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 1zvk_1_A DATA FIRST_RESID 4 DATA SEQUENCE TAYTPLDVAQ AYQFPEGLDG QGQCIAIIEL GGGYDEASLA QYFASLGVPA DATA SEQUENCE PQVVSVSVDG ASNQPTGDPS GPDGHVELDI EVAGALAPGA KFAVYFAPNT DATA SEQUENCE DAGFLDAITT AIHDPTLKPS VVSISWGGPE DSWTSAAIAA MNRAFLDAAA DATA SEQUENCE LGVTVLAAAG NSGSTDGEQD GLYHVDFPAA SPYVLACGGT RLVASGGRIA DATA SEQUENCE QETVWNDGPD GGATGGGVSR IFPLPAWQEH ANVPPSANPG ASSGRGVPDL DATA SEQUENCE AGNADPATGY EVVIDGEATV IGGTSAVAPL FAALVARINQ KLGKAVGYLN DATA SEQUENCE PTLYQLPADV FHDITEGNND IANRAQIYQA GPGWDPCTGL GSPIGVRLLQ DATA SEQUENCE ALLPS 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 4 T HA 0.000 nan 4.350 nan 0.000 0.228 4 T C 0.000 174.470 174.700 -0.384 0.000 1.109 4 T CA 0.000 61.925 62.100 -0.292 0.000 1.349 4 T CB 0.000 68.692 68.868 -0.293 0.000 0.612 5 A N 2.478 124.989 122.820 -0.515 0.000 2.566 5 A HA 0.816 5.114 4.320 -0.036 0.000 0.297 5 A C -2.278 174.986 177.584 -0.534 0.000 1.059 5 A CA -0.819 50.937 52.037 -0.468 0.000 0.691 5 A CB 1.208 20.079 19.000 -0.215 0.000 1.282 5 A HN 0.635 nan 8.150 nan 0.000 0.401 6 Y N 0.486 120.684 120.300 -0.169 0.000 2.468 6 Y HA 0.637 5.163 4.550 -0.039 0.000 0.342 6 Y C 1.293 177.143 175.900 -0.085 0.000 1.021 6 Y CA -0.229 57.771 58.100 -0.167 0.000 1.079 6 Y CB 1.921 40.205 38.460 -0.294 0.000 1.226 6 Y HN 0.823 nan 8.280 nan 0.000 0.460 7 T N -1.328 113.304 114.554 0.130 0.000 2.849 7 T HA 0.222 4.550 4.350 -0.036 0.000 0.284 7 T C -2.111 172.679 174.700 0.150 0.000 1.004 7 T CA -1.821 60.356 62.100 0.128 0.000 1.021 7 T CB 1.312 70.210 68.868 0.051 0.000 1.013 7 T HN 0.336 nan 8.240 nan 0.000 0.527 8 P HA -0.008 nan 4.420 nan 0.000 0.218 8 P C 1.430 178.739 177.300 0.015 0.000 1.148 8 P CA 0.439 63.658 63.100 0.198 0.000 0.822 8 P CB -0.074 31.756 31.700 0.218 0.000 0.784 9 L N -0.244 120.976 121.223 -0.005 0.000 2.083 9 L HA -0.167 4.151 4.340 -0.036 0.000 0.209 9 L C 1.835 178.632 176.870 -0.122 0.000 1.083 9 L CA 1.881 56.678 54.840 -0.071 0.000 0.752 9 L CB -1.354 40.679 42.059 -0.043 0.000 0.899 9 L HN -0.019 nan 8.230 nan 0.000 0.433 10 D N -0.954 119.391 120.400 -0.093 0.000 2.178 10 D HA -0.107 4.511 4.640 -0.036 0.000 0.202 10 D C 2.337 178.434 176.300 -0.338 0.000 0.974 10 D CA 1.076 54.989 54.000 -0.144 0.000 0.841 10 D CB -0.040 40.750 40.800 -0.017 0.000 0.953 10 D HN 0.185 nan 8.370 nan 0.000 0.478 11 V N 1.708 121.398 119.914 -0.373 0.000 2.307 11 V HA -0.177 3.921 4.120 -0.036 0.000 0.245 11 V C 2.628 178.403 176.094 -0.532 0.000 1.045 11 V CA 1.680 63.647 62.300 -0.554 0.000 1.024 11 V CB -0.852 30.762 31.823 -0.348 0.000 0.651 11 V HN 0.159 nan 8.190 nan 0.000 0.449 12 A N -0.945 121.571 122.820 -0.506 0.000 2.019 12 A HA -0.267 4.031 4.320 -0.036 0.000 0.219 12 A C 2.200 179.525 177.584 -0.431 0.000 1.164 12 A CA 1.795 53.289 52.037 -0.905 0.000 0.644 12 A CB -0.440 17.886 19.000 -1.122 0.000 0.805 12 A HN 0.632 nan 8.150 nan 0.000 0.449 13 Q N -0.919 118.708 119.800 -0.289 0.000 2.083 13 Q HA -0.047 4.271 4.340 -0.036 0.000 0.198 13 Q C 2.414 178.329 176.000 -0.143 0.000 0.969 13 Q CA 1.162 56.872 55.803 -0.154 0.000 0.838 13 Q CB -0.309 28.348 28.738 -0.135 0.000 0.900 13 Q HN 0.689 nan 8.270 nan 0.000 0.436 14 A N -0.014 122.635 122.820 -0.285 0.000 1.972 14 A HA -0.155 4.144 4.320 -0.036 0.000 0.219 14 A C 1.026 178.545 177.584 -0.108 0.000 1.169 14 A CA 1.078 52.937 52.037 -0.297 0.000 0.635 14 A CB -0.348 18.327 19.000 -0.542 0.000 0.810 14 A HN 0.358 nan 8.150 nan 0.000 0.446 15 Y N 0.094 120.406 120.300 0.019 0.000 2.470 15 Y HA 0.217 4.744 4.550 -0.039 0.000 0.284 15 Y C 0.465 176.504 175.900 0.231 0.000 1.188 15 Y CA -0.369 57.831 58.100 0.167 0.000 1.269 15 Y CB -1.036 37.642 38.460 0.364 0.000 1.094 15 Y HN 0.538 nan 8.280 nan 0.000 0.518 16 Q N -0.568 119.391 119.800 0.264 0.000 2.431 16 Q HA -0.233 4.085 4.340 -0.036 0.000 0.344 16 Q C -0.823 175.361 176.000 0.306 0.000 1.384 16 Q CA 0.141 56.064 55.803 0.200 0.000 0.984 16 Q CB -1.983 26.821 28.738 0.111 0.000 1.204 16 Q HN 0.171 nan 8.270 nan 0.000 0.392 17 F N 1.581 121.573 119.950 0.071 0.000 2.553 17 F HA 0.123 4.627 4.527 -0.038 0.000 0.356 17 F C -1.273 174.544 175.800 0.028 0.000 1.142 17 F CA -2.030 56.006 58.000 0.060 0.000 1.322 17 F CB -0.233 38.819 39.000 0.086 0.000 1.126 17 F HN 0.102 nan 8.300 nan 0.000 0.599 18 P HA 0.107 nan 4.420 nan 0.000 0.276 18 P C -0.706 176.648 177.300 0.090 0.000 1.235 18 P CA -0.163 62.981 63.100 0.074 0.000 0.772 18 P CB 0.660 32.366 31.700 0.010 0.000 0.871 19 E N 1.251 121.490 120.200 0.065 0.000 2.349 19 E HA 0.439 4.767 4.350 -0.036 0.000 0.262 19 E C 1.225 177.848 176.600 0.038 0.000 1.088 19 E CA 0.438 56.871 56.400 0.055 0.000 0.899 19 E CB -0.018 29.706 29.700 0.039 0.000 1.044 19 E HN 0.699 nan 8.360 nan 0.000 0.420 20 G N 1.054 109.874 108.800 0.034 0.000 2.153 20 G HA2 -0.268 3.670 3.960 -0.036 0.000 0.252 20 G HA3 -0.268 3.670 3.960 -0.036 0.000 0.252 20 G C -0.304 174.611 174.900 0.024 0.000 0.994 20 G CA 0.138 45.252 45.100 0.023 0.000 0.698 20 G HN 0.259 nan 8.290 nan 0.000 0.521 21 L N 0.356 121.601 121.223 0.036 0.000 2.385 21 L HA 0.596 4.914 4.340 -0.036 0.000 0.273 21 L C 0.000 176.900 176.870 0.049 0.000 0.990 21 L CA -0.457 54.402 54.840 0.032 0.000 0.821 21 L CB 2.006 44.080 42.059 0.025 0.000 1.279 21 L HN 0.203 nan 8.230 nan 0.000 0.412 22 D N 0.477 120.900 120.400 0.039 0.000 2.556 22 D HA 0.202 4.820 4.640 -0.036 0.000 0.237 22 D C 0.992 177.319 176.300 0.044 0.000 1.296 22 D CA 0.412 54.443 54.000 0.052 0.000 0.807 22 D CB 1.089 41.912 40.800 0.037 0.000 1.084 22 D HN 0.669 nan 8.370 nan 0.000 0.510 23 G N 0.752 109.565 108.800 0.022 0.000 2.175 23 G HA2 -0.341 3.597 3.960 -0.036 0.000 0.244 23 G HA3 -0.341 3.597 3.960 -0.036 0.000 0.244 23 G C 0.196 175.081 174.900 -0.025 0.000 0.982 23 G CA 0.144 45.239 45.100 -0.008 0.000 0.641 23 G HN 0.575 nan 8.290 nan 0.000 0.527 24 Q N -0.082 119.712 119.800 -0.010 0.000 2.368 24 Q HA 0.352 4.670 4.340 -0.036 0.000 0.331 24 Q C 1.646 177.634 176.000 -0.020 0.000 1.086 24 Q CA 2.353 58.148 55.803 -0.012 0.000 1.031 24 Q CB -0.178 28.558 28.738 -0.004 0.000 1.125 24 Q HN 1.863 nan 8.270 nan 0.000 0.389 25 G N 2.299 111.085 108.800 -0.022 0.000 2.162 25 G HA2 -0.233 3.705 3.960 -0.036 0.000 0.260 25 G HA3 -0.233 3.705 3.960 -0.036 0.000 0.260 25 G C -0.336 174.545 174.900 -0.032 0.000 0.976 25 G CA 0.271 45.358 45.100 -0.022 0.000 0.655 25 G HN 0.543 nan 8.290 nan 0.000 0.533 26 Q N -0.742 119.027 119.800 -0.052 0.000 2.345 26 Q HA 0.626 4.944 4.340 -0.036 0.000 0.268 26 Q C -0.369 175.565 176.000 -0.110 0.000 1.054 26 Q CA -0.516 55.245 55.803 -0.070 0.000 0.835 26 Q CB 2.184 30.876 28.738 -0.076 0.000 1.339 26 Q HN 0.545 nan 8.270 nan 0.000 0.447 27 C N 3.528 122.766 119.300 -0.103 0.000 2.340 27 C HA 0.670 5.109 4.460 -0.036 0.000 0.323 27 C C -0.506 174.400 174.990 -0.140 0.000 1.260 27 C CA -0.495 58.443 59.018 -0.133 0.000 1.464 27 C CB -0.452 27.257 27.740 -0.051 0.000 2.156 27 C HN 0.780 nan 8.230 nan 0.000 0.476 28 I N 5.602 126.009 120.570 -0.272 0.000 2.359 28 I HA 0.547 4.695 4.170 -0.036 0.000 0.294 28 I C 0.643 176.739 176.117 -0.034 0.000 0.987 28 I CA 0.046 61.233 61.300 -0.188 0.000 1.225 28 I CB 1.601 39.407 38.000 -0.323 0.000 1.366 28 I HN 0.827 nan 8.210 nan 0.000 0.466 29 A N 7.814 130.685 122.820 0.084 0.000 2.312 29 A HA 0.847 5.145 4.320 -0.036 0.000 0.326 29 A C -0.611 177.098 177.584 0.208 0.000 1.172 29 A CA -0.443 51.732 52.037 0.230 0.000 0.821 29 A CB 0.670 19.807 19.000 0.229 0.000 1.166 29 A HN 0.674 nan 8.150 nan 0.000 0.493 30 I N 3.303 124.031 120.570 0.263 0.000 2.478 30 I HA 0.267 4.415 4.170 -0.036 0.000 0.287 30 I C -0.897 175.320 176.117 0.166 0.000 1.042 30 I CA -0.603 60.815 61.300 0.196 0.000 1.067 30 I CB 1.747 39.852 38.000 0.174 0.000 1.233 30 I HN 0.416 nan 8.210 nan 0.000 0.431 31 I N 5.776 126.436 120.570 0.150 0.000 2.365 31 I HA 0.375 4.523 4.170 -0.036 0.000 0.291 31 I C 0.106 176.179 176.117 -0.072 0.000 1.004 31 I CA -0.314 61.026 61.300 0.068 0.000 1.311 31 I CB 0.868 38.966 38.000 0.163 0.000 1.401 31 I HN 0.497 nan 8.210 nan 0.000 0.491 32 E N 6.401 126.402 120.200 -0.332 0.000 2.292 32 E HA 0.398 4.726 4.350 -0.036 0.000 0.272 32 E C -0.142 176.047 176.600 -0.686 0.000 0.881 32 E CA -0.509 55.615 56.400 -0.460 0.000 0.754 32 E CB 2.747 32.166 29.700 -0.467 0.000 1.201 32 E HN 0.453 nan 8.360 nan 0.000 0.425 33 L N 0.723 121.168 121.223 -1.296 0.000 2.857 33 L HA 0.467 4.786 4.340 -0.036 0.000 0.249 33 L C 0.690 177.245 176.870 -0.525 0.000 1.172 33 L CA -0.172 54.049 54.840 -1.031 0.000 0.980 33 L CB 0.586 41.711 42.059 -1.558 0.000 1.299 33 L HN 0.551 nan 8.230 nan 0.000 0.535 34 G N -1.833 106.866 108.800 -0.169 0.000 2.368 34 G HA2 0.444 4.382 3.960 -0.036 0.000 0.293 34 G HA3 0.444 4.382 3.960 -0.036 0.000 0.293 34 G C -0.158 174.876 174.900 0.223 0.000 1.467 34 G CA -0.017 45.122 45.100 0.065 0.000 0.804 34 G HN 0.182 nan 8.290 nan 0.000 0.535 35 G N -0.744 108.141 108.800 0.142 0.000 2.574 35 G HA2 0.483 4.421 3.960 -0.036 0.000 0.286 35 G HA3 0.483 4.421 3.960 -0.036 0.000 0.286 35 G C 0.967 175.898 174.900 0.053 0.000 1.212 35 G CA 1.414 46.582 45.100 0.113 0.000 0.979 35 G HN 2.804 nan 8.290 nan 0.000 0.557 36 G N -2.744 106.132 108.800 0.126 0.000 2.342 36 G HA2 0.752 4.690 3.960 -0.036 0.000 0.297 36 G HA3 0.752 4.690 3.960 -0.036 0.000 0.297 36 G C -1.125 173.883 174.900 0.181 0.000 1.313 36 G CA 0.228 45.351 45.100 0.039 0.000 0.830 36 G HN 2.069 nan 8.290 nan 0.000 0.506 37 Y N -0.418 119.953 120.300 0.118 0.000 2.429 37 Y HA 0.730 5.258 4.550 -0.037 0.000 0.342 37 Y C -0.522 175.391 175.900 0.023 0.000 1.004 37 Y CA -1.978 56.169 58.100 0.079 0.000 1.075 37 Y CB 1.905 40.425 38.460 0.101 0.000 1.214 37 Y HN 0.421 nan 8.280 nan 0.000 0.455 38 D N 3.041 123.493 120.400 0.087 0.000 2.352 38 D HA 0.080 4.699 4.640 -0.036 0.000 0.245 38 D C 0.687 177.048 176.300 0.103 0.000 1.224 38 D CA 0.072 54.088 54.000 0.028 0.000 0.879 38 D CB 0.858 41.663 40.800 0.010 0.000 1.057 38 D HN 0.720 nan 8.370 nan 0.000 0.491 39 E N 2.847 123.110 120.200 0.106 0.000 2.160 39 E HA -0.228 4.100 4.350 -0.036 0.000 0.195 39 E C 1.665 178.317 176.600 0.086 0.000 0.991 39 E CA 1.112 57.606 56.400 0.156 0.000 0.810 39 E CB -0.021 29.757 29.700 0.129 0.000 0.742 39 E HN 0.667 nan 8.360 nan 0.000 0.466 40 A N 0.987 123.835 122.820 0.046 0.000 1.972 40 A HA -0.136 4.163 4.320 -0.036 0.000 0.219 40 A C 2.429 180.021 177.584 0.012 0.000 1.169 40 A CA 1.439 53.493 52.037 0.028 0.000 0.635 40 A CB -0.281 18.728 19.000 0.015 0.000 0.810 40 A HN 0.105 nan 8.150 nan 0.000 0.446 41 S N -0.135 115.564 115.700 -0.001 0.000 2.355 41 S HA -0.058 4.391 4.470 -0.036 0.000 0.222 41 S C 1.823 176.367 174.600 -0.093 0.000 1.031 41 S CA 1.400 59.577 58.200 -0.039 0.000 0.993 41 S CB -0.412 62.757 63.200 -0.052 0.000 0.859 41 S HN 0.534 nan 8.310 nan 0.000 0.453 42 L N 1.122 122.276 121.223 -0.115 0.000 2.093 42 L HA -0.089 4.229 4.340 -0.036 0.000 0.208 42 L C 2.801 179.553 176.870 -0.198 0.000 1.085 42 L CA 1.092 55.731 54.840 -0.335 0.000 0.755 42 L CB -0.788 41.155 42.059 -0.194 0.000 0.904 42 L HN 0.301 nan 8.230 nan 0.000 0.435 43 A N -0.107 122.719 122.820 0.011 0.000 1.883 43 A HA -0.305 3.994 4.320 -0.036 0.000 0.217 43 A C 2.304 179.928 177.584 0.067 0.000 1.186 43 A CA 2.076 54.168 52.037 0.092 0.000 0.624 43 A CB -0.669 18.381 19.000 0.082 0.000 0.822 43 A HN 0.503 nan 8.150 nan 0.000 0.444 44 Q N -2.175 117.644 119.800 0.032 0.000 2.079 44 Q HA -0.227 4.092 4.340 -0.036 0.000 0.200 44 Q C 1.976 177.998 176.000 0.036 0.000 0.974 44 Q CA 1.947 57.769 55.803 0.032 0.000 0.840 44 Q CB -0.338 28.416 28.738 0.026 0.000 0.898 44 Q HN 0.746 nan 8.270 nan 0.000 0.430 45 Y N 0.187 120.395 120.300 -0.154 0.000 2.133 45 Y HA -0.230 4.299 4.550 -0.035 0.000 0.287 45 Y C 1.635 177.493 175.900 -0.070 0.000 1.134 45 Y CA 1.732 59.722 58.100 -0.184 0.000 1.133 45 Y CB -0.470 37.769 38.460 -0.369 0.000 0.987 45 Y HN 0.126 nan 8.280 nan 0.000 0.502 46 F N 0.181 120.137 119.950 0.010 0.000 2.134 46 F HA -0.143 4.362 4.527 -0.037 0.000 0.299 46 F C 2.666 178.393 175.800 -0.122 0.000 1.097 46 F CA 1.062 58.999 58.000 -0.106 0.000 1.264 46 F CB -1.559 37.439 39.000 -0.003 0.000 1.001 46 F HN 0.166 nan 8.300 nan 0.000 0.479 47 A N 0.011 122.902 122.820 0.117 0.000 1.908 47 A HA -0.217 4.082 4.320 -0.036 0.000 0.218 47 A C 2.390 179.968 177.584 -0.010 0.000 1.181 47 A CA 2.234 54.300 52.037 0.048 0.000 0.627 47 A CB -1.268 17.759 19.000 0.045 0.000 0.818 47 A HN 0.414 nan 8.150 nan 0.000 0.445 48 S N -0.488 115.183 115.700 -0.048 0.000 2.474 48 S HA 0.017 4.465 4.470 -0.036 0.000 0.235 48 S C 1.518 176.055 174.600 -0.106 0.000 0.997 48 S CA 1.274 59.433 58.200 -0.070 0.000 0.949 48 S CB -0.471 62.687 63.200 -0.069 0.000 0.766 48 S HN 0.448 nan 8.310 nan 0.000 0.517 49 L N 0.533 121.664 121.223 -0.152 0.000 2.592 49 L HA 0.341 4.660 4.340 -0.036 0.000 0.227 49 L C 1.899 178.727 176.870 -0.070 0.000 1.127 49 L CA 0.369 55.121 54.840 -0.145 0.000 0.884 49 L CB -0.417 41.505 42.059 -0.229 0.000 1.065 49 L HN 0.588 nan 8.230 nan 0.000 0.457 50 G N 0.294 109.069 108.800 -0.042 0.000 2.159 50 G HA2 -0.248 3.691 3.960 -0.036 0.000 0.256 50 G HA3 -0.248 3.691 3.960 -0.036 0.000 0.256 50 G C 0.206 175.096 174.900 -0.016 0.000 0.977 50 G CA 0.081 45.168 45.100 -0.022 0.000 0.652 50 G HN 0.112 nan 8.290 nan 0.000 0.531 51 V N 2.137 122.043 119.914 -0.013 0.000 2.432 51 V HA 0.443 4.541 4.120 -0.036 0.000 0.275 51 V C -1.465 174.611 176.094 -0.030 0.000 1.043 51 V CA -1.511 60.772 62.300 -0.029 0.000 0.925 51 V CB 1.415 33.205 31.823 -0.054 0.000 0.985 51 V HN 0.136 nan 8.190 nan 0.000 0.466 52 P HA 0.140 nan 4.420 nan 0.000 0.264 52 P C -0.171 177.087 177.300 -0.070 0.000 1.193 52 P CA -0.032 63.050 63.100 -0.030 0.000 0.763 52 P CB 0.397 32.083 31.700 -0.023 0.000 0.810 53 A N 6.198 129.007 122.820 -0.018 0.000 2.550 53 A HA 0.162 4.460 4.320 -0.036 0.000 0.263 53 A C -1.547 175.991 177.584 -0.075 0.000 1.065 53 A CA -0.508 51.521 52.037 -0.014 0.000 0.786 53 A CB -1.284 17.763 19.000 0.078 0.000 0.985 53 A HN 0.404 nan 8.150 nan 0.000 0.518 54 P HA 0.168 nan 4.420 nan 0.000 0.277 54 P C -0.502 176.816 177.300 0.030 0.000 1.240 54 P CA -0.485 62.554 63.100 -0.102 0.000 0.798 54 P CB 0.565 32.123 31.700 -0.237 0.000 0.979 55 Q N 1.044 120.906 119.800 0.103 0.000 2.281 55 Q HA 0.289 4.607 4.340 -0.036 0.000 0.267 55 Q C -1.073 175.037 176.000 0.183 0.000 1.053 55 Q CA -0.227 55.648 55.803 0.120 0.000 0.905 55 Q CB 0.198 28.992 28.738 0.094 0.000 1.195 55 Q HN 0.194 nan 8.270 nan 0.000 0.398 56 V N 5.862 125.864 119.914 0.146 0.000 2.378 56 V HA 0.452 4.550 4.120 -0.036 0.000 0.288 56 V C -0.281 175.908 176.094 0.158 0.000 1.016 56 V CA -0.715 61.666 62.300 0.135 0.000 0.840 56 V CB 1.250 33.081 31.823 0.013 0.000 0.994 56 V HN 0.633 nan 8.190 nan 0.000 0.431 57 V N 1.824 121.826 119.914 0.147 0.000 2.823 57 V HA 0.835 4.933 4.120 -0.036 0.000 0.312 57 V C -0.181 176.006 176.094 0.155 0.000 1.072 57 V CA -0.411 61.977 62.300 0.146 0.000 0.937 57 V CB 2.178 34.047 31.823 0.078 0.000 1.013 57 V HN 0.644 nan 8.190 nan 0.000 0.430 58 S N 1.869 117.687 115.700 0.196 0.000 2.549 58 S HA 0.825 5.273 4.470 -0.036 0.000 0.297 58 S C -0.549 174.087 174.600 0.059 0.000 1.115 58 S CA -0.546 57.790 58.200 0.226 0.000 1.059 58 S CB 1.705 65.130 63.200 0.375 0.000 1.046 58 S HN 0.829 nan 8.310 nan 0.000 0.506 59 V N 2.448 122.344 119.914 -0.030 0.000 2.444 59 V HA 0.454 4.552 4.120 -0.036 0.000 0.294 59 V C 0.154 176.313 176.094 0.107 0.000 1.022 59 V CA -0.772 61.495 62.300 -0.055 0.000 0.850 59 V CB 1.752 33.390 31.823 -0.309 0.000 0.992 59 V HN 0.861 nan 8.190 nan 0.000 0.426 60 S N 4.560 120.331 115.700 0.118 0.000 2.528 60 S HA 0.587 5.036 4.470 -0.036 0.000 0.277 60 S C -0.567 174.118 174.600 0.142 0.000 1.297 60 S CA -0.292 57.989 58.200 0.135 0.000 1.052 60 S CB 0.801 64.045 63.200 0.073 0.000 0.917 60 S HN 0.534 nan 8.310 nan 0.000 0.492 61 V N 4.807 124.812 119.914 0.151 0.000 2.588 61 V HA 0.373 4.472 4.120 -0.036 0.000 0.304 61 V C -0.605 175.543 176.094 0.089 0.000 1.042 61 V CA -0.781 61.597 62.300 0.131 0.000 0.877 61 V CB 1.640 33.556 31.823 0.155 0.000 0.996 61 V HN 1.005 nan 8.190 nan 0.000 0.425 62 D N 3.894 124.336 120.400 0.069 0.000 2.686 62 D HA -0.191 4.427 4.640 -0.036 0.000 0.235 62 D C 1.364 177.687 176.300 0.038 0.000 1.160 62 D CA 1.868 55.897 54.000 0.048 0.000 0.645 62 D CB -1.128 39.699 40.800 0.044 0.000 1.039 62 D HN 1.473 nan 8.370 nan 0.000 0.423 63 G N -1.687 107.136 108.800 0.038 0.000 2.212 63 G HA2 -0.184 3.755 3.960 -0.036 0.000 0.266 63 G HA3 -0.184 3.755 3.960 -0.036 0.000 0.266 63 G C 0.563 175.474 174.900 0.019 0.000 0.978 63 G CA 0.798 45.911 45.100 0.023 0.000 0.632 63 G HN 1.237 nan 8.290 nan 0.000 0.537 64 A N -0.253 122.589 122.820 0.038 0.000 2.304 64 A HA 0.903 5.201 4.320 -0.036 0.000 0.271 64 A C 0.653 178.258 177.584 0.036 0.000 1.091 64 A CA 1.007 53.065 52.037 0.035 0.000 0.812 64 A CB 0.972 20.012 19.000 0.067 0.000 1.056 64 A HN 2.041 nan 8.150 nan 0.000 0.489 65 S N 0.209 115.865 115.700 -0.073 0.000 2.705 65 S HA 0.478 4.927 4.470 -0.036 0.000 0.280 65 S C -0.760 173.423 174.600 -0.694 0.000 1.174 65 S CA -0.928 57.149 58.200 -0.204 0.000 0.823 65 S CB 0.885 63.992 63.200 -0.154 0.000 1.162 65 S HN 0.761 nan 8.310 nan 0.000 0.487 66 N N 1.321 119.484 118.700 -0.895 0.000 2.416 66 N HA 0.212 4.930 4.740 -0.036 0.000 0.265 66 N C -1.140 173.947 175.510 -0.705 0.000 1.195 66 N CA 0.140 52.373 53.050 -1.362 0.000 0.943 66 N CB -0.267 37.679 38.487 -0.901 0.000 1.115 66 N HN 0.614 nan 8.380 nan 0.000 0.481 67 Q N 4.202 123.655 119.800 -0.578 0.000 2.891 67 Q HA 0.324 4.643 4.340 -0.036 0.000 0.242 67 Q C -2.510 173.370 176.000 -0.201 0.000 0.959 67 Q CA -1.691 53.926 55.803 -0.309 0.000 0.707 67 Q CB 1.839 30.447 28.738 -0.217 0.000 1.283 67 Q HN 0.522 nan 8.270 nan 0.000 0.480 68 P HA -0.050 nan 4.420 nan 0.000 0.271 68 P C 0.586 177.848 177.300 -0.064 0.000 1.220 68 P CA 0.181 63.226 63.100 -0.092 0.000 0.768 68 P CB 1.437 33.077 31.700 -0.099 0.000 0.848 69 T N -0.912 113.624 114.554 -0.029 0.000 3.057 69 T HA 0.241 4.570 4.350 -0.036 0.000 0.254 69 T C 1.358 176.048 174.700 -0.016 0.000 1.094 69 T CA 0.906 62.993 62.100 -0.022 0.000 1.088 69 T CB -0.564 68.301 68.868 -0.006 0.000 0.934 69 T HN 0.591 nan 8.240 nan 0.000 0.497 70 G N 1.241 110.034 108.800 -0.011 0.000 2.213 70 G HA2 -0.198 3.741 3.960 -0.036 0.000 0.226 70 G HA3 -0.198 3.741 3.960 -0.036 0.000 0.226 70 G C -0.190 174.708 174.900 -0.003 0.000 0.992 70 G CA 0.007 45.101 45.100 -0.010 0.000 0.632 70 G HN 0.724 nan 8.290 nan 0.000 0.511 71 D N 1.612 122.014 120.400 0.003 0.000 2.365 71 D HA 0.496 5.115 4.640 -0.036 0.000 0.237 71 D C -0.375 175.932 176.300 0.012 0.000 1.190 71 D CA -2.068 51.936 54.000 0.008 0.000 0.867 71 D CB 1.424 42.232 40.800 0.012 0.000 1.050 71 D HN 0.151 nan 8.370 nan 0.000 0.491 72 P HA -0.082 nan 4.420 nan 0.000 0.223 72 P C 0.738 178.041 177.300 0.004 0.000 1.151 72 P CA 0.640 63.741 63.100 0.001 0.000 0.787 72 P CB 0.044 31.739 31.700 -0.008 0.000 0.788 73 S N -1.812 113.893 115.700 0.008 0.000 2.660 73 S HA 0.368 4.817 4.470 -0.036 0.000 0.227 73 S C 1.018 175.633 174.600 0.024 0.000 0.948 73 S CA -0.209 57.998 58.200 0.011 0.000 0.948 73 S CB -0.645 62.560 63.200 0.009 0.000 0.779 73 S HN 0.134 nan 8.310 nan 0.000 0.487 74 G N 1.835 110.655 108.800 0.035 0.000 2.938 74 G HA2 0.557 4.495 3.960 -0.036 0.000 0.258 74 G HA3 0.557 4.495 3.960 -0.036 0.000 0.258 74 G C -2.089 172.862 174.900 0.086 0.000 1.356 74 G CA -1.629 43.505 45.100 0.056 0.000 1.052 74 G HN 0.119 nan 8.290 nan 0.000 0.550 75 P HA 0.009 nan 4.420 nan 0.000 0.231 75 P C 0.457 177.876 177.300 0.199 0.000 1.158 75 P CA 0.715 63.940 63.100 0.207 0.000 0.763 75 P CB 0.258 32.119 31.700 0.268 0.000 0.805 76 D N 0.312 120.791 120.400 0.132 0.000 2.144 76 D HA -0.105 4.514 4.640 -0.036 0.000 0.199 76 D C 2.322 178.688 176.300 0.110 0.000 0.984 76 D CA 1.636 55.711 54.000 0.124 0.000 0.834 76 D CB -1.044 39.798 40.800 0.070 0.000 0.955 76 D HN 0.186 nan 8.370 nan 0.000 0.465 77 G N -0.609 108.235 108.800 0.074 0.000 2.422 77 G HA2 -0.307 3.631 3.960 -0.036 0.000 0.218 77 G HA3 -0.307 3.631 3.960 -0.036 0.000 0.218 77 G C 1.459 176.386 174.900 0.044 0.000 1.146 77 G CA 1.057 46.173 45.100 0.026 0.000 0.769 77 G HN 0.413 nan 8.290 nan 0.000 0.547 78 H N -0.388 118.658 119.070 -0.039 0.000 2.290 78 H HA -0.084 4.452 4.556 -0.033 0.000 0.298 78 H C 2.686 178.000 175.328 -0.022 0.000 1.087 78 H CA 1.379 57.360 56.048 -0.111 0.000 1.291 78 H CB 0.157 29.775 29.762 -0.240 0.000 1.369 78 H HN 0.165 nan 8.280 nan 0.000 0.492 79 V N 0.812 120.887 119.914 0.269 0.000 2.261 79 V HA -0.225 3.873 4.120 -0.036 0.000 0.246 79 V C 2.079 178.258 176.094 0.142 0.000 1.047 79 V CA 2.251 64.697 62.300 0.244 0.000 1.015 79 V CB -0.476 31.563 31.823 0.360 0.000 0.642 79 V HN 0.490 nan 8.190 nan 0.000 0.446 80 E N -0.130 120.126 120.200 0.094 0.000 2.150 80 E HA -0.207 4.122 4.350 -0.036 0.000 0.193 80 E C 2.075 178.607 176.600 -0.112 0.000 0.985 80 E CA 1.116 57.505 56.400 -0.019 0.000 0.814 80 E CB -0.233 29.439 29.700 -0.046 0.000 0.752 80 E HN 0.459 nan 8.360 nan 0.000 0.466 81 L N 1.609 122.774 121.223 -0.097 0.000 2.012 81 L HA -0.237 4.081 4.340 -0.036 0.000 0.210 81 L C 1.542 178.338 176.870 -0.124 0.000 1.073 81 L CA 1.959 56.706 54.840 -0.155 0.000 0.748 81 L CB -0.367 41.593 42.059 -0.166 0.000 0.891 81 L HN -0.001 nan 8.230 nan 0.000 0.431 82 D N -0.102 120.278 120.400 -0.034 0.000 2.106 82 D HA -0.238 4.380 4.640 -0.036 0.000 0.191 82 D C 2.268 178.557 176.300 -0.018 0.000 0.997 82 D CA 2.351 56.353 54.000 0.003 0.000 0.834 82 D CB -0.190 40.664 40.800 0.090 0.000 0.956 82 D HN 0.499 nan 8.370 nan 0.000 0.448 83 I N 0.840 121.377 120.570 -0.054 0.000 2.233 83 I HA -0.178 3.970 4.170 -0.036 0.000 0.243 83 I C 2.339 178.416 176.117 -0.066 0.000 1.093 83 I CA 0.879 62.104 61.300 -0.125 0.000 1.380 83 I CB -0.282 37.599 38.000 -0.198 0.000 1.067 83 I HN -0.048 nan 8.210 nan 0.000 0.413 84 E N 0.606 120.742 120.200 -0.107 0.000 2.077 84 E HA -0.184 4.144 4.350 -0.036 0.000 0.193 84 E C 2.356 179.062 176.600 0.176 0.000 0.989 84 E CA 1.354 57.734 56.400 -0.034 0.000 0.800 84 E CB -0.055 29.293 29.700 -0.587 0.000 0.746 84 E HN 0.263 nan 8.360 nan 0.000 0.452 85 V N 1.094 121.007 119.914 -0.001 0.000 2.307 85 V HA -0.256 3.842 4.120 -0.036 0.000 0.245 85 V C 2.231 178.377 176.094 0.087 0.000 1.045 85 V CA 1.908 64.216 62.300 0.014 0.000 1.024 85 V CB -0.570 31.142 31.823 -0.185 0.000 0.651 85 V HN 0.327 nan 8.190 nan 0.000 0.449 86 A N 0.301 123.168 122.820 0.078 0.000 1.872 86 A HA 0.000 4.299 4.320 -0.036 0.000 0.214 86 A C 2.389 180.071 177.584 0.163 0.000 1.187 86 A CA 1.635 53.787 52.037 0.191 0.000 0.614 86 A CB -1.173 18.013 19.000 0.310 0.000 0.826 86 A HN 0.519 nan 8.150 nan 0.000 0.442 87 G N -0.586 108.094 108.800 -0.200 0.000 2.448 87 G HA2 0.067 4.005 3.960 -0.036 0.000 0.219 87 G HA3 0.067 4.005 3.960 -0.036 0.000 0.219 87 G C 1.540 176.300 174.900 -0.234 0.000 1.127 87 G CA 1.178 45.940 45.100 -0.562 0.000 0.766 87 G HN 0.769 nan 8.290 nan 0.000 0.552 88 A N -0.315 122.576 122.820 0.118 0.000 2.066 88 A HA 0.284 4.582 4.320 -0.036 0.000 0.218 88 A C 2.014 179.646 177.584 0.080 0.000 1.157 88 A CA 0.932 53.056 52.037 0.144 0.000 0.670 88 A CB -0.048 19.133 19.000 0.302 0.000 0.804 88 A HN 0.305 nan 8.150 nan 0.000 0.453 89 L N -2.535 118.767 121.223 0.132 0.000 2.672 89 L HA 0.402 4.720 4.340 -0.036 0.000 0.236 89 L C 1.327 178.324 176.870 0.211 0.000 1.092 89 L CA 0.975 55.917 54.840 0.170 0.000 0.887 89 L CB 0.097 42.294 42.059 0.230 0.000 1.168 89 L HN 0.284 nan 8.230 nan 0.000 0.502 90 A N 0.024 122.988 122.820 0.240 0.000 3.105 90 A HA 0.495 4.794 4.320 -0.036 0.000 0.297 90 A C -1.733 175.991 177.584 0.234 0.000 0.977 90 A CA -0.590 51.577 52.037 0.217 0.000 1.020 90 A CB -0.114 19.003 19.000 0.196 0.000 1.098 90 A HN 0.033 nan 8.150 nan 0.000 0.497 91 P HA -0.071 nan 4.420 nan 0.000 0.230 91 P C 1.388 178.729 177.300 0.068 0.000 1.158 91 P CA 1.519 64.644 63.100 0.042 0.000 0.769 91 P CB 0.086 31.720 31.700 -0.110 0.000 0.807 92 G N -0.116 108.718 108.800 0.057 0.000 2.623 92 G HA2 0.161 4.099 3.960 -0.036 0.000 0.214 92 G HA3 0.161 4.099 3.960 -0.036 0.000 0.214 92 G C 0.751 175.656 174.900 0.009 0.000 1.138 92 G CA 0.334 45.451 45.100 0.027 0.000 0.794 92 G HN 0.458 nan 8.290 nan 0.000 0.535 93 A N 0.053 122.866 122.820 -0.012 0.000 2.322 93 A HA 0.565 4.863 4.320 -0.036 0.000 0.269 93 A C 0.385 177.845 177.584 -0.205 0.000 1.094 93 A CA -0.500 51.428 52.037 -0.180 0.000 0.807 93 A CB 0.514 19.285 19.000 -0.381 0.000 1.047 93 A HN 0.250 nan 8.150 nan 0.000 0.487 94 K N 1.441 121.714 120.400 -0.211 0.000 2.297 94 K HA 0.401 4.700 4.320 -0.036 0.000 0.286 94 K C -1.658 174.780 176.600 -0.269 0.000 1.053 94 K CA -0.085 56.141 56.287 -0.101 0.000 0.940 94 K CB 0.197 32.674 32.500 -0.038 0.000 1.019 94 K HN 0.430 nan 8.250 nan 0.000 0.475 95 F N 2.613 122.563 119.950 -0.001 0.000 2.410 95 F HA 0.390 4.894 4.527 -0.037 0.000 0.349 95 F C 0.363 176.157 175.800 -0.009 0.000 1.117 95 F CA -0.625 57.376 58.000 0.000 0.000 1.104 95 F CB 1.819 40.805 39.000 -0.022 0.000 1.122 95 F HN 0.546 nan 8.300 nan 0.000 0.483 96 A N 3.891 126.773 122.820 0.103 0.000 2.267 96 A HA 0.694 4.992 4.320 -0.036 0.000 0.315 96 A C -1.032 176.521 177.584 -0.051 0.000 1.297 96 A CA -0.630 51.392 52.037 -0.024 0.000 0.865 96 A CB 0.395 19.360 19.000 -0.059 0.000 1.165 96 A HN 0.523 nan 8.150 nan 0.000 0.513 97 V N 3.706 123.553 119.914 -0.111 0.000 2.350 97 V HA 0.224 4.322 4.120 -0.036 0.000 0.276 97 V C -0.974 174.941 176.094 -0.298 0.000 1.028 97 V CA -0.322 61.905 62.300 -0.121 0.000 0.860 97 V CB 0.057 31.851 31.823 -0.047 0.000 0.990 97 V HN 0.712 nan 8.190 nan 0.000 0.453 98 Y N 4.809 125.015 120.300 -0.157 0.000 2.425 98 Y HA 0.526 5.054 4.550 -0.037 0.000 0.347 98 Y C -0.070 175.673 175.900 -0.261 0.000 0.976 98 Y CA -0.534 57.505 58.100 -0.100 0.000 1.190 98 Y CB 0.595 39.037 38.460 -0.030 0.000 1.136 98 Y HN 0.506 nan 8.280 nan 0.000 0.517 99 F N 2.542 122.556 119.950 0.106 0.000 2.415 99 F HA 0.700 5.205 4.527 -0.037 0.000 0.348 99 F C 0.385 176.189 175.800 0.006 0.000 1.119 99 F CA -0.594 57.420 58.000 0.023 0.000 1.069 99 F CB 1.114 40.117 39.000 0.005 0.000 1.124 99 F HN 0.512 nan 8.300 nan 0.000 0.472 100 A N 4.548 127.415 122.820 0.078 0.000 2.479 100 A HA 0.881 5.179 4.320 -0.036 0.000 0.296 100 A C -2.805 174.764 177.584 -0.026 0.000 1.121 100 A CA -2.012 50.044 52.037 0.032 0.000 0.743 100 A CB 1.464 20.471 19.000 0.012 0.000 1.323 100 A HN 0.394 nan 8.150 nan 0.000 0.415 101 P HA 0.066 nan 4.420 nan 0.000 0.272 101 P C -0.489 176.759 177.300 -0.087 0.000 1.223 101 P CA -0.175 62.902 63.100 -0.037 0.000 0.784 101 P CB 0.364 32.057 31.700 -0.012 0.000 0.923 102 N N 1.233 119.871 118.700 -0.105 0.000 3.127 102 N HA 0.037 4.755 4.740 -0.036 0.000 0.317 102 N C -0.422 175.043 175.510 -0.075 0.000 1.242 102 N CA 0.156 53.123 53.050 -0.139 0.000 1.203 102 N CB -0.892 37.537 38.487 -0.097 0.000 1.462 102 N HN 0.428 nan 8.380 nan 0.000 0.546 103 T N -3.411 111.114 114.554 -0.049 0.000 2.901 103 T HA 0.336 4.665 4.350 -0.036 0.000 0.293 103 T C 0.541 175.262 174.700 0.035 0.000 1.084 103 T CA -0.800 61.288 62.100 -0.020 0.000 1.008 103 T CB 1.316 70.179 68.868 -0.008 0.000 1.170 103 T HN -0.152 nan 8.240 nan 0.000 0.509 104 D N 0.622 121.025 120.400 0.006 0.000 2.224 104 D HA 0.082 4.701 4.640 -0.036 0.000 0.205 104 D C 2.233 178.630 176.300 0.162 0.000 0.965 104 D CA 1.397 55.445 54.000 0.080 0.000 0.852 104 D CB -0.483 40.238 40.800 -0.132 0.000 0.947 104 D HN 0.732 nan 8.370 nan 0.000 0.494 105 A N 0.702 123.576 122.820 0.090 0.000 1.930 105 A HA 0.027 4.326 4.320 -0.036 0.000 0.217 105 A C 2.330 179.968 177.584 0.090 0.000 1.175 105 A CA 1.856 53.941 52.037 0.081 0.000 0.627 105 A CB -0.918 18.110 19.000 0.047 0.000 0.815 105 A HN 0.293 nan 8.150 nan 0.000 0.443 106 G N -1.078 107.775 108.800 0.089 0.000 2.404 106 G HA2 -0.170 3.768 3.960 -0.036 0.000 0.215 106 G HA3 -0.170 3.768 3.960 -0.036 0.000 0.215 106 G C 1.451 176.441 174.900 0.150 0.000 1.174 106 G CA 1.054 46.203 45.100 0.082 0.000 0.780 106 G HN 0.366 nan 8.290 nan 0.000 0.537 107 F N 1.533 121.481 119.950 -0.004 0.000 2.095 107 F HA -0.074 4.430 4.527 -0.039 0.000 0.298 107 F C 2.376 178.213 175.800 0.062 0.000 1.104 107 F CA 1.197 59.216 58.000 0.031 0.000 1.232 107 F CB -0.922 38.152 39.000 0.124 0.000 0.987 107 F HN 0.130 nan 8.300 nan 0.000 0.475 108 L N 0.921 122.243 121.223 0.165 0.000 2.013 108 L HA -0.240 4.078 4.340 -0.036 0.000 0.212 108 L C 1.974 178.840 176.870 -0.007 0.000 1.073 108 L CA 2.374 57.215 54.840 0.002 0.000 0.753 108 L CB -1.306 40.764 42.059 0.019 0.000 0.890 108 L HN 0.016 nan 8.230 nan 0.000 0.432 109 D N -0.167 120.259 120.400 0.044 0.000 2.144 109 D HA -0.098 4.521 4.640 -0.036 0.000 0.200 109 D C 2.214 178.527 176.300 0.023 0.000 0.978 109 D CA 1.443 55.462 54.000 0.031 0.000 0.833 109 D CB -0.221 40.610 40.800 0.052 0.000 0.961 109 D HN 0.534 nan 8.370 nan 0.000 0.470 110 A N 0.510 123.364 122.820 0.055 0.000 1.930 110 A HA -0.110 4.188 4.320 -0.036 0.000 0.217 110 A C 2.333 179.849 177.584 -0.113 0.000 1.175 110 A CA 0.780 52.835 52.037 0.030 0.000 0.627 110 A CB -0.617 18.436 19.000 0.088 0.000 0.815 110 A HN 0.183 nan 8.150 nan 0.000 0.443 111 I N 0.241 120.776 120.570 -0.057 0.000 2.202 111 I HA -0.220 3.928 4.170 -0.036 0.000 0.242 111 I C 2.815 178.787 176.117 -0.242 0.000 1.091 111 I CA 1.837 63.059 61.300 -0.130 0.000 1.368 111 I CB -0.421 37.524 38.000 -0.092 0.000 1.058 111 I HN 0.536 nan 8.210 nan 0.000 0.410 112 T N -2.968 111.456 114.554 -0.218 0.000 2.951 112 T HA -0.100 4.228 4.350 -0.036 0.000 0.268 112 T C 1.782 176.349 174.700 -0.222 0.000 1.073 112 T CA 1.465 63.386 62.100 -0.298 0.000 1.134 112 T CB -0.678 68.100 68.868 -0.150 0.000 0.884 112 T HN 0.191 nan 8.240 nan 0.000 0.479 113 T N 2.206 116.673 114.554 -0.144 0.000 2.708 113 T HA 0.037 4.365 4.350 -0.036 0.000 0.266 113 T C 2.462 177.028 174.700 -0.224 0.000 1.037 113 T CA 1.407 63.458 62.100 -0.082 0.000 1.146 113 T CB -0.851 68.026 68.868 0.015 0.000 0.865 113 T HN 0.614 nan 8.240 nan 0.000 0.435 114 A N 1.197 123.649 122.820 -0.613 0.000 1.851 114 A HA -0.060 4.239 4.320 -0.036 0.000 0.216 114 A C 2.307 179.730 177.584 -0.269 0.000 1.195 114 A CA 1.467 53.081 52.037 -0.705 0.000 0.622 114 A CB -0.923 17.576 19.000 -0.835 0.000 0.831 114 A HN 0.509 nan 8.150 nan 0.000 0.444 115 I N -1.088 119.313 120.570 -0.283 0.000 2.208 115 I HA -0.285 3.863 4.170 -0.036 0.000 0.245 115 I C 1.899 177.931 176.117 -0.141 0.000 1.097 115 I CA 1.650 62.805 61.300 -0.241 0.000 1.363 115 I CB -0.407 37.352 38.000 -0.401 0.000 1.051 115 I HN 0.472 nan 8.210 nan 0.000 0.413 116 H N -0.930 118.107 119.070 -0.055 0.000 2.526 116 H HA 0.057 4.592 4.556 -0.035 0.000 0.274 116 H C 0.284 175.612 175.328 -0.000 0.000 0.999 116 H CA -0.456 55.575 56.048 -0.027 0.000 1.157 116 H CB -0.025 29.720 29.762 -0.029 0.000 1.407 116 H HN 0.113 nan 8.280 nan 0.000 0.568 117 D N 2.858 123.322 120.400 0.106 0.000 2.368 117 D HA -0.043 4.575 4.640 -0.036 0.000 0.268 117 D C -1.387 174.970 176.300 0.095 0.000 1.298 117 D CA -1.297 52.775 54.000 0.119 0.000 0.938 117 D CB 1.084 41.982 40.800 0.164 0.000 1.101 117 D HN 0.280 nan 8.370 nan 0.000 0.509 118 P HA -0.018 nan 4.420 nan 0.000 0.241 118 P C 0.804 178.136 177.300 0.052 0.000 1.191 118 P CA 0.420 63.554 63.100 0.058 0.000 0.771 118 P CB 0.676 32.403 31.700 0.045 0.000 0.929 119 T N -0.637 113.955 114.554 0.065 0.000 3.085 119 T HA 0.205 4.533 4.350 -0.036 0.000 0.241 119 T C 1.734 176.466 174.700 0.055 0.000 0.988 119 T CA 0.382 62.514 62.100 0.054 0.000 1.117 119 T CB -0.299 68.602 68.868 0.054 0.000 0.978 119 T HN -0.001 nan 8.240 nan 0.000 0.454 120 L N 0.540 121.809 121.223 0.076 0.000 2.307 120 L HA 0.268 4.587 4.340 -0.036 0.000 0.211 120 L C 0.341 177.252 176.870 0.068 0.000 1.099 120 L CA 0.234 55.120 54.840 0.076 0.000 0.816 120 L CB -0.423 41.702 42.059 0.110 0.000 0.952 120 L HN 0.173 nan 8.230 nan 0.000 0.455 121 K N 0.770 121.213 120.400 0.072 0.000 3.777 121 K HA -0.162 4.136 4.320 -0.036 0.000 0.276 121 K C -2.222 174.399 176.600 0.034 0.000 0.877 121 K CA -0.294 56.023 56.287 0.049 0.000 0.724 121 K CB -1.455 31.065 32.500 0.034 0.000 1.589 121 K HN 0.263 nan 8.250 nan 0.000 0.444 122 P HA -0.035 nan 4.420 nan 0.000 0.271 122 P C 0.446 177.747 177.300 0.002 0.000 1.218 122 P CA -0.003 63.112 63.100 0.024 0.000 0.780 122 P CB 1.339 33.074 31.700 0.058 0.000 0.901 123 S N 0.713 116.405 115.700 -0.014 0.000 2.556 123 S HA 0.234 4.683 4.470 -0.036 0.000 0.216 123 S C 0.421 175.017 174.600 -0.008 0.000 0.970 123 S CA -0.161 58.032 58.200 -0.012 0.000 0.912 123 S CB -0.157 63.031 63.200 -0.019 0.000 0.790 123 S HN 0.275 nan 8.310 nan 0.000 0.504 124 V N 1.040 120.950 119.914 -0.007 0.000 2.888 124 V HA 0.558 4.657 4.120 -0.036 0.000 0.309 124 V C -1.067 175.042 176.094 0.025 0.000 1.114 124 V CA -0.782 61.523 62.300 0.008 0.000 0.940 124 V CB 2.094 33.919 31.823 0.004 0.000 1.021 124 V HN 0.129 nan 8.190 nan 0.000 0.426 125 V N 2.457 122.394 119.914 0.039 0.000 2.483 125 V HA 0.528 4.626 4.120 -0.036 0.000 0.297 125 V C -0.044 176.101 176.094 0.085 0.000 1.027 125 V CA -0.317 62.019 62.300 0.060 0.000 0.855 125 V CB 2.009 33.860 31.823 0.047 0.000 0.995 125 V HN 0.879 nan 8.190 nan 0.000 0.424 126 S N 5.894 121.665 115.700 0.118 0.000 2.429 126 S HA 0.765 5.213 4.470 -0.036 0.000 0.302 126 S C -0.703 174.002 174.600 0.174 0.000 1.115 126 S CA -0.378 57.902 58.200 0.133 0.000 1.095 126 S CB 0.259 63.545 63.200 0.142 0.000 0.987 126 S HN 0.535 nan 8.310 nan 0.000 0.474 127 I N 4.159 124.837 120.570 0.180 0.000 2.498 127 I HA 0.360 4.508 4.170 -0.036 0.000 0.290 127 I C 0.113 176.380 176.117 0.250 0.000 1.032 127 I CA -0.394 61.074 61.300 0.279 0.000 1.073 127 I CB 2.366 40.564 38.000 0.330 0.000 1.251 127 I HN 0.725 nan 8.210 nan 0.000 0.426 128 S N 2.745 118.623 115.700 0.297 0.000 2.941 128 S HA 0.360 4.809 4.470 -0.036 0.000 0.248 128 S C -1.228 173.406 174.600 0.057 0.000 0.962 128 S CA -0.665 57.625 58.200 0.150 0.000 1.092 128 S CB -0.235 62.999 63.200 0.057 0.000 1.113 128 S HN 0.543 nan 8.310 nan 0.000 0.512 129 W N 0.275 121.689 121.300 0.190 0.000 2.864 129 W HA 0.840 5.482 4.660 -0.030 0.000 0.343 129 W C 0.531 177.251 176.519 0.335 0.000 1.109 129 W CA 0.036 57.438 57.345 0.096 0.000 1.192 129 W CB 1.796 31.008 29.460 -0.413 0.000 1.426 129 W HN 0.549 nan 8.180 nan 0.000 0.529 130 G N -0.297 108.887 108.800 0.640 0.000 2.317 130 G HA2 0.541 4.479 3.960 -0.036 0.000 0.293 130 G HA3 0.541 4.479 3.960 -0.036 0.000 0.293 130 G C -1.152 174.127 174.900 0.633 0.000 1.287 130 G CA 0.004 45.596 45.100 0.820 0.000 0.850 130 G HN 1.065 nan 8.290 nan 0.000 0.515 131 G N -1.099 108.145 108.800 0.739 0.000 2.623 131 G HA2 0.766 4.704 3.960 -0.036 0.000 0.290 131 G HA3 0.766 4.704 3.960 -0.036 0.000 0.290 131 G C -3.351 171.903 174.900 0.590 0.000 1.437 131 G CA -0.811 44.604 45.100 0.526 0.000 0.798 131 G HN 0.562 nan 8.290 nan 0.000 0.488 132 P HA 0.056 nan 4.420 nan 0.000 0.264 132 P C 0.690 178.251 177.300 0.435 0.000 1.179 132 P CA 0.323 63.605 63.100 0.303 0.000 0.763 132 P CB 0.692 32.440 31.700 0.081 0.000 0.806 133 E N 2.232 122.656 120.200 0.374 0.000 2.110 133 E HA -0.231 4.098 4.350 -0.036 0.000 0.193 133 E C 1.161 177.927 176.600 0.278 0.000 0.988 133 E CA 1.353 57.946 56.400 0.321 0.000 0.804 133 E CB -0.506 29.312 29.700 0.197 0.000 0.745 133 E HN 0.553 nan 8.360 nan 0.000 0.458 134 D N 1.569 122.093 120.400 0.207 0.000 2.310 134 D HA -0.135 4.484 4.640 -0.036 0.000 0.212 134 D C 1.693 178.072 176.300 0.132 0.000 0.965 134 D CA 1.283 55.366 54.000 0.138 0.000 0.879 134 D CB -0.350 40.516 40.800 0.110 0.000 0.921 134 D HN 0.204 nan 8.370 nan 0.000 0.510 135 S N -1.975 113.831 115.700 0.176 0.000 2.603 135 S HA 0.068 4.516 4.470 -0.036 0.000 0.220 135 S C 0.005 174.632 174.600 0.044 0.000 0.967 135 S CA -0.694 57.551 58.200 0.075 0.000 0.920 135 S CB -0.657 62.554 63.200 0.019 0.000 0.773 135 S HN 0.228 nan 8.310 nan 0.000 0.529 136 W N 2.640 123.951 121.300 0.018 0.000 2.512 136 W HA 0.551 5.184 4.660 -0.044 0.000 0.335 136 W C 0.718 177.207 176.519 -0.050 0.000 1.088 136 W CA -0.703 56.636 57.345 -0.010 0.000 1.236 136 W CB 0.848 30.262 29.460 -0.075 0.000 1.307 136 W HN 0.055 nan 8.180 nan 0.000 0.567 137 T N -1.798 112.865 114.554 0.182 0.000 2.849 137 T HA 0.181 4.509 4.350 -0.036 0.000 0.284 137 T C 0.980 175.711 174.700 0.051 0.000 1.004 137 T CA -0.436 61.714 62.100 0.084 0.000 1.021 137 T CB 1.165 70.065 68.868 0.052 0.000 1.013 137 T HN 0.339 nan 8.240 nan 0.000 0.527 138 S N 0.790 116.491 115.700 0.002 0.000 2.399 138 S HA -0.022 4.426 4.470 -0.036 0.000 0.231 138 S C 2.441 177.022 174.600 -0.032 0.000 1.022 138 S CA 0.836 59.010 58.200 -0.044 0.000 0.983 138 S CB -0.862 62.309 63.200 -0.048 0.000 0.803 138 S HN 0.885 nan 8.310 nan 0.000 0.480 139 A N 1.647 124.468 122.820 0.001 0.000 1.898 139 A HA 0.206 4.505 4.320 -0.036 0.000 0.216 139 A C 2.361 179.962 177.584 0.030 0.000 1.181 139 A CA 1.516 53.559 52.037 0.008 0.000 0.620 139 A CB -1.037 17.972 19.000 0.015 0.000 0.819 139 A HN 0.508 nan 8.150 nan 0.000 0.442 140 A N -0.123 122.747 122.820 0.083 0.000 1.969 140 A HA -0.015 4.283 4.320 -0.036 0.000 0.218 140 A C 2.025 179.670 177.584 0.101 0.000 1.169 140 A CA 1.353 53.488 52.037 0.164 0.000 0.635 140 A CB -0.469 18.727 19.000 0.328 0.000 0.810 140 A HN 0.421 nan 8.150 nan 0.000 0.445 141 I N -0.048 120.501 120.570 -0.035 0.000 2.208 141 I HA -0.292 3.856 4.170 -0.036 0.000 0.245 141 I C 2.927 178.984 176.117 -0.099 0.000 1.097 141 I CA 1.605 62.716 61.300 -0.315 0.000 1.363 141 I CB -1.255 36.475 38.000 -0.451 0.000 1.051 141 I HN 0.396 nan 8.210 nan 0.000 0.413 142 A N 0.724 123.514 122.820 -0.050 0.000 1.898 142 A HA -0.078 4.221 4.320 -0.036 0.000 0.216 142 A C 2.572 180.150 177.584 -0.009 0.000 1.181 142 A CA 1.761 53.793 52.037 -0.008 0.000 0.620 142 A CB -0.667 18.321 19.000 -0.020 0.000 0.819 142 A HN 0.424 nan 8.150 nan 0.000 0.442 143 A N -0.766 122.042 122.820 -0.020 0.000 1.902 143 A HA -0.098 4.200 4.320 -0.036 0.000 0.217 143 A C 2.216 179.724 177.584 -0.125 0.000 1.181 143 A CA 1.852 53.861 52.037 -0.048 0.000 0.623 143 A CB -0.475 18.513 19.000 -0.020 0.000 0.818 143 A HN 0.434 nan 8.150 nan 0.000 0.443 144 M N -0.031 119.501 119.600 -0.113 0.000 2.086 144 M HA -0.125 4.334 4.480 -0.036 0.000 0.261 144 M C 1.846 177.884 176.300 -0.437 0.000 1.067 144 M CA 1.279 56.385 55.300 -0.323 0.000 1.116 144 M CB -1.484 31.099 32.600 -0.029 0.000 1.348 144 M HN 0.469 nan 8.290 nan 0.000 0.407 145 N N 0.261 118.971 118.700 0.016 0.000 2.166 145 N HA -0.120 4.598 4.740 -0.036 0.000 0.186 145 N C 1.735 177.217 175.510 -0.047 0.000 1.019 145 N CA 1.008 54.144 53.050 0.143 0.000 0.856 145 N CB -0.097 38.597 38.487 0.345 0.000 0.993 145 N HN 0.426 nan 8.380 nan 0.000 0.426 146 R N 0.988 121.433 120.500 -0.091 0.000 2.091 146 R HA -0.058 4.260 4.340 -0.036 0.000 0.238 146 R C 2.311 178.495 176.300 -0.193 0.000 1.136 146 R CA 1.244 57.272 56.100 -0.122 0.000 0.959 146 R CB -0.381 29.870 30.300 -0.082 0.000 0.856 146 R HN 0.155 nan 8.270 nan 0.000 0.437 147 A N 1.412 124.056 122.820 -0.293 0.000 1.873 147 A HA -0.187 4.111 4.320 -0.036 0.000 0.218 147 A C 1.905 179.296 177.584 -0.322 0.000 1.193 147 A CA 1.499 53.307 52.037 -0.382 0.000 0.629 147 A CB -0.686 17.952 19.000 -0.603 0.000 0.826 147 A HN 0.204 nan 8.150 nan 0.000 0.447 148 F N -0.700 119.144 119.950 -0.177 0.000 2.216 148 F HA -0.072 4.433 4.527 -0.036 0.000 0.300 148 F C 2.007 177.586 175.800 -0.368 0.000 1.085 148 F CA 0.847 58.721 58.000 -0.211 0.000 1.326 148 F CB -0.960 37.957 39.000 -0.139 0.000 1.027 148 F HN 0.256 nan 8.300 nan 0.000 0.497 149 L N 0.535 121.554 121.223 -0.341 0.000 2.056 149 L HA -0.186 4.132 4.340 -0.036 0.000 0.207 149 L C 2.006 178.663 176.870 -0.355 0.000 1.078 149 L CA 1.936 56.381 54.840 -0.657 0.000 0.749 149 L CB -1.056 40.641 42.059 -0.605 0.000 0.901 149 L HN 0.086 nan 8.230 nan 0.000 0.433 150 D N -0.482 119.788 120.400 -0.218 0.000 2.116 150 D HA -0.241 4.377 4.640 -0.036 0.000 0.193 150 D C 2.143 178.376 176.300 -0.112 0.000 0.998 150 D CA 1.629 55.554 54.000 -0.124 0.000 0.836 150 D CB -0.086 40.669 40.800 -0.076 0.000 0.951 150 D HN 0.478 nan 8.370 nan 0.000 0.449 151 A N 0.540 123.289 122.820 -0.119 0.000 1.883 151 A HA -0.066 4.232 4.320 -0.036 0.000 0.217 151 A C 2.434 179.980 177.584 -0.063 0.000 1.186 151 A CA 2.651 54.646 52.037 -0.070 0.000 0.624 151 A CB -1.314 17.683 19.000 -0.006 0.000 0.822 151 A HN 0.352 nan 8.150 nan 0.000 0.444 152 A N -0.313 122.429 122.820 -0.129 0.000 1.940 152 A HA 0.116 4.414 4.320 -0.036 0.000 0.219 152 A C 2.457 180.016 177.584 -0.042 0.000 1.176 152 A CA 2.215 54.190 52.037 -0.104 0.000 0.631 152 A CB -0.973 17.833 19.000 -0.323 0.000 0.814 152 A HN 1.180 nan 8.150 nan 0.000 0.446 153 A N -1.047 121.725 122.820 -0.079 0.000 2.067 153 A HA 0.161 4.460 4.320 -0.036 0.000 0.219 153 A C 1.823 179.401 177.584 -0.011 0.000 1.158 153 A CA 1.148 53.164 52.037 -0.035 0.000 0.661 153 A CB -0.353 18.619 19.000 -0.048 0.000 0.801 153 A HN 0.452 nan 8.150 nan 0.000 0.452 154 L N -1.132 120.083 121.223 -0.012 0.000 2.628 154 L HA 0.259 4.578 4.340 -0.036 0.000 0.229 154 L C 1.332 178.207 176.870 0.008 0.000 1.137 154 L CA 0.443 55.285 54.840 0.003 0.000 0.909 154 L CB 0.147 42.210 42.059 0.006 0.000 1.137 154 L HN 0.517 nan 8.230 nan 0.000 0.470 155 G N 0.798 109.607 108.800 0.015 0.000 2.225 155 G HA2 -0.220 3.718 3.960 -0.036 0.000 0.264 155 G HA3 -0.220 3.718 3.960 -0.036 0.000 0.264 155 G C -0.189 174.722 174.900 0.018 0.000 1.060 155 G CA 0.136 45.250 45.100 0.023 0.000 0.833 155 G HN 0.117 nan 8.290 nan 0.000 0.498 156 V N 0.480 120.405 119.914 0.017 0.000 2.459 156 V HA 0.619 4.717 4.120 -0.036 0.000 0.295 156 V C 0.749 176.861 176.094 0.030 0.000 1.029 156 V CA -0.386 61.921 62.300 0.012 0.000 0.874 156 V CB 1.811 33.631 31.823 -0.005 0.000 0.985 156 V HN 0.360 nan 8.190 nan 0.000 0.438 157 T N 4.223 118.795 114.554 0.029 0.000 2.869 157 T HA 0.526 4.854 4.350 -0.036 0.000 0.295 157 T C -0.205 174.512 174.700 0.029 0.000 0.987 157 T CA -0.257 61.868 62.100 0.041 0.000 1.109 157 T CB 1.357 70.241 68.868 0.027 0.000 0.932 157 T HN 0.405 nan 8.240 nan 0.000 0.518 158 V N 4.515 124.438 119.914 0.014 0.000 2.531 158 V HA 0.508 4.607 4.120 -0.036 0.000 0.301 158 V C -0.766 175.291 176.094 -0.062 0.000 1.034 158 V CA -0.846 61.435 62.300 -0.032 0.000 0.865 158 V CB 1.399 33.168 31.823 -0.091 0.000 0.995 158 V HN 0.637 nan 8.190 nan 0.000 0.424 159 L N 4.116 125.327 121.223 -0.019 0.000 2.365 159 L HA 0.970 5.288 4.340 -0.036 0.000 0.273 159 L C 0.034 176.906 176.870 0.005 0.000 1.000 159 L CA -0.337 54.506 54.840 0.005 0.000 0.819 159 L CB 2.066 44.170 42.059 0.075 0.000 1.284 159 L HN 0.763 nan 8.230 nan 0.000 0.418 160 A N 1.620 124.435 122.820 -0.008 0.000 2.449 160 A HA 0.913 5.212 4.320 -0.036 0.000 0.302 160 A C -0.517 177.097 177.584 0.049 0.000 1.048 160 A CA -0.518 51.534 52.037 0.024 0.000 0.708 160 A CB 1.463 20.434 19.000 -0.049 0.000 1.274 160 A HN 0.818 nan 8.150 nan 0.000 0.410 161 A N 0.778 123.642 122.820 0.073 0.000 2.511 161 A HA 0.496 4.794 4.320 -0.036 0.000 0.242 161 A C 1.212 178.853 177.584 0.095 0.000 1.069 161 A CA 0.417 52.495 52.037 0.068 0.000 0.763 161 A CB 0.021 19.049 19.000 0.046 0.000 1.001 161 A HN 2.111 nan 8.150 nan 0.000 0.498 162 A N 2.025 124.908 122.820 0.104 0.000 2.208 162 A HA 0.515 4.814 4.320 -0.036 0.000 0.209 162 A C 1.221 178.889 177.584 0.140 0.000 1.161 162 A CA 1.104 53.211 52.037 0.117 0.000 0.782 162 A CB -0.723 18.342 19.000 0.107 0.000 0.816 162 A HN 2.712 nan 8.150 nan 0.000 0.477 163 G N -1.219 107.670 108.800 0.149 0.000 2.375 163 G HA2 0.090 4.028 3.960 -0.036 0.000 0.663 163 G HA3 0.090 4.028 3.960 -0.036 0.000 0.663 163 G C -0.715 174.291 174.900 0.176 0.000 1.391 163 G CA -0.346 44.844 45.100 0.151 0.000 0.949 163 G HN 0.072 nan 8.290 nan 0.000 0.646 164 N N -0.454 118.336 118.700 0.150 0.000 2.235 164 N HA 0.260 4.978 4.740 -0.036 0.000 0.231 164 N C 0.730 176.209 175.510 -0.051 0.000 1.177 164 N CA 0.416 53.568 53.050 0.170 0.000 0.874 164 N CB 1.186 39.852 38.487 0.299 0.000 1.097 164 N HN 0.375 nan 8.380 nan 0.000 0.518 165 S N -0.076 115.604 115.700 -0.034 0.000 2.751 165 S HA 0.485 4.933 4.470 -0.036 0.000 0.247 165 S C 0.823 175.400 174.600 -0.039 0.000 1.103 165 S CA -0.208 57.964 58.200 -0.047 0.000 1.090 165 S CB 0.824 64.041 63.200 0.028 0.000 0.928 165 S HN 0.540 nan 8.310 nan 0.000 0.502 166 G N 2.524 111.264 108.800 -0.099 0.000 2.697 166 G HA2 -0.305 3.633 3.960 -0.036 0.000 0.240 166 G HA3 -0.305 3.633 3.960 -0.036 0.000 0.240 166 G C 0.849 175.805 174.900 0.093 0.000 1.346 166 G CA -0.068 45.011 45.100 -0.035 0.000 0.887 166 G HN 0.882 nan 8.290 nan 0.000 0.569 167 S N -1.683 114.106 115.700 0.149 0.000 2.469 167 S HA -0.044 4.404 4.470 -0.036 0.000 0.238 167 S C 2.046 176.871 174.600 0.376 0.000 0.998 167 S CA 2.342 60.708 58.200 0.278 0.000 0.957 167 S CB -0.457 62.869 63.200 0.210 0.000 0.764 167 S HN 1.998 nan 8.310 nan 0.000 0.514 168 T N -2.334 112.395 114.554 0.293 0.000 3.040 168 T HA 0.215 4.544 4.350 -0.036 0.000 0.250 168 T C 0.378 175.262 174.700 0.306 0.000 1.058 168 T CA 0.330 62.614 62.100 0.306 0.000 0.988 168 T CB -0.440 68.531 68.868 0.171 0.000 0.993 168 T HN 0.283 nan 8.240 nan 0.000 0.519 169 D N 1.353 121.880 120.400 0.212 0.000 2.811 169 D HA -0.158 4.460 4.640 -0.036 0.000 0.231 169 D C 1.280 177.651 176.300 0.118 0.000 1.157 169 D CA 1.606 55.708 54.000 0.171 0.000 0.716 169 D CB -1.538 39.396 40.800 0.223 0.000 1.077 169 D HN 0.862 nan 8.370 nan 0.000 0.428 170 G N -1.245 107.612 108.800 0.095 0.000 2.195 170 G HA2 -0.304 3.635 3.960 -0.036 0.000 0.246 170 G HA3 -0.304 3.635 3.960 -0.036 0.000 0.246 170 G C 0.070 174.994 174.900 0.041 0.000 0.984 170 G CA 0.355 45.490 45.100 0.060 0.000 0.633 170 G HN 0.535 nan 8.290 nan 0.000 0.525 171 E N 0.022 120.248 120.200 0.043 0.000 2.277 171 E HA 0.492 4.820 4.350 -0.036 0.000 0.274 171 E C 0.129 176.767 176.600 0.064 0.000 1.022 171 E CA -0.416 55.990 56.400 0.009 0.000 0.853 171 E CB 1.028 30.629 29.700 -0.165 0.000 1.086 171 E HN 0.397 nan 8.360 nan 0.000 0.397 172 Q N 1.190 121.013 119.800 0.039 0.000 2.182 172 Q HA -0.002 4.316 4.340 -0.036 0.000 0.270 172 Q C -0.095 175.919 176.000 0.024 0.000 0.861 172 Q CA -0.117 55.701 55.803 0.026 0.000 1.098 172 Q CB 0.450 29.195 28.738 0.012 0.000 1.188 172 Q HN 0.453 nan 8.270 nan 0.000 0.464 173 D N -1.029 119.406 120.400 0.058 0.000 2.319 173 D HA 0.015 4.634 4.640 -0.036 0.000 0.230 173 D C 1.053 177.369 176.300 0.025 0.000 1.094 173 D CA 0.553 54.585 54.000 0.055 0.000 0.856 173 D CB -0.000 40.856 40.800 0.094 0.000 0.915 173 D HN 0.313 nan 8.370 nan 0.000 0.517 174 G N 0.034 108.821 108.800 -0.021 0.000 2.168 174 G HA2 -0.253 3.686 3.960 -0.036 0.000 0.257 174 G HA3 -0.253 3.686 3.960 -0.036 0.000 0.257 174 G C -0.211 174.548 174.900 -0.235 0.000 0.997 174 G CA 0.519 45.552 45.100 -0.111 0.000 0.708 174 G HN 0.357 nan 8.290 nan 0.000 0.520 175 L N -1.033 120.044 121.223 -0.243 0.000 2.303 175 L HA 0.744 5.062 4.340 -0.036 0.000 0.266 175 L C 0.251 176.686 176.870 -0.726 0.000 1.011 175 L CA -2.140 52.425 54.840 -0.459 0.000 0.818 175 L CB 0.915 42.753 42.059 -0.368 0.000 1.326 175 L HN 0.096 nan 8.230 nan 0.000 0.435 176 Y N 1.514 121.599 120.300 -0.358 0.000 2.299 176 Y HA 0.484 4.994 4.550 -0.067 0.000 0.326 176 Y C 0.267 175.911 175.900 -0.425 0.000 1.164 176 Y CA -0.100 57.855 58.100 -0.241 0.000 1.234 176 Y CB 0.533 38.962 38.460 -0.051 0.000 1.219 176 Y HN 0.368 nan 8.280 nan 0.000 0.497 177 H N 0.970 120.218 119.070 0.297 0.000 2.996 177 H HA 0.556 5.080 4.556 -0.053 0.000 0.368 177 H C -1.014 174.454 175.328 0.232 0.000 1.185 177 H CA -1.081 55.105 56.048 0.231 0.000 1.160 177 H CB 1.581 31.450 29.762 0.179 0.000 1.820 177 H HN 0.494 nan 8.280 nan 0.000 0.547 178 V N -0.888 119.232 119.914 0.344 0.000 2.834 178 V HA 0.393 4.491 4.120 -0.036 0.000 0.313 178 V C 0.077 176.350 176.094 0.299 0.000 1.060 178 V CA -0.821 61.645 62.300 0.277 0.000 0.989 178 V CB 1.814 33.773 31.823 0.226 0.000 1.041 178 V HN 0.663 nan 8.190 nan 0.000 0.459 179 D N 0.612 121.174 120.400 0.270 0.000 2.264 179 D HA 0.489 5.107 4.640 -0.036 0.000 0.249 179 D C -1.190 175.301 176.300 0.319 0.000 1.070 179 D CA -0.041 54.143 54.000 0.306 0.000 0.912 179 D CB 1.250 42.206 40.800 0.260 0.000 1.193 179 D HN 0.588 nan 8.370 nan 0.000 0.427 180 F N 3.291 123.368 119.950 0.211 0.000 2.495 180 F HA 0.429 4.932 4.527 -0.041 0.000 0.327 180 F C -1.751 174.118 175.800 0.115 0.000 1.103 180 F CA -2.360 55.638 58.000 -0.003 0.000 0.949 180 F CB 2.244 40.984 39.000 -0.433 0.000 1.142 180 F HN 0.250 nan 8.300 nan 0.000 0.457 181 P HA 0.075 nan 4.420 nan 0.000 0.253 181 P C 0.656 177.509 177.300 -0.744 0.000 1.260 181 P CA 0.689 62.895 63.100 -1.490 0.000 0.800 181 P CB 0.107 31.244 31.700 -0.939 0.000 1.162 182 A N 1.376 124.031 122.820 -0.276 0.000 1.933 182 A HA -0.075 4.223 4.320 -0.036 0.000 0.218 182 A C 2.384 179.890 177.584 -0.130 0.000 1.175 182 A CA 1.794 53.736 52.037 -0.158 0.000 0.628 182 A CB -1.438 17.561 19.000 -0.002 0.000 0.814 182 A HN 0.240 nan 8.150 nan 0.000 0.444 183 A N -0.365 122.442 122.820 -0.021 0.000 2.084 183 A HA 0.020 4.318 4.320 -0.036 0.000 0.221 183 A C 1.670 179.148 177.584 -0.177 0.000 1.161 183 A CA 1.233 53.322 52.037 0.086 0.000 0.653 183 A CB -0.868 18.366 19.000 0.389 0.000 0.802 183 A HN 0.590 nan 8.150 nan 0.000 0.457 184 S N -0.012 115.484 115.700 -0.341 0.000 2.560 184 S HA 0.221 4.669 4.470 -0.036 0.000 0.284 184 S C -1.205 173.152 174.600 -0.405 0.000 1.327 184 S CA -0.875 56.975 58.200 -0.583 0.000 1.055 184 S CB 0.723 63.714 63.200 -0.348 0.000 0.868 184 S HN 0.216 nan 8.310 nan 0.000 0.506 185 P HA -0.012 nan 4.420 nan 0.000 0.223 185 P C 0.091 177.324 177.300 -0.112 0.000 1.151 185 P CA 1.128 64.140 63.100 -0.147 0.000 0.787 185 P CB -0.052 31.492 31.700 -0.261 0.000 0.788 186 Y N -1.482 118.751 120.300 -0.112 0.000 2.468 186 Y HA 0.179 4.708 4.550 -0.036 0.000 0.268 186 Y C 0.889 176.623 175.900 -0.276 0.000 1.177 186 Y CA -0.167 57.744 58.100 -0.315 0.000 1.265 186 Y CB 0.233 38.482 38.460 -0.352 0.000 1.103 186 Y HN -0.292 nan 8.280 nan 0.000 0.522 187 V N 1.639 121.447 119.914 -0.176 0.000 2.513 187 V HA 0.236 4.334 4.120 -0.036 0.000 0.299 187 V C -0.620 175.424 176.094 -0.085 0.000 1.035 187 V CA -1.209 60.922 62.300 -0.282 0.000 0.889 187 V CB 1.965 33.425 31.823 -0.603 0.000 0.988 187 V HN -0.045 nan 8.190 nan 0.000 0.440 188 L N 5.724 126.924 121.223 -0.040 0.000 2.295 188 L HA 0.676 4.995 4.340 -0.036 0.000 0.288 188 L C 0.446 177.338 176.870 0.038 0.000 1.079 188 L CA -0.329 54.528 54.840 0.029 0.000 0.830 188 L CB 0.080 42.162 42.059 0.039 0.000 1.200 188 L HN 0.713 nan 8.230 nan 0.000 0.438 189 A N 5.123 127.984 122.820 0.067 0.000 2.409 189 A HA 0.460 4.758 4.320 -0.036 0.000 0.267 189 A C -0.081 177.568 177.584 0.107 0.000 1.127 189 A CA -0.337 51.742 52.037 0.070 0.000 0.795 189 A CB -0.232 18.821 19.000 0.088 0.000 1.061 189 A HN 0.865 nan 8.150 nan 0.000 0.502 190 C N 3.386 122.746 119.300 0.100 0.000 2.251 190 C HA 0.647 5.085 4.460 -0.036 0.000 0.323 190 C C 1.263 176.312 174.990 0.099 0.000 1.241 190 C CA -0.498 58.591 59.018 0.119 0.000 1.601 190 C CB 0.055 27.847 27.740 0.086 0.000 2.251 190 C HN 1.047 nan 8.230 nan 0.000 0.488 191 G N 2.075 110.936 108.800 0.101 0.000 2.580 191 G HA2 0.618 4.557 3.960 -0.036 0.000 0.278 191 G HA3 0.618 4.557 3.960 -0.036 0.000 0.278 191 G C -0.088 174.895 174.900 0.139 0.000 1.212 191 G CA -0.255 44.907 45.100 0.103 0.000 0.939 191 G HN 1.013 nan 8.290 nan 0.000 0.513 192 G N -0.997 107.930 108.800 0.211 0.000 2.513 192 G HA2 0.636 4.574 3.960 -0.036 0.000 0.317 192 G HA3 0.636 4.574 3.960 -0.036 0.000 0.317 192 G C -0.205 174.868 174.900 0.289 0.000 1.277 192 G CA 0.150 45.414 45.100 0.274 0.000 0.955 192 G HN 0.936 nan 8.290 nan 0.000 0.484 193 T N -1.299 113.385 114.554 0.218 0.000 2.883 193 T HA 0.687 5.015 4.350 -0.036 0.000 0.284 193 T C -0.291 174.520 174.700 0.185 0.000 1.041 193 T CA -0.962 61.267 62.100 0.215 0.000 1.007 193 T CB 2.173 71.153 68.868 0.186 0.000 1.220 193 T HN 0.555 nan 8.240 nan 0.000 0.552 194 R N 0.765 121.371 120.500 0.177 0.000 2.295 194 R HA 0.595 4.913 4.340 -0.036 0.000 0.324 194 R C -1.588 174.783 176.300 0.118 0.000 0.968 194 R CA -0.823 55.355 56.100 0.130 0.000 0.837 194 R CB 0.812 31.201 30.300 0.149 0.000 1.133 194 R HN 0.617 nan 8.270 nan 0.000 0.450 195 L N 5.377 126.659 121.223 0.098 0.000 2.296 195 L HA 0.407 4.725 4.340 -0.036 0.000 0.286 195 L C -1.304 175.647 176.870 0.135 0.000 1.023 195 L CA -0.502 54.385 54.840 0.078 0.000 0.812 195 L CB 2.010 44.029 42.059 -0.066 0.000 1.223 195 L HN 0.367 nan 8.230 nan 0.000 0.421 196 V N 5.407 125.381 119.914 0.100 0.000 2.326 196 V HA 0.919 5.017 4.120 -0.036 0.000 0.281 196 V C 0.033 176.165 176.094 0.063 0.000 1.015 196 V CA -0.007 62.367 62.300 0.123 0.000 0.823 196 V CB 0.561 32.430 31.823 0.077 0.000 1.009 196 V HN 0.979 nan 8.190 nan 0.000 0.436 197 A N 3.955 126.821 122.820 0.077 0.000 2.593 197 A HA 1.048 5.346 4.320 -0.036 0.000 0.290 197 A C -0.469 177.127 177.584 0.020 0.000 1.126 197 A CA -0.105 51.904 52.037 -0.047 0.000 0.695 197 A CB 2.348 21.204 19.000 -0.240 0.000 1.290 197 A HN 1.430 nan 8.150 nan 0.000 0.414 198 S N -1.207 114.474 115.700 -0.032 0.000 2.586 198 S HA 0.545 4.993 4.470 -0.036 0.000 0.277 198 S C 0.541 175.118 174.600 -0.039 0.000 1.131 198 S CA 0.498 58.691 58.200 -0.011 0.000 0.848 198 S CB 0.656 63.862 63.200 0.010 0.000 1.091 198 S HN 2.797 nan 8.310 nan 0.000 0.453 199 G N 0.856 109.635 108.800 -0.035 0.000 2.269 199 G HA2 0.163 4.101 3.960 -0.036 0.000 0.277 199 G HA3 0.163 4.101 3.960 -0.036 0.000 0.277 199 G C 1.609 176.479 174.900 -0.049 0.000 1.008 199 G CA 1.339 46.417 45.100 -0.036 0.000 0.774 199 G HN 2.644 nan 8.290 nan 0.000 0.511 200 G N -1.542 107.213 108.800 -0.074 0.000 2.175 200 G HA2 -0.204 3.734 3.960 -0.036 0.000 0.244 200 G HA3 -0.204 3.734 3.960 -0.036 0.000 0.244 200 G C 0.251 175.106 174.900 -0.075 0.000 0.982 200 G CA 1.038 46.092 45.100 -0.077 0.000 0.641 200 G HN 1.422 nan 8.290 nan 0.000 0.527 201 R N 0.386 120.839 120.500 -0.079 0.000 2.480 201 R HA 0.658 4.976 4.340 -0.036 0.000 0.306 201 R C -0.014 176.225 176.300 -0.101 0.000 0.958 201 R CA -1.031 55.021 56.100 -0.080 0.000 0.861 201 R CB 0.644 30.910 30.300 -0.056 0.000 1.171 201 R HN 0.177 nan 8.270 nan 0.000 0.445 202 I N 4.194 124.683 120.570 -0.135 0.000 2.556 202 I HA 0.036 4.184 4.170 -0.036 0.000 0.284 202 I C 1.191 177.252 176.117 -0.094 0.000 1.114 202 I CA 0.199 61.415 61.300 -0.140 0.000 1.418 202 I CB 1.675 39.545 38.000 -0.216 0.000 1.394 202 I HN 0.832 nan 8.210 nan 0.000 0.552 203 A N 5.635 128.434 122.820 -0.036 0.000 1.924 203 A HA 0.078 4.376 4.320 -0.036 0.000 0.211 203 A C 0.684 178.293 177.584 0.040 0.000 1.198 203 A CA 0.719 52.757 52.037 0.001 0.000 0.657 203 A CB 0.222 19.229 19.000 0.011 0.000 0.852 203 A HN 0.772 nan 8.150 nan 0.000 0.454 204 Q N -0.752 119.087 119.800 0.065 0.000 2.479 204 Q HA 0.456 4.774 4.340 -0.036 0.000 0.276 204 Q C -2.175 173.920 176.000 0.158 0.000 0.989 204 Q CA -0.514 55.361 55.803 0.121 0.000 0.864 204 Q CB 1.278 30.069 28.738 0.088 0.000 1.444 204 Q HN 0.307 nan 8.270 nan 0.000 0.388 205 E N 2.091 122.421 120.200 0.216 0.000 2.294 205 E HA 0.447 4.775 4.350 -0.036 0.000 0.272 205 E C -1.473 175.206 176.600 0.132 0.000 0.896 205 E CA -0.240 56.287 56.400 0.211 0.000 0.802 205 E CB 1.757 31.666 29.700 0.348 0.000 1.267 205 E HN 0.797 nan 8.360 nan 0.000 0.406 206 T N -0.730 113.893 114.554 0.115 0.000 2.773 206 T HA 0.534 4.862 4.350 -0.036 0.000 0.278 206 T C -0.112 174.649 174.700 0.101 0.000 1.011 206 T CA -0.746 61.404 62.100 0.083 0.000 1.014 206 T CB 1.012 69.926 68.868 0.077 0.000 1.293 206 T HN 0.143 nan 8.240 nan 0.000 0.554 207 V N 1.308 121.270 119.914 0.080 0.000 2.637 207 V HA 0.186 4.284 4.120 -0.036 0.000 0.296 207 V C -0.059 176.143 176.094 0.181 0.000 1.046 207 V CA -0.644 61.715 62.300 0.099 0.000 1.066 207 V CB 0.210 32.057 31.823 0.040 0.000 0.968 207 V HN 0.833 nan 8.190 nan 0.000 0.483 208 W N 7.161 128.478 121.300 0.029 0.000 2.368 208 W HA 0.393 5.100 4.660 0.078 0.000 0.316 208 W C 0.079 176.617 176.519 0.031 0.000 1.375 208 W CA -0.526 56.840 57.345 0.035 0.000 1.261 208 W CB -0.018 29.468 29.460 0.043 0.000 1.298 208 W HN 0.646 nan 8.180 nan 0.000 0.539 209 N N 5.194 123.831 118.700 -0.104 0.000 2.812 209 N HA 0.046 4.764 4.740 -0.036 0.000 0.262 209 N C -1.243 174.193 175.510 -0.124 0.000 1.241 209 N CA -0.198 52.666 53.050 -0.310 0.000 0.854 209 N CB 0.649 39.046 38.487 -0.150 0.000 1.506 209 N HN 0.382 nan 8.380 nan 0.000 0.576 210 D N 1.969 122.283 120.400 -0.143 0.000 2.525 210 D HA 0.327 4.946 4.640 -0.036 0.000 0.229 210 D C 1.022 177.313 176.300 -0.015 0.000 1.202 210 D CA 0.543 54.565 54.000 0.036 0.000 0.828 210 D CB 0.127 41.046 40.800 0.199 0.000 1.008 210 D HN 0.894 nan 8.370 nan 0.000 0.493 211 G N 1.762 110.518 108.800 -0.074 0.000 2.828 211 G HA2 -0.234 3.704 3.960 -0.036 0.000 0.463 211 G HA3 -0.234 3.704 3.960 -0.036 0.000 0.463 211 G C -2.045 172.820 174.900 -0.059 0.000 1.394 211 G CA -0.805 44.263 45.100 -0.052 0.000 0.862 211 G HN -0.006 nan 8.290 nan 0.000 0.540 212 P HA 0.038 nan 4.420 nan 0.000 0.218 212 P C 1.160 178.456 177.300 -0.007 0.000 1.149 212 P CA 1.638 64.724 63.100 -0.024 0.000 0.817 212 P CB 0.070 31.764 31.700 -0.010 0.000 0.785 213 D N -1.066 119.337 120.400 0.005 0.000 2.162 213 D HA -0.023 4.595 4.640 -0.036 0.000 0.203 213 D C 2.169 178.496 176.300 0.045 0.000 0.967 213 D CA 1.435 55.449 54.000 0.023 0.000 0.840 213 D CB -0.977 39.837 40.800 0.023 0.000 0.972 213 D HN 0.157 nan 8.370 nan 0.000 0.482 214 G N -0.736 108.095 108.800 0.052 0.000 2.683 214 G HA2 0.378 4.316 3.960 -0.036 0.000 0.213 214 G HA3 0.378 4.316 3.960 -0.036 0.000 0.213 214 G C 0.786 175.786 174.900 0.166 0.000 1.142 214 G CA 0.478 45.649 45.100 0.118 0.000 0.793 214 G HN 0.576 nan 8.290 nan 0.000 0.534 215 G N -1.478 107.320 108.800 -0.003 0.000 2.699 215 G HA2 0.471 4.409 3.960 -0.036 0.000 0.686 215 G HA3 0.471 4.409 3.960 -0.036 0.000 0.686 215 G C -0.412 173.992 174.900 -0.828 0.000 1.301 215 G CA -0.326 44.676 45.100 -0.163 0.000 0.816 215 G HN 1.650 nan 8.290 nan 0.000 0.595 216 A N -0.640 121.351 122.820 -1.382 0.000 2.597 216 A HA 0.941 5.240 4.320 -0.036 0.000 0.292 216 A C 0.030 176.963 177.584 -1.085 0.000 1.057 216 A CA 0.770 51.846 52.037 -1.602 0.000 0.674 216 A CB 1.164 19.753 19.000 -0.684 0.000 1.278 216 A HN 2.374 nan 8.150 nan 0.000 0.416 217 T N 0.725 114.943 114.554 -0.560 0.000 2.916 217 T HA 0.466 4.794 4.350 -0.036 0.000 0.303 217 T C 0.936 175.624 174.700 -0.020 0.000 1.025 217 T CA 0.873 62.965 62.100 -0.013 0.000 1.142 217 T CB -0.023 68.954 68.868 0.181 0.000 0.947 217 T HN 1.589 nan 8.240 nan 0.000 0.544 218 G N 1.911 110.749 108.800 0.064 0.000 2.594 218 G HA2 0.549 4.487 3.960 -0.036 0.000 0.243 218 G HA3 0.549 4.487 3.960 -0.036 0.000 0.243 218 G C 0.184 175.129 174.900 0.076 0.000 1.229 218 G CA -0.051 45.102 45.100 0.089 0.000 0.843 218 G HN 1.168 nan 8.290 nan 0.000 0.578 219 G N -1.553 107.297 108.800 0.084 0.000 2.386 219 G HA2 0.699 4.637 3.960 -0.036 0.000 0.302 219 G HA3 0.699 4.637 3.960 -0.036 0.000 0.302 219 G C -0.304 174.588 174.900 -0.013 0.000 1.629 219 G CA 0.372 45.482 45.100 0.017 0.000 0.917 219 G HN 2.098 nan 8.290 nan 0.000 0.676 220 G N -1.667 107.042 108.800 -0.151 0.000 2.404 220 G HA2 0.582 4.521 3.960 -0.036 0.000 0.253 220 G HA3 0.582 4.521 3.960 -0.036 0.000 0.253 220 G C -1.739 173.038 174.900 -0.206 0.000 1.253 220 G CA 0.412 45.281 45.100 -0.386 0.000 0.917 220 G HN 1.675 nan 8.290 nan 0.000 0.480 221 V N 1.055 120.921 119.914 -0.079 0.000 2.444 221 V HA 0.635 4.733 4.120 -0.036 0.000 0.294 221 V C 0.736 176.885 176.094 0.091 0.000 1.022 221 V CA -0.253 62.054 62.300 0.011 0.000 0.850 221 V CB 1.126 32.955 31.823 0.010 0.000 0.992 221 V HN 1.117 nan 8.190 nan 0.000 0.426 222 S N 4.361 120.125 115.700 0.106 0.000 2.552 222 S HA 0.163 4.611 4.470 -0.036 0.000 0.289 222 S C 1.107 175.781 174.600 0.124 0.000 1.304 222 S CA 0.059 58.361 58.200 0.170 0.000 1.063 222 S CB 0.361 63.722 63.200 0.268 0.000 0.848 222 S HN 0.724 nan 8.310 nan 0.000 0.499 223 R N 3.273 123.846 120.500 0.122 0.000 2.290 223 R HA 0.282 4.600 4.340 -0.036 0.000 0.197 223 R C 1.527 177.828 176.300 0.000 0.000 0.913 223 R CA 0.401 56.540 56.100 0.065 0.000 1.040 223 R CB -0.005 30.343 30.300 0.080 0.000 0.992 223 R HN 0.691 nan 8.270 nan 0.000 0.500 224 I N -0.382 120.165 120.570 -0.037 0.000 2.494 224 I HA -0.018 4.130 4.170 -0.036 0.000 0.250 224 I C 0.055 175.928 176.117 -0.406 0.000 1.112 224 I CA 0.742 61.872 61.300 -0.283 0.000 1.438 224 I CB 0.244 37.929 38.000 -0.525 0.000 1.111 224 I HN -0.108 nan 8.210 nan 0.000 0.431 225 F N 1.896 121.846 119.950 -0.001 0.000 2.443 225 F HA 0.415 4.918 4.527 -0.040 0.000 0.335 225 F C -2.273 173.489 175.800 -0.063 0.000 1.104 225 F CA -2.942 55.045 58.000 -0.021 0.000 1.013 225 F CB 0.409 39.408 39.000 -0.002 0.000 1.136 225 F HN -0.244 nan 8.300 nan 0.000 0.470 226 P HA 0.130 nan 4.420 nan 0.000 0.276 226 P C -0.597 176.638 177.300 -0.109 0.000 1.244 226 P CA -0.541 62.544 63.100 -0.025 0.000 0.801 226 P CB 0.942 32.616 31.700 -0.044 0.000 1.006 227 L N 4.066 125.182 121.223 -0.178 0.000 2.700 227 L HA 0.063 4.381 4.340 -0.036 0.000 0.276 227 L C -2.192 174.417 176.870 -0.434 0.000 1.200 227 L CA -0.588 54.060 54.840 -0.320 0.000 0.951 227 L CB -1.150 40.736 42.059 -0.288 0.000 1.226 227 L HN 0.300 nan 8.230 nan 0.000 0.489 228 P HA 0.152 nan 4.420 nan 0.000 0.272 228 P C 0.097 176.877 177.300 -0.866 0.000 1.230 228 P CA 0.090 62.645 63.100 -0.907 0.000 0.788 228 P CB 0.798 31.444 31.700 -1.756 0.000 0.949 229 A N 2.895 125.351 122.820 -0.606 0.000 1.892 229 A HA -0.166 4.132 4.320 -0.036 0.000 0.218 229 A C 1.699 179.040 177.584 -0.405 0.000 1.188 229 A CA 1.618 53.430 52.037 -0.375 0.000 0.631 229 A CB -1.631 17.274 19.000 -0.157 0.000 0.822 229 A HN 0.826 nan 8.150 nan 0.000 0.447 230 W N -0.963 120.160 121.300 -0.296 0.000 2.721 230 W HA 0.035 4.672 4.660 -0.039 0.000 0.245 230 W C 1.053 177.258 176.519 -0.524 0.000 1.276 230 W CA 0.760 57.894 57.345 -0.353 0.000 1.342 230 W CB -0.695 28.577 29.460 -0.313 0.000 1.135 230 W HN 0.437 nan 8.180 nan 0.000 0.654 231 Q N 0.503 119.792 119.800 -0.851 0.000 2.282 231 Q HA -0.026 4.292 4.340 -0.036 0.000 0.206 231 Q C 1.683 177.342 176.000 -0.568 0.000 0.878 231 Q CA -0.072 55.249 55.803 -0.804 0.000 0.944 231 Q CB 0.223 28.315 28.738 -1.076 0.000 1.100 231 Q HN 0.099 nan 8.270 nan 0.000 0.509 232 E N 0.661 120.541 120.200 -0.533 0.000 2.393 232 E HA -0.179 4.149 4.350 -0.036 0.000 0.201 232 E C 0.430 176.862 176.600 -0.280 0.000 1.025 232 E CA 1.100 57.264 56.400 -0.393 0.000 0.856 232 E CB -0.021 29.479 29.700 -0.334 0.000 0.771 232 E HN 0.636 nan 8.360 nan 0.000 0.526 233 H N -3.936 115.068 119.070 -0.109 0.000 3.074 233 H HA 0.588 5.122 4.556 -0.037 0.000 0.227 233 H C 0.449 175.759 175.328 -0.031 0.000 1.365 233 H CA 0.160 56.170 56.048 -0.062 0.000 1.078 233 H CB 0.056 29.801 29.762 -0.028 0.000 2.347 233 H HN 0.008 nan 8.280 nan 0.000 0.567 234 A N 1.351 124.197 122.820 0.045 0.000 2.275 234 A HA -0.004 4.294 4.320 -0.036 0.000 0.212 234 A C 1.092 178.683 177.584 0.012 0.000 1.201 234 A CA 0.253 52.313 52.037 0.038 0.000 0.843 234 A CB -0.198 18.729 19.000 -0.122 0.000 0.873 234 A HN 0.563 nan 8.150 nan 0.000 0.492 235 N N -0.908 117.789 118.700 -0.006 0.000 2.754 235 N HA -0.137 4.581 4.740 -0.036 0.000 0.248 235 N C -0.507 175.014 175.510 0.018 0.000 1.093 235 N CA 0.887 53.956 53.050 0.033 0.000 0.699 235 N CB -2.023 36.530 38.487 0.109 0.000 1.016 235 N HN 0.182 nan 8.380 nan 0.000 0.552 236 V N 1.600 121.400 119.914 -0.189 0.000 2.572 236 V HA 0.312 4.410 4.120 -0.036 0.000 0.291 236 V C -0.901 175.148 176.094 -0.074 0.000 1.039 236 V CA -0.671 61.474 62.300 -0.259 0.000 1.055 236 V CB 0.858 32.321 31.823 -0.601 0.000 0.969 236 V HN 0.257 nan 8.190 nan 0.000 0.482 237 P HA 0.492 nan 4.420 nan 0.000 0.282 237 P C -2.812 174.502 177.300 0.023 0.000 1.287 237 P CA -1.850 61.279 63.100 0.047 0.000 0.792 237 P CB 0.326 32.099 31.700 0.122 0.000 1.163 238 P HA 0.076 nan 4.420 nan 0.000 0.276 238 P C 0.161 177.520 177.300 0.098 0.000 1.252 238 P CA -0.221 62.903 63.100 0.040 0.000 0.802 238 P CB 0.175 31.895 31.700 0.033 0.000 1.035 239 S N 0.282 116.044 115.700 0.104 0.000 2.569 239 S HA 0.158 4.606 4.470 -0.036 0.000 0.274 239 S C 1.353 176.068 174.600 0.191 0.000 1.353 239 S CA 0.164 58.478 58.200 0.191 0.000 1.023 239 S CB -0.251 63.047 63.200 0.162 0.000 0.876 239 S HN 0.494 nan 8.310 nan 0.000 0.540 240 A N 3.302 126.249 122.820 0.213 0.000 2.235 240 A HA 0.140 4.438 4.320 -0.036 0.000 0.208 240 A C 0.721 178.387 177.584 0.138 0.000 1.172 240 A CA 0.020 52.076 52.037 0.033 0.000 0.786 240 A CB -0.617 18.139 19.000 -0.406 0.000 0.804 240 A HN 0.798 nan 8.150 nan 0.000 0.479 241 N N 1.431 120.237 118.700 0.176 0.000 2.497 241 N HA 0.271 4.989 4.740 -0.036 0.000 0.271 241 N C -2.875 172.679 175.510 0.074 0.000 1.142 241 N CA -1.441 51.686 53.050 0.128 0.000 0.965 241 N CB 0.227 38.770 38.487 0.094 0.000 1.077 241 N HN 0.025 nan 8.380 nan 0.000 0.462 242 P HA -0.009 nan 4.420 nan 0.000 0.261 242 P C 0.903 178.221 177.300 0.029 0.000 1.165 242 P CA 0.919 64.039 63.100 0.033 0.000 0.759 242 P CB 0.338 32.050 31.700 0.020 0.000 0.772 243 G N 3.085 111.899 108.800 0.025 0.000 2.238 243 G HA2 -0.125 3.813 3.960 -0.036 0.000 0.217 243 G HA3 -0.125 3.813 3.960 -0.036 0.000 0.217 243 G C 0.594 175.508 174.900 0.022 0.000 0.996 243 G CA 0.292 45.404 45.100 0.020 0.000 0.632 243 G HN 0.868 nan 8.290 nan 0.000 0.503 244 A N -0.271 122.569 122.820 0.033 0.000 2.409 244 A HA 0.106 4.404 4.320 -0.036 0.000 0.290 244 A C 1.202 178.803 177.584 0.028 0.000 1.440 244 A CA 1.949 54.010 52.037 0.039 0.000 0.775 244 A CB -1.986 17.033 19.000 0.033 0.000 1.069 244 A HN 2.309 nan 8.150 nan 0.000 0.389 245 S N 0.595 116.311 115.700 0.027 0.000 2.560 245 S HA 0.460 4.908 4.470 -0.036 0.000 0.284 245 S C 0.692 175.297 174.600 0.007 0.000 1.327 245 S CA -0.065 58.142 58.200 0.013 0.000 1.055 245 S CB 1.122 64.329 63.200 0.011 0.000 0.868 245 S HN 1.915 nan 8.310 nan 0.000 0.506 246 S N 1.754 117.445 115.700 -0.015 0.000 2.603 246 S HA 0.778 5.226 4.470 -0.036 0.000 0.268 246 S C 0.324 174.899 174.600 -0.041 0.000 1.317 246 S CA -0.128 58.049 58.200 -0.037 0.000 1.012 246 S CB 0.774 63.936 63.200 -0.063 0.000 0.926 246 S HN 1.438 nan 8.310 nan 0.000 0.539 247 G N 0.744 109.506 108.800 -0.064 0.000 2.506 247 G HA2 0.415 4.353 3.960 -0.036 0.000 0.292 247 G HA3 0.415 4.353 3.960 -0.036 0.000 0.292 247 G C -1.355 173.484 174.900 -0.101 0.000 1.425 247 G CA -1.131 43.941 45.100 -0.047 0.000 0.788 247 G HN 0.749 nan 8.290 nan 0.000 0.490 248 R N 0.415 120.872 120.500 -0.073 0.000 2.480 248 R HA 0.256 4.574 4.340 -0.036 0.000 0.303 248 R C 0.618 176.861 176.300 -0.095 0.000 0.985 248 R CA 0.474 56.482 56.100 -0.153 0.000 1.051 248 R CB -0.089 30.157 30.300 -0.091 0.000 0.935 248 R HN 0.750 nan 8.270 nan 0.000 0.410 249 G N 2.825 111.506 108.800 -0.198 0.000 2.415 249 G HA2 0.396 4.334 3.960 -0.036 0.000 0.269 249 G HA3 0.396 4.334 3.960 -0.036 0.000 0.269 249 G C -0.761 174.333 174.900 0.324 0.000 1.209 249 G CA -0.528 44.584 45.100 0.020 0.000 0.835 249 G HN 0.439 nan 8.290 nan 0.000 0.534 250 V N 5.044 125.180 119.914 0.369 0.000 2.555 250 V HA 0.530 4.629 4.120 -0.036 0.000 0.302 250 V C -1.794 174.396 176.094 0.160 0.000 1.038 250 V CA -1.287 61.177 62.300 0.273 0.000 0.887 250 V CB 2.356 34.270 31.823 0.152 0.000 0.991 250 V HN 0.724 nan 8.190 nan 0.000 0.434 251 P HA 0.445 nan 4.420 nan 0.000 0.325 251 P C -0.421 177.062 177.300 0.305 0.000 1.298 251 P CA -0.265 62.929 63.100 0.158 0.000 0.771 251 P CB 1.922 33.660 31.700 0.063 0.000 1.389 252 D N -1.197 119.367 120.400 0.273 0.000 2.369 252 D HA 0.190 4.808 4.640 -0.036 0.000 0.231 252 D C 0.826 177.153 176.300 0.045 0.000 0.967 252 D CA 1.036 55.223 54.000 0.313 0.000 0.905 252 D CB 0.295 41.278 40.800 0.306 0.000 1.044 252 D HN 0.216 nan 8.370 nan 0.000 0.487 253 L N -0.402 120.845 121.223 0.041 0.000 2.230 253 L HA 0.734 5.052 4.340 -0.036 0.000 0.255 253 L C -0.805 176.127 176.870 0.103 0.000 1.039 253 L CA -0.981 53.860 54.840 0.002 0.000 0.846 253 L CB 2.217 44.272 42.059 -0.006 0.000 1.419 253 L HN -0.109 nan 8.230 nan 0.000 0.435 254 A N -0.508 122.403 122.820 0.152 0.000 2.594 254 A HA 0.884 5.183 4.320 -0.036 0.000 0.295 254 A C -0.935 176.791 177.584 0.235 0.000 1.071 254 A CA -0.051 52.092 52.037 0.175 0.000 0.685 254 A CB 1.862 20.903 19.000 0.069 0.000 1.285 254 A HN 0.769 nan 8.150 nan 0.000 0.405 255 G N -0.053 108.847 108.800 0.167 0.000 2.694 255 G HA2 0.488 4.427 3.960 -0.036 0.000 0.290 255 G HA3 0.488 4.427 3.960 -0.036 0.000 0.290 255 G C -0.841 174.191 174.900 0.220 0.000 1.386 255 G CA -0.833 44.388 45.100 0.201 0.000 0.872 255 G HN 0.905 nan 8.290 nan 0.000 0.475 256 N N -0.277 118.610 118.700 0.311 0.000 2.301 256 N HA 0.273 4.991 4.740 -0.036 0.000 0.267 256 N C 0.757 176.312 175.510 0.074 0.000 1.304 256 N CA 1.122 54.242 53.050 0.118 0.000 0.851 256 N CB 1.023 39.478 38.487 -0.054 0.000 1.070 256 N HN 0.762 nan 8.380 nan 0.000 0.483 257 A N 2.777 125.520 122.820 -0.127 0.000 2.664 257 A HA 0.094 4.392 4.320 -0.036 0.000 0.222 257 A C 0.073 177.006 177.584 -1.086 0.000 1.320 257 A CA -0.340 51.443 52.037 -0.424 0.000 1.029 257 A CB 0.022 18.789 19.000 -0.389 0.000 1.318 257 A HN 0.618 nan 8.150 nan 0.000 0.589 258 D N 1.505 121.375 120.400 -0.883 0.000 2.346 258 D HA 0.230 4.848 4.640 -0.036 0.000 0.260 258 D C -1.644 174.408 176.300 -0.413 0.000 1.252 258 D CA -1.658 51.835 54.000 -0.845 0.000 0.895 258 D CB 1.325 41.994 40.800 -0.217 0.000 1.097 258 D HN 0.043 nan 8.370 nan 0.000 0.489 259 P HA -0.112 nan 4.420 nan 0.000 0.221 259 P C 0.831 178.075 177.300 -0.092 0.000 1.145 259 P CA 0.936 63.948 63.100 -0.147 0.000 0.795 259 P CB 0.184 31.846 31.700 -0.063 0.000 0.775 260 A N -0.665 122.121 122.820 -0.057 0.000 2.121 260 A HA -0.050 4.248 4.320 -0.036 0.000 0.218 260 A C 1.498 179.030 177.584 -0.087 0.000 1.154 260 A CA 1.858 53.871 52.037 -0.039 0.000 0.679 260 A CB -1.202 17.809 19.000 0.019 0.000 0.795 260 A HN 0.336 nan 8.150 nan 0.000 0.458 261 T N -3.566 110.920 114.554 -0.113 0.000 3.571 261 T HA 0.489 4.818 4.350 -0.036 0.000 0.292 261 T C 0.639 175.238 174.700 -0.168 0.000 0.994 261 T CA 0.215 62.226 62.100 -0.148 0.000 0.996 261 T CB -0.124 68.738 68.868 -0.010 0.000 1.185 261 T HN 0.468 nan 8.240 nan 0.000 0.482 262 G N 0.703 109.383 108.800 -0.200 0.000 2.750 262 G HA2 0.402 4.340 3.960 -0.036 0.000 0.250 262 G HA3 0.402 4.340 3.960 -0.036 0.000 0.250 262 G C -0.886 173.878 174.900 -0.228 0.000 1.230 262 G CA -0.495 44.494 45.100 -0.185 0.000 0.883 262 G HN 0.512 nan 8.290 nan 0.000 0.573 263 Y N -0.211 120.066 120.300 -0.039 0.000 2.313 263 Y HA 0.272 4.798 4.550 -0.041 0.000 0.332 263 Y C 0.883 176.773 175.900 -0.017 0.000 1.071 263 Y CA -0.247 57.850 58.100 -0.005 0.000 1.169 263 Y CB 1.258 39.699 38.460 -0.032 0.000 1.192 263 Y HN 0.444 nan 8.280 nan 0.000 0.487 264 E N 3.584 123.878 120.200 0.157 0.000 2.180 264 E HA 0.389 4.718 4.350 -0.036 0.000 0.283 264 E C -0.693 176.022 176.600 0.193 0.000 1.061 264 E CA -0.407 56.069 56.400 0.127 0.000 0.861 264 E CB 0.701 30.468 29.700 0.110 0.000 1.056 264 E HN 0.490 nan 8.360 nan 0.000 0.407 265 V N -0.173 119.763 119.914 0.037 0.000 3.156 265 V HA 0.624 4.722 4.120 -0.036 0.000 0.310 265 V C -0.667 175.310 176.094 -0.195 0.000 1.234 265 V CA -1.011 61.140 62.300 -0.249 0.000 1.065 265 V CB 2.071 33.666 31.823 -0.380 0.000 1.088 265 V HN 0.243 nan 8.190 nan 0.000 0.451 266 V N 2.820 122.518 119.914 -0.361 0.000 2.409 266 V HA 0.507 4.605 4.120 -0.036 0.000 0.290 266 V C -0.802 175.186 176.094 -0.177 0.000 1.017 266 V CA -0.275 61.933 62.300 -0.155 0.000 0.841 266 V CB 1.245 33.043 31.823 -0.041 0.000 1.003 266 V HN 0.672 nan 8.190 nan 0.000 0.426 267 I N 3.748 124.251 120.570 -0.111 0.000 2.312 267 I HA 0.406 4.554 4.170 -0.036 0.000 0.290 267 I C 0.441 176.531 176.117 -0.045 0.000 1.008 267 I CA -0.482 60.770 61.300 -0.081 0.000 1.226 267 I CB 0.844 38.806 38.000 -0.065 0.000 1.371 267 I HN 0.617 nan 8.210 nan 0.000 0.468 268 D N 5.972 126.352 120.400 -0.033 0.000 2.704 268 D HA -0.191 4.427 4.640 -0.036 0.000 0.232 268 D C 1.365 177.654 176.300 -0.018 0.000 1.183 268 D CA 1.581 55.570 54.000 -0.018 0.000 0.647 268 D CB -0.784 40.010 40.800 -0.009 0.000 1.013 268 D HN 1.121 nan 8.370 nan 0.000 0.415 269 G N -0.155 108.633 108.800 -0.021 0.000 2.253 269 G HA2 -0.356 3.583 3.960 -0.036 0.000 0.251 269 G HA3 -0.356 3.583 3.960 -0.036 0.000 0.251 269 G C 0.149 175.042 174.900 -0.012 0.000 0.998 269 G CA 0.446 45.538 45.100 -0.013 0.000 0.621 269 G HN 0.644 nan 8.290 nan 0.000 0.524 270 E N 1.123 121.312 120.200 -0.018 0.000 2.156 270 E HA 0.646 4.974 4.350 -0.036 0.000 0.279 270 E C 0.632 177.222 176.600 -0.017 0.000 0.965 270 E CA -0.170 56.221 56.400 -0.015 0.000 0.789 270 E CB 1.029 30.720 29.700 -0.015 0.000 1.098 270 E HN 0.783 nan 8.360 nan 0.000 0.397 271 A N 3.855 126.671 122.820 -0.006 0.000 2.511 271 A HA 0.318 4.616 4.320 -0.036 0.000 0.242 271 A C 0.254 177.832 177.584 -0.010 0.000 1.069 271 A CA 0.495 52.533 52.037 0.001 0.000 0.763 271 A CB 0.780 19.786 19.000 0.010 0.000 1.001 271 A HN 0.675 nan 8.150 nan 0.000 0.498 272 T N 0.371 114.917 114.554 -0.013 0.000 2.718 272 T HA 0.490 4.818 4.350 -0.036 0.000 0.306 272 T C -1.721 172.970 174.700 -0.016 0.000 1.485 272 T CA -0.289 61.799 62.100 -0.020 0.000 0.997 272 T CB 1.040 69.890 68.868 -0.029 0.000 1.504 272 T HN 0.900 nan 8.240 nan 0.000 0.497 273 V N 3.751 123.653 119.914 -0.020 0.000 2.443 273 V HA 0.643 4.741 4.120 -0.036 0.000 0.293 273 V C 0.029 176.114 176.094 -0.016 0.000 1.021 273 V CA -0.661 61.630 62.300 -0.015 0.000 0.848 273 V CB 0.919 32.721 31.823 -0.036 0.000 0.998 273 V HN 0.776 nan 8.190 nan 0.000 0.424 274 I N 1.691 122.265 120.570 0.007 0.000 3.206 274 I HA 1.092 5.240 4.170 -0.036 0.000 0.313 274 I C 0.278 176.406 176.117 0.019 0.000 1.103 274 I CA -0.705 60.584 61.300 -0.017 0.000 0.985 274 I CB 2.418 40.384 38.000 -0.057 0.000 1.240 274 I HN 0.626 nan 8.210 nan 0.000 0.464 275 G N -0.264 108.493 108.800 -0.071 0.000 2.976 275 G HA2 0.734 4.672 3.960 -0.036 0.000 0.276 275 G HA3 0.734 4.672 3.960 -0.036 0.000 0.276 275 G C -0.434 174.310 174.900 -0.261 0.000 1.207 275 G CA -0.626 44.387 45.100 -0.146 0.000 0.803 275 G HN 1.644 nan 8.290 nan 0.000 0.572 276 G N -2.276 106.211 108.800 -0.521 0.000 2.629 276 G HA2 0.338 4.276 3.960 -0.036 0.000 0.686 276 G HA3 0.338 4.276 3.960 -0.036 0.000 0.686 276 G C 0.801 175.554 174.900 -0.245 0.000 1.232 276 G CA 0.527 45.392 45.100 -0.391 0.000 0.803 276 G HN 1.919 nan 8.290 nan 0.000 0.638 277 T N -1.559 113.005 114.554 0.017 0.000 3.025 277 T HA -0.017 4.312 4.350 -0.036 0.000 0.270 277 T C 2.401 177.067 174.700 -0.056 0.000 1.126 277 T CA 2.135 64.257 62.100 0.037 0.000 1.105 277 T CB -0.230 68.733 68.868 0.159 0.000 0.884 277 T HN 1.109 nan 8.240 nan 0.000 0.522 278 S N 1.889 117.520 115.700 -0.116 0.000 2.419 278 S HA 0.028 4.476 4.470 -0.036 0.000 0.235 278 S C 2.387 176.860 174.600 -0.211 0.000 1.019 278 S CA 0.950 59.036 58.200 -0.190 0.000 0.982 278 S CB -0.534 62.457 63.200 -0.349 0.000 0.789 278 S HN 0.831 nan 8.310 nan 0.000 0.490 279 A N 0.681 123.342 122.820 -0.266 0.000 2.081 279 A HA 0.227 4.526 4.320 -0.036 0.000 0.214 279 A C 2.143 179.520 177.584 -0.346 0.000 1.158 279 A CA 0.423 52.214 52.037 -0.411 0.000 0.724 279 A CB -0.292 18.254 19.000 -0.756 0.000 0.826 279 A HN 0.358 nan 8.150 nan 0.000 0.463 280 V N -0.149 119.611 119.914 -0.257 0.000 2.488 280 V HA -0.129 3.970 4.120 -0.036 0.000 0.246 280 V C 2.944 178.830 176.094 -0.346 0.000 1.046 280 V CA 1.554 63.631 62.300 -0.372 0.000 1.053 280 V CB -1.301 30.337 31.823 -0.308 0.000 0.679 280 V HN 0.520 nan 8.190 nan 0.000 0.458 281 A N 1.314 124.051 122.820 -0.139 0.000 1.865 281 A HA -0.110 4.188 4.320 -0.036 0.000 0.217 281 A C 0.668 178.258 177.584 0.010 0.000 1.191 281 A CA 2.168 54.193 52.037 -0.021 0.000 0.623 281 A CB -1.969 17.051 19.000 0.033 0.000 0.826 281 A HN 0.565 nan 8.150 nan 0.000 0.444 282 P HA -0.117 nan 4.420 nan 0.000 0.218 282 P C 1.646 178.993 177.300 0.078 0.000 1.149 282 P CA 0.859 63.991 63.100 0.053 0.000 0.817 282 P CB -0.161 31.548 31.700 0.015 0.000 0.785 283 L N -1.311 119.898 121.223 -0.022 0.000 2.017 283 L HA -0.112 4.206 4.340 -0.036 0.000 0.208 283 L C 2.096 179.191 176.870 0.374 0.000 1.073 283 L CA 2.121 57.019 54.840 0.097 0.000 0.745 283 L CB -1.271 40.727 42.059 -0.103 0.000 0.894 283 L HN -0.197 nan 8.230 nan 0.000 0.432 284 F N -0.126 119.941 119.950 0.196 0.000 2.416 284 F HA 0.189 4.695 4.527 -0.035 0.000 0.296 284 F C 2.527 178.356 175.800 0.048 0.000 1.099 284 F CA 0.261 58.321 58.000 0.100 0.000 1.427 284 F CB -1.708 37.318 39.000 0.044 0.000 1.079 284 F HN 0.193 nan 8.300 nan 0.000 0.536 285 A N 0.458 123.427 122.820 0.247 0.000 1.917 285 A HA -0.147 4.151 4.320 -0.036 0.000 0.219 285 A C 2.504 180.179 177.584 0.151 0.000 1.182 285 A CA 2.130 54.264 52.037 0.162 0.000 0.633 285 A CB -1.181 17.909 19.000 0.150 0.000 0.819 285 A HN 0.276 nan 8.150 nan 0.000 0.448 286 A N -0.788 122.172 122.820 0.232 0.000 1.930 286 A HA 0.054 4.352 4.320 -0.036 0.000 0.217 286 A C 2.105 179.777 177.584 0.146 0.000 1.175 286 A CA 1.613 53.796 52.037 0.244 0.000 0.627 286 A CB -0.545 18.676 19.000 0.369 0.000 0.815 286 A HN 0.729 nan 8.150 nan 0.000 0.443 287 L N 0.113 121.348 121.223 0.019 0.000 1.994 287 L HA -0.119 4.199 4.340 -0.036 0.000 0.208 287 L C 2.346 179.088 176.870 -0.214 0.000 1.071 287 L CA 2.135 56.715 54.840 -0.434 0.000 0.745 287 L CB -0.756 40.824 42.059 -0.799 0.000 0.892 287 L HN 0.139 nan 8.230 nan 0.000 0.431 288 V N 0.389 120.239 119.914 -0.106 0.000 2.332 288 V HA -0.327 3.771 4.120 -0.036 0.000 0.248 288 V C 2.841 178.904 176.094 -0.052 0.000 1.055 288 V CA 1.729 63.984 62.300 -0.075 0.000 1.038 288 V CB -1.518 30.286 31.823 -0.031 0.000 0.651 288 V HN 0.652 nan 8.190 nan 0.000 0.450 289 A N -0.122 122.682 122.820 -0.025 0.000 1.902 289 A HA -0.214 4.084 4.320 -0.036 0.000 0.217 289 A C 2.383 179.951 177.584 -0.027 0.000 1.181 289 A CA 1.744 53.764 52.037 -0.029 0.000 0.623 289 A CB -0.481 18.499 19.000 -0.033 0.000 0.818 289 A HN 0.511 nan 8.150 nan 0.000 0.443 290 R N -0.623 119.866 120.500 -0.017 0.000 2.081 290 R HA -0.055 4.264 4.340 -0.036 0.000 0.235 290 R C 1.981 178.257 176.300 -0.039 0.000 1.131 290 R CA 1.582 57.675 56.100 -0.012 0.000 0.960 290 R CB -0.502 29.803 30.300 0.008 0.000 0.856 290 R HN 0.567 nan 8.270 nan 0.000 0.436 291 I N 1.269 121.797 120.570 -0.071 0.000 2.252 291 I HA -0.268 3.880 4.170 -0.036 0.000 0.245 291 I C 1.668 177.753 176.117 -0.055 0.000 1.102 291 I CA 1.010 62.265 61.300 -0.075 0.000 1.385 291 I CB -0.326 37.610 38.000 -0.107 0.000 1.064 291 I HN 0.157 nan 8.210 nan 0.000 0.414 292 N N 0.656 119.327 118.700 -0.048 0.000 2.104 292 N HA -0.265 4.453 4.740 -0.036 0.000 0.190 292 N C 1.757 177.249 175.510 -0.031 0.000 1.024 292 N CA 1.220 54.248 53.050 -0.038 0.000 0.853 292 N CB -0.457 38.009 38.487 -0.035 0.000 1.008 292 N HN 0.457 nan 8.380 nan 0.000 0.424 293 Q N 0.694 120.478 119.800 -0.028 0.000 2.061 293 Q HA -0.206 4.112 4.340 -0.036 0.000 0.204 293 Q C 1.795 177.784 176.000 -0.019 0.000 0.984 293 Q CA 1.681 57.471 55.803 -0.021 0.000 0.846 293 Q CB 0.009 28.738 28.738 -0.015 0.000 0.902 293 Q HN 0.042 nan 8.270 nan 0.000 0.421 294 K N 0.637 121.024 120.400 -0.023 0.000 2.026 294 K HA -0.103 4.195 4.320 -0.036 0.000 0.208 294 K C 1.951 178.536 176.600 -0.024 0.000 1.048 294 K CA 1.385 57.658 56.287 -0.022 0.000 0.929 294 K CB -0.488 31.995 32.500 -0.027 0.000 0.713 294 K HN 0.318 nan 8.250 nan 0.000 0.439 295 L N -0.875 120.331 121.223 -0.029 0.000 2.275 295 L HA 0.020 4.338 4.340 -0.036 0.000 0.215 295 L C 1.404 178.262 176.870 -0.021 0.000 1.119 295 L CA 0.915 55.739 54.840 -0.027 0.000 0.790 295 L CB -0.406 41.633 42.059 -0.032 0.000 0.919 295 L HN 0.634 nan 8.230 nan 0.000 0.443 296 G N 0.535 109.324 108.800 -0.019 0.000 2.162 296 G HA2 -0.294 3.644 3.960 -0.036 0.000 0.260 296 G HA3 -0.294 3.644 3.960 -0.036 0.000 0.260 296 G C 0.194 175.085 174.900 -0.014 0.000 0.976 296 G CA 0.698 45.789 45.100 -0.015 0.000 0.655 296 G HN 0.473 nan 8.290 nan 0.000 0.533 297 K N -1.449 118.941 120.400 -0.017 0.000 2.587 297 K HA 0.726 5.024 4.320 -0.036 0.000 0.276 297 K C -0.322 176.268 176.600 -0.017 0.000 0.956 297 K CA -0.332 55.946 56.287 -0.014 0.000 0.857 297 K CB 0.854 33.347 32.500 -0.011 0.000 1.431 297 K HN 1.297 nan 8.250 nan 0.000 0.420 298 A N 1.803 124.614 122.820 -0.014 0.000 2.492 298 A HA 0.269 4.567 4.320 -0.036 0.000 0.254 298 A C 1.271 178.847 177.584 -0.014 0.000 1.091 298 A CA 0.063 52.092 52.037 -0.014 0.000 0.768 298 A CB 0.055 19.051 19.000 -0.007 0.000 1.028 298 A HN 0.989 nan 8.150 nan 0.000 0.498 299 V N 2.385 122.287 119.914 -0.021 0.000 2.667 299 V HA 0.388 4.486 4.120 -0.036 0.000 0.252 299 V C 1.401 177.490 176.094 -0.009 0.000 1.065 299 V CA 1.522 63.806 62.300 -0.026 0.000 1.083 299 V CB -1.851 29.944 31.823 -0.046 0.000 0.692 299 V HN 2.556 nan 8.190 nan 0.000 0.468 300 G N -0.143 108.661 108.800 0.008 0.000 2.525 300 G HA2 -0.357 3.581 3.960 -0.036 0.000 0.248 300 G HA3 -0.357 3.581 3.960 -0.036 0.000 0.248 300 G C -0.367 174.580 174.900 0.079 0.000 1.238 300 G CA 0.256 45.384 45.100 0.047 0.000 0.926 300 G HN 1.289 nan 8.290 nan 0.000 0.574 301 Y N 1.651 121.927 120.300 -0.040 0.000 2.650 301 Y HA 0.489 5.017 4.550 -0.038 0.000 0.342 301 Y C 1.495 177.327 175.900 -0.114 0.000 1.110 301 Y CA 0.134 58.198 58.100 -0.059 0.000 1.438 301 Y CB 0.040 38.495 38.460 -0.008 0.000 1.181 301 Y HN 0.473 nan 8.280 nan 0.000 0.526 302 L N 4.758 125.821 121.223 -0.267 0.000 2.590 302 L HA 0.009 4.327 4.340 -0.036 0.000 0.227 302 L C 1.530 178.075 176.870 -0.542 0.000 1.099 302 L CA 0.007 54.638 54.840 -0.349 0.000 0.872 302 L CB -0.074 41.880 42.059 -0.174 0.000 1.088 302 L HN 0.522 nan 8.230 nan 0.000 0.479 303 N N 0.948 119.127 118.700 -0.869 0.000 2.018 303 N HA -0.167 4.551 4.740 -0.036 0.000 0.196 303 N C -0.887 174.043 175.510 -0.967 0.000 1.043 303 N CA 1.678 54.180 53.050 -0.915 0.000 0.856 303 N CB -1.499 36.188 38.487 -1.333 0.000 1.042 303 N HN 0.151 nan 8.380 nan 0.000 0.423 304 P HA -0.058 nan 4.420 nan 0.000 0.215 304 P C 1.325 178.468 177.300 -0.261 0.000 1.153 304 P CA 1.551 64.216 63.100 -0.726 0.000 0.853 304 P CB -0.127 31.180 31.700 -0.654 0.000 0.788 305 T N -0.155 114.226 114.554 -0.287 0.000 2.684 305 T HA -0.149 4.179 4.350 -0.036 0.000 0.267 305 T C 1.718 176.400 174.700 -0.031 0.000 1.036 305 T CA 1.200 63.221 62.100 -0.131 0.000 1.148 305 T CB -1.025 67.753 68.868 -0.150 0.000 0.863 305 T HN 0.048 nan 8.240 nan 0.000 0.436 306 L N -0.576 120.626 121.223 -0.036 0.000 2.042 306 L HA -0.132 4.186 4.340 -0.036 0.000 0.210 306 L C 2.173 179.070 176.870 0.045 0.000 1.076 306 L CA 1.542 56.406 54.840 0.041 0.000 0.749 306 L CB -0.580 41.451 42.059 -0.047 0.000 0.893 306 L HN 0.324 nan 8.230 nan 0.000 0.432 307 Y N -0.807 119.506 120.300 0.022 0.000 2.578 307 Y HA -0.091 4.436 4.550 -0.039 0.000 0.297 307 Y C 2.301 178.268 175.900 0.113 0.000 1.176 307 Y CA 0.498 58.643 58.100 0.076 0.000 1.315 307 Y CB 0.067 38.596 38.460 0.115 0.000 1.031 307 Y HN 0.213 nan 8.280 nan 0.000 0.524 308 Q N -0.629 119.290 119.800 0.198 0.000 2.246 308 Q HA 0.208 4.526 4.340 -0.036 0.000 0.222 308 Q C 0.367 176.437 176.000 0.117 0.000 0.851 308 Q CA 0.064 55.963 55.803 0.161 0.000 0.945 308 Q CB 0.606 29.417 28.738 0.122 0.000 1.122 308 Q HN 0.393 nan 8.270 nan 0.000 0.508 309 L N 2.906 124.203 121.223 0.123 0.000 2.499 309 L HA 0.040 4.359 4.340 -0.036 0.000 0.281 309 L C -1.789 175.141 176.870 0.101 0.000 1.234 309 L CA -1.153 53.734 54.840 0.079 0.000 0.839 309 L CB -0.268 41.816 42.059 0.042 0.000 1.104 309 L HN -0.081 nan 8.230 nan 0.000 0.500 310 P HA 0.020 nan 4.420 nan 0.000 0.269 310 P C 0.109 177.456 177.300 0.078 0.000 1.215 310 P CA -0.162 62.959 63.100 0.035 0.000 0.780 310 P CB 0.701 32.392 31.700 -0.015 0.000 0.898 311 A N 2.609 125.502 122.820 0.122 0.000 1.986 311 A HA -0.217 4.081 4.320 -0.036 0.000 0.220 311 A C 1.406 179.065 177.584 0.125 0.000 1.171 311 A CA 2.121 54.274 52.037 0.193 0.000 0.640 311 A CB -1.297 17.775 19.000 0.121 0.000 0.811 311 A HN 0.688 nan 8.150 nan 0.000 0.451 312 D N -0.904 119.505 120.400 0.015 0.000 2.324 312 D HA 0.101 4.719 4.640 -0.036 0.000 0.235 312 D C 0.873 177.092 176.300 -0.134 0.000 1.095 312 D CA 0.413 54.402 54.000 -0.019 0.000 0.871 312 D CB -0.349 40.443 40.800 -0.013 0.000 0.906 312 D HN 0.165 nan 8.370 nan 0.000 0.522 313 V N -0.577 119.141 119.914 -0.326 0.000 3.406 313 V HA 0.135 4.234 4.120 -0.036 0.000 0.263 313 V C 0.031 175.642 176.094 -0.805 0.000 1.172 313 V CA 0.636 62.549 62.300 -0.645 0.000 1.140 313 V CB -0.722 30.545 31.823 -0.927 0.000 0.784 313 V HN 0.074 nan 8.190 nan 0.000 0.467 314 F N -1.588 118.339 119.950 -0.039 0.000 2.579 314 F HA 0.475 4.982 4.527 -0.034 0.000 0.324 314 F C 0.269 176.099 175.800 0.050 0.000 1.058 314 F CA -1.250 56.730 58.000 -0.034 0.000 0.944 314 F CB 0.836 39.790 39.000 -0.077 0.000 1.245 314 F HN -0.148 nan 8.300 nan 0.000 0.477 315 H N 1.893 121.055 119.070 0.154 0.000 2.741 315 H HA 0.110 4.644 4.556 -0.036 0.000 0.282 315 H C -0.898 174.484 175.328 0.089 0.000 1.122 315 H CA -0.767 55.345 56.048 0.106 0.000 1.293 315 H CB 0.392 30.222 29.762 0.112 0.000 1.415 315 H HN 0.574 nan 8.280 nan 0.000 0.472 316 D N 4.715 125.020 120.400 -0.158 0.000 2.458 316 D HA 0.025 4.643 4.640 -0.036 0.000 0.243 316 D C -0.278 175.800 176.300 -0.370 0.000 1.146 316 D CA -0.000 53.879 54.000 -0.202 0.000 0.877 316 D CB 0.538 41.278 40.800 -0.100 0.000 1.176 316 D HN 0.452 nan 8.370 nan 0.000 0.461 317 I N 2.502 122.925 120.570 -0.245 0.000 2.336 317 I HA 0.165 4.313 4.170 -0.036 0.000 0.292 317 I C 1.454 177.492 176.117 -0.132 0.000 0.991 317 I CA 0.020 61.202 61.300 -0.196 0.000 1.227 317 I CB 1.823 39.756 38.000 -0.113 0.000 1.366 317 I HN 0.502 nan 8.210 nan 0.000 0.466 318 T N 0.453 114.951 114.554 -0.093 0.000 3.004 318 T HA 0.394 4.722 4.350 -0.036 0.000 0.266 318 T C 0.405 175.086 174.700 -0.032 0.000 0.986 318 T CA -0.243 61.822 62.100 -0.059 0.000 0.902 318 T CB -0.057 68.785 68.868 -0.043 0.000 1.118 318 T HN 0.445 nan 8.240 nan 0.000 0.522 319 E N 0.532 120.720 120.200 -0.020 0.000 2.227 319 E HA 0.635 4.963 4.350 -0.036 0.000 0.268 319 E C 0.126 176.729 176.600 0.005 0.000 0.907 319 E CA -0.485 55.913 56.400 -0.002 0.000 0.786 319 E CB 1.869 31.576 29.700 0.011 0.000 1.191 319 E HN 0.537 nan 8.360 nan 0.000 0.411 320 G N 1.889 110.691 108.800 0.005 0.000 2.498 320 G HA2 -0.076 3.862 3.960 -0.036 0.000 0.651 320 G HA3 -0.076 3.862 3.960 -0.036 0.000 0.651 320 G C -1.209 173.688 174.900 -0.005 0.000 1.284 320 G CA -0.430 44.674 45.100 0.006 0.000 0.950 320 G HN 0.787 nan 8.290 nan 0.000 0.511 321 N N -1.534 117.161 118.700 -0.009 0.000 2.732 321 N HA 0.652 5.370 4.740 -0.036 0.000 0.259 321 N C 0.033 175.528 175.510 -0.026 0.000 1.402 321 N CA -0.211 52.830 53.050 -0.015 0.000 0.829 321 N CB 1.248 39.720 38.487 -0.024 0.000 1.495 321 N HN 0.862 nan 8.380 nan 0.000 0.511 322 N N -1.252 117.436 118.700 -0.020 0.000 2.291 322 N HA 0.101 4.819 4.740 -0.036 0.000 0.244 322 N C -1.196 174.294 175.510 -0.032 0.000 1.216 322 N CA -0.242 52.782 53.050 -0.043 0.000 0.879 322 N CB 0.037 38.515 38.487 -0.015 0.000 1.167 322 N HN 0.606 nan 8.380 nan 0.000 0.515 323 D N 1.450 121.832 120.400 -0.031 0.000 2.317 323 D HA 0.127 4.745 4.640 -0.036 0.000 0.252 323 D C 1.116 177.407 176.300 -0.015 0.000 1.174 323 D CA -0.315 53.684 54.000 -0.002 0.000 0.866 323 D CB 0.964 41.754 40.800 -0.017 0.000 1.127 323 D HN 0.462 nan 8.370 nan 0.000 0.467 324 I N 0.681 121.250 120.570 -0.002 0.000 4.147 324 I HA 0.394 4.542 4.170 -0.036 0.000 0.329 324 I C 0.966 177.084 176.117 0.002 0.000 1.424 324 I CA -0.438 60.848 61.300 -0.023 0.000 1.127 324 I CB 0.834 38.798 38.000 -0.061 0.000 1.128 324 I HN 0.218 nan 8.210 nan 0.000 0.417 325 A N 1.351 124.189 122.820 0.030 0.000 2.192 325 A HA 0.376 4.674 4.320 -0.036 0.000 0.208 325 A C 0.589 178.183 177.584 0.016 0.000 1.220 325 A CA 0.694 52.743 52.037 0.019 0.000 0.900 325 A CB -0.171 18.837 19.000 0.013 0.000 0.937 325 A HN 0.671 nan 8.150 nan 0.000 0.487 326 N N -2.082 116.638 118.700 0.034 0.000 3.316 326 N HA 0.347 5.065 4.740 -0.036 0.000 0.300 326 N C -0.256 175.265 175.510 0.018 0.000 1.567 326 N CA -0.835 52.230 53.050 0.024 0.000 0.821 326 N CB 0.363 38.870 38.487 0.034 0.000 1.748 326 N HN -0.069 nan 8.380 nan 0.000 0.603 327 R N -0.708 119.798 120.500 0.011 0.000 2.468 327 R HA 0.390 4.708 4.340 -0.036 0.000 0.280 327 R C 0.456 176.753 176.300 -0.005 0.000 0.963 327 R CA 0.204 56.304 56.100 0.001 0.000 1.083 327 R CB 0.234 30.534 30.300 -0.000 0.000 1.200 327 R HN 0.610 nan 8.270 nan 0.000 0.541 328 A N 1.634 124.455 122.820 0.001 0.000 2.239 328 A HA -0.109 4.190 4.320 -0.036 0.000 0.209 328 A C 0.654 178.204 177.584 -0.056 0.000 1.171 328 A CA 0.247 52.273 52.037 -0.017 0.000 0.768 328 A CB -0.213 18.790 19.000 0.006 0.000 0.790 328 A HN 0.447 nan 8.150 nan 0.000 0.478 329 Q N -1.029 118.739 119.800 -0.053 0.000 2.457 329 Q HA -0.172 4.146 4.340 -0.036 0.000 0.283 329 Q C -0.667 175.242 176.000 -0.151 0.000 1.234 329 Q CA 0.484 56.243 55.803 -0.074 0.000 0.877 329 Q CB -1.624 27.086 28.738 -0.047 0.000 1.250 329 Q HN 0.539 nan 8.270 nan 0.000 0.481 330 I N 1.411 121.823 120.570 -0.265 0.000 2.297 330 I HA 0.248 4.396 4.170 -0.036 0.000 0.291 330 I C 0.319 176.090 176.117 -0.577 0.000 1.033 330 I CA -0.151 60.767 61.300 -0.638 0.000 1.253 330 I CB -0.284 37.066 38.000 -1.083 0.000 1.396 330 I HN 0.048 nan 8.210 nan 0.000 0.476 331 Y N 4.360 124.541 120.300 -0.197 0.000 2.496 331 Y HA 0.461 4.983 4.550 -0.046 0.000 0.331 331 Y C 0.667 176.504 175.900 -0.105 0.000 1.140 331 Y CA -0.610 57.399 58.100 -0.151 0.000 1.166 331 Y CB 1.206 39.590 38.460 -0.127 0.000 1.249 331 Y HN 0.495 nan 8.280 nan 0.000 0.479 332 Q N 1.693 121.540 119.800 0.078 0.000 2.348 332 Q HA 0.808 5.126 4.340 -0.036 0.000 0.271 332 Q C -1.185 174.814 176.000 -0.002 0.000 1.067 332 Q CA -1.061 54.753 55.803 0.018 0.000 0.839 332 Q CB 2.015 30.754 28.738 0.002 0.000 1.354 332 Q HN 0.831 nan 8.270 nan 0.000 0.447 333 A N 1.360 124.164 122.820 -0.027 0.000 2.296 333 A HA 0.825 5.123 4.320 -0.036 0.000 0.264 333 A C 0.262 177.824 177.584 -0.038 0.000 1.097 333 A CA 0.494 52.497 52.037 -0.057 0.000 0.811 333 A CB 0.503 19.468 19.000 -0.058 0.000 1.072 333 A HN 0.999 nan 8.150 nan 0.000 0.495 334 G N -1.499 107.271 108.800 -0.050 0.000 2.342 334 G HA2 0.505 4.444 3.960 -0.036 0.000 0.297 334 G HA3 0.505 4.444 3.960 -0.036 0.000 0.297 334 G C -3.489 171.393 174.900 -0.029 0.000 1.313 334 G CA -0.762 44.323 45.100 -0.025 0.000 0.830 334 G HN 0.508 nan 8.290 nan 0.000 0.506 335 P HA 0.380 nan 4.420 nan 0.000 0.264 335 P C 0.954 178.262 177.300 0.013 0.000 1.183 335 P CA 2.141 65.240 63.100 -0.002 0.000 0.763 335 P CB 0.726 32.434 31.700 0.013 0.000 0.807 336 G N 2.294 111.097 108.800 0.005 0.000 2.598 336 G HA2 -0.255 3.683 3.960 -0.036 0.000 0.244 336 G HA3 -0.255 3.683 3.960 -0.036 0.000 0.244 336 G C -0.806 174.107 174.900 0.022 0.000 1.302 336 G CA -0.377 44.742 45.100 0.031 0.000 0.903 336 G HN 0.618 nan 8.290 nan 0.000 0.575 337 W N 2.675 123.926 121.300 -0.081 0.000 2.295 337 W HA 0.438 5.079 4.660 -0.033 0.000 0.335 337 W C 0.613 177.103 176.519 -0.048 0.000 1.351 337 W CA 1.087 58.384 57.345 -0.080 0.000 1.273 337 W CB 0.187 29.638 29.460 -0.014 0.000 1.214 337 W HN 0.899 nan 8.180 nan 0.000 0.563 338 D N 4.366 124.279 120.400 -0.812 0.000 2.552 338 D HA 0.383 5.001 4.640 -0.036 0.000 0.239 338 D C -2.548 172.946 176.300 -1.342 0.000 1.139 338 D CA -1.969 51.631 54.000 -0.667 0.000 0.914 338 D CB 1.751 42.373 40.800 -0.296 0.000 1.461 338 D HN 0.037 nan 8.370 nan 0.000 0.462 339 P HA 0.182 nan 4.420 nan 0.000 0.258 339 P C 0.029 177.102 177.300 -0.378 0.000 1.403 339 P CA 0.082 62.806 63.100 -0.626 0.000 0.826 339 P CB -0.135 31.231 31.700 -0.556 0.000 1.414 340 C N -2.029 117.060 119.300 -0.350 0.000 2.378 340 C HA 0.112 4.550 4.460 -0.036 0.000 0.389 340 C C 1.986 176.867 174.990 -0.181 0.000 1.394 340 C CA 1.216 60.129 59.018 -0.175 0.000 2.275 340 C CB -0.622 27.059 27.740 -0.099 0.000 2.567 340 C HN 0.294 nan 8.230 nan 0.000 0.556 341 T N -2.496 111.882 114.554 -0.294 0.000 3.058 341 T HA 0.484 4.812 4.350 -0.036 0.000 0.278 341 T C 1.104 175.580 174.700 -0.373 0.000 0.974 341 T CA 1.107 63.066 62.100 -0.234 0.000 0.893 341 T CB 0.254 69.025 68.868 -0.162 0.000 1.138 341 T HN 0.875 nan 8.240 nan 0.000 0.529 342 G N 2.768 111.128 108.800 -0.733 0.000 2.583 342 G HA2 -0.318 3.620 3.960 -0.036 0.000 0.292 342 G HA3 -0.318 3.620 3.960 -0.036 0.000 0.292 342 G C 0.621 175.095 174.900 -0.711 0.000 1.203 342 G CA 0.310 44.813 45.100 -0.995 0.000 0.987 342 G HN 0.514 nan 8.290 nan 0.000 0.554 343 L N 2.496 123.455 121.223 -0.439 0.000 2.465 343 L HA 0.417 4.736 4.340 -0.036 0.000 0.224 343 L C 1.847 178.396 176.870 -0.535 0.000 1.145 343 L CA 1.150 55.628 54.840 -0.603 0.000 0.834 343 L CB -1.018 40.356 42.059 -1.141 0.000 0.944 343 L HN 1.867 nan 8.230 nan 0.000 0.451 344 G N -0.496 108.100 108.800 -0.340 0.000 2.384 344 G HA2 -0.171 3.768 3.960 -0.036 0.000 0.204 344 G HA3 -0.171 3.768 3.960 -0.036 0.000 0.204 344 G C -0.559 174.297 174.900 -0.073 0.000 1.237 344 G CA -0.292 44.706 45.100 -0.171 0.000 1.060 344 G HN 0.201 nan 8.290 nan 0.000 0.514 345 S N 1.560 117.264 115.700 0.006 0.000 2.525 345 S HA 0.768 5.217 4.470 -0.036 0.000 0.278 345 S C -2.202 172.380 174.600 -0.031 0.000 1.234 345 S CA -0.741 57.407 58.200 -0.087 0.000 1.058 345 S CB 2.253 65.304 63.200 -0.249 0.000 0.983 345 S HN 0.738 nan 8.310 nan 0.000 0.495 346 P HA 0.346 nan 4.420 nan 0.000 0.274 346 P C -0.831 176.389 177.300 -0.133 0.000 1.231 346 P CA -0.560 62.446 63.100 -0.157 0.000 0.790 346 P CB 0.528 31.984 31.700 -0.407 0.000 0.951 347 I N 1.811 122.292 120.570 -0.148 0.000 2.347 347 I HA 0.186 4.334 4.170 -0.036 0.000 0.283 347 I C 1.875 177.936 176.117 -0.093 0.000 1.058 347 I CA -0.322 60.946 61.300 -0.055 0.000 1.202 347 I CB 0.795 38.757 38.000 -0.063 0.000 1.386 347 I HN 0.452 nan 8.210 nan 0.000 0.475 348 G N 4.954 113.740 108.800 -0.023 0.000 2.529 348 G HA2 -0.257 3.681 3.960 -0.036 0.000 0.219 348 G HA3 -0.257 3.681 3.960 -0.036 0.000 0.219 348 G C 1.529 176.369 174.900 -0.100 0.000 1.177 348 G CA 1.595 46.630 45.100 -0.109 0.000 0.773 348 G HN 0.560 nan 8.290 nan 0.000 0.573 349 V N -0.905 118.986 119.914 -0.038 0.000 2.407 349 V HA -0.078 4.020 4.120 -0.036 0.000 0.248 349 V C 2.616 178.661 176.094 -0.082 0.000 1.055 349 V CA 2.065 64.338 62.300 -0.046 0.000 1.049 349 V CB -0.692 31.121 31.823 -0.016 0.000 0.662 349 V HN 0.348 nan 8.190 nan 0.000 0.455 350 R N 0.100 120.537 120.500 -0.105 0.000 2.115 350 R HA 0.097 4.415 4.340 -0.036 0.000 0.226 350 R C 2.247 178.439 176.300 -0.180 0.000 1.100 350 R CA 1.367 57.384 56.100 -0.137 0.000 0.980 350 R CB -0.511 29.694 30.300 -0.158 0.000 0.875 350 R HN 0.518 nan 8.270 nan 0.000 0.445 351 L N 1.150 122.244 121.223 -0.216 0.000 2.056 351 L HA -0.102 4.217 4.340 -0.036 0.000 0.207 351 L C 1.994 178.767 176.870 -0.163 0.000 1.078 351 L CA 1.470 56.174 54.840 -0.227 0.000 0.749 351 L CB -0.492 41.410 42.059 -0.260 0.000 0.901 351 L HN 0.117 nan 8.230 nan 0.000 0.433 352 L N -0.538 120.600 121.223 -0.141 0.000 2.046 352 L HA -0.170 4.148 4.340 -0.036 0.000 0.208 352 L C 2.406 179.223 176.870 -0.089 0.000 1.077 352 L CA 1.682 56.458 54.840 -0.108 0.000 0.747 352 L CB -0.862 41.143 42.059 -0.091 0.000 0.896 352 L HN 0.365 nan 8.230 nan 0.000 0.432 353 Q N -0.043 119.705 119.800 -0.087 0.000 2.170 353 Q HA -0.095 4.224 4.340 -0.036 0.000 0.203 353 Q C 2.270 178.226 176.000 -0.073 0.000 0.976 353 Q CA 1.559 57.320 55.803 -0.071 0.000 0.858 353 Q CB -0.544 28.155 28.738 -0.065 0.000 0.907 353 Q HN 0.703 nan 8.270 nan 0.000 0.433 354 A N 0.420 123.184 122.820 -0.092 0.000 2.014 354 A HA -0.043 4.256 4.320 -0.036 0.000 0.218 354 A C 2.033 179.572 177.584 -0.074 0.000 1.163 354 A CA 0.679 52.665 52.037 -0.086 0.000 0.652 354 A CB -0.341 18.591 19.000 -0.112 0.000 0.808 354 A HN 0.286 nan 8.150 nan 0.000 0.449 355 L N -0.562 120.613 121.223 -0.079 0.000 2.509 355 L HA 0.190 4.508 4.340 -0.036 0.000 0.222 355 L C 0.301 177.138 176.870 -0.055 0.000 1.123 355 L CA -0.224 54.574 54.840 -0.070 0.000 0.856 355 L CB -0.156 41.854 42.059 -0.080 0.000 0.985 355 L HN 0.263 nan 8.230 nan 0.000 0.456 356 L N 0.815 122.006 121.223 -0.053 0.000 2.436 356 L HA 0.225 4.543 4.340 -0.036 0.000 0.265 356 L C -1.588 175.261 176.870 -0.035 0.000 1.168 356 L CA -1.876 52.939 54.840 -0.042 0.000 0.815 356 L CB 0.073 42.109 42.059 -0.040 0.000 1.109 356 L HN -0.093 nan 8.230 nan 0.000 0.462 357 P HA 0.339 nan 4.420 nan 0.000 0.270 357 P C -0.593 176.694 177.300 -0.022 0.000 1.227 357 P CA -0.038 63.048 63.100 -0.023 0.000 0.788 357 P CB 0.807 32.495 31.700 -0.019 0.000 0.926 358 S N 0.000 115.688 115.700 -0.019 0.000 2.498 358 S HA 0.000 4.448 4.470 -0.036 0.000 0.327 358 S CA 0.000 nan 58.200 nan 0.000 1.107 358 S CB 0.000 nan 63.200 nan 0.000 0.593 358 S HN 0.000 nan 8.310 nan 0.000 0.517