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 3mkv_1_B DATA FIRST_RESID 2 DATA SEQUENCE TTFLFRNGAL LDPDHPDLLQ GFEILIEDGF IREVSDKPIK SSNAHVIDVK DATA SEQUENCE GKTIMPGLID LHVHVVAIEF NLPRVATLPN VLVTLRAVPI MRAMLRRGFT DATA SEQUENCE TVRDAGGAGY PFKQAVESGL VEGPRLFVSG RALSQTGGHA DPRARSDYMP DATA SEQUENCE PDSPCGCCVR VGALGRVADG VDEVRRAVRE ELQMGADQIX IMASGGVASP DATA SEQUENCE TDPVGVFGYS EDEIRAIVAE AQGRGTYVLA HAYTPAAIAR AVRCGVRTIE DATA SEQUENCE HGNLIDDETA RLVAEHGAYV VPTLVTYDAL ASEGEKYGLP PESIAKIADV DATA SEQUENCE HGAGLHSIEI MKRAGVKMGF GTDLLGEAQR LQSDEFRILA EVLSPAEVIA DATA SEQUENCE SATIVSAEVL GMQDKLGRIV PGAHADVLVV DGNPLKSVDC LLGQGEHIPL DATA SEQUENCE VMKDGRLFVN ELE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 T HA 0.000 nan 4.350 nan 0.000 0.228 2 T C 0.000 174.655 174.700 -0.074 0.000 1.109 2 T CA 0.000 62.072 62.100 -0.047 0.000 1.349 2 T CB 0.000 68.830 68.868 -0.063 0.000 0.612 3 T N 4.723 119.139 114.554 -0.229 0.000 2.794 3 T HA 0.746 5.096 4.350 0.000 0.000 0.280 3 T C -1.026 173.455 174.700 -0.364 0.000 0.987 3 T CA -0.245 61.767 62.100 -0.146 0.000 0.993 3 T CB 0.260 69.087 68.868 -0.068 0.000 0.939 3 T HN 0.431 nan 8.240 nan 0.000 0.449 4 F N 2.058 122.022 119.950 0.024 0.000 2.579 4 F HA 0.757 5.285 4.527 0.000 0.000 0.324 4 F C -0.410 175.335 175.800 -0.093 0.000 1.058 4 F CA -1.242 56.718 58.000 -0.066 0.000 0.944 4 F CB 1.647 40.559 39.000 -0.147 0.000 1.245 4 F HN 0.275 nan 8.300 nan 0.000 0.477 5 L N 2.451 123.663 121.223 -0.019 0.000 2.406 5 L HA 0.592 4.932 4.340 0.000 0.000 0.272 5 L C -1.715 175.074 176.870 -0.135 0.000 0.980 5 L CA -0.318 54.513 54.840 -0.015 0.000 0.831 5 L CB 0.846 42.907 42.059 0.003 0.000 1.253 5 L HN 0.400 nan 8.230 nan 0.000 0.406 6 F N 4.627 124.622 119.950 0.076 0.000 2.404 6 F HA 0.713 5.241 4.527 0.001 0.000 0.339 6 F C 0.452 176.277 175.800 0.041 0.000 1.105 6 F CA -0.199 57.830 58.000 0.048 0.000 1.087 6 F CB 1.370 40.395 39.000 0.042 0.000 1.143 6 F HN 0.457 nan 8.300 nan 0.000 0.491 7 R N 1.679 122.294 120.500 0.192 0.000 2.710 7 R HA 0.328 4.668 4.340 0.000 0.000 0.270 7 R C -0.896 175.459 176.300 0.092 0.000 1.021 7 R CA -0.787 55.382 56.100 0.115 0.000 0.889 7 R CB 1.340 31.672 30.300 0.054 0.000 1.243 7 R HN 0.646 nan 8.270 nan 0.000 0.464 8 N N -0.337 118.406 118.700 0.072 0.000 2.727 8 N HA -0.143 4.597 4.740 0.000 0.000 0.251 8 N C -1.447 174.098 175.510 0.060 0.000 1.040 8 N CA 1.509 54.592 53.050 0.054 0.000 0.712 8 N CB -0.741 37.767 38.487 0.036 0.000 0.912 8 N HN 0.827 nan 8.380 nan 0.000 0.545 9 G N -1.636 107.207 108.800 0.072 0.000 2.684 9 G HA2 0.800 4.760 3.960 0.000 0.000 0.290 9 G HA3 0.800 4.760 3.960 0.000 0.000 0.290 9 G C -1.086 173.845 174.900 0.051 0.000 1.425 9 G CA -0.119 45.014 45.100 0.055 0.000 0.822 9 G HN 0.550 nan 8.290 nan 0.000 0.482 10 A N -0.275 122.558 122.820 0.021 0.000 2.401 10 A HA 0.624 4.944 4.320 0.000 0.000 0.259 10 A C -0.432 177.135 177.584 -0.029 0.000 1.103 10 A CA -0.239 51.802 52.037 0.007 0.000 0.789 10 A CB 0.981 19.974 19.000 -0.012 0.000 1.035 10 A HN 1.371 nan 8.150 nan 0.000 0.491 11 L N 2.922 124.113 121.223 -0.052 0.000 2.307 11 L HA 0.617 4.957 4.340 0.000 0.000 0.284 11 L C -0.749 176.033 176.870 -0.148 0.000 1.023 11 L CA -0.421 54.342 54.840 -0.130 0.000 0.810 11 L CB 1.234 43.158 42.059 -0.225 0.000 1.231 11 L HN 0.646 nan 8.230 nan 0.000 0.423 12 L N 5.152 126.288 121.223 -0.144 0.000 2.276 12 L HA 0.481 4.821 4.340 0.000 0.000 0.286 12 L C -1.219 175.573 176.870 -0.129 0.000 1.024 12 L CA -0.237 54.527 54.840 -0.126 0.000 0.826 12 L CB 0.842 42.828 42.059 -0.123 0.000 1.211 12 L HN 0.677 nan 8.230 nan 0.000 0.422 13 D N 6.595 126.931 120.400 -0.107 0.000 2.471 13 D HA 0.327 4.968 4.640 0.000 0.000 0.245 13 D C -1.983 174.276 176.300 -0.068 0.000 1.116 13 D CA -2.130 51.819 54.000 -0.085 0.000 0.853 13 D CB 2.335 43.099 40.800 -0.059 0.000 1.123 13 D HN 0.210 nan 8.370 nan 0.000 0.540 14 P HA -0.120 nan 4.420 nan 0.000 0.217 14 P C 0.611 177.849 177.300 -0.102 0.000 1.148 14 P CA 0.933 63.986 63.100 -0.079 0.000 0.834 14 P CB 0.427 32.084 31.700 -0.073 0.000 0.783 15 D N -2.577 117.730 120.400 -0.154 0.000 2.277 15 D HA -0.063 4.578 4.640 0.000 0.000 0.208 15 D C 0.382 176.395 176.300 -0.477 0.000 0.962 15 D CA 1.054 54.873 54.000 -0.302 0.000 0.865 15 D CB -0.164 40.412 40.800 -0.374 0.000 0.939 15 D HN 0.340 nan 8.370 nan 0.000 0.510 16 H N -0.244 118.795 119.070 -0.053 0.000 2.675 16 H HA 0.252 4.809 4.556 0.000 0.000 0.258 16 H C -2.187 173.110 175.328 -0.052 0.000 1.271 16 H CA -1.590 54.430 56.048 -0.048 0.000 1.462 16 H CB 1.391 31.120 29.762 -0.055 0.000 1.467 16 H HN -0.113 nan 8.280 nan 0.000 0.501 17 P HA 0.102 nan 4.420 nan 0.000 0.228 17 P C -0.305 176.997 177.300 0.003 0.000 1.748 17 P CA 0.404 63.503 63.100 -0.002 0.000 0.909 17 P CB 0.076 31.768 31.700 -0.013 0.000 1.882 18 D N -0.908 119.498 120.400 0.009 0.000 2.581 18 D HA 0.320 4.960 4.640 0.000 0.000 0.232 18 D C -0.662 175.626 176.300 -0.019 0.000 1.143 18 D CA -0.642 53.356 54.000 -0.004 0.000 0.881 18 D CB 1.523 42.327 40.800 0.007 0.000 1.500 18 D HN -0.141 nan 8.370 nan 0.000 0.458 19 L N 2.019 123.227 121.223 -0.024 0.000 2.418 19 L HA 0.247 4.587 4.340 0.000 0.000 0.274 19 L C -0.208 176.651 176.870 -0.019 0.000 1.135 19 L CA -0.244 54.576 54.840 -0.034 0.000 0.870 19 L CB 0.188 42.230 42.059 -0.029 0.000 1.154 19 L HN 0.264 nan 8.230 nan 0.000 0.462 20 L N 4.220 125.417 121.223 -0.043 0.000 2.260 20 L HA 0.264 4.604 4.340 0.000 0.000 0.289 20 L C 0.179 177.119 176.870 0.116 0.000 1.057 20 L CA -0.430 54.410 54.840 -0.000 0.000 0.811 20 L CB 0.981 42.930 42.059 -0.184 0.000 1.184 20 L HN 0.566 nan 8.230 nan 0.000 0.429 21 Q N 1.663 121.553 119.800 0.150 0.000 2.312 21 Q HA 0.434 4.774 4.340 0.000 0.000 0.236 21 Q C 0.880 177.001 176.000 0.203 0.000 0.965 21 Q CA 0.781 56.668 55.803 0.140 0.000 0.894 21 Q CB 1.448 30.230 28.738 0.073 0.000 1.225 21 Q HN 0.737 nan 8.270 nan 0.000 0.478 22 G N 1.356 110.228 108.800 0.121 0.000 2.221 22 G HA2 -0.273 3.687 3.960 0.000 0.000 0.265 22 G HA3 -0.273 3.687 3.960 0.000 0.000 0.265 22 G C -0.431 174.442 174.900 -0.045 0.000 1.041 22 G CA 0.178 45.294 45.100 0.026 0.000 0.807 22 G HN 0.368 nan 8.290 nan 0.000 0.502 23 F N 0.010 119.963 119.950 0.005 0.000 2.483 23 F HA 0.677 5.204 4.527 0.000 0.000 0.329 23 F C 0.741 176.560 175.800 0.032 0.000 1.064 23 F CA -0.630 57.378 58.000 0.012 0.000 0.986 23 F CB 1.490 40.492 39.000 0.003 0.000 1.218 23 F HN 0.087 nan 8.300 nan 0.000 0.484 24 E N 2.286 122.623 120.200 0.229 0.000 2.317 24 E HA 0.606 4.957 4.350 0.000 0.000 0.270 24 E C -1.413 175.318 176.600 0.218 0.000 0.885 24 E CA -0.781 55.730 56.400 0.185 0.000 0.760 24 E CB 3.121 32.883 29.700 0.102 0.000 1.227 24 E HN 0.374 nan 8.360 nan 0.000 0.434 25 I N 2.441 123.155 120.570 0.240 0.000 2.478 25 I HA 0.244 4.415 4.170 0.000 0.000 0.287 25 I C -1.166 175.123 176.117 0.287 0.000 1.042 25 I CA -0.916 60.532 61.300 0.247 0.000 1.067 25 I CB 1.549 39.671 38.000 0.203 0.000 1.233 25 I HN 0.222 nan 8.210 nan 0.000 0.431 26 L N 7.967 129.318 121.223 0.214 0.000 2.262 26 L HA 0.528 4.868 4.340 0.000 0.000 0.288 26 L C -0.663 176.340 176.870 0.222 0.000 1.035 26 L CA -0.177 54.780 54.840 0.195 0.000 0.820 26 L CB 0.455 42.593 42.059 0.132 0.000 1.204 26 L HN 0.327 nan 8.230 nan 0.000 0.424 27 I N 5.065 125.804 120.570 0.282 0.000 2.353 27 I HA 0.438 4.608 4.170 0.000 0.000 0.293 27 I C 0.004 176.281 176.117 0.267 0.000 0.992 27 I CA -0.287 61.198 61.300 0.307 0.000 1.268 27 I CB 1.224 39.477 38.000 0.423 0.000 1.387 27 I HN 0.766 nan 8.210 nan 0.000 0.478 28 E N 3.618 123.964 120.200 0.243 0.000 2.311 28 E HA 0.327 4.678 4.350 0.000 0.000 0.281 28 E C -0.769 175.970 176.600 0.232 0.000 0.905 28 E CA -0.560 55.959 56.400 0.199 0.000 0.778 28 E CB 1.635 31.411 29.700 0.127 0.000 1.240 28 E HN 0.493 nan 8.360 nan 0.000 0.410 29 D N 2.203 122.731 120.400 0.212 0.000 3.076 29 D HA -0.195 4.445 4.640 0.000 0.000 0.218 29 D C 0.869 177.373 176.300 0.341 0.000 1.156 29 D CA 2.985 57.123 54.000 0.230 0.000 0.921 29 D CB -1.132 39.782 40.800 0.191 0.000 1.113 29 D HN 1.322 nan 8.370 nan 0.000 0.418 30 G N -2.429 106.547 108.800 0.292 0.000 2.195 30 G HA2 -0.218 3.742 3.960 0.000 0.000 0.224 30 G HA3 -0.218 3.742 3.960 0.000 0.000 0.224 30 G C 0.261 175.137 174.900 -0.039 0.000 0.990 30 G CA 0.049 45.244 45.100 0.157 0.000 0.639 30 G HN 0.450 nan 8.290 nan 0.000 0.514 31 F N 0.740 120.767 119.950 0.128 0.000 2.556 31 F HA 0.700 5.227 4.527 0.000 0.000 0.327 31 F C 0.700 176.554 175.800 0.091 0.000 1.059 31 F CA -1.527 56.521 58.000 0.080 0.000 0.953 31 F CB 1.196 40.208 39.000 0.021 0.000 1.227 31 F HN -0.162 nan 8.300 nan 0.000 0.478 32 I N 2.469 123.180 120.570 0.235 0.000 2.452 32 I HA 0.126 4.296 4.170 0.000 0.000 0.287 32 I C 0.865 177.084 176.117 0.171 0.000 1.079 32 I CA 0.166 61.571 61.300 0.175 0.000 1.387 32 I CB 0.954 39.021 38.000 0.112 0.000 1.404 32 I HN 0.688 nan 8.210 nan 0.000 0.522 33 R N 4.527 125.120 120.500 0.156 0.000 2.103 33 R HA 0.219 4.560 4.340 0.000 0.000 0.212 33 R C 0.126 176.484 176.300 0.096 0.000 1.107 33 R CA 1.090 57.261 56.100 0.117 0.000 1.025 33 R CB 0.451 30.817 30.300 0.111 0.000 0.929 33 R HN 0.654 nan 8.270 nan 0.000 0.456 34 E N -1.010 119.254 120.200 0.108 0.000 2.356 34 E HA 0.431 4.781 4.350 0.000 0.000 0.275 34 E C -1.666 175.008 176.600 0.124 0.000 0.904 34 E CA -0.863 55.597 56.400 0.101 0.000 0.757 34 E CB 3.084 32.834 29.700 0.084 0.000 1.232 34 E HN -0.193 nan 8.360 nan 0.000 0.442 35 V N 1.717 121.712 119.914 0.135 0.000 2.488 35 V HA 0.445 4.565 4.120 0.000 0.000 0.293 35 V C -0.648 175.594 176.094 0.248 0.000 1.027 35 V CA -0.535 61.885 62.300 0.199 0.000 0.862 35 V CB 1.603 33.523 31.823 0.162 0.000 1.008 35 V HN 0.534 nan 8.190 nan 0.000 0.428 36 S N 1.784 117.614 115.700 0.217 0.000 2.569 36 S HA 0.490 4.960 4.470 0.000 0.000 0.280 36 S C 0.226 174.643 174.600 -0.305 0.000 1.111 36 S CA -0.440 57.783 58.200 0.038 0.000 0.887 36 S CB 1.864 65.061 63.200 -0.005 0.000 1.095 36 S HN 0.968 nan 8.310 nan 0.000 0.476 37 D N 1.550 121.518 120.400 -0.720 0.000 2.340 37 D HA 0.139 4.779 4.640 0.000 0.000 0.220 37 D C -0.115 175.926 176.300 -0.431 0.000 1.039 37 D CA 0.408 53.782 54.000 -1.044 0.000 0.866 37 D CB 0.028 40.142 40.800 -1.143 0.000 0.913 37 D HN 0.188 nan 8.370 nan 0.000 0.523 38 K N 0.692 120.940 120.400 -0.253 0.000 2.221 38 K HA 0.420 4.740 4.320 0.000 0.000 0.258 38 K C -2.677 173.871 176.600 -0.086 0.000 0.944 38 K CA -2.414 53.789 56.287 -0.139 0.000 0.823 38 K CB 1.689 34.130 32.500 -0.099 0.000 1.113 38 K HN -0.176 nan 8.250 nan 0.000 0.431 39 P HA -0.125 nan 4.420 nan 0.000 0.261 39 P C -0.713 176.579 177.300 -0.014 0.000 1.158 39 P CA 0.730 63.813 63.100 -0.028 0.000 0.758 39 P CB 0.282 31.967 31.700 -0.025 0.000 0.763 40 I N 3.519 124.091 120.570 0.004 0.000 2.385 40 I HA 0.218 4.388 4.170 0.000 0.000 0.294 40 I C 0.868 176.991 176.117 0.011 0.000 0.988 40 I CA -0.817 60.491 61.300 0.014 0.000 1.265 40 I CB 1.110 39.133 38.000 0.039 0.000 1.388 40 I HN 0.060 nan 8.210 nan 0.000 0.480 41 K N 4.690 125.095 120.400 0.009 0.000 2.263 41 K HA 0.413 4.733 4.320 0.000 0.000 0.282 41 K C -0.703 175.901 176.600 0.007 0.000 1.089 41 K CA -0.125 56.164 56.287 0.004 0.000 0.907 41 K CB 1.202 33.703 32.500 0.001 0.000 1.148 41 K HN 0.486 nan 8.250 nan 0.000 0.470 42 S N 1.135 116.837 115.700 0.003 0.000 2.387 42 S HA 0.080 4.551 4.470 0.000 0.000 0.211 42 S C 0.569 175.164 174.600 -0.009 0.000 1.055 42 S CA -0.488 57.713 58.200 0.001 0.000 1.133 42 S CB 0.783 63.989 63.200 0.009 0.000 1.235 42 S HN 0.475 nan 8.310 nan 0.000 0.425 43 S N 1.940 117.634 115.700 -0.010 0.000 2.481 43 S HA -0.039 4.432 4.470 0.000 0.000 0.231 43 S C 1.073 175.662 174.600 -0.019 0.000 0.996 43 S CA 0.482 58.673 58.200 -0.014 0.000 0.942 43 S CB -0.180 63.013 63.200 -0.012 0.000 0.768 43 S HN 0.697 nan 8.310 nan 0.000 0.520 44 N N 1.611 120.299 118.700 -0.021 0.000 3.301 44 N HA 0.488 5.228 4.740 0.000 0.000 0.289 44 N C -0.933 174.549 175.510 -0.045 0.000 1.343 44 N CA -0.130 52.902 53.050 -0.030 0.000 1.136 44 N CB -0.022 38.450 38.487 -0.025 0.000 1.402 44 N HN 0.213 nan 8.380 nan 0.000 0.516 45 A N 1.133 123.921 122.820 -0.054 0.000 2.573 45 A HA 0.236 4.556 4.320 0.000 0.000 0.299 45 A C -1.508 176.033 177.584 -0.072 0.000 1.060 45 A CA -0.830 51.156 52.037 -0.085 0.000 0.736 45 A CB 0.188 19.156 19.000 -0.054 0.000 1.280 45 A HN 0.618 nan 8.150 nan 0.000 0.401 46 H N 1.264 120.179 119.070 -0.257 0.000 3.046 46 H HA 0.400 4.956 4.556 0.000 0.000 0.303 46 H C -0.269 175.005 175.328 -0.091 0.000 1.002 46 H CA 0.960 56.896 56.048 -0.187 0.000 1.460 46 H CB 0.479 30.080 29.762 -0.268 0.000 1.493 46 H HN 0.430 nan 8.280 nan 0.000 0.559 47 V N 7.995 127.639 119.914 -0.449 0.000 2.432 47 V HA 0.192 4.312 4.120 0.000 0.000 0.275 47 V C 0.372 176.190 176.094 -0.461 0.000 1.043 47 V CA -0.477 61.619 62.300 -0.340 0.000 0.925 47 V CB 0.927 32.633 31.823 -0.194 0.000 0.985 47 V HN 0.659 nan 8.190 nan 0.000 0.466 48 I N 3.867 124.231 120.570 -0.343 0.000 2.355 48 I HA 0.319 4.489 4.170 0.000 0.000 0.288 48 I C -0.407 175.656 176.117 -0.090 0.000 0.999 48 I CA -0.340 60.806 61.300 -0.256 0.000 1.163 48 I CB 1.577 39.372 38.000 -0.343 0.000 1.316 48 I HN 0.509 nan 8.210 nan 0.000 0.454 49 D N 5.632 126.002 120.400 -0.050 0.000 2.411 49 D HA 0.188 4.828 4.640 0.000 0.000 0.225 49 D C 0.849 177.173 176.300 0.040 0.000 1.156 49 D CA -0.101 53.901 54.000 0.003 0.000 0.874 49 D CB 1.354 42.149 40.800 -0.009 0.000 1.034 49 D HN 0.259 nan 8.370 nan 0.000 0.502 50 V N 4.408 124.370 119.914 0.079 0.000 2.913 50 V HA -0.123 3.998 4.120 0.000 0.000 0.260 50 V C 1.151 177.277 176.094 0.053 0.000 1.098 50 V CA 0.696 63.049 62.300 0.088 0.000 1.121 50 V CB -0.892 31.001 31.823 0.117 0.000 0.714 50 V HN 0.823 nan 8.190 nan 0.000 0.487 51 K N -0.227 120.198 120.400 0.042 0.000 3.148 51 K HA -0.257 4.064 4.320 0.000 0.000 0.267 51 K C 1.033 177.648 176.600 0.025 0.000 0.996 51 K CA 0.451 56.755 56.287 0.029 0.000 0.737 51 K CB -1.872 30.643 32.500 0.024 0.000 1.308 51 K HN 0.875 nan 8.250 nan 0.000 0.470 52 G N -0.289 108.527 108.800 0.027 0.000 2.179 52 G HA2 -0.345 3.615 3.960 0.000 0.000 0.260 52 G HA3 -0.345 3.615 3.960 0.000 0.000 0.260 52 G C 0.165 175.072 174.900 0.010 0.000 0.977 52 G CA 0.801 45.912 45.100 0.018 0.000 0.641 52 G HN 0.377 nan 8.290 nan 0.000 0.533 53 K N 0.689 121.097 120.400 0.014 0.000 2.138 53 K HA 0.504 4.824 4.320 0.000 0.000 0.251 53 K C 0.555 177.149 176.600 -0.010 0.000 1.015 53 K CA 0.100 56.389 56.287 0.002 0.000 0.917 53 K CB 0.405 32.913 32.500 0.013 0.000 1.021 53 K HN 0.113 nan 8.250 nan 0.000 0.485 54 T N 1.867 116.401 114.554 -0.034 0.000 2.869 54 T HA 0.284 4.635 4.350 0.000 0.000 0.295 54 T C 0.224 174.875 174.700 -0.083 0.000 0.987 54 T CA -0.221 61.843 62.100 -0.059 0.000 1.109 54 T CB 0.262 69.082 68.868 -0.079 0.000 0.932 54 T HN 0.291 nan 8.240 nan 0.000 0.518 55 I N 4.538 125.042 120.570 -0.110 0.000 2.355 55 I HA 0.410 4.580 4.170 0.000 0.000 0.288 55 I C 0.217 176.220 176.117 -0.189 0.000 0.999 55 I CA -0.610 60.581 61.300 -0.182 0.000 1.163 55 I CB 0.856 38.721 38.000 -0.224 0.000 1.316 55 I HN 0.577 nan 8.210 nan 0.000 0.454 56 M N 6.692 126.173 119.600 -0.198 0.000 2.727 56 M HA 0.768 5.248 4.480 0.000 0.000 0.300 56 M C -2.888 173.300 176.300 -0.188 0.000 1.246 56 M CA -2.108 53.082 55.300 -0.184 0.000 0.835 56 M CB 1.811 34.304 32.600 -0.178 0.000 1.755 56 M HN -0.017 nan 8.290 nan 0.000 0.473 57 P HA 0.237 nan 4.420 nan 0.000 0.272 57 P C -0.026 177.183 177.300 -0.152 0.000 1.230 57 P CA -0.028 62.988 63.100 -0.140 0.000 0.788 57 P CB 0.251 31.885 31.700 -0.109 0.000 0.949 58 G N 1.436 110.159 108.800 -0.129 0.000 2.554 58 G HA2 0.265 4.225 3.960 0.000 0.000 0.238 58 G HA3 0.265 4.225 3.960 0.000 0.000 0.238 58 G C -0.313 174.494 174.900 -0.156 0.000 1.259 58 G CA -0.488 44.528 45.100 -0.140 0.000 0.843 58 G HN 0.388 nan 8.290 nan 0.000 0.582 59 L N 0.631 121.709 121.223 -0.241 0.000 2.418 59 L HA 0.456 4.796 4.340 0.000 0.000 0.265 59 L C 0.281 177.150 176.870 -0.003 0.000 1.143 59 L CA -0.339 54.331 54.840 -0.283 0.000 0.809 59 L CB 1.005 42.585 42.059 -0.798 0.000 1.124 59 L HN 0.289 nan 8.230 nan 0.000 0.456 60 I N 1.291 121.931 120.570 0.118 0.000 2.465 60 I HA 0.299 4.469 4.170 0.000 0.000 0.291 60 I C -0.987 175.351 176.117 0.368 0.000 1.014 60 I CA -0.475 60.954 61.300 0.215 0.000 1.093 60 I CB 2.133 40.172 38.000 0.064 0.000 1.267 60 I HN 0.501 nan 8.210 nan 0.000 0.431 61 D N 6.489 127.071 120.400 0.304 0.000 2.425 61 D HA 0.335 4.975 4.640 0.000 0.000 0.240 61 D C 0.319 176.646 176.300 0.045 0.000 1.080 61 D CA -0.346 53.773 54.000 0.199 0.000 0.836 61 D CB 1.957 42.681 40.800 -0.127 0.000 1.125 61 D HN 0.469 nan 8.370 nan 0.000 0.525 62 L N 2.637 123.884 121.223 0.040 0.000 2.554 62 L HA 0.089 4.429 4.340 0.000 0.000 0.226 62 L C 0.321 177.163 176.870 -0.046 0.000 1.137 62 L CA 0.367 55.194 54.840 -0.021 0.000 0.863 62 L CB -0.064 41.982 42.059 -0.021 0.000 0.985 62 L HN 0.430 nan 8.230 nan 0.000 0.451 63 H N -0.215 118.751 119.070 -0.172 0.000 2.852 63 H HA 0.422 4.978 4.556 0.000 0.000 0.274 63 H C -1.005 174.148 175.328 -0.291 0.000 1.321 63 H CA -0.586 55.324 56.048 -0.230 0.000 1.582 63 H CB 0.873 30.506 29.762 -0.215 0.000 1.699 63 H HN -0.107 nan 8.280 nan 0.000 0.546 64 V N 0.957 120.655 119.914 -0.360 0.000 3.074 64 V HA 0.584 4.704 4.120 0.000 0.000 0.314 64 V C -0.870 174.855 176.094 -0.616 0.000 1.117 64 V CA -0.770 61.326 62.300 -0.340 0.000 1.014 64 V CB 2.548 34.222 31.823 -0.247 0.000 1.057 64 V HN 0.700 nan 8.190 nan 0.000 0.438 65 H N 1.749 120.750 119.070 -0.116 0.000 2.791 65 H HA 0.412 4.968 4.556 0.000 0.000 0.272 65 H C 0.709 175.939 175.328 -0.162 0.000 1.188 65 H CA -0.242 55.731 56.048 -0.124 0.000 1.436 65 H CB 1.779 31.491 29.762 -0.084 0.000 1.467 65 H HN 0.544 nan 8.280 nan 0.000 0.500 66 V N 2.813 122.643 119.914 -0.140 0.000 2.380 66 V HA -0.230 3.890 4.120 0.000 0.000 0.251 66 V C 2.222 178.186 176.094 -0.217 0.000 1.063 66 V CA 2.308 64.463 62.300 -0.241 0.000 1.055 66 V CB -0.268 31.303 31.823 -0.420 0.000 0.657 66 V HN 0.621 nan 8.190 nan 0.000 0.455 67 V N -1.899 117.931 119.914 -0.140 0.000 3.596 67 V HA 0.511 4.631 4.120 0.000 0.000 0.289 67 V C 1.129 177.187 176.094 -0.060 0.000 1.336 67 V CA 0.316 62.566 62.300 -0.083 0.000 1.137 67 V CB -0.478 31.344 31.823 -0.001 0.000 0.966 67 V HN 0.318 nan 8.190 nan 0.000 0.428 68 A N 1.875 124.656 122.820 -0.065 0.000 2.981 68 A HA 0.529 4.850 4.320 0.000 0.000 0.280 68 A C 1.070 178.569 177.584 -0.143 0.000 1.743 68 A CA 0.077 52.052 52.037 -0.104 0.000 1.430 68 A CB -1.011 17.924 19.000 -0.108 0.000 1.085 68 A HN 0.885 nan 8.150 nan 0.000 0.597 69 I N -1.127 119.374 120.570 -0.114 0.000 3.684 69 I HA 0.241 4.412 4.170 0.000 0.000 0.304 69 I C 0.406 176.442 176.117 -0.135 0.000 1.278 69 I CA 0.182 61.413 61.300 -0.115 0.000 1.272 69 I CB -0.333 37.629 38.000 -0.064 0.000 1.029 69 I HN 0.647 nan 8.210 nan 0.000 0.458 70 E N -0.608 119.493 120.200 -0.164 0.000 2.417 70 E HA 0.151 4.501 4.350 0.000 0.000 0.280 70 E C -0.810 175.697 176.600 -0.156 0.000 1.112 70 E CA -0.767 55.534 56.400 -0.166 0.000 0.863 70 E CB -0.075 29.619 29.700 -0.009 0.000 1.346 70 E HN -0.071 nan 8.360 nan 0.000 0.443 71 F N 0.609 120.547 119.950 -0.021 0.000 2.293 71 F HA -0.016 4.511 4.527 0.000 0.000 0.300 71 F C 1.442 177.233 175.800 -0.015 0.000 1.086 71 F CA 0.937 58.929 58.000 -0.012 0.000 1.375 71 F CB 0.048 39.060 39.000 0.019 0.000 1.045 71 F HN 0.380 nan 8.300 nan 0.000 0.516 72 N N 1.286 120.080 118.700 0.157 0.000 2.602 72 N HA 0.116 4.857 4.740 0.000 0.000 0.238 72 N C 0.648 176.170 175.510 0.019 0.000 1.084 72 N CA 0.142 53.239 53.050 0.079 0.000 0.952 72 N CB 0.323 38.854 38.487 0.073 0.000 1.244 72 N HN 0.198 nan 8.380 nan 0.000 0.512 73 L N 3.624 124.840 121.223 -0.013 0.000 2.109 73 L HA 0.068 4.409 4.340 0.000 0.000 0.207 73 L C -0.633 176.208 176.870 -0.048 0.000 1.086 73 L CA 0.761 55.570 54.840 -0.052 0.000 0.760 73 L CB -1.232 40.768 42.059 -0.098 0.000 0.910 73 L HN 0.367 nan 8.230 nan 0.000 0.437 74 P HA -0.198 nan 4.420 nan 0.000 0.218 74 P C 1.502 178.791 177.300 -0.019 0.000 1.148 74 P CA 1.284 64.362 63.100 -0.037 0.000 0.822 74 P CB -0.052 31.626 31.700 -0.036 0.000 0.784 75 R N -0.186 120.310 120.500 -0.008 0.000 2.115 75 R HA -0.067 4.273 4.340 0.000 0.000 0.230 75 R C 1.732 178.032 176.300 0.000 0.000 1.111 75 R CA 1.160 57.261 56.100 0.002 0.000 0.976 75 R CB -0.893 29.416 30.300 0.015 0.000 0.870 75 R HN -0.021 nan 8.270 nan 0.000 0.445 76 V N 1.185 121.094 119.914 -0.008 0.000 2.490 76 V HA -0.158 3.962 4.120 0.000 0.000 0.250 76 V C 2.333 178.424 176.094 -0.005 0.000 1.061 76 V CA 1.789 64.083 62.300 -0.009 0.000 1.064 76 V CB -0.509 31.299 31.823 -0.025 0.000 0.670 76 V HN 0.568 nan 8.190 nan 0.000 0.461 77 A N 0.404 123.218 122.820 -0.010 0.000 2.172 77 A HA -0.134 4.186 4.320 0.000 0.000 0.216 77 A C 2.312 179.897 177.584 0.001 0.000 1.154 77 A CA 1.832 53.865 52.037 -0.005 0.000 0.701 77 A CB -0.590 18.402 19.000 -0.014 0.000 0.789 77 A HN 0.646 nan 8.150 nan 0.000 0.465 78 T N -2.729 111.826 114.554 0.002 0.000 3.037 78 T HA 0.366 4.716 4.350 0.000 0.000 0.251 78 T C 0.601 175.306 174.700 0.009 0.000 1.079 78 T CA -0.251 61.852 62.100 0.006 0.000 1.067 78 T CB -0.423 68.449 68.868 0.007 0.000 0.948 78 T HN 0.204 nan 8.240 nan 0.000 0.496 79 L N 2.302 123.531 121.223 0.010 0.000 2.461 79 L HA 0.328 4.669 4.340 0.000 0.000 0.272 79 L C -2.131 174.747 176.870 0.013 0.000 1.197 79 L CA -2.224 52.623 54.840 0.012 0.000 0.836 79 L CB -0.045 42.022 42.059 0.013 0.000 1.105 79 L HN -0.009 nan 8.230 nan 0.000 0.477 80 P HA -0.023 nan 4.420 nan 0.000 0.264 80 P C 0.025 177.334 177.300 0.015 0.000 1.179 80 P CA 0.066 63.173 63.100 0.012 0.000 0.763 80 P CB 0.397 32.103 31.700 0.011 0.000 0.806 81 N N 1.598 120.304 118.700 0.011 0.000 2.061 81 N HA -0.133 4.607 4.740 0.000 0.000 0.193 81 N C 1.665 177.183 175.510 0.013 0.000 1.030 81 N CA 1.107 54.163 53.050 0.011 0.000 0.856 81 N CB -0.864 37.622 38.487 -0.003 0.000 1.023 81 N HN 0.142 nan 8.380 nan 0.000 0.424 82 V N 1.183 121.101 119.914 0.007 0.000 2.332 82 V HA -0.189 3.931 4.120 0.000 0.000 0.248 82 V C 2.383 178.490 176.094 0.022 0.000 1.055 82 V CA 1.191 63.496 62.300 0.008 0.000 1.038 82 V CB -0.430 31.395 31.823 0.004 0.000 0.651 82 V HN 0.174 nan 8.190 nan 0.000 0.450 83 L N -0.667 120.569 121.223 0.022 0.000 2.072 83 L HA -0.082 4.258 4.340 0.000 0.000 0.205 83 L C 2.318 179.209 176.870 0.036 0.000 1.079 83 L CA 1.459 56.314 54.840 0.025 0.000 0.752 83 L CB -0.278 41.792 42.059 0.020 0.000 0.906 83 L HN 0.123 nan 8.230 nan 0.000 0.436 84 V N -1.004 118.935 119.914 0.042 0.000 2.407 84 V HA -0.304 3.816 4.120 0.000 0.000 0.248 84 V C 2.408 178.564 176.094 0.105 0.000 1.055 84 V CA 2.217 64.551 62.300 0.057 0.000 1.049 84 V CB -0.969 30.890 31.823 0.061 0.000 0.662 84 V HN 0.516 nan 8.190 nan 0.000 0.455 85 T N 0.426 115.057 114.554 0.129 0.000 2.737 85 T HA -0.090 4.261 4.350 0.000 0.000 0.265 85 T C 1.862 176.662 174.700 0.167 0.000 1.038 85 T CA 1.450 63.680 62.100 0.218 0.000 1.144 85 T CB -0.266 68.656 68.868 0.090 0.000 0.866 85 T HN 0.316 nan 8.240 nan 0.000 0.434 86 L N 0.370 121.645 121.223 0.088 0.000 2.217 86 L HA 0.012 4.352 4.340 0.000 0.000 0.211 86 L C 2.847 179.744 176.870 0.045 0.000 1.107 86 L CA 0.944 55.821 54.840 0.062 0.000 0.783 86 L CB -0.399 41.683 42.059 0.038 0.000 0.919 86 L HN 0.112 nan 8.230 nan 0.000 0.442 87 R N 0.054 120.575 120.500 0.034 0.000 2.153 87 R HA 0.012 4.352 4.340 0.000 0.000 0.218 87 R C 2.335 178.626 176.300 -0.015 0.000 1.072 87 R CA 1.077 57.180 56.100 0.006 0.000 0.990 87 R CB -0.373 29.927 30.300 -0.001 0.000 0.889 87 R HN 0.304 nan 8.270 nan 0.000 0.452 88 A N 1.133 123.950 122.820 -0.005 0.000 1.902 88 A HA -0.105 4.215 4.320 0.000 0.000 0.217 88 A C 2.419 179.960 177.584 -0.072 0.000 1.181 88 A CA 1.244 53.233 52.037 -0.080 0.000 0.623 88 A CB -0.591 18.331 19.000 -0.129 0.000 0.818 88 A HN 0.065 nan 8.150 nan 0.000 0.443 89 V N 1.258 121.176 119.914 0.008 0.000 2.252 89 V HA -0.213 3.908 4.120 0.000 0.000 0.249 89 V C 0.039 176.126 176.094 -0.012 0.000 1.056 89 V CA 2.729 65.040 62.300 0.018 0.000 1.022 89 V CB -1.498 30.357 31.823 0.052 0.000 0.641 89 V HN 0.482 nan 8.190 nan 0.000 0.445 90 P HA -0.156 nan 4.420 nan 0.000 0.216 90 P C 1.835 179.114 177.300 -0.035 0.000 1.150 90 P CA 1.701 64.793 63.100 -0.015 0.000 0.837 90 P CB -0.041 31.651 31.700 -0.012 0.000 0.786 91 I N -1.124 119.410 120.570 -0.060 0.000 2.252 91 I HA -0.200 3.970 4.170 0.000 0.000 0.245 91 I C 2.790 178.851 176.117 -0.093 0.000 1.102 91 I CA 1.423 62.673 61.300 -0.084 0.000 1.385 91 I CB -0.489 37.443 38.000 -0.113 0.000 1.064 91 I HN -0.142 nan 8.210 nan 0.000 0.414 92 M N -0.265 119.269 119.600 -0.110 0.000 2.159 92 M HA -0.233 4.248 4.480 0.000 0.000 0.263 92 M C 2.472 178.728 176.300 -0.073 0.000 1.063 92 M CA 1.643 56.874 55.300 -0.115 0.000 1.110 92 M CB -0.353 32.164 32.600 -0.137 0.000 1.374 92 M HN 0.145 nan 8.290 nan 0.000 0.411 93 R N 0.221 120.694 120.500 -0.047 0.000 2.090 93 R HA -0.057 4.284 4.340 0.000 0.000 0.228 93 R C 2.086 178.382 176.300 -0.007 0.000 1.110 93 R CA 1.302 57.389 56.100 -0.022 0.000 0.973 93 R CB -0.140 30.162 30.300 0.003 0.000 0.869 93 R HN 0.325 nan 8.270 nan 0.000 0.440 94 A N 1.044 123.858 122.820 -0.009 0.000 1.898 94 A HA -0.151 4.169 4.320 0.000 0.000 0.216 94 A C 2.187 179.792 177.584 0.034 0.000 1.181 94 A CA 1.398 53.440 52.037 0.009 0.000 0.620 94 A CB -0.413 18.584 19.000 -0.006 0.000 0.819 94 A HN 0.330 nan 8.150 nan 0.000 0.442 95 M N -1.309 118.297 119.600 0.010 0.000 2.073 95 M HA -0.198 4.283 4.480 0.000 0.000 0.258 95 M C 2.225 178.617 176.300 0.154 0.000 1.070 95 M CA 1.792 57.124 55.300 0.054 0.000 1.103 95 M CB -0.576 32.001 32.600 -0.039 0.000 1.321 95 M HN 0.441 nan 8.290 nan 0.000 0.405 96 L N 0.401 121.653 121.223 0.049 0.000 2.079 96 L HA -0.198 4.142 4.340 0.000 0.000 0.210 96 L C 2.518 179.404 176.870 0.026 0.000 1.081 96 L CA 1.862 56.704 54.840 0.004 0.000 0.752 96 L CB -0.636 41.354 42.059 -0.115 0.000 0.896 96 L HN 0.148 nan 8.230 nan 0.000 0.433 97 R N -0.131 120.394 120.500 0.042 0.000 2.120 97 R HA -0.081 4.259 4.340 0.000 0.000 0.234 97 R C 2.177 178.509 176.300 0.052 0.000 1.123 97 R CA 1.437 57.563 56.100 0.044 0.000 0.975 97 R CB -0.304 30.021 30.300 0.042 0.000 0.866 97 R HN 0.345 nan 8.270 nan 0.000 0.446 98 R N -1.458 119.110 120.500 0.114 0.000 2.313 98 R HA 0.158 4.498 4.340 0.000 0.000 0.199 98 R C 0.663 176.966 176.300 0.004 0.000 0.958 98 R CA 0.704 56.892 56.100 0.145 0.000 1.047 98 R CB 0.400 30.900 30.300 0.333 0.000 0.955 98 R HN 0.505 nan 8.270 nan 0.000 0.481 99 G N -0.040 108.733 108.800 -0.044 0.000 2.211 99 G HA2 -0.224 3.736 3.960 0.000 0.000 0.201 99 G HA3 -0.224 3.736 3.960 0.000 0.000 0.201 99 G C -0.079 174.649 174.900 -0.286 0.000 0.997 99 G CA -0.731 44.234 45.100 -0.224 0.000 0.652 99 G HN 0.176 nan 8.290 nan 0.000 0.500 100 F N 2.869 122.811 119.950 -0.015 0.000 2.439 100 F HA 0.428 4.955 4.527 0.000 0.000 0.356 100 F C 1.867 177.631 175.800 -0.060 0.000 1.161 100 F CA 0.657 58.645 58.000 -0.020 0.000 1.151 100 F CB 1.224 40.229 39.000 0.009 0.000 1.222 100 F HN 0.092 nan 8.300 nan 0.000 0.558 101 T N -2.148 112.428 114.554 0.037 0.000 3.081 101 T HA 0.138 4.488 4.350 0.000 0.000 0.250 101 T C 0.571 175.267 174.700 -0.006 0.000 1.100 101 T CA 0.160 62.240 62.100 -0.033 0.000 1.038 101 T CB -0.055 68.773 68.868 -0.067 0.000 0.962 101 T HN 0.394 nan 8.240 nan 0.000 0.516 102 T N 1.875 116.468 114.554 0.066 0.000 2.993 102 T HA 0.622 4.972 4.350 0.000 0.000 0.312 102 T C -1.104 173.665 174.700 0.115 0.000 1.115 102 T CA -0.737 61.415 62.100 0.086 0.000 1.027 102 T CB 2.225 71.147 68.868 0.091 0.000 1.116 102 T HN 0.416 nan 8.240 nan 0.000 0.464 103 V N 0.669 120.640 119.914 0.095 0.000 2.925 103 V HA 0.775 4.895 4.120 0.000 0.000 0.311 103 V C -0.662 175.468 176.094 0.060 0.000 1.104 103 V CA -1.347 60.978 62.300 0.042 0.000 0.954 103 V CB 2.122 33.922 31.823 -0.038 0.000 1.022 103 V HN 0.877 nan 8.190 nan 0.000 0.427 104 R N 2.271 122.767 120.500 -0.007 0.000 2.255 104 R HA 0.365 4.705 4.340 0.000 0.000 0.326 104 R C -0.792 175.435 176.300 -0.123 0.000 0.986 104 R CA -0.414 55.678 56.100 -0.014 0.000 0.847 104 R CB 1.001 31.267 30.300 -0.056 0.000 1.111 104 R HN 1.014 nan 8.270 nan 0.000 0.452 105 D N 3.403 123.734 120.400 -0.115 0.000 2.280 105 D HA 0.134 4.775 4.640 0.000 0.000 0.243 105 D C -0.044 176.089 176.300 -0.278 0.000 1.129 105 D CA -0.013 53.852 54.000 -0.225 0.000 0.848 105 D CB 1.729 42.443 40.800 -0.144 0.000 1.107 105 D HN 0.702 nan 8.370 nan 0.000 0.471 106 A N 2.890 125.385 122.820 -0.542 0.000 2.302 106 A HA 0.500 4.820 4.320 0.000 0.000 0.219 106 A C 0.826 178.341 177.584 -0.115 0.000 1.243 106 A CA 0.429 52.162 52.037 -0.506 0.000 0.856 106 A CB -0.174 18.106 19.000 -1.200 0.000 0.893 106 A HN 0.705 nan 8.150 nan 0.000 0.491 107 G N -3.024 105.766 108.800 -0.017 0.000 2.326 107 G HA2 0.537 4.498 3.960 0.000 0.000 0.299 107 G HA3 0.537 4.498 3.960 0.000 0.000 0.299 107 G C 0.242 175.246 174.900 0.174 0.000 1.643 107 G CA 0.197 45.367 45.100 0.116 0.000 0.916 107 G HN 1.896 nan 8.290 nan 0.000 0.700 108 G N 0.667 109.524 108.800 0.094 0.000 2.222 108 G HA2 0.464 4.424 3.960 0.000 0.000 0.218 108 G HA3 0.464 4.424 3.960 0.000 0.000 0.218 108 G C 1.074 176.031 174.900 0.095 0.000 1.450 108 G CA 1.306 46.458 45.100 0.085 0.000 1.361 108 G HN 2.598 nan 8.290 nan 0.000 0.474 109 A N 1.520 124.386 122.820 0.075 0.000 2.591 109 A HA 0.517 4.837 4.320 0.000 0.000 0.244 109 A C 1.207 178.894 177.584 0.171 0.000 1.031 109 A CA 2.074 54.208 52.037 0.162 0.000 0.767 109 A CB -0.327 18.652 19.000 -0.034 0.000 0.942 109 A HN 2.186 nan 8.150 nan 0.000 0.514 110 G N 0.065 109.007 108.800 0.237 0.000 2.702 110 G HA2 0.382 4.343 3.960 0.000 0.000 0.254 110 G HA3 0.382 4.343 3.960 0.000 0.000 0.254 110 G C 0.530 175.530 174.900 0.167 0.000 1.380 110 G CA 0.165 45.361 45.100 0.161 0.000 1.042 110 G HN 0.804 nan 8.290 nan 0.000 0.557 111 Y N 0.955 121.264 120.300 0.015 0.000 2.373 111 Y HA 0.048 4.598 4.550 0.001 0.000 0.293 111 Y C -0.200 175.688 175.900 -0.021 0.000 1.129 111 Y CA 1.392 59.486 58.100 -0.009 0.000 1.226 111 Y CB -0.466 37.978 38.460 -0.027 0.000 1.000 111 Y HN 0.276 nan 8.280 nan 0.000 0.549 112 P HA -0.183 nan 4.420 nan 0.000 0.215 112 P C 1.321 178.476 177.300 -0.242 0.000 1.153 112 P CA 1.726 64.719 63.100 -0.179 0.000 0.853 112 P CB -0.218 31.367 31.700 -0.192 0.000 0.788 113 F N 0.488 120.371 119.950 -0.111 0.000 2.102 113 F HA -0.130 4.397 4.527 0.000 0.000 0.298 113 F C 2.432 178.127 175.800 -0.174 0.000 1.105 113 F CA 1.406 59.337 58.000 -0.114 0.000 1.239 113 F CB -0.978 37.974 39.000 -0.080 0.000 0.991 113 F HN -0.160 nan 8.300 nan 0.000 0.474 114 K N 0.607 120.980 120.400 -0.045 0.000 2.074 114 K HA -0.274 4.046 4.320 0.000 0.000 0.209 114 K C 1.978 178.406 176.600 -0.287 0.000 1.048 114 K CA 2.135 58.302 56.287 -0.199 0.000 0.926 114 K CB -0.220 32.105 32.500 -0.291 0.000 0.713 114 K HN 0.494 nan 8.250 nan 0.000 0.444 115 Q N -0.853 118.691 119.800 -0.427 0.000 2.245 115 Q HA 0.035 4.375 4.340 0.000 0.000 0.201 115 Q C 1.846 177.749 176.000 -0.163 0.000 0.955 115 Q CA 0.935 56.537 55.803 -0.335 0.000 0.870 115 Q CB -0.109 28.383 28.738 -0.410 0.000 0.945 115 Q HN 0.263 nan 8.270 nan 0.000 0.461 116 A N 0.967 123.715 122.820 -0.121 0.000 2.121 116 A HA -0.015 4.305 4.320 0.000 0.000 0.218 116 A C 2.149 179.726 177.584 -0.012 0.000 1.154 116 A CA 0.938 52.944 52.037 -0.051 0.000 0.679 116 A CB -0.264 18.717 19.000 -0.031 0.000 0.795 116 A HN 0.231 nan 8.150 nan 0.000 0.458 117 V N -0.412 119.486 119.914 -0.027 0.000 2.426 117 V HA -0.079 4.042 4.120 0.000 0.000 0.242 117 V C 2.398 178.474 176.094 -0.030 0.000 1.036 117 V CA 1.502 63.787 62.300 -0.025 0.000 1.044 117 V CB -0.504 31.286 31.823 -0.055 0.000 0.688 117 V HN 0.437 nan 8.190 nan 0.000 0.462 118 E N 1.170 121.331 120.200 -0.065 0.000 2.110 118 E HA -0.166 4.184 4.350 0.000 0.000 0.193 118 E C 2.382 178.974 176.600 -0.012 0.000 0.988 118 E CA 1.774 58.144 56.400 -0.050 0.000 0.804 118 E CB -0.438 29.211 29.700 -0.084 0.000 0.745 118 E HN 0.718 nan 8.360 nan 0.000 0.458 119 S N -1.178 114.510 115.700 -0.020 0.000 2.562 119 S HA 0.193 4.663 4.470 0.000 0.000 0.221 119 S C 1.571 176.184 174.600 0.021 0.000 0.975 119 S CA 0.735 58.934 58.200 -0.001 0.000 0.918 119 S CB 0.374 63.564 63.200 -0.016 0.000 0.772 119 S HN 0.316 nan 8.310 nan 0.000 0.531 120 G N 1.086 109.907 108.800 0.036 0.000 2.175 120 G HA2 -0.241 3.719 3.960 0.000 0.000 0.244 120 G HA3 -0.241 3.719 3.960 0.000 0.000 0.244 120 G C 0.602 175.536 174.900 0.056 0.000 0.982 120 G CA 0.308 45.448 45.100 0.068 0.000 0.641 120 G HN 0.473 nan 8.290 nan 0.000 0.527 121 L N -0.296 120.946 121.223 0.032 0.000 2.079 121 L HA 0.052 4.393 4.340 0.000 0.000 0.210 121 L C 1.719 178.617 176.870 0.047 0.000 1.081 121 L CA 2.129 56.986 54.840 0.028 0.000 0.752 121 L CB -0.531 41.533 42.059 0.009 0.000 0.896 121 L HN 0.582 nan 8.230 nan 0.000 0.433 122 V N -4.279 115.670 119.914 0.058 0.000 3.102 122 V HA 0.456 4.576 4.120 0.000 0.000 0.312 122 V C -0.824 175.316 176.094 0.077 0.000 1.135 122 V CA -1.057 61.284 62.300 0.069 0.000 1.022 122 V CB 2.084 33.953 31.823 0.075 0.000 1.056 122 V HN 0.032 nan 8.190 nan 0.000 0.436 123 E N 0.974 121.218 120.200 0.074 0.000 2.129 123 E HA 0.731 5.081 4.350 0.000 0.000 0.268 123 E C -0.036 176.515 176.600 -0.082 0.000 0.900 123 E CA -0.191 56.234 56.400 0.042 0.000 0.755 123 E CB 1.833 31.654 29.700 0.202 0.000 1.117 123 E HN 1.199 nan 8.360 nan 0.000 0.410 124 G N 3.022 111.710 108.800 -0.187 0.000 2.606 124 G HA2 0.435 4.395 3.960 0.000 0.000 0.300 124 G HA3 0.435 4.395 3.960 0.000 0.000 0.300 124 G C -3.033 171.734 174.900 -0.222 0.000 1.360 124 G CA -1.100 43.896 45.100 -0.173 0.000 0.783 124 G HN 0.184 nan 8.290 nan 0.000 0.484 125 P HA 0.275 nan 4.420 nan 0.000 0.273 125 P C -0.221 177.015 177.300 -0.106 0.000 1.250 125 P CA -0.497 62.536 63.100 -0.111 0.000 0.793 125 P CB 0.512 32.193 31.700 -0.031 0.000 1.011 126 R N 1.267 121.718 120.500 -0.081 0.000 2.537 126 R HA 0.199 4.539 4.340 0.000 0.000 0.280 126 R C -0.637 175.654 176.300 -0.015 0.000 1.058 126 R CA -0.004 56.050 56.100 -0.075 0.000 1.057 126 R CB -0.450 29.815 30.300 -0.057 0.000 0.973 126 R HN 0.416 nan 8.270 nan 0.000 0.438 127 L N 5.321 126.494 121.223 -0.084 0.000 2.307 127 L HA 0.417 4.758 4.340 0.000 0.000 0.284 127 L C -0.841 175.952 176.870 -0.129 0.000 1.023 127 L CA -0.683 54.131 54.840 -0.044 0.000 0.810 127 L CB 1.246 43.263 42.059 -0.069 0.000 1.231 127 L HN 0.555 nan 8.230 nan 0.000 0.423 128 F N 2.936 122.860 119.950 -0.044 0.000 2.361 128 F HA 0.403 4.931 4.527 0.000 0.000 0.364 128 F C 0.209 175.984 175.800 -0.042 0.000 1.117 128 F CA -0.840 57.145 58.000 -0.025 0.000 1.071 128 F CB 1.701 40.693 39.000 -0.014 0.000 1.188 128 F HN 0.123 nan 8.300 nan 0.000 0.464 129 V N 0.284 120.241 119.914 0.071 0.000 2.483 129 V HA 0.489 4.609 4.120 0.000 0.000 0.295 129 V C 0.392 176.500 176.094 0.024 0.000 1.035 129 V CA -0.427 61.897 62.300 0.040 0.000 0.896 129 V CB 1.502 33.357 31.823 0.053 0.000 0.986 129 V HN 0.679 nan 8.190 nan 0.000 0.447 130 S N 2.935 118.632 115.700 -0.006 0.000 2.528 130 S HA 0.363 4.833 4.470 0.000 0.000 0.219 130 S C 1.369 175.970 174.600 0.002 0.000 0.985 130 S CA 0.658 58.843 58.200 -0.024 0.000 0.914 130 S CB -0.332 62.841 63.200 -0.044 0.000 0.776 130 S HN 1.912 nan 8.310 nan 0.000 0.526 131 G N 2.130 110.948 108.800 0.029 0.000 2.566 131 G HA2 -0.311 3.649 3.960 0.000 0.000 0.280 131 G HA3 -0.311 3.649 3.960 0.000 0.000 0.280 131 G C -0.307 174.616 174.900 0.039 0.000 1.225 131 G CA -0.284 44.842 45.100 0.043 0.000 0.966 131 G HN 0.457 nan 8.290 nan 0.000 0.560 132 R N 0.848 121.369 120.500 0.035 0.000 2.265 132 R HA 0.568 4.909 4.340 0.000 0.000 0.314 132 R C 0.869 177.192 176.300 0.039 0.000 1.053 132 R CA 0.134 56.256 56.100 0.037 0.000 0.931 132 R CB 0.977 31.296 30.300 0.031 0.000 1.024 132 R HN 1.007 nan 8.270 nan 0.000 0.457 133 A N 4.635 127.484 122.820 0.048 0.000 2.540 133 A HA 0.107 4.428 4.320 0.000 0.000 0.239 133 A C 0.134 177.761 177.584 0.072 0.000 1.061 133 A CA -0.034 52.041 52.037 0.064 0.000 0.758 133 A CB 0.145 19.192 19.000 0.077 0.000 0.991 133 A HN 0.614 nan 8.150 nan 0.000 0.502 134 L N 2.426 123.715 121.223 0.110 0.000 2.276 134 L HA 0.499 4.839 4.340 0.000 0.000 0.286 134 L C 0.592 177.580 176.870 0.197 0.000 1.061 134 L CA -0.095 54.845 54.840 0.167 0.000 0.807 134 L CB 1.122 43.307 42.059 0.211 0.000 1.177 134 L HN 0.741 nan 8.230 nan 0.000 0.429 135 S N 2.731 118.489 115.700 0.097 0.000 2.536 135 S HA 0.377 4.847 4.470 0.000 0.000 0.287 135 S C -0.585 173.883 174.600 -0.221 0.000 1.101 135 S CA -0.801 57.334 58.200 -0.108 0.000 0.950 135 S CB 1.918 65.069 63.200 -0.082 0.000 1.056 135 S HN 0.680 nan 8.310 nan 0.000 0.481 136 Q N 2.197 121.623 119.800 -0.623 0.000 2.443 136 Q HA 0.314 4.655 4.340 0.000 0.000 0.232 136 Q C -0.407 175.499 176.000 -0.156 0.000 1.026 136 Q CA -0.305 55.261 55.803 -0.394 0.000 0.924 136 Q CB -0.139 28.292 28.738 -0.512 0.000 1.256 136 Q HN 0.524 nan 8.270 nan 0.000 0.519 137 T N 1.280 115.795 114.554 -0.065 0.000 2.905 137 T HA 0.230 4.580 4.350 0.000 0.000 0.299 137 T C 1.082 175.750 174.700 -0.053 0.000 1.024 137 T CA 1.225 63.299 62.100 -0.042 0.000 1.151 137 T CB -0.160 68.701 68.868 -0.013 0.000 0.987 137 T HN 0.964 nan 8.240 nan 0.000 0.535 138 G N 2.686 111.456 108.800 -0.051 0.000 2.189 138 G HA2 -0.199 3.761 3.960 0.000 0.000 0.267 138 G HA3 -0.199 3.761 3.960 0.000 0.000 0.267 138 G C 0.562 175.436 174.900 -0.043 0.000 0.975 138 G CA 0.100 45.174 45.100 -0.044 0.000 0.644 138 G HN 1.136 nan 8.290 nan 0.000 0.537 139 G N -1.650 107.107 108.800 -0.071 0.000 2.653 139 G HA2 0.418 4.378 3.960 0.000 0.000 0.265 139 G HA3 0.418 4.378 3.960 0.000 0.000 0.265 139 G C 0.589 175.473 174.900 -0.025 0.000 1.237 139 G CA 0.565 45.624 45.100 -0.069 0.000 0.946 139 G HN 0.602 nan 8.290 nan 0.000 0.522 140 H N -0.496 118.510 119.070 -0.106 0.000 2.489 140 H HA 0.103 4.659 4.556 0.000 0.000 0.293 140 H C 2.125 177.387 175.328 -0.111 0.000 1.066 140 H CA 1.837 57.815 56.048 -0.117 0.000 1.305 140 H CB 0.183 29.812 29.762 -0.221 0.000 1.386 140 H HN 0.387 nan 8.280 nan 0.000 0.551 141 A N -0.377 122.346 122.820 -0.163 0.000 2.465 141 A HA 0.120 4.440 4.320 0.000 0.000 0.255 141 A C 0.227 177.737 177.584 -0.123 0.000 1.274 141 A CA -0.011 51.917 52.037 -0.181 0.000 0.920 141 A CB 0.089 19.034 19.000 -0.092 0.000 1.033 141 A HN 0.366 nan 8.150 nan 0.000 0.516 142 D N 1.389 121.723 120.400 -0.111 0.000 2.365 142 D HA 0.193 4.834 4.640 0.000 0.000 0.237 142 D C -1.669 174.576 176.300 -0.091 0.000 1.190 142 D CA -1.656 52.294 54.000 -0.083 0.000 0.867 142 D CB 1.421 42.180 40.800 -0.069 0.000 1.050 142 D HN 0.142 nan 8.370 nan 0.000 0.491 143 P HA 0.006 nan 4.420 nan 0.000 0.241 143 P C 0.231 177.491 177.300 -0.066 0.000 1.191 143 P CA 0.075 63.127 63.100 -0.080 0.000 0.771 143 P CB 0.478 32.139 31.700 -0.065 0.000 0.929 144 R N 0.421 120.881 120.500 -0.067 0.000 2.643 144 R HA 0.450 4.790 4.340 0.000 0.000 0.270 144 R C 0.633 176.883 176.300 -0.084 0.000 1.061 144 R CA -0.302 55.752 56.100 -0.075 0.000 1.107 144 R CB 0.353 30.602 30.300 -0.086 0.000 0.999 144 R HN 0.052 nan 8.270 nan 0.000 0.460 145 A N 2.103 124.866 122.820 -0.096 0.000 2.271 145 A HA 0.292 4.613 4.320 0.000 0.000 0.288 145 A C -0.144 177.366 177.584 -0.123 0.000 1.094 145 A CA -0.575 51.408 52.037 -0.090 0.000 0.828 145 A CB 0.587 19.545 19.000 -0.070 0.000 1.091 145 A HN 0.770 nan 8.150 nan 0.000 0.493 146 R N 0.878 121.323 120.500 -0.092 0.000 2.347 146 R HA 0.487 4.828 4.340 0.000 0.000 0.304 146 R C -0.175 176.062 176.300 -0.104 0.000 1.072 146 R CA 0.502 56.545 56.100 -0.094 0.000 0.980 146 R CB 0.404 30.670 30.300 -0.057 0.000 0.986 146 R HN 0.771 nan 8.270 nan 0.000 0.448 147 S N 0.646 116.263 115.700 -0.139 0.000 2.873 147 S HA 0.109 4.579 4.470 0.000 0.000 0.303 147 S C -1.145 173.418 174.600 -0.061 0.000 1.222 147 S CA -0.428 57.708 58.200 -0.108 0.000 0.923 147 S CB 0.937 64.001 63.200 -0.226 0.000 1.286 147 S HN 0.818 nan 8.310 nan 0.000 0.571 148 D N 0.301 120.734 120.400 0.054 0.000 2.388 148 D HA 0.206 4.846 4.640 0.000 0.000 0.221 148 D C -0.028 176.379 176.300 0.177 0.000 1.133 148 D CA 0.063 54.122 54.000 0.098 0.000 0.831 148 D CB -0.405 40.461 40.800 0.110 0.000 0.962 148 D HN 0.487 nan 8.370 nan 0.000 0.502 149 Y N -2.836 117.463 120.300 -0.002 0.000 2.597 149 Y HA 0.622 5.172 4.550 0.000 0.000 0.340 149 Y C -1.062 174.837 175.900 -0.001 0.000 1.097 149 Y CA -1.601 56.498 58.100 -0.001 0.000 1.037 149 Y CB 1.284 39.743 38.460 -0.001 0.000 1.305 149 Y HN -0.319 nan 8.280 nan 0.000 0.463 150 M N 4.941 124.570 119.600 0.049 0.000 2.036 150 M HA 0.355 4.835 4.480 0.000 0.000 0.337 150 M C -2.682 173.651 176.300 0.054 0.000 1.012 150 M CA -1.929 53.347 55.300 -0.039 0.000 0.962 150 M CB 0.539 33.134 32.600 -0.009 0.000 1.423 150 M HN 0.607 nan 8.290 nan 0.000 0.405 151 P HA 0.390 nan 4.420 nan 0.000 0.273 151 P C -2.735 174.593 177.300 0.045 0.000 1.250 151 P CA -1.090 62.075 63.100 0.109 0.000 0.793 151 P CB -0.676 31.091 31.700 0.112 0.000 1.011 152 P HA 0.019 nan 4.420 nan 0.000 0.268 152 P C 0.590 177.899 177.300 0.015 0.000 1.205 152 P CA 0.181 63.298 63.100 0.029 0.000 0.771 152 P CB 0.232 31.950 31.700 0.030 0.000 0.858 153 D N 1.929 122.334 120.400 0.008 0.000 2.133 153 D HA -0.143 4.497 4.640 0.000 0.000 0.192 153 D C 0.109 176.410 176.300 0.002 0.000 1.001 153 D CA 1.632 55.631 54.000 -0.001 0.000 0.844 153 D CB 0.031 40.832 40.800 0.001 0.000 0.944 153 D HN 0.390 nan 8.370 nan 0.000 0.447 154 S N -1.457 114.248 115.700 0.008 0.000 2.521 154 S HA 0.532 5.002 4.470 0.000 0.000 0.295 154 S C -1.800 172.807 174.600 0.012 0.000 1.098 154 S CA -1.083 57.122 58.200 0.008 0.000 0.999 154 S CB 2.333 65.538 63.200 0.008 0.000 1.034 154 S HN -0.027 nan 8.310 nan 0.000 0.483 155 P HA 0.042 nan 4.420 nan 0.000 0.213 155 P C 0.420 177.727 177.300 0.011 0.000 1.170 155 P CA 0.743 63.851 63.100 0.014 0.000 0.889 155 P CB -0.472 31.236 31.700 0.013 0.000 0.782 156 C N 1.554 120.859 119.300 0.009 0.000 3.297 156 C HA 0.361 4.821 4.460 0.000 0.000 0.533 156 C C 2.461 177.455 174.990 0.007 0.000 1.228 156 C CA -0.448 58.574 59.018 0.007 0.000 1.402 156 C CB -2.116 25.627 27.740 0.005 0.000 1.728 156 C HN 0.370 nan 8.230 nan 0.000 0.637 157 G N 1.269 110.074 108.800 0.008 0.000 2.816 157 G HA2 -0.443 3.517 3.960 0.000 0.000 0.229 157 G HA3 -0.443 3.517 3.960 0.000 0.000 0.229 157 G C 1.660 176.564 174.900 0.007 0.000 1.158 157 G CA 1.848 46.953 45.100 0.008 0.000 0.761 157 G HN 0.739 nan 8.290 nan 0.000 0.636 158 C N -0.284 119.019 119.300 0.005 0.000 2.533 158 C HA 0.468 4.928 4.460 0.000 0.000 0.272 158 C C 1.452 176.443 174.990 0.002 0.000 1.371 158 C CA -0.222 58.797 59.018 0.003 0.000 1.758 158 C CB -1.196 26.545 27.740 0.002 0.000 1.972 158 C HN 0.386 nan 8.230 nan 0.000 0.522 159 C N 2.286 121.588 119.300 0.002 0.000 2.295 159 C HA 0.569 5.030 4.460 0.000 0.000 0.331 159 C C 0.307 175.299 174.990 0.004 0.000 1.280 159 C CA -0.648 58.371 59.018 0.001 0.000 1.746 159 C CB 0.368 28.108 27.740 -0.000 0.000 2.328 159 C HN 0.421 nan 8.230 nan 0.000 0.521 160 V N 6.410 126.326 119.914 0.004 0.000 2.572 160 V HA 0.169 4.289 4.120 0.000 0.000 0.291 160 V C 0.609 176.708 176.094 0.009 0.000 1.039 160 V CA 0.050 62.355 62.300 0.009 0.000 1.055 160 V CB 0.149 31.979 31.823 0.012 0.000 0.969 160 V HN 0.703 nan 8.190 nan 0.000 0.482 161 R N 3.896 124.403 120.500 0.012 0.000 2.340 161 R HA 0.203 4.543 4.340 0.000 0.000 0.300 161 R C 1.048 177.363 176.300 0.027 0.000 1.069 161 R CA -0.293 55.816 56.100 0.014 0.000 0.984 161 R CB 0.927 31.234 30.300 0.012 0.000 1.003 161 R HN 0.548 nan 8.270 nan 0.000 0.459 162 V N 2.485 122.418 119.914 0.032 0.000 2.392 162 V HA -0.200 3.920 4.120 0.000 0.000 0.249 162 V C 2.048 178.191 176.094 0.082 0.000 1.059 162 V CA 2.484 64.823 62.300 0.066 0.000 1.051 162 V CB -0.508 31.356 31.823 0.069 0.000 0.658 162 V HN 0.981 nan 8.190 nan 0.000 0.455 163 G N -0.698 108.131 108.800 0.048 0.000 2.985 163 G HA2 0.265 4.225 3.960 0.000 0.000 0.209 163 G HA3 0.265 4.225 3.960 0.000 0.000 0.209 163 G C 0.645 175.551 174.900 0.010 0.000 1.165 163 G CA 0.483 45.601 45.100 0.030 0.000 0.776 163 G HN 0.602 nan 8.290 nan 0.000 0.541 164 A N 0.230 123.059 122.820 0.015 0.000 2.451 164 A HA 0.533 4.853 4.320 0.000 0.000 0.266 164 A C 1.006 178.594 177.584 0.006 0.000 1.119 164 A CA -0.306 51.733 52.037 0.002 0.000 0.786 164 A CB 0.614 19.618 19.000 0.006 0.000 1.061 164 A HN 0.147 nan 8.150 nan 0.000 0.503 165 L N 2.746 123.957 121.223 -0.021 0.000 2.307 165 L HA 0.267 4.607 4.340 0.000 0.000 0.211 165 L C 1.397 178.266 176.870 -0.002 0.000 1.099 165 L CA 1.797 56.627 54.840 -0.017 0.000 0.816 165 L CB -0.286 41.716 42.059 -0.095 0.000 0.952 165 L HN 0.806 nan 8.230 nan 0.000 0.455 166 G N -0.913 107.876 108.800 -0.018 0.000 3.015 166 G HA2 0.685 4.645 3.960 0.000 0.000 0.281 166 G HA3 0.685 4.645 3.960 0.000 0.000 0.281 166 G C -1.295 173.606 174.900 0.002 0.000 1.386 166 G CA -0.709 44.389 45.100 -0.005 0.000 0.959 166 G HN 0.096 nan 8.290 nan 0.000 0.522 167 R N -1.302 119.208 120.500 0.015 0.000 2.668 167 R HA 0.666 5.006 4.340 0.000 0.000 0.272 167 R C -1.732 174.586 176.300 0.031 0.000 1.019 167 R CA -0.764 55.347 56.100 0.020 0.000 0.894 167 R CB 1.760 32.077 30.300 0.028 0.000 1.228 167 R HN 0.354 nan 8.270 nan 0.000 0.460 168 V N 1.218 121.146 119.914 0.024 0.000 2.567 168 V HA 0.765 4.885 4.120 0.000 0.000 0.289 168 V C -0.093 176.042 176.094 0.067 0.000 1.049 168 V CA -0.103 62.216 62.300 0.031 0.000 0.969 168 V CB 1.224 33.051 31.823 0.006 0.000 0.995 168 V HN 0.978 nan 8.190 nan 0.000 0.471 169 A N 3.877 126.769 122.820 0.120 0.000 2.491 169 A HA 0.661 4.981 4.320 0.000 0.000 0.293 169 A C -1.412 176.320 177.584 0.246 0.000 1.047 169 A CA -0.702 51.427 52.037 0.153 0.000 0.735 169 A CB 1.268 20.355 19.000 0.144 0.000 1.281 169 A HN 0.723 nan 8.150 nan 0.000 0.398 170 D N 1.155 121.654 120.400 0.164 0.000 2.649 170 D HA 0.634 5.274 4.640 0.000 0.000 0.249 170 D C 0.231 176.596 176.300 0.108 0.000 1.112 170 D CA 0.995 55.103 54.000 0.180 0.000 0.850 170 D CB 1.980 42.849 40.800 0.115 0.000 1.399 170 D HN 1.672 nan 8.370 nan 0.000 0.503 171 G N 0.191 109.049 108.800 0.098 0.000 2.712 171 G HA2 -0.192 3.769 3.960 0.000 0.000 0.686 171 G HA3 -0.192 3.769 3.960 0.000 0.000 0.686 171 G C 0.814 175.713 174.900 -0.003 0.000 1.181 171 G CA -0.524 44.601 45.100 0.042 0.000 0.762 171 G HN 0.314 nan 8.290 nan 0.000 0.641 172 V N 1.241 121.145 119.914 -0.017 0.000 2.282 172 V HA -0.214 3.907 4.120 0.000 0.000 0.249 172 V C 2.666 178.742 176.094 -0.030 0.000 1.057 172 V CA 2.886 65.163 62.300 -0.038 0.000 1.032 172 V CB -0.546 31.262 31.823 -0.026 0.000 0.645 172 V HN 0.809 nan 8.190 nan 0.000 0.447 173 D N -0.576 119.817 120.400 -0.013 0.000 2.144 173 D HA -0.150 4.491 4.640 0.000 0.000 0.199 173 D C 2.284 178.579 176.300 -0.008 0.000 0.984 173 D CA 1.221 55.215 54.000 -0.009 0.000 0.834 173 D CB -0.131 40.668 40.800 -0.001 0.000 0.955 173 D HN 0.554 nan 8.370 nan 0.000 0.465 174 E N -0.033 120.166 120.200 -0.001 0.000 2.072 174 E HA -0.101 4.250 4.350 0.000 0.000 0.190 174 E C 2.318 178.916 176.600 -0.003 0.000 0.982 174 E CA 0.794 57.199 56.400 0.008 0.000 0.803 174 E CB 0.235 29.954 29.700 0.031 0.000 0.755 174 E HN 0.234 nan 8.360 nan 0.000 0.453 175 V N -0.658 119.236 119.914 -0.033 0.000 2.515 175 V HA -0.171 3.949 4.120 0.000 0.000 0.250 175 V C 2.070 178.127 176.094 -0.062 0.000 1.058 175 V CA 1.302 63.556 62.300 -0.075 0.000 1.064 175 V CB -0.514 31.180 31.823 -0.215 0.000 0.675 175 V HN 0.108 nan 8.190 nan 0.000 0.461 176 R N 0.191 120.661 120.500 -0.050 0.000 2.062 176 R HA -0.067 4.274 4.340 0.000 0.000 0.231 176 R C 2.678 178.963 176.300 -0.025 0.000 1.136 176 R CA 1.875 57.952 56.100 -0.038 0.000 0.948 176 R CB -0.458 29.823 30.300 -0.031 0.000 0.845 176 R HN 0.467 nan 8.270 nan 0.000 0.430 177 R N 0.522 121.012 120.500 -0.017 0.000 2.083 177 R HA -0.161 4.180 4.340 0.000 0.000 0.237 177 R C 2.243 178.537 176.300 -0.009 0.000 1.137 177 R CA 1.667 57.760 56.100 -0.011 0.000 0.951 177 R CB -0.279 30.018 30.300 -0.005 0.000 0.851 177 R HN 0.239 nan 8.270 nan 0.000 0.434 178 A N -0.009 122.808 122.820 -0.006 0.000 1.865 178 A HA -0.146 4.174 4.320 0.000 0.000 0.217 178 A C 2.259 179.838 177.584 -0.007 0.000 1.191 178 A CA 1.847 53.885 52.037 0.001 0.000 0.623 178 A CB -0.673 18.337 19.000 0.016 0.000 0.826 178 A HN 0.224 nan 8.150 nan 0.000 0.444 179 V N -0.062 119.842 119.914 -0.018 0.000 2.343 179 V HA -0.267 3.853 4.120 0.000 0.000 0.247 179 V C 2.598 178.676 176.094 -0.026 0.000 1.051 179 V CA 2.206 64.491 62.300 -0.025 0.000 1.036 179 V CB -0.903 30.899 31.823 -0.035 0.000 0.654 179 V HN 0.509 nan 8.190 nan 0.000 0.451 180 R N -0.115 120.370 120.500 -0.024 0.000 2.105 180 R HA -0.193 4.148 4.340 0.000 0.000 0.239 180 R C 2.334 178.618 176.300 -0.027 0.000 1.135 180 R CA 1.797 57.882 56.100 -0.025 0.000 0.967 180 R CB -0.267 30.020 30.300 -0.021 0.000 0.861 180 R HN 0.632 nan 8.270 nan 0.000 0.442 181 E N 0.064 120.251 120.200 -0.021 0.000 2.072 181 E HA -0.151 4.199 4.350 0.000 0.000 0.191 181 E C 1.945 178.530 176.600 -0.025 0.000 0.985 181 E CA 0.733 57.120 56.400 -0.021 0.000 0.801 181 E CB 0.127 29.820 29.700 -0.011 0.000 0.750 181 E HN 0.224 nan 8.360 nan 0.000 0.452 182 E N 0.709 120.897 120.200 -0.020 0.000 2.077 182 E HA -0.165 4.185 4.350 0.000 0.000 0.193 182 E C 2.218 178.795 176.600 -0.037 0.000 0.989 182 E CA 0.856 57.244 56.400 -0.020 0.000 0.800 182 E CB -0.168 29.524 29.700 -0.013 0.000 0.746 182 E HN 0.322 nan 8.360 nan 0.000 0.452 183 L N 0.688 121.885 121.223 -0.044 0.000 2.109 183 L HA -0.183 4.157 4.340 0.000 0.000 0.207 183 L C 2.707 179.528 176.870 -0.082 0.000 1.086 183 L CA 1.113 55.918 54.840 -0.059 0.000 0.760 183 L CB -0.472 41.557 42.059 -0.049 0.000 0.910 183 L HN 0.122 nan 8.230 nan 0.000 0.437 184 Q N 0.618 120.376 119.800 -0.070 0.000 2.124 184 Q HA -0.205 4.136 4.340 0.000 0.000 0.202 184 Q C 1.993 177.923 176.000 -0.116 0.000 0.977 184 Q CA 1.833 57.587 55.803 -0.082 0.000 0.850 184 Q CB -0.317 28.387 28.738 -0.056 0.000 0.901 184 Q HN 0.444 nan 8.270 nan 0.000 0.429 185 M N -0.851 118.691 119.600 -0.098 0.000 2.619 185 M HA 0.182 4.662 4.480 0.000 0.000 0.251 185 M C 0.547 176.731 176.300 -0.194 0.000 1.106 185 M CA 0.913 56.151 55.300 -0.104 0.000 1.086 185 M CB 0.397 32.976 32.600 -0.035 0.000 1.465 185 M HN 0.585 nan 8.290 nan 0.000 0.506 186 G N 0.798 109.462 108.800 -0.227 0.000 2.151 186 G HA2 -0.077 3.883 3.960 0.000 0.000 0.156 186 G HA3 -0.077 3.883 3.960 0.000 0.000 0.156 186 G C 0.015 174.870 174.900 -0.075 0.000 1.017 186 G CA -0.180 44.703 45.100 -0.361 0.000 0.686 186 G HN 0.632 nan 8.290 nan 0.000 0.503 187 A N -0.006 122.794 122.820 -0.034 0.000 2.462 187 A HA 0.545 4.865 4.320 0.000 0.000 0.243 187 A C 1.188 178.769 177.584 -0.004 0.000 1.076 187 A CA 0.760 52.800 52.037 0.006 0.000 0.773 187 A CB 0.362 19.354 19.000 -0.014 0.000 1.010 187 A HN 0.198 nan 8.150 nan 0.000 0.493 188 D N -0.124 120.287 120.400 0.019 0.000 2.249 188 D HA 0.006 4.646 4.640 0.000 0.000 0.205 188 D C 0.883 177.170 176.300 -0.022 0.000 0.962 188 D CA 1.185 55.211 54.000 0.042 0.000 0.860 188 D CB 0.368 41.239 40.800 0.118 0.000 0.955 188 D HN 0.766 nan 8.370 nan 0.000 0.505 189 Q N -0.420 119.315 119.800 -0.109 0.000 2.814 189 Q HA 0.291 4.631 4.340 0.000 0.000 0.322 189 Q C -1.422 174.446 176.000 -0.221 0.000 0.861 189 Q CA -0.662 54.955 55.803 -0.309 0.000 0.773 189 Q CB 1.465 29.779 28.738 -0.707 0.000 1.423 189 Q HN -0.157 nan 8.270 nan 0.000 0.495 193 M N 3.621 123.334 119.600 0.189 0.000 2.069 193 M HA 0.458 4.939 4.480 0.000 0.000 0.349 193 M C 0.484 176.874 176.300 0.150 0.000 1.194 193 M CA -0.272 55.117 55.300 0.148 0.000 1.081 193 M CB 0.715 33.348 32.600 0.055 0.000 1.500 193 M HN 0.864 nan 8.290 nan 0.000 0.438 194 A N 2.400 125.335 122.820 0.191 0.000 2.460 194 A HA 0.438 4.758 4.320 0.000 0.000 0.258 194 A C 0.614 178.287 177.584 0.149 0.000 1.300 194 A CA 0.022 52.148 52.037 0.148 0.000 0.913 194 A CB 0.217 19.274 19.000 0.094 0.000 1.031 194 A HN 0.747 nan 8.150 nan 0.000 0.512 195 S N -1.852 113.978 115.700 0.217 0.000 2.595 195 S HA 0.553 5.024 4.470 0.000 0.000 0.270 195 S C 0.137 174.881 174.600 0.240 0.000 1.145 195 S CA 0.073 58.431 58.200 0.263 0.000 0.825 195 S CB 0.367 63.737 63.200 0.284 0.000 1.107 195 S HN 1.053 nan 8.310 nan 0.000 0.461 196 G N 0.447 109.378 108.800 0.220 0.000 2.594 196 G HA2 0.523 4.483 3.960 0.000 0.000 0.243 196 G HA3 0.523 4.483 3.960 0.000 0.000 0.243 196 G C 0.452 175.454 174.900 0.171 0.000 1.229 196 G CA 0.085 45.285 45.100 0.165 0.000 0.843 196 G HN 1.081 nan 8.290 nan 0.000 0.578 197 G N -1.674 107.169 108.800 0.071 0.000 2.932 197 G HA2 0.461 4.421 3.960 0.000 0.000 0.283 197 G HA3 0.461 4.421 3.960 0.000 0.000 0.283 197 G C 0.410 175.401 174.900 0.152 0.000 1.336 197 G CA -0.086 44.858 45.100 -0.259 0.000 1.056 197 G HN 0.548 nan 8.290 nan 0.000 0.522 198 V N 0.306 120.363 119.914 0.238 0.000 2.521 198 V HA 0.195 4.315 4.120 0.000 0.000 0.239 198 V C 2.465 178.699 176.094 0.234 0.000 1.053 198 V CA 1.492 63.902 62.300 0.183 0.000 1.073 198 V CB 0.126 32.055 31.823 0.175 0.000 0.746 198 V HN 0.775 nan 8.190 nan 0.000 0.476 199 A N 0.047 123.066 122.820 0.333 0.000 2.543 199 A HA 0.437 4.757 4.320 0.000 0.000 0.258 199 A C 0.721 178.335 177.584 0.050 0.000 1.391 199 A CA 0.259 52.404 52.037 0.180 0.000 1.066 199 A CB -0.445 18.641 19.000 0.144 0.000 0.972 199 A HN 0.387 nan 8.150 nan 0.000 0.560 200 S N -0.399 115.348 115.700 0.079 0.000 2.689 200 S HA 0.573 5.043 4.470 0.000 0.000 0.306 200 S C -1.921 172.676 174.600 -0.004 0.000 1.104 200 S CA -1.077 57.093 58.200 -0.050 0.000 0.973 200 S CB 1.629 64.816 63.200 -0.022 0.000 1.121 200 S HN 0.207 nan 8.310 nan 0.000 0.523 201 P HA 0.027 nan 4.420 nan 0.000 0.214 201 P C 1.203 178.496 177.300 -0.011 0.000 1.167 201 P CA 1.479 64.565 63.100 -0.023 0.000 0.882 201 P CB -0.061 31.614 31.700 -0.041 0.000 0.777 202 T N -5.009 109.537 114.554 -0.013 0.000 2.959 202 T HA 0.090 4.440 4.350 0.000 0.000 0.254 202 T C 0.276 174.978 174.700 0.003 0.000 1.003 202 T CA -0.330 61.763 62.100 -0.012 0.000 0.950 202 T CB -0.667 68.184 68.868 -0.028 0.000 1.090 202 T HN 0.023 nan 8.240 nan 0.000 0.503 203 D N 2.562 122.978 120.400 0.026 0.000 2.210 203 D HA 0.469 5.110 4.640 0.000 0.000 0.249 203 D C -2.981 173.351 176.300 0.053 0.000 1.078 203 D CA -2.317 51.708 54.000 0.043 0.000 0.875 203 D CB 1.517 42.359 40.800 0.071 0.000 1.175 203 D HN 0.119 nan 8.370 nan 0.000 0.440 204 P HA 0.094 nan 4.420 nan 0.000 0.277 204 P C 1.033 178.357 177.300 0.041 0.000 1.271 204 P CA -0.696 62.417 63.100 0.021 0.000 0.795 204 P CB 0.936 32.636 31.700 0.000 0.000 1.101 205 V N 0.547 120.464 119.914 0.005 0.000 2.358 205 V HA -0.104 4.016 4.120 0.000 0.000 0.246 205 V C 2.341 178.488 176.094 0.087 0.000 1.047 205 V CA 2.711 65.015 62.300 0.007 0.000 1.035 205 V CB -1.589 30.145 31.823 -0.149 0.000 0.658 205 V HN 0.817 nan 8.190 nan 0.000 0.452 206 G N -0.715 108.117 108.800 0.054 0.000 2.712 206 G HA2 0.007 3.967 3.960 0.000 0.000 0.212 206 G HA3 0.007 3.967 3.960 0.000 0.000 0.212 206 G C 0.654 175.614 174.900 0.100 0.000 1.142 206 G CA 0.039 45.189 45.100 0.084 0.000 0.789 206 G HN 0.323 nan 8.290 nan 0.000 0.535 207 V N 2.724 122.681 119.914 0.072 0.000 2.557 207 V HA 0.040 4.160 4.120 0.000 0.000 0.301 207 V C 0.401 176.636 176.094 0.236 0.000 1.026 207 V CA -0.535 61.802 62.300 0.062 0.000 1.137 207 V CB -0.096 31.756 31.823 0.047 0.000 0.917 207 V HN 0.097 nan 8.190 nan 0.000 0.484 208 F N 3.043 123.017 119.950 0.041 0.000 2.545 208 F HA 0.380 4.907 4.527 0.000 0.000 0.348 208 F C 1.104 176.928 175.800 0.040 0.000 1.163 208 F CA -0.482 57.548 58.000 0.050 0.000 1.331 208 F CB 0.402 39.431 39.000 0.049 0.000 1.138 208 F HN 0.505 nan 8.300 nan 0.000 0.602 209 G N 2.321 111.253 108.800 0.220 0.000 2.468 209 G HA2 0.461 4.421 3.960 0.000 0.000 0.320 209 G HA3 0.461 4.421 3.960 0.000 0.000 0.320 209 G C -1.514 173.477 174.900 0.152 0.000 1.137 209 G CA -0.237 44.917 45.100 0.090 0.000 0.984 209 G HN 0.641 nan 8.290 nan 0.000 0.462 210 Y N -0.127 120.232 120.300 0.100 0.000 2.504 210 Y HA -0.271 4.279 4.550 0.000 0.000 0.025 210 Y C 1.093 177.036 175.900 0.071 0.000 1.700 210 Y CA 0.311 58.453 58.100 0.069 0.000 1.420 210 Y CB -0.515 37.969 38.460 0.042 0.000 2.066 210 Y HN 0.955 nan 8.280 nan 0.000 0.254 211 S N 0.182 116.052 115.700 0.282 0.000 2.693 211 S HA 0.329 4.799 4.470 0.000 0.000 0.276 211 S C 0.550 175.199 174.600 0.082 0.000 1.192 211 S CA -0.203 58.090 58.200 0.155 0.000 0.994 211 S CB 1.785 65.057 63.200 0.121 0.000 1.012 211 S HN 0.666 nan 8.310 nan 0.000 0.550 212 E N 0.320 120.547 120.200 0.046 0.000 2.204 212 E HA -0.146 4.204 4.350 0.000 0.000 0.194 212 E C 0.834 177.430 176.600 -0.008 0.000 0.989 212 E CA 1.169 57.572 56.400 0.006 0.000 0.824 212 E CB -0.147 29.554 29.700 0.001 0.000 0.756 212 E HN 0.634 nan 8.360 nan 0.000 0.477 213 D N 0.830 121.231 120.400 0.001 0.000 2.117 213 D HA -0.122 4.518 4.640 0.000 0.000 0.198 213 D C 1.708 177.978 176.300 -0.050 0.000 0.982 213 D CA 0.951 54.942 54.000 -0.015 0.000 0.828 213 D CB -0.077 40.723 40.800 -0.001 0.000 0.967 213 D HN 0.212 nan 8.370 nan 0.000 0.464 214 E N 0.319 120.474 120.200 -0.074 0.000 2.017 214 E HA -0.120 4.230 4.350 0.000 0.000 0.193 214 E C 2.356 178.817 176.600 -0.231 0.000 0.997 214 E CA 0.624 56.906 56.400 -0.197 0.000 0.804 214 E CB -0.093 29.417 29.700 -0.317 0.000 0.757 214 E HN 0.262 nan 8.360 nan 0.000 0.448 215 I N 0.848 121.318 120.570 -0.168 0.000 2.151 215 I HA -0.348 3.822 4.170 0.000 0.000 0.243 215 I C 2.607 178.675 176.117 -0.082 0.000 1.080 215 I CA 1.359 62.591 61.300 -0.114 0.000 1.339 215 I CB -0.398 37.578 38.000 -0.039 0.000 1.039 215 I HN 0.086 nan 8.210 nan 0.000 0.409 216 R N 0.574 121.038 120.500 -0.060 0.000 2.081 216 R HA -0.157 4.184 4.340 0.000 0.000 0.235 216 R C 2.487 178.760 176.300 -0.045 0.000 1.131 216 R CA 1.535 57.611 56.100 -0.040 0.000 0.960 216 R CB -0.417 29.867 30.300 -0.027 0.000 0.856 216 R HN 0.414 nan 8.270 nan 0.000 0.436 217 A N 1.230 124.012 122.820 -0.064 0.000 1.877 217 A HA -0.161 4.159 4.320 0.000 0.000 0.216 217 A C 2.129 179.673 177.584 -0.068 0.000 1.186 217 A CA 1.310 53.310 52.037 -0.063 0.000 0.620 217 A CB -0.508 18.447 19.000 -0.076 0.000 0.822 217 A HN 0.199 nan 8.150 nan 0.000 0.443 218 I N -0.432 120.079 120.570 -0.098 0.000 2.179 218 I HA -0.220 3.950 4.170 0.000 0.000 0.242 218 I C 2.339 178.429 176.117 -0.046 0.000 1.088 218 I CA 1.253 62.501 61.300 -0.087 0.000 1.357 218 I CB -0.569 37.357 38.000 -0.123 0.000 1.051 218 I HN 0.144 nan 8.210 nan 0.000 0.409 219 V N 1.278 121.172 119.914 -0.033 0.000 2.332 219 V HA -0.325 3.796 4.120 0.000 0.000 0.248 219 V C 2.777 178.871 176.094 0.001 0.000 1.055 219 V CA 2.086 64.384 62.300 -0.003 0.000 1.038 219 V CB -1.094 30.733 31.823 0.006 0.000 0.651 219 V HN 0.512 nan 8.190 nan 0.000 0.450 220 A N -0.492 122.322 122.820 -0.010 0.000 1.858 220 A HA -0.218 4.102 4.320 0.000 0.000 0.216 220 A C 2.213 179.793 177.584 -0.007 0.000 1.190 220 A CA 1.759 53.793 52.037 -0.005 0.000 0.617 220 A CB -0.534 18.460 19.000 -0.011 0.000 0.827 220 A HN 0.487 nan 8.150 nan 0.000 0.443 221 E N -0.019 120.170 120.200 -0.018 0.000 2.049 221 E HA -0.204 4.146 4.350 0.000 0.000 0.198 221 E C 2.357 178.948 176.600 -0.014 0.000 1.007 221 E CA 1.520 57.908 56.400 -0.019 0.000 0.809 221 E CB -0.778 28.904 29.700 -0.030 0.000 0.749 221 E HN 0.563 nan 8.360 nan 0.000 0.450 222 A N 0.947 123.757 122.820 -0.016 0.000 1.902 222 A HA -0.215 4.105 4.320 0.000 0.000 0.217 222 A C 2.128 179.719 177.584 0.012 0.000 1.181 222 A CA 1.625 53.653 52.037 -0.014 0.000 0.623 222 A CB -0.541 18.442 19.000 -0.029 0.000 0.818 222 A HN 0.253 nan 8.150 nan 0.000 0.443 223 Q N -0.822 118.993 119.800 0.025 0.000 2.224 223 Q HA -0.085 4.255 4.340 0.000 0.000 0.203 223 Q C 2.010 178.026 176.000 0.028 0.000 0.970 223 Q CA 0.923 56.750 55.803 0.040 0.000 0.865 223 Q CB -0.353 28.410 28.738 0.042 0.000 0.922 223 Q HN 0.698 nan 8.270 nan 0.000 0.445 224 G N 0.415 109.224 108.800 0.014 0.000 2.509 224 G HA2 -0.213 3.748 3.960 0.000 0.000 0.218 224 G HA3 -0.213 3.748 3.960 0.000 0.000 0.218 224 G C 1.331 176.237 174.900 0.009 0.000 1.124 224 G CA 0.073 45.178 45.100 0.009 0.000 0.776 224 G HN 0.141 nan 8.290 nan 0.000 0.547 225 R N -0.406 120.100 120.500 0.009 0.000 2.472 225 R HA 0.304 4.644 4.340 0.000 0.000 0.279 225 R C 1.215 177.530 176.300 0.024 0.000 0.953 225 R CA 0.536 56.641 56.100 0.008 0.000 1.088 225 R CB 0.158 30.455 30.300 -0.005 0.000 1.197 225 R HN 0.267 nan 8.270 nan 0.000 0.536 226 G N 1.009 109.832 108.800 0.037 0.000 2.212 226 G HA2 -0.257 3.703 3.960 0.000 0.000 0.255 226 G HA3 -0.257 3.703 3.960 0.000 0.000 0.255 226 G C -0.082 174.871 174.900 0.087 0.000 1.062 226 G CA 0.748 45.883 45.100 0.059 0.000 0.815 226 G HN 0.425 nan 8.290 nan 0.000 0.497 227 T N -1.455 113.150 114.554 0.085 0.000 2.591 227 T HA 0.817 5.167 4.350 0.000 0.000 0.274 227 T C -0.670 174.124 174.700 0.156 0.000 0.945 227 T CA 0.279 62.456 62.100 0.127 0.000 1.087 227 T CB 1.275 70.154 68.868 0.019 0.000 1.416 227 T HN 1.375 nan 8.240 nan 0.000 0.514 228 Y N -1.427 118.888 120.300 0.026 0.000 2.715 228 Y HA 0.843 5.393 4.550 0.000 0.000 0.331 228 Y C -1.599 174.311 175.900 0.017 0.000 1.197 228 Y CA -1.251 56.862 58.100 0.022 0.000 1.079 228 Y CB 0.693 39.168 38.460 0.025 0.000 1.298 228 Y HN 0.358 nan 8.280 nan 0.000 0.477 229 V N 2.879 122.897 119.914 0.173 0.000 2.513 229 V HA 0.553 4.673 4.120 0.000 0.000 0.299 229 V C -0.345 175.871 176.094 0.204 0.000 1.035 229 V CA -0.862 61.478 62.300 0.068 0.000 0.889 229 V CB 1.384 33.238 31.823 0.051 0.000 0.988 229 V HN 0.798 nan 8.190 nan 0.000 0.440 230 L N 2.402 123.690 121.223 0.109 0.000 2.334 230 L HA 1.087 5.428 4.340 0.000 0.000 0.276 230 L C -0.248 176.674 176.870 0.088 0.000 1.014 230 L CA -0.573 54.346 54.840 0.132 0.000 0.815 230 L CB 1.858 43.990 42.059 0.122 0.000 1.268 230 L HN 0.645 nan 8.230 nan 0.000 0.428 231 A N 0.691 123.558 122.820 0.079 0.000 2.398 231 A HA 0.468 4.788 4.320 0.000 0.000 0.301 231 A C -1.175 176.458 177.584 0.081 0.000 1.041 231 A CA -0.580 51.514 52.037 0.095 0.000 0.711 231 A CB 0.747 19.794 19.000 0.077 0.000 1.240 231 A HN 0.969 nan 8.150 nan 0.000 0.420 232 H N 1.801 120.894 119.070 0.038 0.000 2.955 232 H HA 0.534 5.091 4.556 0.000 0.000 0.290 232 H C -0.033 175.268 175.328 -0.044 0.000 1.047 232 H CA 1.036 57.096 56.048 0.020 0.000 1.484 232 H CB 0.405 30.241 29.762 0.122 0.000 1.501 232 H HN 0.965 nan 8.280 nan 0.000 0.521 233 A N 4.923 127.515 122.820 -0.379 0.000 2.540 233 A HA 0.323 4.643 4.320 0.000 0.000 0.297 233 A C -1.448 175.915 177.584 -0.369 0.000 1.056 233 A CA -0.709 51.179 52.037 -0.248 0.000 0.700 233 A CB 0.544 19.490 19.000 -0.089 0.000 1.280 233 A HN 0.732 nan 8.150 nan 0.000 0.398 234 Y N 0.883 121.127 120.300 -0.094 0.000 2.609 234 Y HA 0.172 4.722 4.550 0.000 0.000 0.281 234 Y C 1.863 177.733 175.900 -0.049 0.000 1.132 234 Y CA 1.354 59.398 58.100 -0.093 0.000 1.264 234 Y CB 0.416 38.812 38.460 -0.107 0.000 1.325 234 Y HN 0.750 nan 8.280 nan 0.000 0.514 235 T N -2.268 112.378 114.554 0.154 0.000 2.943 235 T HA 0.276 4.627 4.350 0.000 0.000 0.284 235 T C -2.049 172.690 174.700 0.066 0.000 1.015 235 T CA -2.243 59.920 62.100 0.105 0.000 1.042 235 T CB 1.988 70.932 68.868 0.127 0.000 1.055 235 T HN -0.251 nan 8.240 nan 0.000 0.500 236 P HA -0.182 nan 4.420 nan 0.000 0.216 236 P C 1.688 179.005 177.300 0.028 0.000 1.167 236 P CA 2.091 65.209 63.100 0.030 0.000 0.914 236 P CB -0.339 31.383 31.700 0.036 0.000 0.793 237 A N -0.490 122.378 122.820 0.080 0.000 1.873 237 A HA -0.091 4.230 4.320 0.000 0.000 0.215 237 A C 2.356 179.892 177.584 -0.081 0.000 1.186 237 A CA 2.250 54.337 52.037 0.084 0.000 0.616 237 A CB -1.628 17.546 19.000 0.290 0.000 0.823 237 A HN 0.200 nan 8.150 nan 0.000 0.442 238 A N -0.036 122.760 122.820 -0.039 0.000 1.902 238 A HA -0.093 4.228 4.320 0.000 0.000 0.217 238 A C 2.137 179.631 177.584 -0.150 0.000 1.181 238 A CA 1.567 53.485 52.037 -0.199 0.000 0.623 238 A CB -0.635 18.384 19.000 0.030 0.000 0.818 238 A HN 0.502 nan 8.150 nan 0.000 0.443 239 I N -0.277 120.248 120.570 -0.074 0.000 2.142 239 I HA -0.294 3.876 4.170 0.000 0.000 0.240 239 I C 3.030 179.085 176.117 -0.102 0.000 1.078 239 I CA 1.162 62.417 61.300 -0.077 0.000 1.343 239 I CB -0.458 37.510 38.000 -0.053 0.000 1.046 239 I HN 0.356 nan 8.210 nan 0.000 0.405 240 A N 0.580 123.343 122.820 -0.096 0.000 1.883 240 A HA -0.270 4.050 4.320 0.000 0.000 0.217 240 A C 2.413 179.913 177.584 -0.140 0.000 1.186 240 A CA 1.925 53.897 52.037 -0.108 0.000 0.624 240 A CB -0.713 18.245 19.000 -0.069 0.000 0.822 240 A HN 0.312 nan 8.150 nan 0.000 0.444 241 R N -0.817 119.584 120.500 -0.166 0.000 2.081 241 R HA -0.103 4.237 4.340 0.000 0.000 0.235 241 R C 2.429 178.638 176.300 -0.151 0.000 1.131 241 R CA 1.318 57.309 56.100 -0.181 0.000 0.960 241 R CB -0.378 29.736 30.300 -0.310 0.000 0.856 241 R HN 0.524 nan 8.270 nan 0.000 0.436 242 A N -0.135 122.598 122.820 -0.145 0.000 1.902 242 A HA -0.107 4.214 4.320 0.000 0.000 0.217 242 A C 2.213 179.738 177.584 -0.098 0.000 1.181 242 A CA 1.399 53.379 52.037 -0.096 0.000 0.623 242 A CB -0.410 18.548 19.000 -0.069 0.000 0.818 242 A HN 0.188 nan 8.150 nan 0.000 0.443 243 V N -0.335 119.495 119.914 -0.140 0.000 2.453 243 V HA -0.176 3.944 4.120 0.000 0.000 0.247 243 V C 2.573 178.502 176.094 -0.276 0.000 1.048 243 V CA 1.945 64.125 62.300 -0.200 0.000 1.049 243 V CB -0.716 30.951 31.823 -0.259 0.000 0.672 243 V HN 0.501 nan 8.190 nan 0.000 0.457 244 R N -0.980 119.370 120.500 -0.250 0.000 2.148 244 R HA -0.104 4.236 4.340 0.000 0.000 0.227 244 R C 1.869 178.114 176.300 -0.093 0.000 1.103 244 R CA 1.464 57.448 56.100 -0.193 0.000 0.983 244 R CB -0.352 29.875 30.300 -0.122 0.000 0.874 244 R HN 0.447 nan 8.270 nan 0.000 0.451 245 C N -0.047 119.204 119.300 -0.081 0.000 2.578 245 C HA 0.253 4.713 4.460 0.000 0.000 0.285 245 C C 1.341 176.316 174.990 -0.024 0.000 1.297 245 C CA 0.416 59.408 59.018 -0.044 0.000 1.690 245 C CB -0.598 27.115 27.740 -0.045 0.000 1.773 245 C HN 0.794 nan 8.230 nan 0.000 0.594 246 G N 0.365 109.149 108.800 -0.026 0.000 2.141 246 G HA2 -0.214 3.746 3.960 0.000 0.000 0.242 246 G HA3 -0.214 3.746 3.960 0.000 0.000 0.242 246 G C 0.111 175.026 174.900 0.026 0.000 0.982 246 G CA 0.181 45.287 45.100 0.010 0.000 0.662 246 G HN 0.368 nan 8.290 nan 0.000 0.527 247 V N 0.947 120.867 119.914 0.010 0.000 2.529 247 V HA 0.234 4.354 4.120 0.000 0.000 0.292 247 V C 1.792 177.921 176.094 0.058 0.000 1.028 247 V CA 1.162 63.488 62.300 0.043 0.000 1.074 247 V CB 1.301 33.138 31.823 0.024 0.000 0.958 247 V HN 0.512 nan 8.190 nan 0.000 0.481 248 R N 3.104 123.676 120.500 0.120 0.000 2.140 248 R HA 0.030 4.371 4.340 0.000 0.000 0.213 248 R C 0.726 177.100 176.300 0.124 0.000 1.059 248 R CA 1.140 57.304 56.100 0.107 0.000 1.000 248 R CB 0.364 30.713 30.300 0.082 0.000 0.910 248 R HN 0.833 nan 8.270 nan 0.000 0.455 249 T N -1.176 113.459 114.554 0.135 0.000 2.921 249 T HA 0.447 4.798 4.350 0.000 0.000 0.297 249 T C -0.508 174.231 174.700 0.064 0.000 1.013 249 T CA -0.989 61.180 62.100 0.115 0.000 0.990 249 T CB 1.663 70.583 68.868 0.086 0.000 1.023 249 T HN -0.109 nan 8.240 nan 0.000 0.447 250 I N 3.171 123.752 120.570 0.018 0.000 2.336 250 I HA 0.390 4.561 4.170 0.000 0.000 0.292 250 I C 0.236 176.290 176.117 -0.106 0.000 0.991 250 I CA -0.705 60.569 61.300 -0.042 0.000 1.227 250 I CB 1.453 39.419 38.000 -0.056 0.000 1.366 250 I HN 0.730 nan 8.210 nan 0.000 0.466 251 E N 6.867 126.953 120.200 -0.189 0.000 2.227 251 E HA 0.284 4.635 4.350 0.000 0.000 0.282 251 E C 0.382 176.593 176.600 -0.648 0.000 1.015 251 E CA -0.186 55.942 56.400 -0.454 0.000 0.823 251 E CB 0.967 30.386 29.700 -0.468 0.000 1.081 251 E HN 0.528 nan 8.360 nan 0.000 0.396 252 H N 2.093 121.004 119.070 -0.265 0.000 4.606 252 H HA -0.240 4.316 4.556 0.000 0.000 0.074 252 H C 1.051 176.265 175.328 -0.189 0.000 0.615 252 H CA 1.150 57.041 56.048 -0.263 0.000 1.004 252 H CB -1.493 27.942 29.762 -0.545 0.000 0.715 252 H HN 0.813 nan 8.280 nan 0.000 0.824 253 G N 1.935 110.666 108.800 -0.114 0.000 2.273 253 G HA2 -0.372 3.588 3.960 0.000 0.000 0.280 253 G HA3 -0.372 3.588 3.960 0.000 0.000 0.280 253 G C 0.665 175.574 174.900 0.014 0.000 1.047 253 G CA 1.227 46.291 45.100 -0.059 0.000 0.869 253 G HN 0.657 nan 8.290 nan 0.000 0.502 254 N N -0.498 118.262 118.700 0.100 0.000 2.289 254 N HA 0.037 4.777 4.740 0.000 0.000 0.184 254 N C 1.732 177.250 175.510 0.013 0.000 1.016 254 N CA 1.132 54.210 53.050 0.046 0.000 0.872 254 N CB -0.055 38.428 38.487 -0.007 0.000 0.973 254 N HN 0.571 nan 8.380 nan 0.000 0.433 255 L N 0.314 121.564 121.223 0.045 0.000 3.017 255 L HA 0.364 4.704 4.340 0.000 0.000 0.255 255 L C 0.107 176.988 176.870 0.019 0.000 1.247 255 L CA -0.406 54.447 54.840 0.022 0.000 1.038 255 L CB 0.251 42.323 42.059 0.023 0.000 1.380 255 L HN 0.161 nan 8.230 nan 0.000 0.548 256 I N 1.123 121.695 120.570 0.002 0.000 2.892 256 I HA -0.035 4.135 4.170 0.000 0.000 0.287 256 I C 0.073 176.180 176.117 -0.018 0.000 1.205 256 I CA 0.105 61.398 61.300 -0.012 0.000 1.409 256 I CB 0.760 38.742 38.000 -0.030 0.000 1.367 256 I HN 0.273 nan 8.210 nan 0.000 0.597 257 D N 3.681 124.073 120.400 -0.014 0.000 2.467 257 D HA 0.200 4.840 4.640 0.000 0.000 0.245 257 D C 0.253 176.539 176.300 -0.023 0.000 1.038 257 D CA -0.533 53.460 54.000 -0.012 0.000 1.038 257 D CB 0.605 41.409 40.800 0.006 0.000 1.278 257 D HN 0.445 nan 8.370 nan 0.000 0.564 258 D N -0.365 120.024 120.400 -0.019 0.000 2.123 258 D HA -0.206 4.434 4.640 0.000 0.000 0.196 258 D C 1.358 177.650 176.300 -0.014 0.000 0.992 258 D CA 1.273 55.261 54.000 -0.021 0.000 0.833 258 D CB 0.226 41.020 40.800 -0.009 0.000 0.954 258 D HN 0.720 nan 8.370 nan 0.000 0.455 259 E N 0.566 120.763 120.200 -0.005 0.000 2.072 259 E HA -0.126 4.224 4.350 0.000 0.000 0.190 259 E C 1.750 178.348 176.600 -0.003 0.000 0.982 259 E CA 1.200 57.599 56.400 -0.001 0.000 0.803 259 E CB 0.177 29.880 29.700 0.005 0.000 0.755 259 E HN 0.086 nan 8.360 nan 0.000 0.453 260 T N 0.738 115.288 114.554 -0.008 0.000 2.821 260 T HA -0.049 4.301 4.350 0.000 0.000 0.267 260 T C 1.942 176.629 174.700 -0.022 0.000 1.046 260 T CA 1.078 63.168 62.100 -0.016 0.000 1.139 260 T CB -0.275 68.582 68.868 -0.018 0.000 0.871 260 T HN 0.321 nan 8.240 nan 0.000 0.454 261 A N 2.069 124.873 122.820 -0.026 0.000 1.908 261 A HA -0.146 4.175 4.320 0.000 0.000 0.218 261 A C 2.417 179.987 177.584 -0.024 0.000 1.181 261 A CA 1.381 53.399 52.037 -0.032 0.000 0.627 261 A CB -0.518 18.457 19.000 -0.042 0.000 0.818 261 A HN 0.397 nan 8.150 nan 0.000 0.445 262 R N -1.332 119.159 120.500 -0.015 0.000 2.092 262 R HA -0.069 4.272 4.340 0.000 0.000 0.231 262 R C 2.102 178.409 176.300 0.013 0.000 1.119 262 R CA 1.306 57.402 56.100 -0.007 0.000 0.970 262 R CB -0.489 29.808 30.300 -0.005 0.000 0.864 262 R HN 0.505 nan 8.270 nan 0.000 0.440 263 L N 0.615 121.851 121.223 0.023 0.000 2.046 263 L HA -0.146 4.194 4.340 0.000 0.000 0.208 263 L C 2.093 179.020 176.870 0.095 0.000 1.077 263 L CA 1.414 56.295 54.840 0.069 0.000 0.747 263 L CB -0.192 41.880 42.059 0.021 0.000 0.896 263 L HN -0.105 nan 8.230 nan 0.000 0.432 264 V N -0.038 119.881 119.914 0.009 0.000 2.261 264 V HA -0.325 3.795 4.120 0.000 0.000 0.246 264 V C 2.761 178.849 176.094 -0.010 0.000 1.047 264 V CA 1.799 64.089 62.300 -0.017 0.000 1.015 264 V CB -1.316 30.480 31.823 -0.045 0.000 0.642 264 V HN 0.603 nan 8.190 nan 0.000 0.446 265 A N -0.605 122.199 122.820 -0.026 0.000 1.902 265 A HA -0.283 4.037 4.320 0.000 0.000 0.217 265 A C 2.285 179.844 177.584 -0.041 0.000 1.181 265 A CA 1.995 54.000 52.037 -0.054 0.000 0.623 265 A CB -0.587 18.382 19.000 -0.050 0.000 0.818 265 A HN 0.636 nan 8.150 nan 0.000 0.443 266 E N -0.895 119.304 120.200 -0.002 0.000 2.097 266 E HA -0.274 4.076 4.350 0.000 0.000 0.196 266 E C 1.362 177.904 176.600 -0.096 0.000 1.000 266 E CA 1.559 57.937 56.400 -0.037 0.000 0.804 266 E CB -0.160 29.536 29.700 -0.007 0.000 0.740 266 E HN 0.801 nan 8.360 nan 0.000 0.454 267 H N -1.454 117.572 119.070 -0.074 0.000 2.539 267 H HA 0.225 4.781 4.556 0.000 0.000 0.267 267 H C 0.923 176.186 175.328 -0.108 0.000 0.982 267 H CA 0.702 56.706 56.048 -0.074 0.000 1.146 267 H CB 0.752 30.478 29.762 -0.059 0.000 1.382 267 H HN 0.359 nan 8.280 nan 0.000 0.577 268 G N 0.190 108.952 108.800 -0.063 0.000 2.198 268 G HA2 -0.251 3.709 3.960 0.000 0.000 0.260 268 G HA3 -0.251 3.709 3.960 0.000 0.000 0.260 268 G C 0.349 175.062 174.900 -0.311 0.000 1.025 268 G CA 0.266 45.252 45.100 -0.189 0.000 0.769 268 G HN 0.700 nan 8.290 nan 0.000 0.507 269 A N -0.799 121.892 122.820 -0.215 0.000 2.302 269 A HA 0.824 5.145 4.320 0.000 0.000 0.285 269 A C -0.110 177.287 177.584 -0.311 0.000 1.105 269 A CA -0.526 51.392 52.037 -0.198 0.000 0.816 269 A CB 0.734 19.699 19.000 -0.058 0.000 1.067 269 A HN 0.604 nan 8.150 nan 0.000 0.489 270 Y N -0.133 120.129 120.300 -0.063 0.000 2.419 270 Y HA 0.536 5.087 4.550 0.001 0.000 0.328 270 Y C 0.231 176.094 175.900 -0.061 0.000 1.162 270 Y CA -0.721 57.340 58.100 -0.065 0.000 1.174 270 Y CB 1.713 40.121 38.460 -0.086 0.000 1.228 270 Y HN 0.363 nan 8.280 nan 0.000 0.473 271 V N 2.286 122.260 119.914 0.099 0.000 2.680 271 V HA 0.437 4.557 4.120 0.000 0.000 0.309 271 V C -0.861 175.238 176.094 0.007 0.000 1.052 271 V CA -1.000 61.312 62.300 0.020 0.000 0.908 271 V CB 1.901 33.714 31.823 -0.017 0.000 1.001 271 V HN 0.511 nan 8.190 nan 0.000 0.431 272 V N 5.679 125.563 119.914 -0.049 0.000 2.266 272 V HA 0.334 4.454 4.120 0.000 0.000 0.271 272 V C -2.450 173.558 176.094 -0.143 0.000 1.032 272 V CA -1.775 60.474 62.300 -0.084 0.000 0.806 272 V CB 1.083 32.858 31.823 -0.080 0.000 1.052 272 V HN 0.726 nan 8.190 nan 0.000 0.449 273 P HA 0.272 nan 4.420 nan 0.000 0.272 273 P C 0.178 177.395 177.300 -0.140 0.000 1.223 273 P CA 0.078 63.130 63.100 -0.081 0.000 0.784 273 P CB 0.515 32.183 31.700 -0.054 0.000 0.923 274 T N -1.281 113.249 114.554 -0.040 0.000 3.542 274 T HA 0.319 4.669 4.350 0.000 0.000 0.276 274 T C 0.848 175.516 174.700 -0.053 0.000 1.412 274 T CA -0.496 61.523 62.100 -0.134 0.000 1.664 274 T CB -1.005 67.756 68.868 -0.179 0.000 0.863 274 T HN 0.066 nan 8.240 nan 0.000 0.661 275 L N 1.063 122.264 121.223 -0.037 0.000 2.093 275 L HA -0.088 4.252 4.340 0.000 0.000 0.208 275 L C 2.873 179.746 176.870 0.006 0.000 1.085 275 L CA 1.210 56.085 54.840 0.057 0.000 0.755 275 L CB -0.740 41.318 42.059 -0.002 0.000 0.904 275 L HN 0.519 nan 8.230 nan 0.000 0.435 276 V N -3.345 116.517 119.914 -0.086 0.000 2.287 276 V HA -0.318 3.803 4.120 0.000 0.000 0.248 276 V C 2.443 178.492 176.094 -0.077 0.000 1.053 276 V CA 2.430 64.695 62.300 -0.059 0.000 1.027 276 V CB -1.499 30.277 31.823 -0.078 0.000 0.646 276 V HN 0.424 nan 8.190 nan 0.000 0.447 277 T N -0.413 114.002 114.554 -0.231 0.000 2.803 277 T HA -0.195 4.155 4.350 0.000 0.000 0.269 277 T C 1.661 176.215 174.700 -0.242 0.000 1.052 277 T CA 2.183 64.111 62.100 -0.287 0.000 1.136 277 T CB -0.423 68.183 68.868 -0.437 0.000 0.864 277 T HN 0.690 nan 8.240 nan 0.000 0.467 278 Y N 1.245 121.599 120.300 0.089 0.000 2.337 278 Y HA 0.085 4.636 4.550 0.001 0.000 0.293 278 Y C 2.299 178.382 175.900 0.304 0.000 1.123 278 Y CA 0.519 58.721 58.100 0.170 0.000 1.201 278 Y CB -0.642 37.901 38.460 0.138 0.000 1.011 278 Y HN 0.234 nan 8.280 nan 0.000 0.545 279 D N 0.357 120.979 120.400 0.371 0.000 2.088 279 D HA -0.230 4.410 4.640 0.000 0.000 0.191 279 D C 2.379 178.783 176.300 0.173 0.000 0.992 279 D CA 1.830 56.013 54.000 0.305 0.000 0.831 279 D CB -0.784 40.142 40.800 0.211 0.000 0.973 279 D HN 0.241 nan 8.370 nan 0.000 0.447 280 A N 0.650 123.551 122.820 0.136 0.000 1.915 280 A HA -0.226 4.094 4.320 0.000 0.000 0.220 280 A C 2.197 179.866 177.584 0.141 0.000 1.198 280 A CA 1.579 53.703 52.037 0.145 0.000 0.647 280 A CB -1.122 17.970 19.000 0.154 0.000 0.825 280 A HN 0.326 nan 8.150 nan 0.000 0.456 281 L N -1.482 119.825 121.223 0.140 0.000 2.622 281 L HA 0.003 4.343 4.340 0.000 0.000 0.233 281 L C 2.512 179.399 176.870 0.028 0.000 1.156 281 L CA 0.440 55.335 54.840 0.091 0.000 0.866 281 L CB -0.463 41.679 42.059 0.139 0.000 0.980 281 L HN 0.499 nan 8.230 nan 0.000 0.448 282 A N -1.038 121.800 122.820 0.030 0.000 1.938 282 A HA 0.028 4.348 4.320 0.000 0.000 0.207 282 A C 2.395 179.959 177.584 -0.033 0.000 1.292 282 A CA 0.710 52.723 52.037 -0.040 0.000 0.700 282 A CB -0.119 18.808 19.000 -0.121 0.000 0.947 282 A HN 0.205 nan 8.150 nan 0.000 0.476 283 S N -0.277 115.428 115.700 0.008 0.000 2.395 283 S HA -0.048 4.422 4.470 0.000 0.000 0.225 283 S C 1.326 175.935 174.600 0.015 0.000 1.027 283 S CA 1.278 59.488 58.200 0.017 0.000 0.965 283 S CB -0.031 63.201 63.200 0.053 0.000 0.812 283 S HN 0.806 nan 8.310 nan 0.000 0.482 284 E N -0.300 119.920 120.200 0.033 0.000 3.067 284 E HA 0.287 4.637 4.350 0.000 0.000 0.188 284 E C 0.959 177.508 176.600 -0.084 0.000 0.964 284 E CA 0.074 56.523 56.400 0.081 0.000 1.286 284 E CB 0.104 29.979 29.700 0.290 0.000 1.051 284 E HN 0.289 nan 8.360 nan 0.000 0.465 285 G N 0.944 109.566 108.800 -0.297 0.000 2.559 285 G HA2 -0.135 3.825 3.960 0.000 0.000 0.209 285 G HA3 -0.135 3.825 3.960 0.000 0.000 0.209 285 G C 1.350 175.932 174.900 -0.531 0.000 1.151 285 G CA 0.172 44.807 45.100 -0.774 0.000 0.824 285 G HN 0.163 nan 8.290 nan 0.000 0.543 286 E N 0.421 120.463 120.200 -0.263 0.000 2.150 286 E HA -0.077 4.273 4.350 0.000 0.000 0.193 286 E C 1.501 178.004 176.600 -0.162 0.000 0.985 286 E CA 0.841 57.138 56.400 -0.171 0.000 0.814 286 E CB 0.112 29.743 29.700 -0.115 0.000 0.752 286 E HN 0.204 nan 8.360 nan 0.000 0.466 287 K N -0.829 119.454 120.400 -0.194 0.000 2.399 287 K HA 0.067 4.388 4.320 0.000 0.000 0.204 287 K C -0.025 176.404 176.600 -0.285 0.000 1.023 287 K CA -0.078 56.084 56.287 -0.209 0.000 1.127 287 K CB 0.087 32.454 32.500 -0.221 0.000 0.856 287 K HN 0.010 nan 8.250 nan 0.000 0.514 288 Y N -0.532 119.639 120.300 -0.215 0.000 2.531 288 Y HA 0.301 4.851 4.550 0.000 0.000 0.249 288 Y C 0.765 176.646 175.900 -0.032 0.000 1.168 288 Y CA -0.301 57.727 58.100 -0.120 0.000 1.226 288 Y CB 1.282 39.661 38.460 -0.135 0.000 1.177 288 Y HN 0.123 nan 8.280 nan 0.000 0.527 289 G N 1.245 110.066 108.800 0.036 0.000 2.526 289 G HA2 -0.208 3.752 3.960 0.000 0.000 0.225 289 G HA3 -0.208 3.752 3.960 0.000 0.000 0.225 289 G C -0.961 173.985 174.900 0.077 0.000 1.120 289 G CA -0.321 44.820 45.100 0.069 0.000 0.904 289 G HN 0.196 nan 8.290 nan 0.000 0.498 290 L N 1.377 122.590 121.223 -0.018 0.000 2.298 290 L HA 0.675 5.015 4.340 0.000 0.000 0.284 290 L C -1.746 175.126 176.870 0.003 0.000 1.013 290 L CA -1.966 52.884 54.840 0.017 0.000 0.824 290 L CB 1.165 43.190 42.059 -0.057 0.000 1.221 290 L HN 0.017 nan 8.230 nan 0.000 0.418 291 P HA -0.098 nan 4.420 nan 0.000 0.267 291 P C -2.194 175.104 177.300 -0.002 0.000 1.158 291 P CA -0.524 62.581 63.100 0.010 0.000 0.756 291 P CB -0.097 31.612 31.700 0.014 0.000 0.766 292 P HA -0.074 nan 4.420 nan 0.000 0.233 292 P C 0.679 177.973 177.300 -0.010 0.000 1.167 292 P CA 1.187 64.279 63.100 -0.014 0.000 0.770 292 P CB 0.241 31.933 31.700 -0.015 0.000 0.837 293 E N -0.040 120.157 120.200 -0.004 0.000 2.158 293 E HA -0.021 4.329 4.350 0.000 0.000 0.191 293 E C 1.851 178.455 176.600 0.006 0.000 0.982 293 E CA 0.844 57.243 56.400 -0.002 0.000 0.823 293 E CB -0.386 29.313 29.700 -0.002 0.000 0.766 293 E HN 0.177 nan 8.360 nan 0.000 0.468 294 S N 0.761 116.469 115.700 0.015 0.000 2.496 294 S HA 0.010 4.480 4.470 0.000 0.000 0.224 294 S C 1.777 176.388 174.600 0.018 0.000 0.996 294 S CA 0.236 58.454 58.200 0.031 0.000 0.927 294 S CB 0.048 63.280 63.200 0.053 0.000 0.774 294 S HN 0.178 nan 8.310 nan 0.000 0.524 295 I N 2.140 122.710 120.570 -0.000 0.000 2.286 295 I HA -0.132 4.039 4.170 0.000 0.000 0.248 295 I C 2.643 178.749 176.117 -0.018 0.000 1.115 295 I CA 1.094 62.386 61.300 -0.014 0.000 1.392 295 I CB -1.696 36.289 38.000 -0.025 0.000 1.065 295 I HN 0.249 nan 8.210 nan 0.000 0.418 296 A N 1.199 124.009 122.820 -0.016 0.000 1.873 296 A HA -0.175 4.145 4.320 0.000 0.000 0.215 296 A C 2.295 179.862 177.584 -0.029 0.000 1.186 296 A CA 1.244 53.268 52.037 -0.023 0.000 0.616 296 A CB -0.457 18.531 19.000 -0.021 0.000 0.823 296 A HN 0.363 nan 8.150 nan 0.000 0.442 297 K N -0.489 119.897 120.400 -0.023 0.000 2.209 297 K HA -0.068 4.253 4.320 0.000 0.000 0.204 297 K C 1.668 178.230 176.600 -0.063 0.000 1.048 297 K CA 1.210 57.473 56.287 -0.041 0.000 0.940 297 K CB -0.404 32.084 32.500 -0.020 0.000 0.729 297 K HN 0.504 nan 8.250 nan 0.000 0.451 298 I N 1.633 122.187 120.570 -0.028 0.000 2.072 298 I HA -0.314 3.856 4.170 0.000 0.000 0.235 298 I C 2.561 178.648 176.117 -0.050 0.000 1.058 298 I CA 1.476 62.770 61.300 -0.010 0.000 1.320 298 I CB -0.563 37.458 38.000 0.035 0.000 1.047 298 I HN 0.113 nan 8.210 nan 0.000 0.397 299 A N 1.219 124.011 122.820 -0.047 0.000 1.985 299 A HA -0.363 3.957 4.320 0.000 0.000 0.223 299 A C 1.788 179.348 177.584 -0.041 0.000 1.189 299 A CA 2.708 54.715 52.037 -0.049 0.000 0.658 299 A CB -1.267 17.699 19.000 -0.055 0.000 0.820 299 A HN 0.678 nan 8.150 nan 0.000 0.464 300 D N 0.479 120.832 120.400 -0.077 0.000 2.087 300 D HA -0.169 4.471 4.640 0.000 0.000 0.192 300 D C 1.801 178.023 176.300 -0.130 0.000 0.993 300 D CA 2.147 56.090 54.000 -0.095 0.000 0.828 300 D CB -1.475 39.253 40.800 -0.119 0.000 0.968 300 D HN 0.618 nan 8.370 nan 0.000 0.448 301 V N -1.660 118.110 119.914 -0.239 0.000 2.515 301 V HA -0.234 3.886 4.120 0.000 0.000 0.250 301 V C 2.538 178.437 176.094 -0.325 0.000 1.058 301 V CA 1.862 63.941 62.300 -0.368 0.000 1.064 301 V CB -1.114 30.289 31.823 -0.700 0.000 0.675 301 V HN 0.304 nan 8.190 nan 0.000 0.461 302 H N 2.133 121.031 119.070 -0.287 0.000 2.290 302 H HA -0.120 4.436 4.556 0.000 0.000 0.298 302 H C 2.303 177.585 175.328 -0.076 0.000 1.087 302 H CA 2.466 58.430 56.048 -0.139 0.000 1.291 302 H CB -0.550 29.197 29.762 -0.025 0.000 1.369 302 H HN 0.500 nan 8.280 nan 0.000 0.492 303 G N -0.462 108.394 108.800 0.093 0.000 2.471 303 G HA2 -0.096 3.864 3.960 0.000 0.000 0.219 303 G HA3 -0.096 3.864 3.960 0.000 0.000 0.219 303 G C 1.782 176.676 174.900 -0.011 0.000 1.125 303 G CA 0.669 45.807 45.100 0.063 0.000 0.775 303 G HN 0.579 nan 8.290 nan 0.000 0.548 304 A N 0.586 123.379 122.820 -0.045 0.000 2.081 304 A HA 0.375 4.696 4.320 0.000 0.000 0.214 304 A C 2.550 180.124 177.584 -0.016 0.000 1.158 304 A CA 1.391 53.419 52.037 -0.015 0.000 0.724 304 A CB -0.600 18.381 19.000 -0.032 0.000 0.826 304 A HN 0.393 nan 8.150 nan 0.000 0.463 305 G N 0.612 109.363 108.800 -0.083 0.000 2.586 305 G HA2 -0.275 3.685 3.960 0.000 0.000 0.218 305 G HA3 -0.275 3.685 3.960 0.000 0.000 0.218 305 G C 1.428 176.312 174.900 -0.025 0.000 1.216 305 G CA 1.452 46.509 45.100 -0.072 0.000 0.786 305 G HN 0.370 nan 8.290 nan 0.000 0.583 306 L N 0.202 121.415 121.223 -0.016 0.000 2.042 306 L HA -0.042 4.298 4.340 0.000 0.000 0.210 306 L C 2.513 179.418 176.870 0.060 0.000 1.076 306 L CA 2.322 57.173 54.840 0.017 0.000 0.749 306 L CB -1.017 41.054 42.059 0.021 0.000 0.893 306 L HN 0.481 nan 8.230 nan 0.000 0.432 307 H N -1.228 117.827 119.070 -0.024 0.000 2.457 307 H HA -0.088 4.469 4.556 0.000 0.000 0.294 307 H C 2.372 177.691 175.328 -0.015 0.000 1.064 307 H CA 1.236 57.274 56.048 -0.016 0.000 1.330 307 H CB 0.069 29.822 29.762 -0.016 0.000 1.395 307 H HN 0.501 nan 8.280 nan 0.000 0.541 308 S N -0.109 115.538 115.700 -0.088 0.000 2.399 308 S HA -0.113 4.357 4.470 0.000 0.000 0.231 308 S C 2.065 176.594 174.600 -0.117 0.000 1.022 308 S CA 1.143 59.267 58.200 -0.127 0.000 0.983 308 S CB -0.381 62.785 63.200 -0.057 0.000 0.803 308 S HN 0.336 nan 8.310 nan 0.000 0.480 309 I N 2.520 123.047 120.570 -0.072 0.000 2.226 309 I HA -0.111 4.059 4.170 0.000 0.000 0.245 309 I C 2.647 178.725 176.117 -0.065 0.000 1.100 309 I CA 1.318 62.590 61.300 -0.047 0.000 1.374 309 I CB -1.700 36.293 38.000 -0.013 0.000 1.057 309 I HN 0.469 nan 8.210 nan 0.000 0.413 310 E N 0.933 121.078 120.200 -0.091 0.000 2.051 310 E HA -0.172 4.178 4.350 0.000 0.000 0.192 310 E C 2.401 178.912 176.600 -0.147 0.000 0.991 310 E CA 1.089 57.435 56.400 -0.091 0.000 0.799 310 E CB -0.113 29.562 29.700 -0.042 0.000 0.748 310 E HN 0.417 nan 8.360 nan 0.000 0.449 311 I N 0.928 121.334 120.570 -0.274 0.000 2.099 311 I HA -0.348 3.823 4.170 0.000 0.000 0.239 311 I C 2.618 178.665 176.117 -0.115 0.000 1.066 311 I CA 1.357 62.527 61.300 -0.216 0.000 1.324 311 I CB -0.267 37.578 38.000 -0.258 0.000 1.037 311 I HN 0.172 nan 8.210 nan 0.000 0.401 312 M N 0.089 119.630 119.600 -0.099 0.000 2.108 312 M HA -0.246 4.234 4.480 0.000 0.000 0.261 312 M C 2.386 178.657 176.300 -0.047 0.000 1.066 312 M CA 1.804 57.066 55.300 -0.063 0.000 1.107 312 M CB -0.521 32.048 32.600 -0.051 0.000 1.356 312 M HN 0.095 nan 8.290 nan 0.000 0.406 313 K N 0.809 121.183 120.400 -0.042 0.000 2.009 313 K HA -0.189 4.132 4.320 0.000 0.000 0.210 313 K C 1.999 178.583 176.600 -0.027 0.000 1.049 313 K CA 1.703 57.975 56.287 -0.026 0.000 0.929 313 K CB -0.342 32.148 32.500 -0.016 0.000 0.714 313 K HN 0.106 nan 8.250 nan 0.000 0.440 314 R N -0.286 120.194 120.500 -0.033 0.000 2.113 314 R HA -0.170 4.170 4.340 0.000 0.000 0.244 314 R C 2.002 178.286 176.300 -0.027 0.000 1.142 314 R CA 1.819 57.903 56.100 -0.026 0.000 0.953 314 R CB -0.564 29.718 30.300 -0.030 0.000 0.860 314 R HN 0.382 nan 8.270 nan 0.000 0.438 315 A N -0.604 122.196 122.820 -0.034 0.000 2.209 315 A HA 0.121 4.441 4.320 0.000 0.000 0.212 315 A C 1.349 178.913 177.584 -0.033 0.000 1.158 315 A CA 1.018 53.036 52.037 -0.032 0.000 0.742 315 A CB -0.285 18.694 19.000 -0.035 0.000 0.790 315 A HN 0.642 nan 8.150 nan 0.000 0.472 316 G N -1.389 107.392 108.800 -0.032 0.000 2.147 316 G HA2 -0.178 3.782 3.960 0.000 0.000 0.244 316 G HA3 -0.178 3.782 3.960 0.000 0.000 0.244 316 G C 0.112 174.985 174.900 -0.046 0.000 1.005 316 G CA 0.101 45.180 45.100 -0.035 0.000 0.713 316 G HN 0.749 nan 8.290 nan 0.000 0.515 317 V N 0.655 120.542 119.914 -0.045 0.000 2.521 317 V HA 0.215 4.335 4.120 0.000 0.000 0.286 317 V C 1.029 177.097 176.094 -0.043 0.000 1.034 317 V CA 0.185 62.452 62.300 -0.055 0.000 1.045 317 V CB 0.967 32.762 31.823 -0.046 0.000 0.974 317 V HN 0.424 nan 8.190 nan 0.000 0.480 318 K N 6.464 126.820 120.400 -0.072 0.000 2.363 318 K HA 0.342 4.662 4.320 0.000 0.000 0.289 318 K C -0.368 176.280 176.600 0.081 0.000 1.063 318 K CA 0.415 56.697 56.287 -0.007 0.000 0.967 318 K CB 0.237 32.693 32.500 -0.072 0.000 0.987 318 K HN 0.561 nan 8.250 nan 0.000 0.473 319 M N 2.539 122.187 119.600 0.081 0.000 2.149 319 M HA 0.250 4.731 4.480 0.000 0.000 0.342 319 M C 0.545 176.903 176.300 0.097 0.000 1.068 319 M CA -0.563 54.784 55.300 0.077 0.000 0.991 319 M CB 1.829 34.455 32.600 0.043 0.000 1.596 319 M HN 0.794 nan 8.290 nan 0.000 0.439 320 G N 1.852 110.702 108.800 0.083 0.000 2.580 320 G HA2 0.461 4.421 3.960 0.000 0.000 0.278 320 G HA3 0.461 4.421 3.960 0.000 0.000 0.278 320 G C -1.441 173.519 174.900 0.101 0.000 1.212 320 G CA -0.409 44.732 45.100 0.070 0.000 0.939 320 G HN 0.601 nan 8.290 nan 0.000 0.513 321 F N 0.250 120.179 119.950 -0.034 0.000 2.404 321 F HA 0.649 5.176 4.527 0.000 0.000 0.339 321 F C 0.465 176.223 175.800 -0.070 0.000 1.105 321 F CA 0.021 57.988 58.000 -0.055 0.000 1.087 321 F CB 1.613 40.592 39.000 -0.036 0.000 1.143 321 F HN 0.640 nan 8.300 nan 0.000 0.491 322 G N 2.110 110.530 108.800 -0.635 0.000 2.704 322 G HA2 0.440 4.401 3.960 0.000 0.000 0.293 322 G HA3 0.440 4.401 3.960 0.000 0.000 0.293 322 G C -0.495 174.038 174.900 -0.612 0.000 1.421 322 G CA -0.135 44.697 45.100 -0.447 0.000 0.870 322 G HN 0.768 nan 8.290 nan 0.000 0.492 323 T N -2.902 111.420 114.554 -0.388 0.000 3.115 323 T HA 0.211 4.561 4.350 0.000 0.000 0.256 323 T C 0.762 175.337 174.700 -0.208 0.000 0.970 323 T CA 1.218 63.114 62.100 -0.339 0.000 1.010 323 T CB 0.031 68.707 68.868 -0.319 0.000 1.151 323 T HN 0.849 nan 8.240 nan 0.000 0.479 324 D N 0.944 121.299 120.400 -0.076 0.000 2.689 324 D HA -0.122 4.519 4.640 0.000 0.000 0.237 324 D C -0.648 175.663 176.300 0.017 0.000 1.148 324 D CA 0.268 54.330 54.000 0.104 0.000 0.656 324 D CB -1.882 38.935 40.800 0.029 0.000 1.050 324 D HN 0.611 nan 8.370 nan 0.000 0.426 325 L N -0.264 120.930 121.223 -0.048 0.000 2.399 325 L HA 0.577 4.917 4.340 0.000 0.000 0.265 325 L C 0.638 177.431 176.870 -0.129 0.000 1.089 325 L CA -0.812 53.971 54.840 -0.094 0.000 0.802 325 L CB 1.029 43.018 42.059 -0.116 0.000 1.180 325 L HN 0.047 nan 8.230 nan 0.000 0.454 326 L N 0.864 121.930 121.223 -0.262 0.000 2.381 326 L HA 0.603 4.944 4.340 0.000 0.000 0.268 326 L C 0.775 177.105 176.870 -0.901 0.000 0.997 326 L CA -0.520 54.035 54.840 -0.475 0.000 0.818 326 L CB 1.575 43.367 42.059 -0.444 0.000 1.310 326 L HN 0.852 nan 8.230 nan 0.000 0.416 327 G N 2.211 110.598 108.800 -0.689 0.000 2.614 327 G HA2 -0.329 3.632 3.960 0.000 0.000 0.303 327 G HA3 -0.329 3.632 3.960 0.000 0.000 0.303 327 G C 0.836 175.431 174.900 -0.508 0.000 1.270 327 G CA 0.573 45.283 45.100 -0.650 0.000 0.988 327 G HN 0.848 nan 8.290 nan 0.000 0.551 328 E N 0.842 120.760 120.200 -0.470 0.000 2.267 328 E HA -0.044 4.306 4.350 0.000 0.000 0.197 328 E C 2.528 178.995 176.600 -0.222 0.000 0.998 328 E CA 1.839 58.030 56.400 -0.349 0.000 0.830 328 E CB -0.728 28.592 29.700 -0.632 0.000 0.751 328 E HN 1.204 nan 8.360 nan 0.000 0.491 329 A N 1.482 124.181 122.820 -0.202 0.000 2.168 329 A HA -0.135 4.185 4.320 0.000 0.000 0.215 329 A C 2.139 179.668 177.584 -0.091 0.000 1.152 329 A CA 0.610 52.620 52.037 -0.045 0.000 0.716 329 A CB -0.313 18.739 19.000 0.087 0.000 0.794 329 A HN 0.161 nan 8.150 nan 0.000 0.465 330 Q N 0.122 119.827 119.800 -0.158 0.000 2.152 330 Q HA -0.268 4.072 4.340 0.000 0.000 0.206 330 Q C 1.952 177.907 176.000 -0.075 0.000 0.985 330 Q CA 1.858 57.583 55.803 -0.129 0.000 0.863 330 Q CB -0.305 28.344 28.738 -0.150 0.000 0.904 330 Q HN 0.880 nan 8.270 nan 0.000 0.422 331 R N 0.597 121.065 120.500 -0.053 0.000 2.293 331 R HA -0.071 4.270 4.340 0.000 0.000 0.219 331 R C 1.630 177.944 176.300 0.024 0.000 1.091 331 R CA 0.958 57.053 56.100 -0.009 0.000 1.004 331 R CB -0.671 29.628 30.300 -0.000 0.000 0.865 331 R HN 0.200 nan 8.270 nan 0.000 0.469 332 L N 0.658 121.889 121.223 0.014 0.000 2.599 332 L HA 0.091 4.432 4.340 0.000 0.000 0.230 332 L C 2.324 179.221 176.870 0.045 0.000 1.141 332 L CA 0.280 55.145 54.840 0.042 0.000 0.877 332 L CB -0.469 41.614 42.059 0.039 0.000 1.009 332 L HN 0.364 nan 8.230 nan 0.000 0.447 333 Q N 0.578 120.389 119.800 0.018 0.000 2.082 333 Q HA -0.281 4.060 4.340 0.000 0.000 0.211 333 Q C 2.203 178.289 176.000 0.143 0.000 1.002 333 Q CA 2.567 58.363 55.803 -0.011 0.000 0.868 333 Q CB 0.051 28.724 28.738 -0.109 0.000 0.931 333 Q HN 0.478 nan 8.270 nan 0.000 0.414 334 S N 0.849 116.727 115.700 0.298 0.000 2.382 334 S HA -0.154 4.317 4.470 0.000 0.000 0.228 334 S C 1.267 176.112 174.600 0.409 0.000 1.027 334 S CA 1.256 59.761 58.200 0.508 0.000 0.991 334 S CB -0.359 63.113 63.200 0.452 0.000 0.823 334 S HN 0.438 nan 8.310 nan 0.000 0.469 335 D N 1.135 121.677 120.400 0.237 0.000 2.239 335 D HA -0.143 4.498 4.640 0.000 0.000 0.202 335 D C 1.826 178.221 176.300 0.159 0.000 0.993 335 D CA 0.951 55.063 54.000 0.186 0.000 0.874 335 D CB -0.346 40.525 40.800 0.118 0.000 0.922 335 D HN 0.399 nan 8.370 nan 0.000 0.464 336 E N -0.335 119.913 120.200 0.081 0.000 2.147 336 E HA -0.206 4.144 4.350 0.000 0.000 0.199 336 E C 1.667 178.346 176.600 0.132 0.000 1.005 336 E CA 0.983 57.363 56.400 -0.035 0.000 0.810 336 E CB -0.414 29.057 29.700 -0.382 0.000 0.736 336 E HN 0.277 nan 8.360 nan 0.000 0.460 337 F N 0.491 120.664 119.950 0.371 0.000 2.126 337 F HA -0.115 4.413 4.527 0.000 0.000 0.299 337 F C 2.591 178.485 175.800 0.156 0.000 1.096 337 F CA 1.842 60.005 58.000 0.273 0.000 1.255 337 F CB -0.561 38.535 39.000 0.160 0.000 0.997 337 F HN 0.118 nan 8.300 nan 0.000 0.479 338 R N 0.532 121.220 120.500 0.314 0.000 2.127 338 R HA -0.017 4.323 4.340 0.000 0.000 0.217 338 R C 1.964 178.348 176.300 0.141 0.000 1.074 338 R CA 1.247 57.465 56.100 0.197 0.000 0.991 338 R CB -0.481 29.919 30.300 0.167 0.000 0.895 338 R HN 0.290 nan 8.270 nan 0.000 0.450 339 I N 0.902 121.548 120.570 0.127 0.000 2.406 339 I HA -0.186 3.984 4.170 0.000 0.000 0.249 339 I C 2.112 178.275 176.117 0.077 0.000 1.122 339 I CA 0.834 62.183 61.300 0.081 0.000 1.431 339 I CB -0.085 37.946 38.000 0.050 0.000 1.087 339 I HN 0.163 nan 8.210 nan 0.000 0.424 340 L N 0.589 121.873 121.223 0.102 0.000 2.141 340 L HA -0.139 4.202 4.340 0.000 0.000 0.209 340 L C 2.667 179.601 176.870 0.107 0.000 1.094 340 L CA 1.026 55.926 54.840 0.102 0.000 0.763 340 L CB -0.534 41.612 42.059 0.145 0.000 0.908 340 L HN 0.241 nan 8.230 nan 0.000 0.437 341 A N -0.517 122.379 122.820 0.126 0.000 2.168 341 A HA -0.144 4.176 4.320 0.000 0.000 0.215 341 A C 2.001 179.628 177.584 0.072 0.000 1.152 341 A CA 0.830 52.927 52.037 0.100 0.000 0.716 341 A CB -0.323 18.741 19.000 0.107 0.000 0.794 341 A HN 0.427 nan 8.150 nan 0.000 0.465 342 E N -0.779 119.461 120.200 0.068 0.000 2.265 342 E HA -0.081 4.269 4.350 0.000 0.000 0.196 342 E C 1.235 177.863 176.600 0.047 0.000 0.996 342 E CA 1.185 57.616 56.400 0.053 0.000 0.832 342 E CB 0.037 29.766 29.700 0.049 0.000 0.756 342 E HN 0.464 nan 8.360 nan 0.000 0.491 343 V N -0.029 119.915 119.914 0.049 0.000 3.371 343 V HA 0.132 4.252 4.120 0.000 0.000 0.246 343 V C 0.402 176.521 176.094 0.041 0.000 1.303 343 V CA 0.242 62.568 62.300 0.043 0.000 1.156 343 V CB 0.654 32.501 31.823 0.040 0.000 0.929 343 V HN 0.023 nan 8.190 nan 0.000 0.459 344 L N 0.413 121.665 121.223 0.049 0.000 2.319 344 L HA 0.572 4.913 4.340 0.000 0.000 0.267 344 L C 0.338 177.238 176.870 0.050 0.000 1.011 344 L CA -0.545 54.323 54.840 0.047 0.000 0.818 344 L CB 2.011 44.104 42.059 0.057 0.000 1.316 344 L HN 0.216 nan 8.230 nan 0.000 0.432 345 S N 0.433 116.157 115.700 0.038 0.000 2.572 345 S HA 0.179 4.650 4.470 0.000 0.000 0.279 345 S C -1.953 172.671 174.600 0.040 0.000 1.341 345 S CA -0.854 57.365 58.200 0.032 0.000 1.043 345 S CB 0.934 64.146 63.200 0.020 0.000 0.887 345 S HN 0.418 nan 8.310 nan 0.000 0.516 346 P HA -0.146 nan 4.420 nan 0.000 0.216 346 P C 1.661 178.969 177.300 0.013 0.000 1.150 346 P CA 2.070 65.186 63.100 0.027 0.000 0.843 346 P CB -0.250 31.449 31.700 -0.002 0.000 0.787 347 A N 0.217 123.037 122.820 0.001 0.000 1.873 347 A HA -0.288 4.032 4.320 0.000 0.000 0.218 347 A C 2.143 179.730 177.584 0.005 0.000 1.193 347 A CA 2.065 54.096 52.037 -0.009 0.000 0.629 347 A CB -1.319 17.674 19.000 -0.011 0.000 0.826 347 A HN 0.239 nan 8.150 nan 0.000 0.447 348 E N -0.384 119.829 120.200 0.022 0.000 2.077 348 E HA -0.122 4.228 4.350 0.000 0.000 0.193 348 E C 2.012 178.651 176.600 0.065 0.000 0.989 348 E CA 1.271 57.692 56.400 0.034 0.000 0.800 348 E CB -0.404 29.318 29.700 0.037 0.000 0.746 348 E HN 0.423 nan 8.360 nan 0.000 0.452 349 V N 1.391 121.361 119.914 0.093 0.000 2.287 349 V HA -0.261 3.859 4.120 0.000 0.000 0.248 349 V C 2.235 178.422 176.094 0.155 0.000 1.053 349 V CA 1.517 63.918 62.300 0.169 0.000 1.027 349 V CB -0.376 31.584 31.823 0.229 0.000 0.646 349 V HN 0.177 nan 8.190 nan 0.000 0.447 350 I N 0.782 121.393 120.570 0.067 0.000 2.361 350 I HA -0.176 3.994 4.170 0.000 0.000 0.251 350 I C 2.503 178.613 176.117 -0.011 0.000 1.133 350 I CA 1.559 62.853 61.300 -0.009 0.000 1.413 350 I CB -1.015 36.929 38.000 -0.093 0.000 1.073 350 I HN 0.214 nan 8.210 nan 0.000 0.424 351 A N -0.009 122.813 122.820 0.003 0.000 1.930 351 A HA -0.193 4.127 4.320 0.000 0.000 0.217 351 A C 2.517 180.114 177.584 0.023 0.000 1.175 351 A CA 1.967 54.003 52.037 -0.002 0.000 0.627 351 A CB -0.979 18.020 19.000 -0.003 0.000 0.815 351 A HN 0.519 nan 8.150 nan 0.000 0.443 352 S N -0.036 115.703 115.700 0.064 0.000 2.402 352 S HA 0.122 4.593 4.470 0.000 0.000 0.229 352 S C 1.730 176.393 174.600 0.106 0.000 1.021 352 S CA 1.045 59.307 58.200 0.104 0.000 0.974 352 S CB -0.457 62.844 63.200 0.167 0.000 0.800 352 S HN 0.917 nan 8.310 nan 0.000 0.484 353 A N 1.128 123.974 122.820 0.043 0.000 2.307 353 A HA 0.415 4.736 4.320 0.000 0.000 0.218 353 A C 1.703 179.264 177.584 -0.039 0.000 1.228 353 A CA 0.725 52.733 52.037 -0.048 0.000 0.857 353 A CB -0.493 18.299 19.000 -0.347 0.000 0.897 353 A HN 0.742 nan 8.150 nan 0.000 0.495 354 T N -2.640 111.898 114.554 -0.028 0.000 3.359 354 T HA 0.135 4.485 4.350 0.000 0.000 0.160 354 T C 1.786 176.463 174.700 -0.038 0.000 0.924 354 T CA 0.630 62.703 62.100 -0.045 0.000 0.951 354 T CB -0.941 67.887 68.868 -0.066 0.000 1.404 354 T HN 0.344 nan 8.240 nan 0.000 0.309 355 I N 1.423 121.972 120.570 -0.035 0.000 2.252 355 I HA 0.026 4.196 4.170 0.000 0.000 0.245 355 I C 2.368 178.469 176.117 -0.026 0.000 1.102 355 I CA 1.015 62.296 61.300 -0.032 0.000 1.385 355 I CB -0.982 36.997 38.000 -0.033 0.000 1.064 355 I HN 0.128 nan 8.210 nan 0.000 0.414 356 V N 1.429 121.338 119.914 -0.007 0.000 2.358 356 V HA -0.214 3.906 4.120 0.000 0.000 0.246 356 V C 2.759 178.813 176.094 -0.067 0.000 1.047 356 V CA 2.322 64.627 62.300 0.009 0.000 1.035 356 V CB -0.627 31.230 31.823 0.056 0.000 0.658 356 V HN 0.469 nan 8.190 nan 0.000 0.452 357 S N 0.085 115.748 115.700 -0.061 0.000 2.387 357 S HA -0.066 4.405 4.470 0.000 0.000 0.226 357 S C 2.220 176.717 174.600 -0.171 0.000 1.026 357 S CA 1.170 59.303 58.200 -0.112 0.000 0.972 357 S CB -0.374 62.809 63.200 -0.029 0.000 0.814 357 S HN 0.633 nan 8.310 nan 0.000 0.477 358 A N 1.463 124.211 122.820 -0.121 0.000 1.933 358 A HA -0.169 4.151 4.320 0.000 0.000 0.218 358 A C 2.009 179.503 177.584 -0.150 0.000 1.175 358 A CA 1.665 53.629 52.037 -0.122 0.000 0.628 358 A CB -0.546 18.418 19.000 -0.061 0.000 0.814 358 A HN 0.572 nan 8.150 nan 0.000 0.444 359 E N -0.249 119.864 120.200 -0.146 0.000 2.051 359 E HA -0.140 4.210 4.350 0.000 0.000 0.192 359 E C 1.898 178.300 176.600 -0.330 0.000 0.991 359 E CA 1.452 57.761 56.400 -0.151 0.000 0.799 359 E CB -0.150 29.517 29.700 -0.055 0.000 0.748 359 E HN 0.321 nan 8.360 nan 0.000 0.449 360 V N 1.462 121.041 119.914 -0.558 0.000 2.380 360 V HA -0.273 3.847 4.120 0.000 0.000 0.251 360 V C 2.250 178.047 176.094 -0.495 0.000 1.063 360 V CA 1.494 63.333 62.300 -0.768 0.000 1.055 360 V CB -0.415 30.988 31.823 -0.700 0.000 0.657 360 V HN 0.371 nan 8.190 nan 0.000 0.455 361 L N 0.190 121.190 121.223 -0.372 0.000 2.599 361 L HA 0.235 4.575 4.340 0.000 0.000 0.230 361 L C 1.697 178.468 176.870 -0.165 0.000 1.141 361 L CA 0.763 55.381 54.840 -0.369 0.000 0.877 361 L CB -0.783 40.887 42.059 -0.648 0.000 1.009 361 L HN 0.565 nan 8.230 nan 0.000 0.447 362 G N 0.413 109.135 108.800 -0.131 0.000 2.221 362 G HA2 -0.283 3.677 3.960 0.000 0.000 0.265 362 G HA3 -0.283 3.677 3.960 0.000 0.000 0.265 362 G C 0.495 175.403 174.900 0.014 0.000 1.041 362 G CA 0.184 45.267 45.100 -0.029 0.000 0.807 362 G HN 0.246 nan 8.290 nan 0.000 0.502 363 M N 0.695 120.282 119.600 -0.022 0.000 2.685 363 M HA 0.134 4.615 4.480 0.000 0.000 0.355 363 M C 0.979 177.292 176.300 0.021 0.000 1.197 363 M CA -0.078 55.242 55.300 0.034 0.000 0.947 363 M CB 0.298 32.920 32.600 0.037 0.000 1.346 363 M HN 0.565 nan 8.290 nan 0.000 0.516 364 Q N 0.919 120.720 119.800 0.003 0.000 2.269 364 Q HA -0.040 4.301 4.340 0.000 0.000 0.300 364 Q C -0.248 175.764 176.000 0.021 0.000 1.070 364 Q CA 0.698 56.503 55.803 0.004 0.000 0.957 364 Q CB 0.286 29.026 28.738 0.003 0.000 1.131 364 Q HN 0.331 nan 8.270 nan 0.000 0.377 365 D N 1.279 121.689 120.400 0.016 0.000 2.978 365 D HA -0.154 4.486 4.640 0.000 0.000 0.205 365 D C 0.416 176.739 176.300 0.038 0.000 1.093 365 D CA 1.560 55.574 54.000 0.023 0.000 1.006 365 D CB -0.376 40.438 40.800 0.023 0.000 1.116 365 D HN 0.565 nan 8.370 nan 0.000 0.419 366 K N -0.277 120.157 120.400 0.056 0.000 2.244 366 K HA 0.306 4.627 4.320 0.000 0.000 0.200 366 K C 1.260 177.935 176.600 0.126 0.000 1.052 366 K CA 0.623 56.964 56.287 0.088 0.000 0.980 366 K CB 0.865 33.457 32.500 0.153 0.000 0.838 366 K HN 0.288 nan 8.250 nan 0.000 0.481 367 L N -1.928 119.347 121.223 0.088 0.000 2.341 367 L HA 0.516 4.856 4.340 0.000 0.000 0.254 367 L C 0.749 177.622 176.870 0.006 0.000 1.040 367 L CA -0.569 54.307 54.840 0.060 0.000 0.837 367 L CB 2.038 44.135 42.059 0.062 0.000 1.425 367 L HN 0.334 nan 8.230 nan 0.000 0.414 368 G N 0.676 109.467 108.800 -0.016 0.000 2.179 368 G HA2 -0.266 3.695 3.960 0.000 0.000 0.260 368 G HA3 -0.266 3.695 3.960 0.000 0.000 0.260 368 G C 0.067 174.938 174.900 -0.048 0.000 0.977 368 G CA 0.573 45.650 45.100 -0.039 0.000 0.641 368 G HN 0.678 nan 8.290 nan 0.000 0.533 369 R N -0.626 119.850 120.500 -0.039 0.000 2.536 369 R HA 0.515 4.856 4.340 0.000 0.000 0.269 369 R C -0.720 175.557 176.300 -0.038 0.000 1.113 369 R CA -1.003 55.070 56.100 -0.045 0.000 0.948 369 R CB 0.760 31.040 30.300 -0.033 0.000 1.237 369 R HN 0.112 nan 8.270 nan 0.000 0.441 370 I N 6.324 126.858 120.570 -0.060 0.000 2.243 370 I HA 0.159 4.330 4.170 0.000 0.000 0.297 370 I C 0.035 176.136 176.117 -0.026 0.000 1.161 370 I CA -0.281 60.987 61.300 -0.052 0.000 1.298 370 I CB 0.476 38.419 38.000 -0.096 0.000 1.475 370 I HN 0.292 nan 8.210 nan 0.000 0.561 371 V N 4.105 124.022 119.914 0.005 0.000 3.102 371 V HA 0.705 4.825 4.120 0.000 0.000 0.312 371 V C -2.700 173.424 176.094 0.050 0.000 1.135 371 V CA -2.567 59.748 62.300 0.026 0.000 1.022 371 V CB 1.807 33.644 31.823 0.023 0.000 1.056 371 V HN 0.252 nan 8.190 nan 0.000 0.436 372 P HA 0.304 nan 4.420 nan 0.000 0.267 372 P C 0.828 178.168 177.300 0.068 0.000 1.209 372 P CA 1.680 64.823 63.100 0.070 0.000 0.763 372 P CB 0.797 32.533 31.700 0.060 0.000 0.816 373 G N 1.956 110.816 108.800 0.099 0.000 2.232 373 G HA2 -0.137 3.823 3.960 0.000 0.000 0.226 373 G HA3 -0.137 3.823 3.960 0.000 0.000 0.226 373 G C 0.353 175.358 174.900 0.175 0.000 0.996 373 G CA 0.059 45.221 45.100 0.104 0.000 0.626 373 G HN 0.861 nan 8.290 nan 0.000 0.509 374 A N 0.811 123.700 122.820 0.115 0.000 2.313 374 A HA 0.631 4.952 4.320 0.000 0.000 0.261 374 A C 0.502 178.072 177.584 -0.023 0.000 1.090 374 A CA -0.340 51.724 52.037 0.044 0.000 0.807 374 A CB 0.117 19.140 19.000 0.037 0.000 1.055 374 A HN 0.442 nan 8.150 nan 0.000 0.492 375 H N 0.340 119.375 119.070 -0.059 0.000 2.928 375 H HA 0.191 4.747 4.556 0.000 0.000 0.338 375 H C 0.796 176.029 175.328 -0.158 0.000 1.047 375 H CA 0.971 56.842 56.048 -0.295 0.000 1.435 375 H CB 0.745 30.356 29.762 -0.252 0.000 1.428 375 H HN 0.692 nan 8.280 nan 0.000 0.590 376 A N 4.333 127.126 122.820 -0.044 0.000 3.030 376 A HA 0.042 4.362 4.320 0.000 0.000 0.273 376 A C -0.340 177.249 177.584 0.009 0.000 1.841 376 A CA -0.342 51.707 52.037 0.021 0.000 1.479 376 A CB -0.773 18.275 19.000 0.081 0.000 1.048 376 A HN 0.473 nan 8.150 nan 0.000 0.612 377 D N 0.800 121.194 120.400 -0.010 0.000 2.427 377 D HA 0.501 5.141 4.640 0.000 0.000 0.226 377 D C -0.596 175.659 176.300 -0.076 0.000 1.076 377 D CA 0.117 54.097 54.000 -0.034 0.000 0.849 377 D CB 1.554 42.334 40.800 -0.034 0.000 1.052 377 D HN 0.106 nan 8.370 nan 0.000 0.515 378 V N 2.651 122.507 119.914 -0.097 0.000 2.808 378 V HA 0.488 4.609 4.120 0.000 0.000 0.308 378 V C -0.209 175.792 176.094 -0.155 0.000 1.099 378 V CA -0.883 61.308 62.300 -0.180 0.000 0.920 378 V CB 2.053 33.677 31.823 -0.331 0.000 1.014 378 V HN 0.319 nan 8.190 nan 0.000 0.425 379 L N 3.207 124.324 121.223 -0.176 0.000 2.319 379 L HA 0.810 5.150 4.340 0.000 0.000 0.267 379 L C -0.850 175.936 176.870 -0.140 0.000 1.011 379 L CA -1.114 53.645 54.840 -0.135 0.000 0.818 379 L CB 2.149 44.119 42.059 -0.148 0.000 1.316 379 L HN 0.329 nan 8.230 nan 0.000 0.432 380 V N 2.211 122.080 119.914 -0.075 0.000 2.409 380 V HA 0.406 4.526 4.120 0.000 0.000 0.291 380 V C -0.203 175.866 176.094 -0.042 0.000 1.020 380 V CA -0.571 61.698 62.300 -0.051 0.000 0.848 380 V CB 2.131 33.967 31.823 0.021 0.000 0.990 380 V HN 0.434 nan 8.190 nan 0.000 0.430 381 V N 3.414 123.294 119.914 -0.057 0.000 2.417 381 V HA 0.328 4.449 4.120 0.000 0.000 0.291 381 V C -0.026 176.052 176.094 -0.026 0.000 1.024 381 V CA -0.554 61.716 62.300 -0.050 0.000 0.861 381 V CB 1.901 33.666 31.823 -0.097 0.000 0.985 381 V HN 0.903 nan 8.190 nan 0.000 0.436 382 D N 4.121 124.527 120.400 0.011 0.000 2.545 382 D HA 0.502 5.143 4.640 0.000 0.000 0.227 382 D C 0.385 176.653 176.300 -0.053 0.000 1.150 382 D CA 1.194 55.200 54.000 0.009 0.000 1.046 382 D CB -0.121 40.724 40.800 0.075 0.000 1.098 382 D HN 0.890 nan 8.370 nan 0.000 0.502 383 G N 1.697 110.457 108.800 -0.067 0.000 2.337 383 G HA2 0.103 4.063 3.960 0.000 0.000 0.298 383 G HA3 0.103 4.063 3.960 0.000 0.000 0.298 383 G C -1.465 173.384 174.900 -0.085 0.000 1.335 383 G CA -1.069 43.973 45.100 -0.096 0.000 0.875 383 G HN 0.273 nan 8.290 nan 0.000 0.579 384 N N 0.609 119.257 118.700 -0.087 0.000 2.696 384 N HA 0.529 5.269 4.740 0.000 0.000 0.246 384 N C -1.686 173.770 175.510 -0.090 0.000 1.057 384 N CA -2.277 50.725 53.050 -0.080 0.000 0.867 384 N CB 2.150 40.601 38.487 -0.059 0.000 1.141 384 N HN 0.046 nan 8.380 nan 0.000 0.517 385 P HA -0.041 nan 4.420 nan 0.000 0.223 385 P C 1.159 178.397 177.300 -0.103 0.000 1.144 385 P CA 0.871 63.888 63.100 -0.139 0.000 0.783 385 P CB 0.408 31.992 31.700 -0.192 0.000 0.771 386 L N -1.161 120.015 121.223 -0.080 0.000 2.313 386 L HA -0.030 4.311 4.340 0.000 0.000 0.214 386 L C 2.142 178.989 176.870 -0.039 0.000 1.119 386 L CA 1.110 55.917 54.840 -0.055 0.000 0.809 386 L CB -0.450 41.581 42.059 -0.047 0.000 0.933 386 L HN -0.004 nan 8.230 nan 0.000 0.449 387 K N -0.933 119.442 120.400 -0.042 0.000 2.202 387 K HA 0.118 4.438 4.320 0.000 0.000 0.201 387 K C 0.731 177.314 176.600 -0.028 0.000 1.051 387 K CA 0.377 56.646 56.287 -0.030 0.000 0.977 387 K CB 0.614 33.096 32.500 -0.030 0.000 0.792 387 K HN 0.085 nan 8.250 nan 0.000 0.469 388 S N -0.208 115.467 115.700 -0.042 0.000 2.543 388 S HA 0.200 4.671 4.470 0.000 0.000 0.271 388 S C 0.132 174.698 174.600 -0.058 0.000 1.148 388 S CA -0.685 57.493 58.200 -0.036 0.000 0.914 388 S CB 2.031 65.212 63.200 -0.032 0.000 1.096 388 S HN -0.120 nan 8.310 nan 0.000 0.471 389 V N 3.678 123.569 119.914 -0.038 0.000 3.573 389 V HA 0.026 4.146 4.120 0.000 0.000 0.270 389 V C 1.228 177.285 176.094 -0.061 0.000 1.221 389 V CA 1.285 63.542 62.300 -0.071 0.000 1.163 389 V CB -0.393 31.437 31.823 0.012 0.000 0.847 389 V HN 0.829 nan 8.190 nan 0.000 0.468 390 D N 0.327 120.711 120.400 -0.027 0.000 2.178 390 D HA -0.167 4.473 4.640 0.000 0.000 0.201 390 D C 2.122 178.419 176.300 -0.005 0.000 0.980 390 D CA 1.788 55.788 54.000 0.001 0.000 0.842 390 D CB -0.445 40.354 40.800 -0.002 0.000 0.948 390 D HN 0.711 nan 8.370 nan 0.000 0.472 391 C N -0.272 118.987 119.300 -0.069 0.000 2.491 391 C HA 0.158 4.618 4.460 0.000 0.000 0.277 391 C C 2.319 177.312 174.990 0.005 0.000 1.455 391 C CA -0.349 58.634 59.018 -0.059 0.000 1.758 391 C CB -1.549 26.099 27.740 -0.153 0.000 1.745 391 C HN 0.202 nan 8.230 nan 0.000 0.558 392 L N -0.230 120.938 121.223 -0.091 0.000 2.558 392 L HA 0.208 4.549 4.340 0.000 0.000 0.225 392 L C 0.870 177.741 176.870 0.002 0.000 1.128 392 L CA -0.069 54.672 54.840 -0.165 0.000 0.868 392 L CB -0.373 41.369 42.059 -0.527 0.000 1.006 392 L HN 0.261 nan 8.230 nan 0.000 0.454 393 L N -0.206 121.066 121.223 0.082 0.000 2.453 393 L HA 0.457 4.797 4.340 0.000 0.000 0.261 393 L C 1.135 178.083 176.870 0.129 0.000 1.179 393 L CA 1.131 56.058 54.840 0.146 0.000 0.813 393 L CB 0.357 42.497 42.059 0.136 0.000 1.110 393 L HN 0.250 nan 8.230 nan 0.000 0.466 394 G N 2.064 110.944 108.800 0.134 0.000 2.509 394 G HA2 -0.279 3.681 3.960 0.000 0.000 0.256 394 G HA3 -0.279 3.681 3.960 0.000 0.000 0.256 394 G C 0.140 175.093 174.900 0.089 0.000 1.152 394 G CA 0.181 45.338 45.100 0.094 0.000 0.951 394 G HN 0.501 nan 8.290 nan 0.000 0.559 395 Q N 1.433 121.260 119.800 0.046 0.000 2.155 395 Q HA 0.498 4.838 4.340 0.000 0.000 0.273 395 Q C 1.099 177.109 176.000 0.018 0.000 0.857 395 Q CA 1.392 57.220 55.803 0.041 0.000 1.116 395 Q CB 0.044 28.797 28.738 0.024 0.000 1.209 395 Q HN 2.337 nan 8.270 nan 0.000 0.460 396 G N 0.345 109.152 108.800 0.013 0.000 2.136 396 G HA2 -0.325 3.635 3.960 0.000 0.000 0.242 396 G HA3 -0.325 3.635 3.960 0.000 0.000 0.242 396 G C 0.709 175.568 174.900 -0.069 0.000 0.989 396 G CA 0.580 45.672 45.100 -0.013 0.000 0.682 396 G HN 0.412 nan 8.290 nan 0.000 0.522 397 E N -0.155 119.954 120.200 -0.152 0.000 2.160 397 E HA -0.055 4.295 4.350 0.000 0.000 0.195 397 E C 1.752 178.112 176.600 -0.399 0.000 0.991 397 E CA 1.406 57.619 56.400 -0.312 0.000 0.810 397 E CB -0.091 29.328 29.700 -0.468 0.000 0.742 397 E HN 0.741 nan 8.360 nan 0.000 0.466 398 H N -1.129 117.934 119.070 -0.011 0.000 2.505 398 H HA 0.291 4.848 4.556 0.001 0.000 0.286 398 H C -0.171 175.133 175.328 -0.039 0.000 1.072 398 H CA 0.043 56.076 56.048 -0.024 0.000 1.141 398 H CB 0.233 29.976 29.762 -0.032 0.000 1.550 398 H HN 0.091 nan 8.280 nan 0.000 0.547 399 I N 2.109 122.693 120.570 0.023 0.000 2.557 399 I HA 0.175 4.345 4.170 0.000 0.000 0.277 399 I C -1.893 174.224 176.117 0.001 0.000 1.106 399 I CA -1.745 59.552 61.300 -0.005 0.000 1.180 399 I CB 1.813 39.789 38.000 -0.039 0.000 1.392 399 I HN -0.201 nan 8.210 nan 0.000 0.506 400 P HA -0.073 nan 4.420 nan 0.000 0.218 400 P C 0.182 177.500 177.300 0.031 0.000 1.149 400 P CA 1.106 64.220 63.100 0.024 0.000 0.817 400 P CB 0.465 32.186 31.700 0.036 0.000 0.785 401 L N -1.044 120.197 121.223 0.030 0.000 2.386 401 L HA 0.516 4.856 4.340 0.000 0.000 0.271 401 L C -1.431 175.453 176.870 0.024 0.000 0.993 401 L CA -0.931 53.936 54.840 0.044 0.000 0.819 401 L CB 2.324 44.432 42.059 0.083 0.000 1.294 401 L HN -0.459 nan 8.230 nan 0.000 0.414 402 V N 5.760 125.699 119.914 0.041 0.000 2.482 402 V HA 0.459 4.579 4.120 0.000 0.000 0.295 402 V C -0.375 175.771 176.094 0.086 0.000 1.026 402 V CA -0.353 61.969 62.300 0.036 0.000 0.856 402 V CB 1.660 33.506 31.823 0.038 0.000 1.001 402 V HN 0.845 nan 8.190 nan 0.000 0.424 403 M N 5.735 125.367 119.600 0.053 0.000 2.311 403 M HA 0.663 5.143 4.480 0.000 0.000 0.325 403 M C -1.186 175.159 176.300 0.075 0.000 1.061 403 M CA -0.407 54.941 55.300 0.080 0.000 0.957 403 M CB 1.685 34.298 32.600 0.021 0.000 1.646 403 M HN 0.598 nan 8.290 nan 0.000 0.434 404 K N 4.425 124.927 120.400 0.171 0.000 2.482 404 K HA 0.237 4.557 4.320 0.000 0.000 0.251 404 K C -1.002 175.682 176.600 0.140 0.000 0.936 404 K CA -0.025 56.303 56.287 0.068 0.000 0.791 404 K CB 1.224 33.654 32.500 -0.117 0.000 1.213 404 K HN 0.948 nan 8.250 nan 0.000 0.428 405 D N 2.834 123.254 120.400 0.033 0.000 3.012 405 D HA -0.189 4.452 4.640 0.000 0.000 0.222 405 D C 0.607 176.955 176.300 0.079 0.000 1.167 405 D CA 1.962 55.977 54.000 0.025 0.000 0.854 405 D CB -0.940 39.894 40.800 0.057 0.000 1.107 405 D HN 1.114 nan 8.370 nan 0.000 0.421 406 G N -0.241 108.611 108.800 0.087 0.000 2.159 406 G HA2 -0.366 3.594 3.960 0.000 0.000 0.256 406 G HA3 -0.366 3.594 3.960 0.000 0.000 0.256 406 G C 0.224 175.194 174.900 0.118 0.000 0.977 406 G CA 0.635 45.809 45.100 0.123 0.000 0.652 406 G HN 0.498 nan 8.290 nan 0.000 0.531 407 R N -0.469 120.086 120.500 0.092 0.000 2.514 407 R HA 0.660 5.000 4.340 0.000 0.000 0.301 407 R C 0.334 176.593 176.300 -0.068 0.000 0.962 407 R CA -0.907 55.193 56.100 -0.001 0.000 0.882 407 R CB 1.419 31.672 30.300 -0.078 0.000 1.143 407 R HN 0.167 nan 8.270 nan 0.000 0.452 408 L N 3.880 124.999 121.223 -0.173 0.000 2.369 408 L HA 0.178 4.518 4.340 0.000 0.000 0.279 408 L C 0.298 177.072 176.870 -0.160 0.000 1.108 408 L CA 0.178 54.950 54.840 -0.112 0.000 0.852 408 L CB 0.239 42.232 42.059 -0.110 0.000 1.169 408 L HN 0.712 nan 8.230 nan 0.000 0.452 409 F N 2.248 122.185 119.950 -0.022 0.000 2.656 409 F HA 0.145 4.672 4.527 0.001 0.000 0.291 409 F C 0.660 176.458 175.800 -0.003 0.000 1.122 409 F CA 0.143 58.139 58.000 -0.008 0.000 1.427 409 F CB 0.690 39.686 39.000 -0.007 0.000 1.125 409 F HN 0.159 nan 8.300 nan 0.000 0.583 410 V N 0.142 120.144 119.914 0.148 0.000 2.888 410 V HA 0.419 4.539 4.120 0.000 0.000 0.309 410 V C -1.220 174.907 176.094 0.056 0.000 1.114 410 V CA -0.847 61.503 62.300 0.084 0.000 0.940 410 V CB 2.070 33.940 31.823 0.077 0.000 1.021 410 V HN 0.113 nan 8.190 nan 0.000 0.426 411 N N 2.906 121.632 118.700 0.043 0.000 3.112 411 N HA 0.125 4.865 4.740 0.000 0.000 0.231 411 N C -0.536 174.998 175.510 0.041 0.000 1.385 411 N CA -0.302 52.774 53.050 0.044 0.000 0.790 411 N CB 1.265 39.778 38.487 0.044 0.000 1.563 411 N HN 0.874 nan 8.380 nan 0.000 0.613 412 E N 3.453 123.676 120.200 0.038 0.000 2.663 412 E HA 0.224 4.575 4.350 0.000 0.000 0.240 412 E C 0.242 176.864 176.600 0.037 0.000 1.227 412 E CA -0.355 56.064 56.400 0.033 0.000 1.528 412 E CB 0.449 30.163 29.700 0.024 0.000 1.472 412 E HN 0.455 nan 8.360 nan 0.000 0.433 413 L N -0.040 121.209 121.223 0.045 0.000 2.349 413 L HA 0.166 4.506 4.340 0.000 0.000 0.200 413 L C 1.213 178.108 176.870 0.042 0.000 1.064 413 L CA 0.118 54.985 54.840 0.045 0.000 0.821 413 L CB -0.077 42.014 42.059 0.053 0.000 1.027 413 L HN 0.190 nan 8.230 nan 0.000 0.476 414 E N 0.000 120.230 120.200 0.051 0.000 2.725 414 E HA 0.000 4.350 4.350 0.000 0.000 0.291 414 E CA 0.000 56.429 56.400 0.049 0.000 0.976 414 E CB 0.000 29.739 29.700 0.065 0.000 0.812 414 E HN 0.000 nan 8.360 nan 0.000 0.440