211 V HA 0.982 5.102 4.120 -0.000 0.000 0.315 211 V C 0.378 176.472 176.094 0.001 0.000 1.148 211 V CA -0.134 62.166 62.300 -0.001 0.000 1.042 211 V CB 1.760 33.581 31.823 -0.003 0.000 1.101 211 V HN 1.475 nan 8.190 nan 0.000 0.448 212 S N -1.332 114.374 115.700 0.010 0.000 2.509 212 S HA 0.443 4.913 4.470 -0.000 0.000 0.297 212 S C 0.640 175.271 174.600 0.051 0.000 1.118 212 S CA -0.072 58.149 58.200 0.035 0.000 1.074 212 S CB 1.046 64.269 63.200 0.038 0.000 1.038 212 S HN 0.933 nan 8.310 nan 0.000 0.498 213 H N 2.730 121.795 119.070 -0.008 0.000 2.390 213 H HA 0.027 4.583 4.556 -0.000 0.000 0.298 213 H C -1.224 174.102 175.328 -0.003 0.000 1.106 213 H CA 2.701 58.745 56.048 -0.007 0.000 1.297 213 H CB -0.912 28.848 29.762 -0.004 0.000 1.375 213 H HN 0.551 nan 8.280 nan 0.000 0.509 214 P HA -0.132 nan 4.420 nan 0.000 0.220 214 P C 1.326 178.632 177.300 0.010 0.000 1.148 214 P CA 1.134 64.265 63.100 0.052 0.000 0.803 214 P CB 0.182 31.914 31.700 0.053 0.000 0.782 215 V N -0.584 119.329 119.914 -0.001 0.000 2.273 215 V HA -0.176 3.944 4.120 -0.000 0.000 0.242 215 V C 2.481 178.555 176.094 -0.033 0.000 1.035 215 V CA 1.320 63.614 62.300 -0.008 0.000 1.013 215 V CB -1.409 30.412 31.823 -0.004 0.000 0.652 215 V HN 0.037 nan 8.190 nan 0.000 0.452 216 L N 0.066 121.240 121.223 -0.081 0.000 1.997 216 L HA -0.316 4.024 4.340 -0.000 0.000 0.216 216 L C 2.707 179.507 176.870 -0.116 0.000 1.074 216 L CA 2.504 57.273 54.840 -0.118 0.000 0.763 216 L CB -0.610 41.319 42.059 -0.217 0.000 0.890 216 L HN 0.387 nan 8.230 nan 0.000 0.434 217 K N -0.208 120.100 120.400 -0.155 0.000 2.044 217 K HA -0.311 4.009 4.320 -0.000 0.000 0.210 217 K C 2.155 178.731 176.600 -0.039 0.000 1.049 217 K CA 2.103 58.330 56.287 -0.100 0.000 0.927 217 K CB -0.084 32.383 32.500 -0.056 0.000 0.713 217 K HN 0.139 nan 8.250 nan 0.000 0.443 218 Q N 0.240 120.031 119.800 -0.015 0.000 2.050 218 Q HA -0.132 4.207 4.340 -0.000 0.000 0.202 218 Q C 1.828 177.857 176.000 0.048 0.000 0.980 218 Q CA 2.057 57.867 55.803 0.011 0.000 0.840 218 Q CB -0.052 28.701 28.738 0.025 0.000 0.898 218 Q HN 0.226 nan 8.270 nan 0.000 0.424 219 V N 0.976 120.931 119.914 0.069 0.000 2.287 219 V HA -0.315 3.805 4.120 -0.000 0.000 0.248 219 V C 2.341 178.521 176.094 0.143 0.000 1.053 219 V CA 1.879 64.277 62.300 0.163 0.000 1.027 219 V CB -1.594 30.272 31.823 0.071 0.000 0.646 219 V HN 0.541 nan 8.190 nan 0.000 0.447 220 A N 0.171 123.013 122.820 0.036 0.000 1.851 220 A HA -0.271 4.049 4.320 -0.000 0.000 0.216 220 A C 2.202 179.781 177.584 -0.009 0.000 1.195 220 A CA 2.107 54.148 52.037 0.005 0.000 0.622 220 A CB -0.603 18.371 19.000 -0.043 0.000 0.831 220 A HN 0.646 nan 8.150 nan 0.000 0.444 221 E N -0.569 119.613 120.200 -0.031 0.000 2.150 221 E HA -0.207 4.143 4.350 -0.000 0.000 0.193 221 E C 2.291 178.820 176.600 -0.118 0.000 0.985 221 E CA 1.235 57.599 56.400 -0.059 0.000 0.814 221 E CB -0.178 29.492 29.700 -0.049 0.000 0.752 221 E HN 0.734 nan 8.360 nan 0.000 0.466 222 Q N -0.396 119.312 119.800 -0.153 0.000 2.033 222 Q HA -0.042 4.298 4.340 -0.000 0.000 0.196 222 Q C 1.648 177.263 176.000 -0.642 0.000 0.970 222 Q CA 1.139 56.685 55.803 -0.428 0.000 0.828 222 Q CB 0.081 28.514 28.738 -0.508 0.000 0.895 222 Q HN 0.274 nan 8.270 nan 0.000 0.440 223 F N -0.627 119.299 119.950 -0.039 0.000 2.714 223 F HA 0.151 4.678 4.527 -0.000 0.000 0.294 223 F C 1.307 177.084 175.800 -0.039 0.000 1.120 223 F CA 0.348 58.324 58.000 -0.040 0.000 1.398 223 F CB 0.569 39.542 39.000 -0.045 0.000 1.120 223 F HN -0.071 nan 8.300 nan 0.000 0.589 224 L N 0.006 121.271 121.223 0.071 0.000 3.017 224 L HA 0.216 4.556 4.340 -0.000 0.000 0.255 224 L C -0.097 176.772 176.870 -0.002 0.000 1.247 224 L CA -0.120 54.742 54.840 0.036 0.000 1.038 224 L CB -0.330 41.743 42.059 0.024 0.000 1.380 224 L HN -0.050 nan 8.230 nan 0.000 0.548 225 N N 1.848 120.534 118.700 -0.024 0.000 2.868 225 N HA 0.248 4.988 4.740 -0.000 0.000 0.252 225 N C -0.861 174.634 175.510 -0.024 0.000 1.130 225 N CA -0.084 52.947 53.050 -0.032 0.000 1.026 225 N CB 0.319 38.775 38.487 -0.052 0.000 1.335 225 N HN 0.024 nan 8.380 nan 0.000 0.516 226 I N 1.966 122.529 120.570 -0.011 0.000 2.436 226 I HA 0.532 4.702 4.170 -0.000 0.000 0.289 226 I C -0.131 175.979 176.117 -0.011 0.000 1.010 226 I CA -0.675 60.622 61.300 -0.005 0.000 1.098 226 I CB 1.314 39.324 38.000 0.016 0.000 1.266 226 I HN 0.359 nan 8.210 nan 0.000 0.434 227 R N 3.541 124.030 120.500 -0.018 0.000 2.572 227 R HA 0.562 4.902 4.340 -0.000 0.000 0.273 227 R C -0.308 175.974 176.300 -0.030 0.000 1.168 227 R CA -0.331 55.755 56.100 -0.023 0.000 1.021 227 R CB 1.770 32.057 30.300 -0.021 0.000 1.249 227 R HN 0.904 nan 8.270 nan 0.000 0.423 228 G N 1.302 110.079 108.800 -0.039 0.000 4.706 228 G HA2 0.094 4.054 3.960 -0.000 0.000 0.223 228 G HA3 0.094 4.054 3.960 -0.000 0.000 0.223 228 G C 0.062 174.921 174.900 -0.069 0.000 0.812 228 G CA 0.112 45.184 45.100 -0.046 0.000 1.222 228 G HN 0.760 nan 8.290 nan 0.000 0.732 229 G N -0.101 108.647 108.800 -0.087 0.000 2.882 229 G HA2 0.683 4.643 3.960 -0.000 0.000 0.164 229 G HA3 0.683 4.643 3.960 -0.000 0.000 0.164 229 G C 0.408 175.232 174.900 -0.126 0.000 1.429 229 G CA -0.661 44.351 45.100 -0.146 0.000 1.059 229 G HN 0.313 nan 8.290 nan 0.000 0.581 230 L N -1.100 120.030 121.223 -0.155 0.000 2.657 230 L HA 0.596 4.936 4.340 -0.000 0.000 0.240 230 L C 1.852 178.692 176.870 -0.051 0.000 1.151 230 L CA 0.262 55.051 54.840 -0.086 0.000 0.831 230 L CB 1.125 43.142 42.059 -0.070 0.000 1.539 230 L HN 0.603 nan 8.230 nan 0.000 0.511 231 G N -0.978 107.813 108.800 -0.015 0.000 2.881 231 G HA2 0.235 4.195 3.960 -0.000 0.000 0.198 231 G HA3 0.235 4.195 3.960 -0.000 0.000 0.198 231 G C 0.210 175.122 174.900 0.019 0.000 1.081 231 G CA -0.066 45.033 45.100 -0.001 0.000 0.787 231 G HN 0.099 nan 8.290 nan 0.000 0.622 232 L N 1.215 122.466 121.223 0.047 0.000 2.454 232 L HA 0.481 4.821 4.340 -0.000 0.000 0.256 232 L C 0.645 177.593 176.870 0.131 0.000 1.136 232 L CA -0.294 54.593 54.840 0.077 0.000 0.804 232 L CB 0.538 42.646 42.059 0.082 0.000 1.181 232 L HN -0.082 nan 8.230 nan 0.000 0.469 233 S N 0.260 116.050 115.700 0.151 0.000 2.815 233 S HA 0.530 5.000 4.470 -0.000 0.000 0.254 233 S C 0.502 175.247 174.600 0.242 0.000 1.197 233 S CA -0.012 58.333 58.200 0.243 0.000 1.216 233 S CB -0.458 62.845 63.200 0.171 0.000 0.871 233 S HN 0.941 nan 8.310 nan 0.000 0.473 234 G N -0.376 108.583 108.800 0.264 0.000 2.340 234 G HA2 0.471 4.430 3.960 -0.000 0.000 0.298 234 G HA3 0.471 4.430 3.960 -0.000 0.000 0.298 234 G C -0.111 174.860 174.900 0.118 0.000 1.498 234 G CA -0.185 45.005 45.100 0.151 0.000 0.847 234 G HN 0.148 nan 8.290 nan 0.000 0.594 235 A N -0.295 122.559 122.820 0.057 0.000 2.197 235 A HA 0.711 5.030 4.320 -0.000 0.000 0.210 235 A C 0.951 178.557 177.584 0.037 0.000 1.180 235 A CA 1.566 53.633 52.037 0.050 0.000 0.846 235 A CB -0.280 18.736 19.000 0.027 0.000 0.884 235 A HN 1.963 nan 8.150 nan 0.000 0.487 236 K N -1.059 119.355 120.400 0.024 0.000 6.165 236 K HA -0.050 4.270 4.320 -0.000 0.000 0.850 236 K C -0.255 176.369 176.600 0.039 0.000 2.178 236 K CA 0.449 56.757 56.287 0.036 0.000 1.624 236 K CB -1.415 31.118 32.500 0.055 0.000 2.431 236 K HN 1.050 nan 8.250 nan 0.000 0.245 237 A N 5.399 128.237 122.820 0.030 0.000 2.492 237 A HA 0.207 4.527 4.320 -0.000 0.000 0.254 237 A C -0.113 177.599 177.584 0.214 0.000 1.091 237 A CA 0.219 52.294 52.037 0.062 0.000 0.768 237 A CB 0.291 19.241 19.000 -0.083 0.000 1.028 237 A HN 0.482 nan 8.150 nan 0.000 0.498 238 K N 2.323 122.855 120.400 0.220 0.000 2.276 238 K HA 0.206 4.526 4.320 -0.000 0.000 0.285 238 K C -0.747 176.067 176.600 0.357 0.000 1.062 238 K CA -0.059 56.365 56.287 0.227 0.000 0.918 238 K CB 0.991 33.559 32.500 0.114 0.000 1.055 238 K HN 0.737 nan 8.250 nan 0.000 0.477 239 Y N 1.626 122.046 120.300 0.199 0.000 2.314 239 Y HA -0.063 4.487 4.550 -0.000 0.000 0.334 239 Y C 1.154 177.106 175.900 0.087 0.000 1.266 239 Y CA 0.909 59.029 58.100 0.033 0.000 1.391 239 Y CB 0.658 39.093 38.460 -0.043 0.000 1.306 239 Y HN 0.765 nan 8.280 nan 0.000 0.558 240 H N 1.228 119.921 119.070 -0.629 0.000 1.719 240 H HA 0.379 4.935 4.556 -0.000 0.000 0.154 240 H C 0.154 175.228 175.328 -0.424 0.000 1.014 240 H CA 0.721 56.569 56.048 -0.333 0.000 1.028 240 H CB 0.656 30.264 29.762 -0.256 0.000 0.866 240 H HN 0.954 nan 8.280 nan 0.000 0.314 241 G N -0.409 107.868 108.800 -0.872 0.000 2.498 241 G HA2 0.455 4.415 3.960 -0.000 0.000 0.651 241 G HA3 0.455 4.415 3.960 -0.000 0.000 0.651 241 G C 0.248 174.770 174.900 -0.629 0.000 1.284 241 G CA 0.438 45.164 45.100 -0.624 0.000 0.950 241 G HN 1.542 nan 8.290 nan 0.000 0.511 242 G N -1.147 107.421 108.800 -0.387 0.000 2.408 242 G HA2 0.608 4.568 3.960 -0.000 0.000 0.682 242 G HA3 0.608 4.568 3.960 -0.000 0.000 0.682 242 G C -0.714 174.070 174.900 -0.195 0.000 1.303 242 G CA 0.705 45.626 45.100 -0.299 0.000 0.966 242 G HN 2.737 nan 8.290 nan 0.000 0.560 243 E N -0.631 119.493 120.200 -0.126 0.000 2.352 243 E HA 0.624 4.974 4.350 -0.000 0.000 0.280 243 E C -1.623 174.933 176.600 -0.074 0.000 0.930 243 E CA -0.919 55.419 56.400 -0.102 0.000 0.765 243 E CB 1.741 31.390 29.700 -0.086 0.000 1.219 243 E HN 0.820 nan 8.360 nan 0.000 0.434 244 I N 2.310 122.831 120.570 -0.082 0.000 2.474 244 I HA 0.472 4.642 4.170 -0.000 0.000 0.294 244 I C -0.115 175.954 176.117 -0.080 0.000 1.005 244 I CA -0.931 60.334 61.300 -0.059 0.000 1.113 244 I CB 1.793 39.771 38.000 -0.036 0.000 1.289 244 I HN 0.345 nan 8.210 nan 0.000 0.436 245 R N 4.481 124.934 120.500 -0.077 0.000 2.513 245 R HA 0.408 4.748 4.340 -0.000 0.000 0.301 245 R C -0.968 175.288 176.300 -0.072 0.000 0.968 245 R CA -0.724 55.311 56.100 -0.107 0.000 0.872 245 R CB 2.539 32.739 30.300 -0.166 0.000 1.177 245 R HN 0.534 nan 8.270 nan 0.000 0.444 246 E N 2.455 122.611 120.200 -0.074 0.000 2.114 246 E HA 0.085 4.435 4.350 -0.000 0.000 0.266 246 E C -0.748 175.814 176.600 -0.063 0.000 0.896 246 E CA -0.648 55.717 56.400 -0.059 0.000 0.750 246 E CB 1.124 30.787 29.700 -0.062 0.000 1.121 246 E HN 0.225 nan 8.360 nan 0.000 0.413 247 Q N 2.634 122.406 119.800 -0.047 0.000 2.313 247 Q HA 0.121 4.461 4.340 -0.000 0.000 0.266 247 Q C -0.472 175.507 176.000 -0.036 0.000 0.989 247 Q CA 0.667 56.447 55.803 -0.038 0.000 0.890 247 Q CB 1.313 30.037 28.738 -0.024 0.000 1.200 247 Q HN 0.766 nan 8.270 nan 0.000 0.396 248 N N 0.596 119.276 118.700 -0.035 0.000 2.690 248 N HA 0.107 4.846 4.740 -0.000 0.000 0.262 248 N C -0.414 175.082 175.510 -0.024 0.000 0.936 248 N CA 0.482 53.509 53.050 -0.039 0.000 0.990 248 N CB 0.685 39.138 38.487 -0.056 0.000 1.677 248 N HN 0.705 nan 8.380 nan 0.000 0.826 249 G N 1.816 110.606 108.800 -0.018 0.000 2.689 249 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.273 249 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.273 249 G C -0.965 173.931 174.900 -0.007 0.000 1.062 249 G CA 0.287 45.382 45.100 -0.008 0.000 1.279 249 G HN 0.487 nan 8.290 nan 0.000 0.547 250 D N 0.083 120.483 120.400 -0.001 0.000 2.540 250 D HA 0.364 5.004 4.640 -0.000 0.000 0.229 250 D C 1.404 177.718 176.300 0.024 0.000 1.250 250 D CA 1.186 55.193 54.000 0.012 0.000 0.817 250 D CB 0.503 41.312 40.800 0.015 0.000 1.060 250 D HN 0.790 nan 8.370 nan 0.000 0.508 251 S N -0.741 114.966 115.700 0.012 0.000 2.083 251 S HA -0.249 4.221 4.470 -0.000 0.000 0.220 251 S C 0.209 174.812 174.600 0.006 0.000 1.119 251 S CA 1.062 59.267 58.200 0.008 0.000 1.692 251 S CB -1.078 62.128 63.200 0.011 0.000 2.260 251 S HN 0.351 nan 8.310 nan 0.000 0.584 252 L N 2.073 123.307 121.223 0.019 0.000 2.307 252 L HA 0.639 4.979 4.340 -0.000 0.000 0.284 252 L C -0.200 176.674 176.870 0.008 0.000 1.023 252 L CA -0.843 53.998 54.840 0.000 0.000 0.810 252 L CB 1.803 43.868 42.059 0.011 0.000 1.231 252 L HN 0.098 nan 8.230 nan 0.000 0.423 253 V N 2.860 122.746 119.914 -0.046 0.000 2.407 253 V HA 0.283 4.403 4.120 -0.000 0.000 0.278 253 V C 0.020 176.045 176.094 -0.116 0.000 1.037 253 V CA -0.548 61.726 62.300 -0.043 0.000 0.900 253 V CB 1.145 32.933 31.823 -0.059 0.000 0.983 253 V HN 0.565 nan 8.190 nan 0.000 0.459 254 H N 3.267 122.265 119.070 -0.121 0.000 2.473 254 H HA 0.761 5.317 4.556 -0.000 0.000 0.327 254 H C -0.097 175.049 175.328 -0.303 0.000 1.105 254 H CA -0.100 55.821 56.048 -0.211 0.000 1.280 254 H CB 2.066 31.765 29.762 -0.105 0.000 1.450 254 H HN 0.776 nan 8.280 nan 0.000 0.492 255 A N 1.997 124.569 122.820 -0.414 0.000 2.547 255 A HA 0.690 5.010 4.320 -0.000 0.000 0.297 255 A C -1.400 175.890 177.584 -0.489 0.000 1.056 255 A CA -0.349 51.485 52.037 -0.339 0.000 0.688 255 A CB 1.608 20.483 19.000 -0.210 0.000 1.282 255 A HN 0.719 nan 8.150 nan 0.000 0.400 256 A N 1.777 124.404 122.820 -0.321 0.000 2.374 256 A HA 0.755 5.075 4.320 -0.000 0.000 0.305 256 A C -1.219 176.200 177.584 -0.276 0.000 1.053 256 A CA -0.407 51.471 52.037 -0.263 0.000 0.726 256 A CB 1.227 20.139 19.000 -0.147 0.000 1.229 256 A HN 1.427 nan 8.150 nan 0.000 0.431 257 L N 3.273 124.267 121.223 -0.381 0.000 2.365 257 L HA 0.907 5.247 4.340 -0.000 0.000 0.273 257 L C -1.590 175.046 176.870 -0.390 0.000 1.000 257 L CA -0.580 54.020 54.840 -0.401 0.000 0.819 257 L CB 1.743 43.490 42.059 -0.519 0.000 1.284 257 L HN 0.611 nan 8.230 nan 0.000 0.418 258 V N 2.710 122.502 119.914 -0.203 0.000 3.225 258 V HA 0.792 4.912 4.120 -0.000 0.000 0.293 258 V C -0.900 175.215 176.094 0.036 0.000 1.405 258 V CA -0.432 61.863 62.300 -0.009 0.000 1.038 258 V CB 2.239 34.039 31.823 -0.038 0.000 1.123 258 V HN 0.990 nan 8.190 nan 0.000 0.447 259 A N 1.528 124.438 122.820 0.150 0.000 2.430 259 A HA 0.814 5.134 4.320 -0.000 0.000 0.300 259 A C -0.541 177.009 177.584 -0.056 0.000 1.124 259 A CA -0.598 51.453 52.037 0.024 0.000 0.766 259 A CB 1.557 20.524 19.000 -0.055 0.000 1.328 259 A HN 0.871 nan 8.150 nan 0.000 0.424 260 E N 0.490 120.417 120.200 -0.456 0.000 2.415 260 E HA 0.284 4.634 4.350 -0.000 0.000 0.263 260 E C 0.689 177.125 176.600 -0.274 0.000 0.995 260 E CA 0.463 56.525 56.400 -0.564 0.000 0.915 260 E CB 0.472 29.517 29.700 -1.091 0.000 0.951 260 E HN 0.722 nan 8.360 nan 0.000 0.449 261 S N 3.518 119.044 115.700 -0.289 0.000 4.089 261 S HA 0.718 5.188 4.470 -0.000 0.000 0.191 261 S C -0.072 174.347 174.600 -0.302 0.000 0.964 261 S CA -0.245 57.604 58.200 -0.585 0.000 1.612 261 S CB 0.351 62.723 63.200 -1.380 0.000 0.736 261 S HN 0.579 nan 8.310 nan 0.000 0.773 262 A N 0.175 122.805 122.820 -0.316 0.000 2.435 262 A HA 0.866 5.186 4.320 -0.000 0.000 0.304 262 A C -0.162 177.391 177.584 -0.052 0.000 1.064 262 A CA -0.543 51.461 52.037 -0.054 0.000 0.727 262 A CB 1.045 20.096 19.000 0.084 0.000 1.284 262 A HN 1.258 nan 8.150 nan 0.000 0.415 263 A N 1.342 124.164 122.820 0.002 0.000 2.425 263 A HA 0.512 4.832 4.320 -0.000 0.000 0.242 263 A C 0.466 178.051 177.584 0.002 0.000 1.077 263 A CA -0.201 51.845 52.037 0.014 0.000 0.781 263 A CB 0.006 19.032 19.000 0.043 0.000 1.020 263 A HN 1.013 nan 8.150 nan 0.000 0.494 264 I N 0.858 121.427 120.570 -0.000 0.000 2.754 264 I HA 0.342 4.512 4.170 -0.000 0.000 0.285 264 I C 1.434 177.550 176.117 -0.001 0.000 1.166 264 I CA 1.894 63.188 61.300 -0.010 0.000 1.417 264 I CB 0.673 38.665 38.000 -0.012 0.000 1.382 264 I HN 1.132 nan 8.210 nan 0.000 0.588 265 G N 4.477 113.268 108.800 -0.015 0.000 4.677 265 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.215 265 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.215 265 G C 0.381 175.270 174.900 -0.019 0.000 1.506 265 G CA 0.196 45.283 45.100 -0.021 0.000 1.016 265 G HN 1.183 nan 8.290 nan 0.000 0.653 266 S N 1.712 117.410 115.700 -0.003 0.000 2.546 266 S HA 0.309 4.779 4.470 -0.000 0.000 0.298 266 S C 1.772 176.372 174.600 -0.000 0.000 1.277 266 S CA 1.342 59.544 58.200 0.003 0.000 1.033 266 S CB 0.840 64.051 63.200 0.018 0.000 0.760 266 S HN 2.192 nan 8.310 nan 0.000 0.488 267 A N 1.805 124.624 122.820 -0.002 0.000 1.873 267 A HA -0.067 4.253 4.320 -0.000 0.000 0.215 267 A C 2.189 179.776 177.584 0.004 0.000 1.186 267 A CA 1.619 53.650 52.037 -0.010 0.000 0.616 267 A CB -1.248 17.743 19.000 -0.016 0.000 0.823 267 A HN 1.047 nan 8.150 nan 0.000 0.442 268 E N -0.076 120.140 120.200 0.026 0.000 2.130 268 E HA -0.199 4.151 4.350 -0.000 0.000 0.196 268 E C 1.832 178.517 176.600 0.141 0.000 0.998 268 E CA 1.127 57.564 56.400 0.062 0.000 0.806 268 E CB -0.243 29.518 29.700 0.101 0.000 0.738 268 E HN 0.559 nan 8.360 nan 0.000 0.459 269 A N 0.100 122.990 122.820 0.116 0.000 2.239 269 A HA -0.077 4.243 4.320 -0.000 0.000 0.209 269 A C 1.252 178.888 177.584 0.087 0.000 1.171 269 A CA 1.009 53.120 52.037 0.125 0.000 0.768 269 A CB -0.335 18.689 19.000 0.039 0.000 0.790 269 A HN 0.313 nan 8.150 nan 0.000 0.478 270 N N -0.724 118.000 118.700 0.039 0.000 2.322 270 N HA 0.243 4.983 4.740 -0.000 0.000 0.181 270 N C 1.615 177.118 175.510 -0.011 0.000 1.088 270 N CA 0.667 53.718 53.050 0.003 0.000 0.885 270 N CB 0.070 38.535 38.487 -0.035 0.000 1.013 270 N HN 0.361 nan 8.380 nan 0.000 0.472 271 A N 0.230 123.030 122.820 -0.034 0.000 1.897 271 A HA 0.006 4.326 4.320 -0.000 0.000 0.215 271 A C 1.576 179.046 177.584 -0.191 0.000 1.181 271 A CA 0.936 52.893 52.037 -0.133 0.000 0.620 271 A CB -0.663 18.214 19.000 -0.206 0.000 0.821 271 A HN 0.169 nan 8.150 nan 0.000 0.443 272 F N 0.031 119.884 119.950 -0.161 0.000 2.146 272 F HA -0.094 4.433 4.527 -0.000 0.000 0.298 272 F C 2.918 178.642 175.800 -0.127 0.000 1.096 272 F CA 1.571 59.406 58.000 -0.275 0.000 1.275 272 F CB -0.450 38.379 39.000 -0.286 0.000 1.008 272 F HN 0.193 nan 8.300 nan 0.000 0.480 273 S N -0.453 115.340 115.700 0.154 0.000 2.383 273 S HA -0.151 4.319 4.470 -0.000 0.000 0.229 273 S C 2.261 176.969 174.600 0.179 0.000 1.030 273 S CA 1.110 59.403 58.200 0.156 0.000 1.002 273 S CB -0.446 62.810 63.200 0.093 0.000 0.829 273 S HN 0.107 nan 8.310 nan 0.000 0.467 274 V N 1.767 121.730 119.914 0.082 0.000 2.358 274 V HA -0.117 4.002 4.120 -0.000 0.000 0.246 274 V C 2.284 178.440 176.094 0.104 0.000 1.047 274 V CA 1.582 63.924 62.300 0.070 0.000 1.035 274 V CB -0.581 31.239 31.823 -0.005 0.000 0.658 274 V HN 0.421 nan 8.190 nan 0.000 0.452 275 L N 0.344 121.583 121.223 0.027 0.000 1.971 275 L HA -0.272 4.068 4.340 -0.000 0.000 0.215 275 L C 2.550 179.548 176.870 0.213 0.000 1.072 275 L CA 2.603 57.466 54.840 0.038 0.000 0.758 275 L CB -1.215 40.733 42.059 -0.184 0.000 0.889 275 L HN 0.496 nan 8.230 nan 0.000 0.433 276 Q N -1.235 118.768 119.800 0.338 0.000 2.118 276 Q HA -0.332 4.008 4.340 -0.000 0.000 0.211 276 Q C 2.083 178.143 176.000 0.100 0.000 0.998 276 Q CA 2.567 58.555 55.803 0.308 0.000 0.872 276 Q CB -0.305 28.584 28.738 0.252 0.000 0.925 276 Q HN 0.729 nan 8.270 nan 0.000 0.414 277 H N -1.142 118.003 119.070 0.126 0.000 2.524 277 H HA -0.006 4.550 4.556 -0.000 0.000 0.282 277 H C 1.833 177.196 175.328 0.059 0.000 1.016 277 H CA 0.993 57.092 56.048 0.083 0.000 1.270 277 H CB 0.364 30.171 29.762 0.074 0.000 1.394 277 H HN 0.074 nan 8.280 nan 0.000 0.568 278 V N 0.255 120.264 119.914 0.158 0.000 2.256 278 V HA -0.191 3.929 4.120 -0.000 0.000 0.240 278 V C 2.281 178.425 176.094 0.083 0.000 1.036 278 V CA 1.420 63.779 62.300 0.098 0.000 1.008 278 V CB -0.590 31.276 31.823 0.073 0.000 0.648 278 V HN 0.334 nan 8.190 nan 0.000 0.453 279 L N 0.417 121.703 121.223 0.104 0.000 2.089 279 L HA 0.035 4.375 4.340 -0.000 0.000 0.213 279 L C 1.117 178.021 176.870 0.057 0.000 1.079 279 L CA 1.405 56.297 54.840 0.087 0.000 0.758 279 L CB -0.997 41.141 42.059 0.131 0.000 0.891 279 L HN 0.638 nan 8.230 nan 0.000 0.433 280 G N -1.801 107.022 108.800 0.038 0.000 3.055 280 G HA2 0.235 4.195 3.960 -0.000 0.000 0.685 280 G HA3 0.235 4.195 3.960 -0.000 0.000 0.685 280 G C -0.516 174.360 174.900 -0.040 0.000 1.212 280 G CA -0.464 44.630 45.100 -0.010 0.000 0.822 280 G HN 0.347 nan 8.290 nan 0.000 0.610 281 A N 1.611 124.362 122.820 -0.114 0.000 3.596 281 A HA 1.040 5.360 4.320 -0.000 0.000 0.189 281 A C 1.526 179.102 177.584 -0.015 0.000 1.478 281 A CA 0.824 52.804 52.037 -0.095 0.000 1.680 281 A CB -0.248 18.618 19.000 -0.222 0.000 1.562 281 A HN 2.440 nan 8.150 nan 0.000 0.575 282 G N -0.454 108.367 108.800 0.035 0.000 2.683 282 G HA2 0.483 4.443 3.960 -0.000 0.000 0.260 282 G HA3 0.483 4.443 3.960 -0.000 0.000 0.260 282 G C -2.529 172.427 174.900 0.094 0.000 1.238 282 G CA -0.611 44.535 45.100 0.077 0.000 0.934 282 G HN 0.480 nan 8.290 nan 0.000 0.534 283 P HA 0.372 nan 4.420 nan 0.000 0.279 283 P C -0.502 176.972 177.300 0.290 0.000 1.252 283 P CA -0.417 62.721 63.100 0.063 0.000 0.811 283 P CB 1.126 32.820 31.700 -0.010 0.000 1.035 284 H N -1.423 117.631 119.070 -0.027 0.000 3.170 284 H HA 0.332 4.888 4.556 -0.000 0.000 0.264 284 H C -0.325 174.994 175.328 -0.015 0.000 1.113 284 H CA 0.193 56.237 56.048 -0.008 0.000 1.194 284 H CB 0.464 30.230 29.762 0.007 0.000 1.553 284 H HN -0.018 nan 8.280 nan 0.000 0.538 285 V N 1.086 121.053 119.914 0.088 0.000 2.569 285 V HA 0.163 4.283 4.120 -0.000 0.000 0.301 285 V C 0.081 176.177 176.094 0.004 0.000 1.044 285 V CA -1.516 60.805 62.300 0.035 0.000 0.874 285 V CB 2.565 34.400 31.823 0.021 0.000 1.002 285 V HN 0.052 nan 8.190 nan 0.000 0.424 286 K N 4.930 125.331 120.400 0.002 0.000 2.405 286 K HA 0.083 4.403 4.320 -0.000 0.000 0.273 286 K C 0.196 176.785 176.600 -0.018 0.000 1.116 286 K CA 0.309 56.591 56.287 -0.007 0.000 1.155 286 K CB -0.129 32.368 32.500 -0.004 0.000 0.858 286 K HN 0.690 nan 8.250 nan 0.000 0.477 287 R N 1.111 121.592 120.500 -0.032 0.000 2.690 287 R HA -0.168 4.172 4.340 -0.000 0.000 0.306 287 R C -0.126 176.139 176.300 -0.058 0.000 0.979 287 R CA 0.348 56.420 56.100 -0.046 0.000 0.761 287 R CB -2.075 28.208 30.300 -0.028 0.000 2.077 287 R HN 0.771 nan 8.270 nan 0.000 0.486 288 G N -0.170 108.571 108.800 -0.098 0.000 2.569 288 G HA2 0.476 4.436 3.960 -0.000 0.000 0.300 288 G HA3 0.476 4.436 3.960 -0.000 0.000 0.300 288 G C 0.597 175.390 174.900 -0.179 0.000 1.269 288 G CA -0.563 44.473 45.100 -0.107 0.000 0.959 288 G HN 0.171 nan 8.290 nan 0.000 0.478 289 S N -0.254 115.367 115.700 -0.131 0.000 2.453 289 S HA -0.047 4.423 4.470 -0.000 0.000 0.231 289 S C 0.867 175.323 174.600 -0.239 0.000 1.005 289 S CA 0.614 58.736 58.200 -0.129 0.000 0.949 289 S CB -0.387 62.797 63.200 -0.026 0.000 0.774 289 S HN 0.839 nan 8.310 nan 0.000 0.510 290 N N 0.499 119.067 118.700 -0.220 0.000 2.814 290 N HA -0.185 4.555 4.740 -0.000 0.000 0.247 290 N C 0.766 176.218 175.510 -0.096 0.000 1.089 290 N CA 0.109 53.029 53.050 -0.216 0.000 0.682 290 N CB -1.404 36.853 38.487 -0.384 0.000 0.970 290 N HN 0.440 nan 8.380 nan 0.000 0.554 291 A N 0.463 123.248 122.820 -0.057 0.000 1.896 291 A HA -0.271 4.049 4.320 -0.000 0.000 0.220 291 A C 2.071 179.649 177.584 -0.010 0.000 1.206 291 A CA 2.329 54.357 52.037 -0.014 0.000 0.647 291 A CB -0.935 18.059 19.000 -0.011 0.000 0.828 291 A HN 0.583 nan 8.150 nan 0.000 0.455 292 T N -0.532 114.002 114.554 -0.032 0.000 3.584 292 T HA 0.250 4.600 4.350 -0.000 0.000 0.252 292 T C 0.492 175.180 174.700 -0.021 0.000 1.103 292 T CA 0.724 62.809 62.100 -0.025 0.000 0.977 292 T CB -0.625 68.221 68.868 -0.038 0.000 1.044 292 T HN 0.406 nan 8.240 nan 0.000 0.589 293 S N 0.437 116.136 115.700 -0.002 0.000 2.528 293 S HA 0.366 4.836 4.470 -0.000 0.000 0.303 293 S C 1.338 175.978 174.600 0.066 0.000 1.123 293 S CA -0.716 57.500 58.200 0.028 0.000 1.138 293 S CB 0.729 63.952 63.200 0.037 0.000 0.984 293 S HN 0.209 nan 8.310 nan 0.000 0.474 294 S N 4.369 120.097 115.700 0.046 0.000 2.381 294 S HA -0.157 4.313 4.470 -0.000 0.000 0.230 294 S C 1.712 176.332 174.600 0.033 0.000 1.052 294 S CA 1.975 60.198 58.200 0.038 0.000 1.068 294 S CB -0.491 62.729 63.200 0.033 0.000 0.918 294 S HN 0.793 nan 8.310 nan 0.000 0.448 295 L N -1.163 120.082 121.223 0.037 0.000 2.023 295 L HA -0.086 4.254 4.340 -0.000 0.000 0.205 295 L C 2.254 179.161 176.870 0.062 0.000 1.073 295 L CA 1.593 56.430 54.840 -0.004 0.000 0.745 295 L CB -0.626 41.415 42.059 -0.029 0.000 0.900 295 L HN 0.328 nan 8.230 nan 0.000 0.435 296 Y N 0.512 120.847 120.300 0.058 0.000 2.274 296 Y HA -0.250 4.300 4.550 -0.000 0.000 0.290 296 Y C 2.804 178.794 175.900 0.151 0.000 1.145 296 Y CA 1.329 59.535 58.100 0.178 0.000 1.203 296 Y CB 0.171 38.699 38.460 0.112 0.000 0.984 296 Y HN 0.220 nan 8.280 nan 0.000 0.533 297 Q N -0.801 119.135 119.800 0.227 0.000 2.163 297 Q HA -0.001 4.339 4.340 -0.000 0.000 0.198 297 Q C 2.469 178.485 176.000 0.026 0.000 0.954 297 Q CA 1.087 56.973 55.803 0.138 0.000 0.851 297 Q CB -0.576 28.220 28.738 0.098 0.000 0.928 297 Q HN 0.527 nan 8.270 nan 0.000 0.459 298 A N 0.299 123.111 122.820 -0.015 0.000 2.121 298 A HA -0.049 4.271 4.320 -0.000 0.000 0.218 298 A C 2.255 179.733 177.584 -0.176 0.000 1.154 298 A CA 0.959 52.948 52.037 -0.081 0.000 0.679 298 A CB -0.186 18.765 19.000 -0.081 0.000 0.795 298 A HN 0.175 nan 8.150 nan 0.000 0.458 299 V N -0.895 118.865 119.914 -0.258 0.000 2.426 299 V HA -0.051 4.069 4.120 -0.000 0.000 0.242 299 V C 2.972 178.733 176.094 -0.555 0.000 1.036 299 V CA 1.369 63.350 62.300 -0.531 0.000 1.044 299 V CB -0.825 30.443 31.823 -0.924 0.000 0.688 299 V HN 0.550 nan 8.190 nan 0.000 0.462 300 A N 0.175 122.788 122.820 -0.345 0.000 1.892 300 A HA -0.322 3.998 4.320 -0.000 0.000 0.218 300 A C 2.238 179.703 177.584 -0.198 0.000 1.188 300 A CA 2.498 54.437 52.037 -0.163 0.000 0.631 300 A CB -0.612 18.448 19.000 0.100 0.000 0.822 300 A HN 0.521 nan 8.150 nan 0.000 0.447 301 K N -1.114 119.212 120.400 -0.124 0.000 2.049 301 K HA -0.233 4.087 4.320 -0.000 0.000 0.219 301 K C 1.791 178.288 176.600 -0.172 0.000 1.056 301 K CA 2.095 58.329 56.287 -0.087 0.000 0.946 301 K CB -0.572 31.887 32.500 -0.069 0.000 0.723 301 K HN 0.441 nan 8.250 nan 0.000 0.453 302 G N -0.618 108.023 108.800 -0.265 0.000 2.744 302 G HA2 0.141 4.101 3.960 -0.000 0.000 0.211 302 G HA3 0.141 4.101 3.960 -0.000 0.000 0.211 302 G C -0.208 174.390 174.900 -0.503 0.000 1.146 302 G CA -0.104 44.817 45.100 -0.298 0.000 0.787 302 G HN 0.152 nan 8.290 nan 0.000 0.534 303 V N 1.863 121.393 119.914 -0.639 0.000 2.487 303 V HA 0.342 4.462 4.120 -0.000 0.000 0.298 303 V C -0.906 174.814 176.094 -0.624 0.000 1.028 303 V CA -1.027 60.909 62.300 -0.606 0.000 0.860 303 V CB 1.601 33.090 31.823 -0.558 0.000 0.991 303 V HN 0.322 nan 8.190 nan 0.000 0.427 304 H N 5.175 124.213 119.070 -0.053 0.000 2.482 304 H HA 0.685 5.241 4.556 -0.000 0.000 0.231 304 H C 0.060 175.409 175.328 0.035 0.000 1.612 304 H CA -0.024 56.025 56.048 0.002 0.000 1.279 304 H CB 1.107 30.866 29.762 -0.005 0.000 1.562 304 H HN 0.768 nan 8.280 nan 0.000 0.553 305 Q N 0.145 120.034 119.800 0.148 0.000 2.829 305 Q HA 0.026 4.366 4.340 -0.000 0.000 0.319 305 Q C -2.832 173.279 176.000 0.186 0.000 0.770 305 Q CA -0.804 55.087 55.803 0.146 0.000 1.029 305 Q CB -0.166 28.647 28.738 0.124 0.000 1.210 305 Q HN 0.310 nan 8.270 nan 0.000 0.485 306 P HA 0.220 nan 4.420 nan 0.000 0.258 306 P C -1.278 176.102 177.300 0.134 0.000 1.187 306 P CA 0.853 63.995 63.100 0.070 0.000 0.767 306 P CB -0.361 31.363 31.700 0.039 0.000 0.770 307 F N 0.685 120.603 119.950 -0.053 0.000 2.725 307 F HA 0.672 5.199 4.527 -0.000 0.000 0.309 307 F C -2.127 173.638 175.800 -0.058 0.000 1.132 307 F CA -1.095 56.841 58.000 -0.106 0.000 0.957 307 F CB 1.441 40.322 39.000 -0.197 0.000 1.286 307 F HN 0.073 nan 8.300 nan 0.000 0.440 308 D N 1.623 121.975 120.400 -0.080 0.000 2.645 308 D HA 0.753 5.393 4.640 -0.000 0.000 0.228 308 D C -1.541 174.877 176.300 0.197 0.000 1.148 308 D CA -0.230 53.744 54.000 -0.042 0.000 0.860 308 D CB 2.709 43.537 40.800 0.047 0.000 1.548 308 D HN 1.242 nan 8.370 nan 0.000 0.460 309 V N -0.678 119.389 119.914 0.255 0.000 3.077 309 V HA 0.906 5.026 4.120 -0.000 0.000 0.299 309 V C -1.118 175.115 176.094 0.231 0.000 1.276 309 V CA -0.579 61.863 62.300 0.236 0.000 0.993 309 V CB 1.437 33.346 31.823 0.144 0.000 1.076 309 V HN 0.549 nan 8.190 nan 0.000 0.434 310 S N 2.076 117.914 115.700 0.229 0.000 2.550 310 S HA 0.859 5.329 4.470 -0.000 0.000 0.270 310 S C -0.191 174.525 174.600 0.195 0.000 1.145 310 S CA -0.009 58.298 58.200 0.179 0.000 0.852 310 S CB 1.802 65.097 63.200 0.158 0.000 1.119 310 S HN 2.459 nan 8.310 nan 0.000 0.465 311 A N 2.841 125.725 122.820 0.107 0.000 2.477 311 A HA 0.557 4.877 4.320 -0.000 0.000 0.246 311 A C -0.555 177.046 177.584 0.028 0.000 1.078 311 A CA -0.089 51.966 52.037 0.030 0.000 0.770 311 A CB -0.335 18.669 19.000 0.006 0.000 1.011 311 A HN 0.920 nan 8.150 nan 0.000 0.494 312 F N 2.741 122.548 119.950 -0.239 0.000 2.421 312 F HA 0.487 5.014 4.527 -0.000 0.000 0.337 312 F C 0.226 175.924 175.800 -0.170 0.000 1.105 312 F CA -0.505 57.403 58.000 -0.154 0.000 1.049 312 F CB 1.147 40.096 39.000 -0.084 0.000 1.139 312 F HN 0.635 nan 8.300 nan 0.000 0.479 313 N N 5.034 123.327 118.700 -0.678 0.000 2.640 313 N HA 0.482 5.222 4.740 -0.000 0.000 0.262 313 N C -1.770 173.436 175.510 -0.507 0.000 1.174 313 N CA -0.283 52.561 53.050 -0.343 0.000 0.791 313 N CB 1.025 39.526 38.487 0.023 0.000 1.279 313 N HN 0.747 nan 8.380 nan 0.000 0.535 314 A N 1.704 124.237 122.820 -0.478 0.000 2.312 314 A HA 0.646 4.966 4.320 -0.000 0.000 0.326 314 A C -0.442 176.860 177.584 -0.470 0.000 1.172 314 A CA -0.481 51.304 52.037 -0.419 0.000 0.821 314 A CB 1.484 20.391 19.000 -0.155 0.000 1.166 314 A HN 0.389 nan 8.150 nan 0.000 0.493 315 S N 1.026 116.365 115.700 -0.603 0.000 2.677 315 S HA 0.661 5.131 4.470 -0.000 0.000 0.283 315 S C -1.157 173.107 174.600 -0.559 0.000 1.159 315 S CA -0.431 57.461 58.200 -0.513 0.000 1.001 315 S CB 0.225 63.289 63.200 -0.227 0.000 1.032 315 S HN 0.525 nan 8.310 nan 0.000 0.487 316 Y N 1.530 121.855 120.300 0.041 0.000 2.593 316 Y HA 0.329 4.879 4.550 -0.000 0.000 0.330 316 Y C 2.187 178.097 175.900 0.016 0.000 1.223 316 Y CA -0.312 57.799 58.100 0.018 0.000 1.350 316 Y CB 0.523 38.977 38.460 -0.010 0.000 1.499 316 Y HN 0.716 nan 8.280 nan 0.000 0.554 317 S N -0.084 115.735 115.700 0.198 0.000 2.383 317 S HA -0.198 4.272 4.470 -0.000 0.000 0.229 317 S C 0.620 175.280 174.600 0.100 0.000 1.030 317 S CA 1.834 60.105 58.200 0.118 0.000 1.002 317 S CB -0.394 62.870 63.200 0.108 0.000 0.829 317 S HN 0.836 nan 8.310 nan 0.000 0.467 318 D N -0.575 119.894 120.400 0.114 0.000 2.760 318 D HA 0.491 5.131 4.640 -0.000 0.000 0.314 318 D C 0.041 176.420 176.300 0.132 0.000 1.464 318 D CA -0.128 53.932 54.000 0.099 0.000 0.797 318 D CB 0.244 41.091 40.800 0.078 0.000 1.149 318 D HN 0.301 nan 8.370 nan 0.000 0.455 319 S N -1.540 114.261 115.700 0.168 0.000 2.682 319 S HA 0.720 5.190 4.470 -0.000 0.000 0.280 319 S C -1.518 173.190 174.600 0.179 0.000 1.207 319 S CA -0.093 58.235 58.200 0.214 0.000 0.987 319 S CB 0.977 64.415 63.200 0.397 0.000 1.263 319 S HN 0.836 nan 8.310 nan 0.000 0.494 320 G N 0.407 109.340 108.800 0.221 0.000 2.384 320 G HA2 0.466 4.426 3.960 -0.000 0.000 0.300 320 G HA3 0.466 4.426 3.960 -0.000 0.000 0.300 320 G C -2.401 172.554 174.900 0.092 0.000 1.582 320 G CA -0.693 44.443 45.100 0.059 0.000 0.875 320 G HN 0.716 nan 8.290 nan 0.000 0.628 321 L N 0.483 121.777 121.223 0.118 0.000 2.346 321 L HA 0.848 5.188 4.340 -0.000 0.000 0.274 321 L C -0.786 176.183 176.870 0.165 0.000 1.007 321 L CA -0.956 53.985 54.840 0.168 0.000 0.818 321 L CB 2.145 44.384 42.059 0.301 0.000 1.284 321 L HN 0.577 nan 8.230 nan 0.000 0.424 322 F N 0.742 120.699 119.950 0.012 0.000 2.613 322 F HA 0.878 5.405 4.527 -0.000 0.000 0.314 322 F C 0.139 176.047 175.800 0.181 0.000 1.075 322 F CA 0.239 58.273 58.000 0.055 0.000 0.945 322 F CB 2.248 41.202 39.000 -0.077 0.000 1.310 322 F HN 0.569 nan 8.300 nan 0.000 0.467 323 G N 2.083 110.214 108.800 -1.116 0.000 2.439 323 G HA2 0.330 4.290 3.960 -0.000 0.000 0.186 323 G HA3 0.330 4.290 3.960 -0.000 0.000 0.186 323 G C -1.852 172.612 174.900 -0.727 0.000 1.260 323 G CA -0.111 44.414 45.100 -0.957 0.000 1.020 323 G HN 1.163 nan 8.290 nan 0.000 0.470 324 F N -1.629 118.162 119.950 -0.265 0.000 2.645 324 F HA 0.851 5.378 4.527 -0.000 0.000 0.310 324 F C -1.304 174.517 175.800 0.035 0.000 1.102 324 F CA -1.945 55.996 58.000 -0.098 0.000 0.952 324 F CB 1.686 40.619 39.000 -0.112 0.000 1.326 324 F HN 0.669 nan 8.300 nan 0.000 0.456 325 Y N 1.418 121.867 120.300 0.248 0.000 2.350 325 Y HA 0.637 5.187 4.550 -0.000 0.000 0.338 325 Y C -0.545 175.460 175.900 0.175 0.000 0.961 325 Y CA -0.460 57.724 58.100 0.140 0.000 1.100 325 Y CB 1.791 40.316 38.460 0.108 0.000 1.179 325 Y HN 0.968 nan 8.280 nan 0.000 0.454 326 T N 4.627 119.107 114.554 -0.123 0.000 2.887 326 T HA 0.743 5.093 4.350 -0.000 0.000 0.288 326 T C -0.967 173.590 174.700 -0.239 0.000 1.021 326 T CA -0.751 61.313 62.100 -0.060 0.000 1.000 326 T CB 1.578 70.432 68.868 -0.023 0.000 1.034 326 T HN 0.543 nan 8.240 nan 0.000 0.467 327 I N 2.730 123.217 120.570 -0.138 0.000 2.478 327 I HA 0.534 4.704 4.170 -0.000 0.000 0.287 327 I C -0.223 175.824 176.117 -0.116 0.000 1.042 327 I CA -0.580 60.546 61.300 -0.289 0.000 1.067 327 I CB 1.971 39.772 38.000 -0.331 0.000 1.233 327 I HN 1.053 nan 8.210 nan 0.000 0.431 328 S N 4.533 120.162 115.700 -0.118 0.000 2.656 328 S HA 0.502 4.972 4.470 -0.000 0.000 0.273 328 S C -1.120 173.451 174.600 -0.048 0.000 1.168 328 S CA -1.123 57.054 58.200 -0.037 0.000 0.817 328 S CB 1.842 65.022 63.200 -0.032 0.000 1.146 328 S HN 0.431 nan 8.310 nan 0.000 0.475 329 Q N 0.406 120.190 119.800 -0.027 0.000 2.395 329 Q HA 0.299 4.639 4.340 -0.000 0.000 0.271 329 Q C 1.643 177.617 176.000 -0.042 0.000 1.026 329 Q CA 0.541 56.326 55.803 -0.030 0.000 0.900 329 Q CB 0.438 29.158 28.738 -0.028 0.000 1.266 329 Q HN 0.983 nan 8.270 nan 0.000 0.430 330 A N 2.161 124.961 122.820 -0.034 0.000 2.042 330 A HA -0.227 4.093 4.320 -0.000 0.000 0.222 330 A C 1.768 179.332 177.584 -0.033 0.000 1.167 330 A CA 2.289 54.312 52.037 -0.024 0.000 0.649 330 A CB -0.355 18.642 19.000 -0.006 0.000 0.809 330 A HN 0.769 nan 8.150 nan 0.000 0.457 331 A N -1.650 121.107 122.820 -0.105 0.000 2.115 331 A HA 0.261 4.581 4.320 -0.000 0.000 0.211 331 A C 2.125 179.622 177.584 -0.146 0.000 1.169 331 A CA 1.168 53.062 52.037 -0.238 0.000 0.787 331 A CB -0.151 18.622 19.000 -0.378 0.000 0.858 331 A HN 0.409 nan 8.150 nan 0.000 0.474 332 S N 0.238 115.880 115.700 -0.098 0.000 2.501 332 S HA 0.229 4.699 4.470 -0.000 0.000 0.220 332 S C 2.140 176.694 174.600 -0.077 0.000 0.997 332 S CA 0.592 58.736 58.200 -0.092 0.000 0.919 332 S CB -0.140 62.997 63.200 -0.104 0.000 0.778 332 S HN 0.761 nan 8.310 nan 0.000 0.523 333 A N 2.367 125.154 122.820 -0.055 0.000 1.900 333 A HA -0.252 4.068 4.320 -0.000 0.000 0.225 333 A C 2.348 179.909 177.584 -0.038 0.000 1.414 333 A CA 2.313 54.320 52.037 -0.049 0.000 0.702 333 A CB -1.838 17.143 19.000 -0.033 0.000 0.845 333 A HN 0.536 nan 8.150 nan 0.000 0.478 334 G N -0.747 108.052 108.800 -0.002 0.000 2.529 334 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.219 334 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.219 334 G C 1.158 176.051 174.900 -0.013 0.000 1.177 334 G CA 1.477 46.585 45.100 0.013 0.000 0.773 334 G HN 0.546 nan 8.290 nan 0.000 0.573 335 D N 0.251 120.625 120.400 -0.043 0.000 2.092 335 D HA -0.120 4.520 4.640 -0.000 0.000 0.193 335 D C 2.851 179.067 176.300 -0.140 0.000 0.994 335 D CA 1.380 55.328 54.000 -0.087 0.000 0.828 335 D CB -0.776 39.956 40.800 -0.112 0.000 0.963 335 D HN 0.251 nan 8.370 nan 0.000 0.450 336 V N 1.502 121.309 119.914 -0.178 0.000 2.287 336 V HA -0.241 3.879 4.120 -0.000 0.000 0.248 336 V C 2.604 178.601 176.094 -0.161 0.000 1.053 336 V CA 1.304 63.455 62.300 -0.249 0.000 1.027 336 V CB -0.589 31.085 31.823 -0.248 0.000 0.646 336 V HN 0.189 nan 8.190 nan 0.000 0.447 337 I N -0.190 120.350 120.570 -0.050 0.000 2.179 337 I HA -0.235 3.935 4.170 -0.000 0.000 0.242 337 I C 2.627 178.812 176.117 0.114 0.000 1.088 337 I CA 1.700 63.046 61.300 0.077 0.000 1.357 337 I CB -0.563 37.502 38.000 0.108 0.000 1.051 337 I HN 0.297 nan 8.210 nan 0.000 0.409 338 K N 1.011 121.453 120.400 0.071 0.000 2.148 338 K HA -0.093 4.226 4.320 -0.000 0.000 0.204 338 K C 2.216 178.829 176.600 0.023 0.000 1.050 338 K CA 1.415 57.759 56.287 0.096 0.000 0.942 338 K CB -0.167 32.367 32.500 0.057 0.000 0.724 338 K HN 0.330 nan 8.250 nan 0.000 0.446 339 A N 1.692 124.466 122.820 -0.076 0.000 1.874 339 A HA 0.027 4.347 4.320 -0.000 0.000 0.214 339 A C 2.435 179.923 177.584 -0.159 0.000 1.189 339 A CA 1.387 53.345 52.037 -0.131 0.000 0.615 339 A CB -0.544 18.329 19.000 -0.210 0.000 0.830 339 A HN 0.270 nan 8.150 nan 0.000 0.443 340 A N -0.990 121.669 122.820 -0.268 0.000 1.892 340 A HA -0.189 4.131 4.320 -0.000 0.000 0.218 340 A C 2.180 179.514 177.584 -0.417 0.000 1.188 340 A CA 1.900 53.601 52.037 -0.559 0.000 0.631 340 A CB -0.954 17.399 19.000 -1.078 0.000 0.822 340 A HN 0.659 nan 8.150 nan 0.000 0.447 341 Y N 1.375 121.569 120.300 -0.177 0.000 2.097 341 Y HA -0.243 4.307 4.550 -0.000 0.000 0.282 341 Y C 2.089 178.091 175.900 0.169 0.000 1.152 341 Y CA 1.789 60.056 58.100 0.279 0.000 1.136 341 Y CB -1.243 37.448 38.460 0.386 0.000 0.975 341 Y HN 0.512 nan 8.280 nan 0.000 0.498 342 N N -0.360 118.377 118.700 0.062 0.000 2.205 342 N HA -0.268 4.472 4.740 -0.000 0.000 0.186 342 N C 1.802 177.316 175.510 0.006 0.000 1.015 342 N CA 1.043 54.060 53.050 -0.056 0.000 0.862 342 N CB -0.228 38.217 38.487 -0.071 0.000 0.986 342 N HN 0.318 nan 8.380 nan 0.000 0.429 343 Q N 1.233 121.039 119.800 0.010 0.000 2.050 343 Q HA -0.083 4.257 4.340 -0.000 0.000 0.202 343 Q C 1.865 177.905 176.000 0.068 0.000 0.980 343 Q CA 1.397 57.204 55.803 0.007 0.000 0.840 343 Q CB -0.363 28.346 28.738 -0.047 0.000 0.898 343 Q HN 0.162 nan 8.270 nan 0.000 0.424 344 V N 0.752 120.754 119.914 0.147 0.000 2.261 344 V HA -0.256 3.864 4.120 -0.000 0.000 0.246 344 V C 2.336 178.570 176.094 0.234 0.000 1.047 344 V CA 2.175 64.609 62.300 0.223 0.000 1.015 344 V CB -0.640 31.388 31.823 0.341 0.000 0.642 344 V HN 0.394 nan 8.190 nan 0.000 0.446 345 K N -0.644 119.902 120.400 0.243 0.000 2.173 345 K HA -0.233 4.087 4.320 -0.000 0.000 0.207 345 K C 2.205 178.848 176.600 0.070 0.000 1.046 345 K CA 1.905 58.272 56.287 0.133 0.000 0.929 345 K CB -0.310 32.167 32.500 -0.038 0.000 0.720 345 K HN 0.450 nan 8.250 nan 0.000 0.453 346 T N 0.061 114.647 114.554 0.053 0.000 3.055 346 T HA 0.093 4.443 4.350 -0.000 0.000 0.265 346 T C 1.448 176.170 174.700 0.037 0.000 1.111 346 T CA 0.462 62.580 62.100 0.029 0.000 1.118 346 T CB 0.060 68.936 68.868 0.012 0.000 0.909 346 T HN 0.152 nan 8.240 nan 0.000 0.501 347 I N 0.606 121.211 120.570 0.058 0.000 2.703 347 I HA 0.081 4.251 4.170 -0.000 0.000 0.259 347 I C 2.827 178.969 176.117 0.042 0.000 1.151 347 I CA 0.675 62.002 61.300 0.045 0.000 1.470 347 I CB -0.495 37.536 38.000 0.052 0.000 1.112 347 I HN 0.174 nan 8.210 nan 0.000 0.437 348 A N 0.420 123.284 122.820 0.072 0.000 2.024 348 A HA -0.242 4.078 4.320 -0.000 0.000 0.220 348 A C 2.143 179.750 177.584 0.038 0.000 1.164 348 A CA 1.484 53.561 52.037 0.067 0.000 0.643 348 A CB -0.537 18.532 19.000 0.115 0.000 0.806 348 A HN 0.460 nan 8.150 nan 0.000 0.451 349 Q N -2.042 117.777 119.800 0.033 0.000 2.482 349 Q HA 0.233 4.573 4.340 -0.000 0.000 0.209 349 Q C 1.239 177.244 176.000 0.009 0.000 0.961 349 Q CA 0.539 56.353 55.803 0.017 0.000 0.945 349 Q CB 0.056 28.801 28.738 0.012 0.000 1.012 349 Q HN 0.879 nan 8.270 nan 0.000 0.515 350 G N 0.622 109.427 108.800 0.009 0.000 2.195 350 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.224 350 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.224 350 G C 0.012 174.913 174.900 0.002 0.000 0.990 350 G CA -0.050 45.051 45.100 0.002 0.000 0.639 350 G HN 0.372 nan 8.290 nan 0.000 0.514 351 N N 0.609 119.312 118.700 0.006 0.000 3.105 351 N HA 0.439 5.179 4.740 -0.000 0.000 0.309 351 N C -0.209 175.305 175.510 0.006 0.000 1.291 351 N CA 0.197 53.250 53.050 0.005 0.000 1.153 351 N CB 0.341 38.831 38.487 0.005 0.000 1.447 351 N HN 0.462 nan 8.380 nan 0.000 0.555 352 L N -0.603 120.622 121.223 0.003 0.000 2.329 352 L HA 0.465 4.805 4.340 -0.000 0.000 0.279 352 L C 0.804 177.674 176.870 0.001 0.000 1.014 352 L CA -0.202 54.639 54.840 0.003 0.000 0.814 352 L CB 1.479 43.536 42.059 -0.003 0.000 1.257 352 L HN 0.032 nan 8.230 nan 0.000 0.424 353 S N 2.983 118.685 115.700 0.003 0.000 2.106 353 S HA 0.146 4.616 4.470 -0.000 0.000 0.185 353 S C 0.804 175.403 174.600 -0.001 0.000 1.399 353 S CA 0.928 59.129 58.200 0.002 0.000 1.494 353 S CB 0.101 63.304 63.200 0.005 0.000 0.576 353 S HN 0.934 nan 8.310 nan 0.000 0.391 354 N N -0.716 117.984 118.700 -0.000 0.000 2.329 354 N HA 0.112 4.852 4.740 -0.000 0.000 0.303 354 N C -2.068 173.441 175.510 -0.001 0.000 0.752 354 N CA 0.210 53.258 53.050 -0.003 0.000 0.890 354 N CB -0.660 37.825 38.487 -0.004 0.000 1.999 354 N HN 0.260 nan 8.380 nan 0.000 1.182 355 P HA -0.024 nan 4.420 nan 0.000 0.221 355 P C 0.426 177.730 177.300 0.007 0.000 1.145 355 P CA 1.167 64.269 63.100 0.004 0.000 0.795 355 P CB 0.174 31.877 31.700 0.004 0.000 0.775 356 D N -0.011 120.394 120.400 0.008 0.000 2.084 356 D HA -0.100 4.540 4.640 -0.000 0.000 0.199 356 D C 2.172 178.481 176.300 0.015 0.000 0.981 356 D CA 1.012 55.020 54.000 0.013 0.000 0.841 356 D CB -0.969 39.840 40.800 0.014 0.000 0.997 356 D HN -0.085 nan 8.370 nan 0.000 0.454 357 V N 0.906 120.825 119.914 0.008 0.000 2.380 357 V HA -0.265 3.855 4.120 -0.000 0.000 0.251 357 V C 2.430 178.525 176.094 0.003 0.000 1.063 357 V CA 1.498 63.801 62.300 0.005 0.000 1.055 357 V CB -0.597 31.221 31.823 -0.008 0.000 0.657 357 V HN 0.111 nan 8.190 nan 0.000 0.455 358 Q N 0.491 120.291 119.800 0.001 0.000 2.020 358 Q HA -0.142 4.198 4.340 -0.000 0.000 0.202 358 Q C 2.340 178.343 176.000 0.005 0.000 0.982 358 Q CA 2.349 58.151 55.803 -0.001 0.000 0.838 358 Q CB -0.958 27.780 28.738 -0.000 0.000 0.899 358 Q HN 0.605 nan 8.270 nan 0.000 0.423 359 A N 0.305 123.133 122.820 0.012 0.000 1.883 359 A HA -0.167 4.153 4.320 -0.000 0.000 0.217 359 A C 2.277 179.877 177.584 0.027 0.000 1.186 359 A CA 2.448 54.497 52.037 0.020 0.000 0.624 359 A CB -1.288 17.726 19.000 0.023 0.000 0.822 359 A HN 0.472 nan 8.150 nan 0.000 0.444 360 A N -0.293 122.548 122.820 0.036 0.000 1.859 360 A HA -0.260 4.059 4.320 -0.000 0.000 0.217 360 A C 2.118 179.693 177.584 -0.016 0.000 1.198 360 A CA 2.141 54.212 52.037 0.057 0.000 0.629 360 A CB -0.648 18.400 19.000 0.080 0.000 0.830 360 A HN 0.551 nan 8.150 nan 0.000 0.446 361 K N -0.436 119.952 120.400 -0.020 0.000 2.059 361 K HA -0.246 4.074 4.320 -0.000 0.000 0.212 361 K C 1.871 178.436 176.600 -0.058 0.000 1.050 361 K CA 2.042 58.301 56.287 -0.047 0.000 0.927 361 K CB -0.439 32.042 32.500 -0.032 0.000 0.714 361 K HN 0.711 nan 8.250 nan 0.000 0.447 362 N N 0.465 119.147 118.700 -0.029 0.000 2.084 362 N HA -0.155 4.585 4.740 -0.000 0.000 0.190 362 N C 1.651 177.146 175.510 -0.025 0.000 1.030 362 N CA 1.115 54.155 53.050 -0.016 0.000 0.849 362 N CB -0.024 38.468 38.487 0.009 0.000 1.012 362 N HN 0.148 nan 8.380 nan 0.000 0.423 363 K N 0.634 121.023 120.400 -0.018 0.000 2.009 363 K HA -0.158 4.162 4.320 -0.000 0.000 0.210 363 K C 1.992 178.476 176.600 -0.193 0.000 1.049 363 K CA 0.912 57.209 56.287 0.016 0.000 0.929 363 K CB -0.413 32.208 32.500 0.201 0.000 0.714 363 K HN 0.068 nan 8.250 nan 0.000 0.440 364 L N 2.209 123.133 121.223 -0.499 0.000 1.978 364 L HA -0.275 4.065 4.340 -0.000 0.000 0.218 364 L C 1.884 178.673 176.870 -0.135 0.000 1.075 364 L CA 1.960 56.490 54.840 -0.516 0.000 0.767 364 L CB -0.514 41.315 42.059 -0.383 0.000 0.890 364 L HN 0.076 nan 8.230 nan 0.000 0.434 365 K N -0.668 119.687 120.400 -0.074 0.000 1.991 365 K HA -0.130 4.190 4.320 -0.000 0.000 0.212 365 K C 2.076 178.715 176.600 0.064 0.000 1.049 365 K CA 1.581 57.880 56.287 0.020 0.000 0.932 365 K CB -0.664 31.838 32.500 0.004 0.000 0.717 365 K HN 0.472 nan 8.250 nan 0.000 0.441 366 A N 1.363 124.195 122.820 0.020 0.000 1.948 366 A HA -0.163 4.157 4.320 -0.000 0.000 0.220 366 A C 2.433 180.028 177.584 0.018 0.000 1.177 366 A CA 2.139 54.186 52.037 0.018 0.000 0.636 366 A CB -1.394 17.609 19.000 0.005 0.000 0.815 366 A HN 0.486 nan 8.150 nan 0.000 0.449 367 G N -1.854 106.961 108.800 0.024 0.000 2.418 367 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.217 367 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.217 367 G C 1.537 176.480 174.900 0.072 0.000 1.158 367 G CA 1.263 46.389 45.100 0.043 0.000 0.771 367 G HN 0.604 nan 8.290 nan 0.000 0.545 368 Y N 1.204 121.497 120.300 -0.011 0.000 2.109 368 Y HA -0.020 4.530 4.550 -0.000 0.000 0.285 368 Y C 2.667 178.575 175.900 0.014 0.000 1.131 368 Y CA 1.373 59.475 58.100 0.003 0.000 1.121 368 Y CB -0.521 37.933 38.460 -0.010 0.000 0.987 368 Y HN 0.091 nan 8.280 nan 0.000 0.495 369 L N -0.312 120.915 121.223 0.008 0.000 1.991 369 L HA -0.384 3.956 4.340 -0.000 0.000 0.221 369 L C 2.661 179.455 176.870 -0.127 0.000 1.079 369 L CA 2.292 57.083 54.840 -0.082 0.000 0.778 369 L CB -0.755 41.314 42.059 0.016 0.000 0.893 369 L HN 0.347 nan 8.230 nan 0.000 0.437 370 M N -0.537 119.022 119.600 -0.068 0.000 2.143 370 M HA -0.275 4.205 4.480 -0.000 0.000 0.258 370 M C 2.556 178.808 176.300 -0.080 0.000 1.071 370 M CA 2.172 57.435 55.300 -0.062 0.000 1.088 370 M CB -0.314 32.259 32.600 -0.044 0.000 1.360 370 M HN 0.344 nan 8.290 nan 0.000 0.404 371 S N -0.387 115.244 115.700 -0.116 0.000 2.419 371 S HA -0.076 4.394 4.470 -0.000 0.000 0.233 371 S C 1.272 175.806 174.600 -0.110 0.000 1.016 371 S CA 1.345 59.482 58.200 -0.105 0.000 0.974 371 S CB -0.377 62.755 63.200 -0.113 0.000 0.786 371 S HN 0.443 nan 8.310 nan 0.000 0.492 372 V N -1.564 118.255 119.914 -0.158 0.000 3.214 372 V HA 0.477 4.597 4.120 -0.000 0.000 0.330 372 V C 1.432 177.522 176.094 -0.008 0.000 1.403 372 V CA 0.030 62.306 62.300 -0.040 0.000 1.143 372 V CB -0.434 31.388 31.823 -0.001 0.000 1.098 372 V HN 0.253 nan 8.190 nan 0.000 0.463 373 E N 2.224 122.400 120.200 -0.040 0.000 2.070 373 E HA -0.145 4.205 4.350 -0.000 0.000 0.197 373 E C 1.593 178.176 176.600 -0.027 0.000 1.004 373 E CA 1.656 58.032 56.400 -0.041 0.000 0.805 373 E CB 0.017 29.695 29.700 -0.036 0.000 0.744 373 E HN 0.865 nan 8.360 nan 0.000 0.451 374 S N -1.371 114.330 115.700 0.001 0.000 2.652 374 S HA 0.200 4.670 4.470 -0.000 0.000 0.270 374 S C 1.047 175.683 174.600 0.060 0.000 1.243 374 S CA -0.294 57.916 58.200 0.017 0.000 0.999 374 S CB 1.864 65.078 63.200 0.024 0.000 0.973 374 S HN 0.051 nan 8.310 nan 0.000 0.544 375 S N 0.752 116.486 115.700 0.057 0.000 2.335 375 S HA -0.091 4.379 4.470 -0.000 0.000 0.216 375 S C 1.786 176.478 174.600 0.154 0.000 1.032 375 S CA 1.064 59.331 58.200 0.112 0.000 1.000 375 S CB -0.823 62.421 63.200 0.072 0.000 0.928 375 S HN 0.888 nan 8.310 nan 0.000 0.434 376 E N 0.639 120.899 120.200 0.099 0.000 2.253 376 E HA -0.207 4.143 4.350 -0.000 0.000 0.202 376 E C 1.902 178.565 176.600 0.105 0.000 1.014 376 E CA 1.311 57.767 56.400 0.092 0.000 0.823 376 E CB -0.370 29.364 29.700 0.058 0.000 0.736 376 E HN 0.524 nan 8.360 nan 0.000 0.478 377 G N 0.042 108.905 108.800 0.105 0.000 2.411 377 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.213 377 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.213 377 G C 1.316 176.290 174.900 0.122 0.000 1.166 377 G CA 0.393 45.548 45.100 0.091 0.000 0.802 377 G HN 0.364 nan 8.290 nan 0.000 0.533 378 F N 1.153 121.107 119.950 0.007 0.000 2.102 378 F HA 0.032 4.559 4.527 -0.000 0.000 0.298 378 F C 2.271 178.103 175.800 0.053 0.000 1.105 378 F CA 1.327 59.338 58.000 0.019 0.000 1.239 378 F CB -0.320 38.688 39.000 0.012 0.000 0.991 378 F HN 0.087 nan 8.300 nan 0.000 0.474 379 L N 0.730 122.014 121.223 0.102 0.000 2.079 379 L HA -0.245 4.095 4.340 -0.000 0.000 0.210 379 L C 1.955 178.841 176.870 0.027 0.000 1.081 379 L CA 2.445 57.300 54.840 0.025 0.000 0.752 379 L CB -0.864 41.303 42.059 0.180 0.000 0.896 379 L HN 0.305 nan 8.230 nan 0.000 0.433 380 D N -1.227 119.226 120.400 0.089 0.000 2.144 380 D HA -0.237 4.403 4.640 -0.000 0.000 0.200 380 D C 2.055 178.310 176.300 -0.075 0.000 0.978 380 D CA 1.019 55.090 54.000 0.118 0.000 0.833 380 D CB 0.088 40.974 40.800 0.142 0.000 0.961 380 D HN 0.441 nan 8.370 nan 0.000 0.470 381 E N -0.136 120.003 120.200 -0.103 0.000 2.028 381 E HA -0.125 4.225 4.350 -0.000 0.000 0.191 381 E C 2.043 178.536 176.600 -0.178 0.000 0.988 381 E CA 1.441 57.782 56.400 -0.099 0.000 0.799 381 E CB -0.446 29.222 29.700 -0.052 0.000 0.755 381 E HN 0.194 nan 8.360 nan 0.000 0.447 382 V N 0.696 120.420 119.914 -0.316 0.000 2.295 382 V HA -0.187 3.933 4.120 -0.000 0.000 0.246 382 V C 2.407 178.296 176.094 -0.342 0.000 1.049 382 V CA 1.935 64.085 62.300 -0.250 0.000 1.024 382 V CB -1.397 30.172 31.823 -0.423 0.000 0.648 382 V HN 0.502 nan 8.190 nan 0.000 0.447 383 G N -0.066 108.322 108.800 -0.685 0.000 2.476 383 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.218 383 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.218 383 G C 1.787 176.109 174.900 -0.963 0.000 1.164 383 G CA 1.407 45.582 45.100 -1.541 0.000 0.768 383 G HN 0.553 nan 8.290 nan 0.000 0.560 384 S N 0.030 115.403 115.700 -0.546 0.000 2.414 384 S HA -0.032 4.438 4.470 -0.000 0.000 0.227 384 S C 2.262 176.795 174.600 -0.112 0.000 1.022 384 S CA 0.856 58.928 58.200 -0.213 0.000 0.958 384 S CB -0.140 63.014 63.200 -0.077 0.000 0.797 384 S HN 0.466 nan 8.310 nan 0.000 0.493 385 Q N 1.218 120.956 119.800 -0.103 0.000 2.020 385 Q HA -0.101 4.239 4.340 -0.000 0.000 0.202 385 Q C 2.634 178.647 176.000 0.021 0.000 0.982 385 Q CA 1.422 57.210 55.803 -0.025 0.000 0.838 385 Q CB -0.505 28.234 28.738 0.001 0.000 0.899 385 Q HN 0.582 nan 8.270 nan 0.000 0.423 386 A N 0.839 123.680 122.820 0.035 0.000 1.915 386 A HA -0.236 4.084 4.320 -0.000 0.000 0.220 386 A C 1.941 179.564 177.584 0.065 0.000 1.198 386 A CA 1.704 53.806 52.037 0.109 0.000 0.647 386 A CB -0.614 18.389 19.000 0.005 0.000 0.825 386 A HN 0.286 nan 8.150 nan 0.000 0.456 387 L N -1.649 119.579 121.223 0.009 0.000 2.341 387 L HA 0.166 4.506 4.340 -0.000 0.000 0.214 387 L C 2.707 179.609 176.870 0.053 0.000 1.115 387 L CA 1.503 56.366 54.840 0.039 0.000 0.820 387 L CB -0.709 41.378 42.059 0.047 0.000 0.944 387 L HN 0.407 nan 8.230 nan 0.000 0.452 388 A N -1.653 121.191 122.820 0.040 0.000 2.044 388 A HA 0.411 4.731 4.320 -0.000 0.000 0.213 388 A C 2.131 179.739 177.584 0.039 0.000 1.169 388 A CA 1.073 53.136 52.037 0.044 0.000 0.724 388 A CB -0.142 18.877 19.000 0.031 0.000 0.840 388 A HN 0.285 nan 8.150 nan 0.000 0.463 389 A N -2.503 120.341 122.820 0.039 0.000 2.066 389 A HA 0.468 4.788 4.320 -0.000 0.000 0.198 389 A C 1.632 179.253 177.584 0.062 0.000 1.405 389 A CA 1.107 53.163 52.037 0.032 0.000 0.973 389 A CB -0.297 18.700 19.000 -0.005 0.000 1.026 389 A HN 1.826 nan 8.150 nan 0.000 0.474 390 G N -0.037 108.838 108.800 0.125 0.000 2.198 390 G HA2 -0.113 3.847 3.960 -0.000 0.000 0.257 390 G HA3 -0.113 3.847 3.960 -0.000 0.000 0.257 390 G C 0.115 175.154 174.900 0.233 0.000 1.042 390 G CA 0.569 45.807 45.100 0.230 0.000 0.791 390 G HN 1.185 nan 8.290 nan 0.000 0.502 391 S N -1.674 114.070 115.700 0.074 0.000 2.739 391 S HA 0.756 5.226 4.470 -0.000 0.000 0.285 391 S C -1.237 173.157 174.600 -0.343 0.000 1.181 391 S CA -0.702 57.292 58.200 -0.344 0.000 0.827 391 S CB 2.204 65.286 63.200 -0.197 0.000 1.178 391 S HN 1.149 nan 8.310 nan 0.000 0.498 392 Y N 1.191 121.160 120.300 -0.551 0.000 2.317 392 Y HA 0.471 5.021 4.550 -0.000 0.000 0.325 392 Y C -1.196 174.601 175.900 -0.173 0.000 1.066 392 Y CA -0.274 57.673 58.100 -0.255 0.000 1.203 392 Y CB 1.082 39.441 38.460 -0.170 0.000 1.127 392 Y HN 0.605 nan 8.280 nan 0.000 0.451 393 T N 8.578 122.732 114.554 -0.666 0.000 2.753 393 T HA 0.351 4.701 4.350 -0.000 0.000 0.297 393 T C -2.676 171.634 174.700 -0.650 0.000 0.981 393 T CA -1.477 60.320 62.100 -0.504 0.000 0.956 393 T CB 0.923 69.611 68.868 -0.301 0.000 0.936 393 T HN 0.420 nan 8.240 nan 0.000 0.463 394 P HA 0.158 nan 4.420 nan 0.000 0.269 394 P C -1.831 175.420 177.300 -0.083 0.000 1.215 394 P CA -1.423 61.534 63.100 -0.239 0.000 0.780 394 P CB 0.156 31.835 31.700 -0.034 0.000 0.898 395 P HA -0.209 nan 4.420 nan 0.000 0.215 395 P C 1.348 178.681 177.300 0.055 0.000 1.157 395 P CA 1.871 65.066 63.100 0.157 0.000 0.874 395 P CB -0.339 31.472 31.700 0.185 0.000 0.790 396 S N -0.687 115.034 115.700 0.035 0.000 2.380 396 S HA -0.238 4.232 4.470 -0.000 0.000 0.229 396 S C 2.078 176.667 174.600 -0.019 0.000 1.043 396 S CA 2.302 60.510 58.200 0.012 0.000 1.038 396 S CB -1.742 61.467 63.200 0.015 0.000 0.872 396 S HN 0.439 nan 8.310 nan 0.000 0.456 397 T N 0.345 114.873 114.554 -0.043 0.000 2.978 397 T HA 0.093 4.443 4.350 -0.000 0.000 0.262 397 T C 1.748 176.388 174.700 -0.101 0.000 1.063 397 T CA 0.776 62.835 62.100 -0.068 0.000 1.140 397 T CB -0.483 68.337 68.868 -0.079 0.000 0.886 397 T HN 0.157 nan 8.240 nan 0.000 0.470 398 V N 1.851 121.685 119.914 -0.134 0.000 2.295 398 V HA -0.083 4.037 4.120 -0.000 0.000 0.246 398 V C 2.807 178.793 176.094 -0.179 0.000 1.049 398 V CA 1.752 63.917 62.300 -0.224 0.000 1.024 398 V CB -0.702 30.872 31.823 -0.414 0.000 0.648 398 V HN 0.498 nan 8.190 nan 0.000 0.447 399 L N -0.252 120.908 121.223 -0.105 0.000 2.017 399 L HA -0.272 4.068 4.340 -0.000 0.000 0.208 399 L C 2.684 179.517 176.870 -0.062 0.000 1.073 399 L CA 2.313 57.115 54.840 -0.065 0.000 0.745 399 L CB -0.824 41.227 42.059 -0.013 0.000 0.894 399 L HN 0.452 nan 8.230 nan 0.000 0.432 400 Q N 0.151 119.919 119.800 -0.054 0.000 2.181 400 Q HA -0.287 4.053 4.340 -0.000 0.000 0.205 400 Q C 2.132 178.096 176.000 -0.059 0.000 0.980 400 Q CA 1.806 57.581 55.803 -0.048 0.000 0.862 400 Q CB -0.016 28.697 28.738 -0.042 0.000 0.905 400 Q HN 0.517 nan 8.270 nan 0.000 0.429 401 Q N 0.182 119.933 119.800 -0.081 0.000 2.049 401 Q HA -0.070 4.270 4.340 -0.000 0.000 0.198 401 Q C 2.104 178.055 176.000 -0.081 0.000 0.971 401 Q CA 1.684 57.436 55.803 -0.085 0.000 0.833 401 Q CB -0.017 28.656 28.738 -0.108 0.000 0.896 401 Q HN 0.480 nan 8.270 nan 0.000 0.434 402 I N 1.109 121.622 120.570 -0.096 0.000 2.264 402 I HA -0.310 3.860 4.170 -0.000 0.000 0.248 402 I C 1.494 177.574 176.117 -0.061 0.000 1.111 402 I CA 0.983 62.233 61.300 -0.084 0.000 1.382 402 I CB -0.278 37.665 38.000 -0.095 0.000 1.060 402 I HN 0.220 nan 8.210 nan 0.000 0.418 403 D N 1.105 121.473 120.400 -0.054 0.000 2.144 403 D HA -0.132 4.508 4.640 -0.000 0.000 0.199 403 D C 2.154 178.431 176.300 -0.039 0.000 0.984 403 D CA 1.459 55.435 54.000 -0.041 0.000 0.834 403 D CB -0.054 40.725 40.800 -0.034 0.000 0.955 403 D HN 0.364 nan 8.370 nan 0.000 0.465 404 A N 0.518 123.312 122.820 -0.043 0.000 2.239 404 A HA 0.016 4.336 4.320 -0.000 0.000 0.209 404 A C 1.024 178.584 177.584 -0.040 0.000 1.171 404 A CA 0.069 52.083 52.037 -0.039 0.000 0.768 404 A CB -0.102 18.875 19.000 -0.039 0.000 0.790 404 A HN 0.033 nan 8.150 nan 0.000 0.478 405 V N 1.301 121.188 119.914 -0.044 0.000 2.450 405 V HA 0.310 4.430 4.120 -0.000 0.000 0.281 405 V C 0.947 177.015 176.094 -0.044 0.000 1.019 405 V CA -0.090 62.181 62.300 -0.048 0.000 1.062 405 V CB -0.227 31.565 31.823 -0.052 0.000 0.979 405 V HN 0.507 nan 8.190 nan 0.000 0.477 406 A N 3.835 126.627 122.820 -0.046 0.000 2.322 406 A HA 0.339 4.659 4.320 -0.000 0.000 0.269 406 A C 1.054 178.611 177.584 -0.045 0.000 1.094 406 A CA -0.468 51.545 52.037 -0.040 0.000 0.807 406 A CB 0.196 19.174 19.000 -0.038 0.000 1.047 406 A HN 0.823 nan 8.150 nan 0.000 0.487 407 D N 1.263 121.642 120.400 -0.036 0.000 2.182 407 D HA -0.103 4.537 4.640 -0.000 0.000 0.201 407 D C 2.062 178.335 176.300 -0.046 0.000 0.986 407 D CA 1.989 55.967 54.000 -0.037 0.000 0.847 407 D CB -0.185 40.600 40.800 -0.025 0.000 0.942 407 D HN 0.622 nan 8.370 nan 0.000 0.467 408 A N 0.760 123.554 122.820 -0.043 0.000 1.969 408 A HA -0.163 4.157 4.320 -0.000 0.000 0.218 408 A C 1.755 179.299 177.584 -0.068 0.000 1.169 408 A CA 1.373 53.382 52.037 -0.047 0.000 0.635 408 A CB -0.272 18.706 19.000 -0.036 0.000 0.810 408 A HN 0.016 nan 8.150 nan 0.000 0.445 409 D N 0.033 120.389 120.400 -0.075 0.000 2.104 409 D HA -0.130 4.510 4.640 -0.000 0.000 0.194 409 D C 2.116 178.319 176.300 -0.163 0.000 0.994 409 D CA 1.634 55.572 54.000 -0.104 0.000 0.830 409 D CB -0.453 40.292 40.800 -0.091 0.000 0.959 409 D HN 0.246 nan 8.370 nan 0.000 0.452 410 V N 1.542 121.368 119.914 -0.147 0.000 2.261 410 V HA -0.227 3.892 4.120 -0.000 0.000 0.246 410 V C 2.625 178.609 176.094 -0.184 0.000 1.047 410 V CA 1.140 63.328 62.300 -0.186 0.000 1.015 410 V CB -0.470 31.286 31.823 -0.112 0.000 0.642 410 V HN 0.188 nan 8.190 nan 0.000 0.446 411 I N 0.597 121.101 120.570 -0.110 0.000 2.087 411 I HA -0.330 3.840 4.170 -0.000 0.000 0.240 411 I C 2.536 178.595 176.117 -0.097 0.000 1.054 411 I CA 1.989 63.243 61.300 -0.076 0.000 1.311 411 I CB -0.778 37.194 38.000 -0.046 0.000 1.024 411 I HN 0.413 nan 8.210 nan 0.000 0.402 412 N N 1.004 119.636 118.700 -0.112 0.000 2.094 412 N HA -0.204 4.536 4.740 -0.000 0.000 0.191 412 N C 1.873 177.272 175.510 -0.185 0.000 1.023 412 N CA 1.815 54.798 53.050 -0.112 0.000 0.857 412 N CB -0.322 38.105 38.487 -0.100 0.000 1.013 412 N HN 0.440 nan 8.380 nan 0.000 0.426 413 A N 1.257 123.846 122.820 -0.386 0.000 1.865 413 A HA -0.043 4.277 4.320 -0.000 0.000 0.217 413 A C 2.463 179.762 177.584 -0.475 0.000 1.191 413 A CA 2.209 53.736 52.037 -0.850 0.000 0.623 413 A CB -0.995 17.141 19.000 -1.440 0.000 0.826 413 A HN 0.342 nan 8.150 nan 0.000 0.444 414 A N -0.584 122.077 122.820 -0.265 0.000 1.883 414 A HA -0.199 4.121 4.320 -0.000 0.000 0.217 414 A C 2.142 179.825 177.584 0.165 0.000 1.186 414 A CA 1.921 53.979 52.037 0.035 0.000 0.624 414 A CB -0.531 18.502 19.000 0.055 0.000 0.822 414 A HN 0.474 nan 8.150 nan 0.000 0.444 415 K N -0.488 119.950 120.400 0.063 0.000 2.089 415 K HA -0.234 4.086 4.320 -0.000 0.000 0.210 415 K C 2.175 178.845 176.600 0.118 0.000 1.048 415 K CA 1.970 58.307 56.287 0.083 0.000 0.926 415 K CB -0.196 32.321 32.500 0.028 0.000 0.714 415 K HN 0.551 nan 8.250 nan 0.000 0.448 416 K N -0.047 120.420 120.400 0.112 0.000 2.148 416 K HA -0.150 4.170 4.320 -0.000 0.000 0.204 416 K C 2.029 178.771 176.600 0.237 0.000 1.050 416 K CA 1.017 57.399 56.287 0.158 0.000 0.942 416 K CB -0.157 32.465 32.500 0.204 0.000 0.724 416 K HN 0.061 nan 8.250 nan 0.000 0.446 417 F N 0.592 120.681 119.950 0.231 0.000 2.113 417 F HA -0.138 4.389 4.527 -0.000 0.000 0.297 417 F C 1.608 177.549 175.800 0.235 0.000 1.103 417 F CA 1.101 59.282 58.000 0.302 0.000 1.248 417 F CB -0.383 38.904 39.000 0.478 0.000 0.999 417 F HN -0.237 nan 8.300 nan 0.000 0.475 418 V N 0.508 120.557 119.914 0.225 0.000 2.490 418 V HA -0.243 3.877 4.120 -0.000 0.000 0.250 418 V C 2.220 178.334 176.094 0.032 0.000 1.061 418 V CA 2.025 64.419 62.300 0.158 0.000 1.064 418 V CB -0.988 31.014 31.823 0.298 0.000 0.670 418 V HN 0.610 nan 8.190 nan 0.000 0.461 419 S N -0.982 114.733 115.700 0.025 0.000 2.540 419 S HA 0.344 4.814 4.470 -0.000 0.000 0.218 419 S C 0.815 175.406 174.600 -0.014 0.000 0.977 419 S CA 0.219 58.428 58.200 0.015 0.000 0.918 419 S CB 0.557 63.777 63.200 0.034 0.000 0.806 419 S HN 0.508 nan 8.310 nan 0.000 0.496 420 G N 1.004 109.770 108.800 -0.057 0.000 2.441 420 G HA2 0.592 4.552 3.960 -0.000 0.000 0.334 420 G HA3 0.592 4.552 3.960 -0.000 0.000 0.334 420 G C -0.674 174.187 174.900 -0.066 0.000 1.161 420 G CA -1.305 43.762 45.100 -0.054 0.000 0.935 420 G HN 0.323 nan 8.290 nan 0.000 0.488 421 R N 0.181 120.678 120.500 -0.006 0.000 2.566 421 R HA 0.146 4.486 4.340 -0.000 0.000 0.273 421 R C 0.156 176.491 176.300 0.059 0.000 0.981 421 R CA 0.693 56.821 56.100 0.046 0.000 1.091 421 R CB 0.243 30.623 30.300 0.134 0.000 0.924 421 R HN 0.414 nan 8.270 nan 0.000 0.411 422 K N 0.700 121.090 120.400 -0.017 0.000 2.245 422 K HA 0.488 4.808 4.320 -0.000 0.000 0.234 422 K C -1.059 175.494 176.600 -0.078 0.000 1.021 422 K CA -0.488 55.758 56.287 -0.069 0.000 0.898 422 K CB 2.072 34.462 32.500 -0.184 0.000 1.163 422 K HN 0.448 nan 8.250 nan 0.000 0.459 423 S N 0.835 116.470 115.700 -0.109 0.000 2.668 423 S HA 0.465 4.935 4.470 -0.000 0.000 0.277 423 S C -1.458 173.038 174.600 -0.172 0.000 1.170 423 S CA -0.715 57.390 58.200 -0.159 0.000 0.994 423 S CB 0.829 63.924 63.200 -0.175 0.000 1.051 423 S HN 0.460 nan 8.310 nan 0.000 0.484 424 M N 2.972 122.473 119.600 -0.165 0.000 2.464 424 M HA 0.778 5.258 4.480 -0.000 0.000 0.308 424 M C -1.369 174.840 176.300 -0.153 0.000 1.127 424 M CA -0.572 54.626 55.300 -0.170 0.000 0.913 424 M CB 1.852 34.358 32.600 -0.158 0.000 1.689 424 M HN 0.763 nan 8.290 nan 0.000 0.445 425 A N 2.742 125.470 122.820 -0.153 0.000 2.422 425 A HA 0.992 5.312 4.320 -0.000 0.000 0.302 425 A C -1.617 175.890 177.584 -0.128 0.000 1.041 425 A CA -0.461 51.505 52.037 -0.118 0.000 0.708 425 A CB 1.638 20.588 19.000 -0.083 0.000 1.257 425 A HN 0.983 nan 8.150 nan 0.000 0.414 426 A N 0.963 123.713 122.820 -0.116 0.000 2.589 426 A HA 0.891 5.211 4.320 -0.000 0.000 0.296 426 A C -0.541 176.986 177.584 -0.095 0.000 1.062 426 A CA 0.148 52.113 52.037 -0.119 0.000 0.686 426 A CB 1.263 20.173 19.000 -0.150 0.000 1.282 426 A HN 2.344 nan 8.150 nan 0.000 0.404 427 S N 0.364 116.022 115.700 -0.070 0.000 2.546 427 S HA 0.959 5.429 4.470 -0.000 0.000 0.272 427 S C -0.029 174.542 174.600 -0.048 0.000 1.140 427 S CA 0.217 58.372 58.200 -0.075 0.000 0.920 427 S CB 1.305 64.437 63.200 -0.114 0.000 1.083 427 S HN 2.806 nan 8.310 nan 0.000 0.476 428 G N 1.993 110.762 108.800 -0.052 0.000 2.347 428 G HA2 0.114 4.074 3.960 -0.000 0.000 0.224 428 G HA3 0.114 4.074 3.960 -0.000 0.000 0.224 428 G C -1.657 173.226 174.900 -0.029 0.000 1.318 428 G CA -0.788 44.296 45.100 -0.028 0.000 1.016 428 G HN 0.858 nan 8.290 nan 0.000 0.469 429 N N 1.549 120.240 118.700 -0.015 0.000 2.482 429 N HA 0.361 5.101 4.740 -0.000 0.000 0.242 429 N C 1.481 176.986 175.510 -0.008 0.000 1.100 429 N CA -0.341 52.706 53.050 -0.006 0.000 0.946 429 N CB 0.327 38.820 38.487 0.010 0.000 1.227 429 N HN 0.437 nan 8.380 nan 0.000 0.508 430 L N 1.638 122.841 121.223 -0.033 0.000 2.610 430 L HA 0.101 4.441 4.340 -0.000 0.000 0.232 430 L C 2.096 178.938 176.870 -0.047 0.000 1.149 430 L CA 0.231 55.033 54.840 -0.063 0.000 0.872 430 L CB -0.253 41.734 42.059 -0.121 0.000 0.992 430 L HN 0.520 nan 8.230 nan 0.000 0.447 431 G N -0.808 107.992 108.800 -0.000 0.000 2.591 431 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.218 431 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.218 431 G C 0.872 175.698 174.900 -0.122 0.000 1.113 431 G CA 0.875 45.965 45.100 -0.016 0.000 0.740 431 G HN 0.523 nan 8.290 nan 0.000 0.569 432 H N -2.268 116.783 119.070 -0.032 0.000 3.650 432 H HA 0.210 4.766 4.556 -0.000 0.000 0.260 432 H C 0.110 175.414 175.328 -0.040 0.000 1.194 432 H CA -0.262 55.771 56.048 -0.024 0.000 1.135 432 H CB 0.762 30.510 29.762 -0.023 0.000 1.612 432 H HN 0.092 nan 8.280 nan 0.000 0.703 433 T N 4.983 119.542 114.554 0.008 0.000 2.779 433 T HA 0.136 4.486 4.350 -0.000 0.000 0.296 433 T C -2.178 172.467 174.700 -0.092 0.000 0.938 433 T CA -1.170 60.897 62.100 -0.055 0.000 1.119 433 T CB 1.185 69.989 68.868 -0.108 0.000 0.891 433 T HN 0.174 nan 8.240 nan 0.000 0.526 434 P HA 0.169 nan 4.420 nan 0.000 0.275 434 P C 0.133 177.409 177.300 -0.041 0.000 1.270 434 P CA -0.323 62.781 63.100 0.008 0.000 0.791 434 P CB 0.763 32.493 31.700 0.050 0.000 1.089 435 F N -1.115 118.823 119.950 -0.020 0.000 2.717 435 F HA 0.273 4.800 4.527 -0.000 0.000 0.297 435 F C 2.045 177.822 175.800 -0.039 0.000 1.113 435 F CA 0.205 58.185 58.000 -0.032 0.000 1.319 435 F CB 0.184 39.164 39.000 -0.032 0.000 1.097 435 F HN 0.245 nan 8.300 nan 0.000 0.595 436 I N -1.347 119.313 120.570 0.149 0.000 4.238 436 I HA -0.423 3.747 4.170 -0.000 0.000 0.218 436 I C 1.541 177.704 176.117 0.076 0.000 0.441 436 I CA 0.964 62.303 61.300 0.066 0.000 1.309 436 I CB -0.904 37.116 38.000 0.032 0.000 3.699 436 I HN -0.026 nan 8.210 nan 0.000 1.109 437 D N 1.485 121.939 120.400 0.089 0.000 2.127 437 D HA -0.224 4.416 4.640 -0.000 0.000 0.190 437 D C 1.678 178.014 176.300 0.060 0.000 1.000 437 D CA 2.495 56.521 54.000 0.045 0.000 0.839 437 D CB -0.036 40.777 40.800 0.021 0.000 0.955 437 D HN 0.657 nan 8.370 nan 0.000 0.446 438 E N -0.361 119.898 120.200 0.097 0.000 2.358 438 E HA 0.012 4.362 4.350 -0.000 0.000 0.195 438 E C 0.951 177.613 176.600 0.105 0.000 1.010 438 E CA -0.286 56.169 56.400 0.091 0.000 0.856 438 E CB 0.337 30.106 29.700 0.115 0.000 0.795 438 E HN 0.345 nan 8.360 nan 0.000 0.504 439 L N 0.000 121.301 121.223 0.130 0.000 2.949 439 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 439 L CA 0.000 54.962 54.840 0.203 0.000 0.813 439 L CB 0.000 42.191 42.059 0.220 0.000 0.961 439 L HN 0.000 nan 8.230 nan 0.000 0.502