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 2j6h_1_A DATA FIRST_RESID 1 DATA SEQUENCE CGIVGAIAQR DVAEILLEGL RRLEYRGYDS AGLAVVDAEG HMTRLRRLGK DATA SEQUENCE VQMLAQAAEE HPLHGGTGIA HTRWATHGEP SEVNAHPHVS EHIVVVHNGI DATA SEQUENCE IENHEPLREE LKARGYTFVS ETDTEVIAHL VNWELKQGGT LREAVLRAIP DATA SEQUENCE QLRGAYGTVI MDSRHPDTLL AARSGSPLVI GLGMGENFIA SDQLALLPVT DATA SEQUENCE RRFIFLEEGD IAEITRRSVN IFDKTGAEVK RQDIESNLQY DAGDKGIYRH DATA SEQUENCE YMQKEIYEQP NAIKNTLTGR ISHGQVDLSE LGPNADELLS KVEHIQILAC DATA SEQUENCE GTSYNSGMVS RYWFESLAGI PCDVEIASEF RYRKSAVRRN SLMITLSQSG DATA SEQUENCE ETADTLAGLR LSKELGYLGS LAICNVPGSS LVRESDLALM TNAGTEIGVA DATA SEQUENCE STKAFTTQLT VLLMLVAKLS RLKGLDASIE HDIVHGLQAL PSRIEQMLSQ DATA SEQUENCE DKRIEALAED FSDKHHALFL GRGDQYPIAL EGALKLKEIS YIHAEAYAAG DATA SEQUENCE ELKHGPLALI DADMPVIVVA PNNELLEKLK SNIEEVRARG GQLYVFADQD DATA SEQUENCE AGFVSSDNMH IIEMPHVEEV IAPIFYTVPL QLLAYHVALI KGTDVDQPRN DATA SEQUENCE LAKSVTVE 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 1 C HA 0.000 nan 4.460 nan 0.000 0.325 1 C C 0.000 174.826 174.990 -0.274 0.000 1.270 1 C CA 0.000 58.871 59.018 -0.245 0.000 1.963 1 C CB 0.000 27.594 27.740 -0.244 0.000 2.134 2 G N 0.761 109.338 108.800 -0.372 0.000 2.513 2 G HA2 0.812 4.772 3.960 0.000 0.000 0.317 2 G HA3 0.812 4.772 3.960 0.000 0.000 0.317 2 G C -1.058 173.739 174.900 -0.170 0.000 1.277 2 G CA -0.477 44.478 45.100 -0.241 0.000 0.955 2 G HN 1.076 nan 8.290 nan 0.000 0.484 3 I N -0.509 120.046 120.570 -0.026 0.000 2.689 3 I HA 0.881 5.051 4.170 0.000 0.000 0.299 3 I C -1.010 175.148 176.117 0.067 0.000 1.059 3 I CA -1.331 60.012 61.300 0.073 0.000 1.055 3 I CB 2.443 40.535 38.000 0.152 0.000 1.243 3 I HN 0.252 nan 8.210 nan 0.000 0.425 4 V N 2.509 122.477 119.914 0.089 0.000 2.925 4 V HA 0.934 5.054 4.120 0.000 0.000 0.311 4 V C 0.108 176.273 176.094 0.118 0.000 1.104 4 V CA -0.422 61.934 62.300 0.095 0.000 0.954 4 V CB 1.789 33.657 31.823 0.076 0.000 1.022 4 V HN 1.124 nan 8.190 nan 0.000 0.427 5 G N 0.957 109.841 108.800 0.140 0.000 2.667 5 G HA2 0.907 4.867 3.960 0.000 0.000 0.298 5 G HA3 0.907 4.867 3.960 0.000 0.000 0.298 5 G C -1.287 173.718 174.900 0.175 0.000 1.377 5 G CA -0.184 44.994 45.100 0.130 0.000 0.964 5 G HN 1.332 nan 8.290 nan 0.000 0.493 6 A N 0.754 123.650 122.820 0.126 0.000 2.547 6 A HA 0.806 5.126 4.320 0.000 0.000 0.297 6 A C -1.532 176.016 177.584 -0.060 0.000 1.056 6 A CA -0.539 51.550 52.037 0.087 0.000 0.688 6 A CB 1.645 20.857 19.000 0.354 0.000 1.282 6 A HN 1.510 nan 8.150 nan 0.000 0.400 7 I N 1.287 121.700 120.570 -0.262 0.000 2.534 7 I HA 0.750 4.921 4.170 0.000 0.000 0.286 7 I C -0.374 175.608 176.117 -0.225 0.000 1.094 7 I CA -0.011 61.183 61.300 -0.177 0.000 1.055 7 I CB 1.427 39.348 38.000 -0.131 0.000 1.225 7 I HN 1.271 nan 8.210 nan 0.000 0.435 8 A N 5.381 128.139 122.820 -0.103 0.000 2.524 8 A HA 0.497 4.817 4.320 0.000 0.000 0.303 8 A C -0.425 177.148 177.584 -0.019 0.000 1.195 8 A CA -0.494 51.502 52.037 -0.068 0.000 0.651 8 A CB 1.452 20.444 19.000 -0.013 0.000 1.323 8 A HN 0.654 nan 8.150 nan 0.000 0.479 9 Q N -0.278 119.522 119.800 -0.000 0.000 2.226 9 Q HA 0.059 4.399 4.340 0.000 0.000 0.199 9 Q C 0.782 176.796 176.000 0.024 0.000 0.945 9 Q CA 0.587 56.395 55.803 0.007 0.000 0.861 9 Q CB -0.020 28.720 28.738 0.004 0.000 0.953 9 Q HN 0.711 nan 8.270 nan 0.000 0.490 10 R N 1.572 122.095 120.500 0.039 0.000 2.726 10 R HA 0.139 4.479 4.340 0.000 0.000 0.272 10 R C -0.512 175.830 176.300 0.069 0.000 1.097 10 R CA -0.583 55.548 56.100 0.052 0.000 1.198 10 R CB 0.215 30.552 30.300 0.061 0.000 1.114 10 R HN -0.167 nan 8.270 nan 0.000 0.550 11 D N 0.587 121.037 120.400 0.083 0.000 2.472 11 D HA 0.012 4.652 4.640 0.000 0.000 0.237 11 D C 0.882 177.243 176.300 0.102 0.000 1.141 11 D CA 0.125 54.187 54.000 0.104 0.000 0.875 11 D CB 1.350 42.231 40.800 0.134 0.000 1.192 11 D HN 0.508 nan 8.370 nan 0.000 0.450 12 V N -0.544 119.432 119.914 0.104 0.000 3.477 12 V HA 0.305 4.425 4.120 0.000 0.000 0.297 12 V C 1.709 177.861 176.094 0.097 0.000 1.433 12 V CA 0.431 62.805 62.300 0.123 0.000 1.052 12 V CB 0.102 32.014 31.823 0.148 0.000 0.895 12 V HN 0.480 nan 8.190 nan 0.000 0.438 13 A N 1.446 124.311 122.820 0.075 0.000 1.884 13 A HA -0.210 4.110 4.320 0.000 0.000 0.219 13 A C 2.168 179.779 177.584 0.046 0.000 1.197 13 A CA 2.408 54.477 52.037 0.053 0.000 0.637 13 A CB -0.520 18.498 19.000 0.031 0.000 0.827 13 A HN 0.571 nan 8.150 nan 0.000 0.450 14 E N -0.162 120.065 120.200 0.043 0.000 2.077 14 E HA -0.175 4.175 4.350 0.000 0.000 0.193 14 E C 2.042 178.655 176.600 0.022 0.000 0.989 14 E CA 1.286 57.703 56.400 0.030 0.000 0.800 14 E CB -0.544 29.173 29.700 0.028 0.000 0.746 14 E HN 0.747 nan 8.360 nan 0.000 0.452 15 I N 1.188 121.777 120.570 0.031 0.000 2.163 15 I HA -0.301 3.869 4.170 0.000 0.000 0.243 15 I C 2.573 178.699 176.117 0.015 0.000 1.085 15 I CA 1.048 62.352 61.300 0.006 0.000 1.347 15 I CB -0.359 37.657 38.000 0.027 0.000 1.044 15 I HN 0.034 nan 8.210 nan 0.000 0.408 16 L N -0.013 121.243 121.223 0.055 0.000 2.042 16 L HA -0.246 4.094 4.340 0.000 0.000 0.210 16 L C 2.509 179.396 176.870 0.029 0.000 1.076 16 L CA 1.426 56.299 54.840 0.055 0.000 0.749 16 L CB -0.537 41.565 42.059 0.072 0.000 0.893 16 L HN 0.291 nan 8.230 nan 0.000 0.432 17 L N -0.709 120.528 121.223 0.024 0.000 2.109 17 L HA -0.173 4.167 4.340 0.000 0.000 0.207 17 L C 2.613 179.484 176.870 0.002 0.000 1.086 17 L CA 0.778 55.628 54.840 0.017 0.000 0.760 17 L CB -0.389 41.682 42.059 0.020 0.000 0.910 17 L HN 0.202 nan 8.230 nan 0.000 0.437 18 E N 0.763 120.956 120.200 -0.011 0.000 2.077 18 E HA -0.164 4.186 4.350 0.000 0.000 0.193 18 E C 2.144 178.705 176.600 -0.064 0.000 0.989 18 E CA 1.522 57.900 56.400 -0.036 0.000 0.800 18 E CB -0.504 29.166 29.700 -0.050 0.000 0.746 18 E HN 0.312 nan 8.360 nan 0.000 0.452 19 G N 0.926 109.691 108.800 -0.058 0.000 2.476 19 G HA2 -0.264 3.696 3.960 0.000 0.000 0.218 19 G HA3 -0.264 3.696 3.960 0.000 0.000 0.218 19 G C 1.639 176.516 174.900 -0.039 0.000 1.164 19 G CA 1.097 46.161 45.100 -0.060 0.000 0.768 19 G HN 0.328 nan 8.290 nan 0.000 0.560 20 L N -0.340 120.873 121.223 -0.017 0.000 2.083 20 L HA -0.052 4.288 4.340 0.000 0.000 0.209 20 L C 3.196 180.067 176.870 0.001 0.000 1.083 20 L CA 0.969 55.801 54.840 -0.013 0.000 0.752 20 L CB -0.385 41.673 42.059 -0.002 0.000 0.899 20 L HN 0.186 nan 8.230 nan 0.000 0.433 21 R N -0.036 120.467 120.500 0.006 0.000 2.091 21 R HA -0.169 4.171 4.340 0.000 0.000 0.238 21 R C 2.284 178.617 176.300 0.055 0.000 1.136 21 R CA 1.365 57.484 56.100 0.033 0.000 0.959 21 R CB -0.274 30.046 30.300 0.033 0.000 0.856 21 R HN 0.351 nan 8.270 nan 0.000 0.437 22 R N 0.136 120.630 120.500 -0.009 0.000 2.275 22 R HA 0.072 4.412 4.340 0.000 0.000 0.199 22 R C 1.346 177.734 176.300 0.147 0.000 0.989 22 R CA 0.546 56.628 56.100 -0.030 0.000 1.016 22 R CB 0.245 30.335 30.300 -0.350 0.000 0.918 22 R HN 0.205 nan 8.270 nan 0.000 0.473 23 L N -0.529 120.758 121.223 0.105 0.000 2.808 23 L HA 0.159 4.499 4.340 0.000 0.000 0.246 23 L C 1.624 178.452 176.870 -0.071 0.000 1.153 23 L CA -0.023 54.862 54.840 0.074 0.000 0.956 23 L CB 0.294 42.325 42.059 -0.046 0.000 1.270 23 L HN 0.105 nan 8.230 nan 0.000 0.528 24 E N 0.941 121.176 120.200 0.059 0.000 2.267 24 E HA -0.244 4.106 4.350 0.000 0.000 0.197 24 E C 1.839 178.482 176.600 0.072 0.000 0.998 24 E CA 1.406 57.841 56.400 0.059 0.000 0.830 24 E CB 0.056 29.823 29.700 0.113 0.000 0.751 24 E HN 0.673 nan 8.360 nan 0.000 0.491 25 Y N -0.673 119.648 120.300 0.034 0.000 2.569 25 Y HA -0.009 4.541 4.550 0.000 0.000 0.293 25 Y C 1.430 177.316 175.900 -0.022 0.000 1.144 25 Y CA 0.551 58.664 58.100 0.021 0.000 1.321 25 Y CB -0.320 38.137 38.460 -0.005 0.000 0.982 25 Y HN -0.098 nan 8.280 nan 0.000 0.558 26 R N 0.656 120.725 120.500 -0.718 0.000 2.280 26 R HA 0.404 4.744 4.340 0.000 0.000 0.195 26 R C 0.217 176.330 176.300 -0.311 0.000 0.935 26 R CA 0.556 56.288 56.100 -0.614 0.000 1.033 26 R CB 0.497 30.395 30.300 -0.670 0.000 0.964 26 R HN 0.434 nan 8.270 nan 0.000 0.489 27 G N 0.406 109.080 108.800 -0.210 0.000 2.341 27 G HA2 0.120 4.080 3.960 0.000 0.000 0.300 27 G HA3 0.120 4.080 3.960 0.000 0.000 0.300 27 G C -0.998 173.852 174.900 -0.083 0.000 1.706 27 G CA -0.864 44.134 45.100 -0.170 0.000 0.916 27 G HN 0.242 nan 8.290 nan 0.000 0.716 28 Y N -0.593 119.733 120.300 0.042 0.000 2.715 28 Y HA 0.456 5.006 4.550 0.000 0.000 0.255 28 Y C 0.713 176.637 175.900 0.039 0.000 1.139 28 Y CA -0.910 57.207 58.100 0.028 0.000 1.151 28 Y CB 0.298 38.779 38.460 0.034 0.000 1.201 28 Y HN 0.331 nan 8.280 nan 0.000 0.556 29 D N 1.226 121.622 120.400 -0.007 0.000 2.162 29 D HA 0.010 4.650 4.640 0.000 0.000 0.203 29 D C 0.750 177.078 176.300 0.047 0.000 0.967 29 D CA 1.730 55.738 54.000 0.014 0.000 0.840 29 D CB 0.386 41.139 40.800 -0.078 0.000 0.972 29 D HN 0.459 nan 8.370 nan 0.000 0.482 30 S N -1.414 114.308 115.700 0.037 0.000 2.636 30 S HA 0.723 5.193 4.470 0.000 0.000 0.268 30 S C -1.580 173.049 174.600 0.049 0.000 1.159 30 S CA -0.635 57.595 58.200 0.049 0.000 0.815 30 S CB 2.269 65.498 63.200 0.048 0.000 1.130 30 S HN 0.181 nan 8.310 nan 0.000 0.471 31 A N -0.303 122.553 122.820 0.060 0.000 2.604 31 A HA 0.979 5.299 4.320 0.000 0.000 0.295 31 A C -0.179 177.448 177.584 0.072 0.000 1.067 31 A CA -0.294 51.783 52.037 0.067 0.000 0.683 31 A CB 0.992 20.016 19.000 0.040 0.000 1.281 31 A HN 2.162 nan 8.150 nan 0.000 0.407 32 G N -0.531 108.325 108.800 0.093 0.000 2.684 32 G HA2 0.825 4.785 3.960 0.000 0.000 0.290 32 G HA3 0.825 4.785 3.960 0.000 0.000 0.290 32 G C -1.225 173.717 174.900 0.070 0.000 1.425 32 G CA -0.010 45.127 45.100 0.062 0.000 0.822 32 G HN 1.979 nan 8.290 nan 0.000 0.482 33 L N -1.864 119.386 121.223 0.045 0.000 2.465 33 L HA 0.993 5.333 4.340 0.000 0.000 0.257 33 L C -0.788 176.101 176.870 0.031 0.000 0.988 33 L CA -1.216 53.654 54.840 0.049 0.000 0.827 33 L CB 2.193 44.281 42.059 0.049 0.000 1.397 33 L HN 1.102 nan 8.230 nan 0.000 0.410 34 A N 2.359 125.200 122.820 0.035 0.000 2.359 34 A HA 0.795 5.115 4.320 0.000 0.000 0.303 34 A C -0.688 176.918 177.584 0.037 0.000 1.066 34 A CA -0.259 51.794 52.037 0.026 0.000 0.730 34 A CB 1.710 20.719 19.000 0.015 0.000 1.211 34 A HN 1.446 nan 8.150 nan 0.000 0.439 35 V N 0.444 120.380 119.914 0.038 0.000 2.815 35 V HA 0.947 5.067 4.120 0.000 0.000 0.314 35 V C -0.622 175.503 176.094 0.051 0.000 1.064 35 V CA -0.742 61.587 62.300 0.047 0.000 0.952 35 V CB 1.574 33.428 31.823 0.052 0.000 1.020 35 V HN 0.778 nan 8.190 nan 0.000 0.439 36 V N 3.039 122.984 119.914 0.052 0.000 2.709 36 V HA 0.537 4.657 4.120 0.000 0.000 0.308 36 V C -0.602 175.519 176.094 0.045 0.000 1.062 36 V CA -0.450 61.880 62.300 0.051 0.000 0.901 36 V CB 1.650 33.494 31.823 0.034 0.000 1.003 36 V HN 1.212 nan 8.190 nan 0.000 0.425 37 D N 3.369 123.795 120.400 0.043 0.000 2.506 37 D HA 0.520 5.160 4.640 0.000 0.000 0.272 37 D C 1.186 177.464 176.300 -0.036 0.000 1.214 37 D CA -0.064 53.947 54.000 0.018 0.000 1.067 37 D CB 1.154 41.977 40.800 0.038 0.000 1.117 37 D HN 0.544 nan 8.370 nan 0.000 0.578 38 A N -0.768 122.023 122.820 -0.048 0.000 2.125 38 A HA -0.138 4.182 4.320 0.000 0.000 0.219 38 A C 1.714 179.230 177.584 -0.114 0.000 1.156 38 A CA 1.227 53.228 52.037 -0.061 0.000 0.671 38 A CB -0.726 18.247 19.000 -0.046 0.000 0.794 38 A HN 0.486 nan 8.150 nan 0.000 0.459 39 E N -1.404 118.666 120.200 -0.218 0.000 2.479 39 E HA 0.285 4.635 4.350 0.000 0.000 0.193 39 E C 1.171 177.557 176.600 -0.357 0.000 1.049 39 E CA 0.589 56.774 56.400 -0.359 0.000 0.870 39 E CB -0.178 29.112 29.700 -0.683 0.000 0.944 39 E HN 0.690 nan 8.360 nan 0.000 0.492 40 G N 0.551 109.228 108.800 -0.204 0.000 2.141 40 G HA2 -0.292 3.668 3.960 0.000 0.000 0.242 40 G HA3 -0.292 3.668 3.960 0.000 0.000 0.242 40 G C -0.174 174.738 174.900 0.021 0.000 0.982 40 G CA 0.161 45.203 45.100 -0.097 0.000 0.662 40 G HN 0.499 nan 8.290 nan 0.000 0.527 41 H N -0.176 118.895 119.070 0.001 0.000 2.604 41 H HA 0.536 5.092 4.556 0.000 0.000 0.306 41 H C 0.481 175.818 175.328 0.015 0.000 1.075 41 H CA -0.410 55.643 56.048 0.009 0.000 1.357 41 H CB 1.034 30.806 29.762 0.017 0.000 1.426 41 H HN 0.231 nan 8.280 nan 0.000 0.470 42 M N 2.850 122.530 119.600 0.132 0.000 2.336 42 M HA 0.257 4.737 4.480 0.000 0.000 0.342 42 M C -0.917 175.413 176.300 0.050 0.000 1.128 42 M CA -0.371 54.973 55.300 0.073 0.000 1.016 42 M CB 1.351 33.980 32.600 0.048 0.000 1.665 42 M HN 0.514 nan 8.290 nan 0.000 0.445 43 T N 4.811 119.389 114.554 0.039 0.000 2.815 43 T HA 0.442 4.792 4.350 0.000 0.000 0.289 43 T C -0.706 174.000 174.700 0.010 0.000 1.000 43 T CA -0.576 61.535 62.100 0.019 0.000 0.958 43 T CB 1.274 70.153 68.868 0.018 0.000 0.944 43 T HN 0.672 nan 8.240 nan 0.000 0.442 44 R N 3.015 123.513 120.500 -0.002 0.000 2.393 44 R HA 0.723 5.063 4.340 0.000 0.000 0.310 44 R C -1.569 174.724 176.300 -0.011 0.000 0.968 44 R CA -0.839 55.256 56.100 -0.008 0.000 0.867 44 R CB 0.770 31.058 30.300 -0.020 0.000 1.124 44 R HN 0.412 nan 8.270 nan 0.000 0.450 45 L N 4.134 125.354 121.223 -0.004 0.000 2.409 45 L HA 0.563 4.903 4.340 0.000 0.000 0.272 45 L C -1.240 175.632 176.870 0.003 0.000 0.980 45 L CA -0.243 54.597 54.840 -0.000 0.000 0.826 45 L CB 1.679 43.744 42.059 0.010 0.000 1.268 45 L HN 0.678 nan 8.230 nan 0.000 0.407 46 R N 4.669 125.169 120.500 0.000 0.000 2.725 46 R HA 0.770 5.110 4.340 0.000 0.000 0.277 46 R C -1.220 175.088 176.300 0.014 0.000 0.987 46 R CA -1.133 54.970 56.100 0.005 0.000 0.901 46 R CB 2.439 32.728 30.300 -0.018 0.000 1.207 46 R HN 0.395 nan 8.270 nan 0.000 0.463 47 R N 1.610 122.124 120.500 0.025 0.000 2.584 47 R HA 0.276 4.617 4.340 0.000 0.000 0.276 47 R C -1.222 175.100 176.300 0.036 0.000 1.046 47 R CA -1.182 54.936 56.100 0.029 0.000 0.906 47 R CB 1.954 32.274 30.300 0.034 0.000 1.215 47 R HN 0.447 nan 8.270 nan 0.000 0.449 48 L N 1.857 123.100 121.223 0.035 0.000 2.462 48 L HA 0.497 4.837 4.340 0.000 0.000 0.272 48 L C 0.511 177.411 176.870 0.050 0.000 1.166 48 L CA 1.446 56.309 54.840 0.039 0.000 0.880 48 L CB 0.454 42.532 42.059 0.033 0.000 1.142 48 L HN 0.895 nan 8.230 nan 0.000 0.473 49 G N 3.815 112.654 108.800 0.065 0.000 2.343 49 G HA2 -0.032 3.928 3.960 0.000 0.000 0.465 49 G HA3 -0.032 3.928 3.960 0.000 0.000 0.465 49 G C -1.216 173.745 174.900 0.102 0.000 1.282 49 G CA -0.707 44.443 45.100 0.084 0.000 0.996 49 G HN 0.736 nan 8.290 nan 0.000 0.521 50 K N -0.339 120.125 120.400 0.105 0.000 2.138 50 K HA 0.471 4.791 4.320 0.000 0.000 0.251 50 K C 1.657 178.304 176.600 0.079 0.000 1.015 50 K CA -0.243 56.113 56.287 0.115 0.000 0.917 50 K CB 1.370 33.916 32.500 0.077 0.000 1.021 50 K HN 0.296 nan 8.250 nan 0.000 0.485 51 V N 1.221 121.179 119.914 0.075 0.000 2.370 51 V HA -0.296 3.824 4.120 0.000 0.000 0.252 51 V C 2.473 178.593 176.094 0.044 0.000 1.068 51 V CA 2.058 64.389 62.300 0.052 0.000 1.061 51 V CB -0.682 31.168 31.823 0.045 0.000 0.656 51 V HN 0.760 nan 8.190 nan 0.000 0.455 52 Q N -0.344 119.482 119.800 0.044 0.000 2.124 52 Q HA -0.243 4.097 4.340 0.000 0.000 0.202 52 Q C 1.984 178.006 176.000 0.036 0.000 0.977 52 Q CA 2.286 58.111 55.803 0.038 0.000 0.850 52 Q CB -0.510 28.249 28.738 0.036 0.000 0.901 52 Q HN 0.604 nan 8.270 nan 0.000 0.429 53 M N -0.581 119.043 119.600 0.040 0.000 2.073 53 M HA -0.149 4.331 4.480 0.000 0.000 0.258 53 M C 1.697 178.020 176.300 0.037 0.000 1.070 53 M CA 1.515 56.839 55.300 0.039 0.000 1.103 53 M CB -0.699 31.928 32.600 0.044 0.000 1.321 53 M HN 0.406 nan 8.290 nan 0.000 0.405 54 L N 0.407 121.653 121.223 0.038 0.000 2.012 54 L HA -0.069 4.271 4.340 0.000 0.000 0.210 54 L C 2.405 179.294 176.870 0.032 0.000 1.073 54 L CA 2.372 57.233 54.840 0.035 0.000 0.748 54 L CB -1.436 40.645 42.059 0.037 0.000 0.891 54 L HN 0.400 nan 8.230 nan 0.000 0.431 55 A N -1.229 121.609 122.820 0.030 0.000 1.892 55 A HA -0.329 3.991 4.320 0.000 0.000 0.218 55 A C 2.251 179.848 177.584 0.022 0.000 1.188 55 A CA 2.165 54.217 52.037 0.025 0.000 0.631 55 A CB -0.710 18.305 19.000 0.026 0.000 0.822 55 A HN 0.649 nan 8.150 nan 0.000 0.447 56 Q N -0.986 118.828 119.800 0.024 0.000 2.050 56 Q HA -0.086 4.254 4.340 0.000 0.000 0.202 56 Q C 2.422 178.437 176.000 0.024 0.000 0.980 56 Q CA 1.611 57.426 55.803 0.020 0.000 0.840 56 Q CB -0.380 28.372 28.738 0.023 0.000 0.898 56 Q HN 0.700 nan 8.270 nan 0.000 0.424 57 A N 0.530 123.372 122.820 0.036 0.000 1.933 57 A HA -0.121 4.199 4.320 0.000 0.000 0.218 57 A C 2.205 179.824 177.584 0.058 0.000 1.175 57 A CA 1.582 53.653 52.037 0.057 0.000 0.628 57 A CB -0.771 18.261 19.000 0.054 0.000 0.814 57 A HN 0.426 nan 8.150 nan 0.000 0.444 58 A N -0.335 122.506 122.820 0.035 0.000 1.969 58 A HA -0.130 4.190 4.320 0.000 0.000 0.218 58 A C 2.014 179.597 177.584 -0.002 0.000 1.169 58 A CA 1.646 53.696 52.037 0.021 0.000 0.635 58 A CB -0.444 18.564 19.000 0.013 0.000 0.810 58 A HN 0.698 nan 8.150 nan 0.000 0.445 59 E N 0.625 120.820 120.200 -0.008 0.000 2.150 59 E HA -0.230 4.120 4.350 0.000 0.000 0.193 59 E C 1.901 178.456 176.600 -0.075 0.000 0.985 59 E CA 1.265 57.648 56.400 -0.029 0.000 0.814 59 E CB -0.201 29.490 29.700 -0.016 0.000 0.752 59 E HN 0.857 nan 8.360 nan 0.000 0.466 60 E N -0.674 119.469 120.200 -0.095 0.000 2.208 60 E HA -0.142 4.208 4.350 0.000 0.000 0.193 60 E C 0.156 176.393 176.600 -0.606 0.000 0.988 60 E CA 0.817 57.059 56.400 -0.264 0.000 0.828 60 E CB -0.069 29.523 29.700 -0.180 0.000 0.763 60 E HN 0.331 nan 8.360 nan 0.000 0.478 61 H N 1.146 120.203 119.070 -0.022 0.000 2.808 61 H HA 0.332 4.888 4.556 0.000 0.000 0.268 61 H C -2.548 172.732 175.328 -0.080 0.000 1.306 61 H CA -2.082 53.943 56.048 -0.038 0.000 1.565 61 H CB 1.171 30.916 29.762 -0.028 0.000 1.632 61 H HN 0.089 nan 8.280 nan 0.000 0.525 62 P HA -0.025 nan 4.420 nan 0.000 0.266 62 P C -0.284 176.826 177.300 -0.316 0.000 1.195 62 P CA -0.200 62.791 63.100 -0.181 0.000 0.768 62 P CB 0.858 32.432 31.700 -0.211 0.000 0.838 63 L N 4.490 125.567 121.223 -0.244 0.000 2.282 63 L HA 0.318 4.658 4.340 0.000 0.000 0.288 63 L C 0.444 177.190 176.870 -0.207 0.000 1.033 63 L CA -0.058 54.667 54.840 -0.192 0.000 0.807 63 L CB 0.422 42.448 42.059 -0.054 0.000 1.209 63 L HN 0.395 nan 8.230 nan 0.000 0.423 64 H N 2.228 121.328 119.070 0.051 0.000 2.458 64 H HA 0.864 5.420 4.556 0.000 0.000 0.330 64 H C 0.318 175.674 175.328 0.046 0.000 1.111 64 H CA -0.573 55.504 56.048 0.047 0.000 1.245 64 H CB 1.911 31.701 29.762 0.048 0.000 1.456 64 H HN 0.721 nan 8.280 nan 0.000 0.488 65 G N 0.129 109.031 108.800 0.170 0.000 2.337 65 G HA2 0.212 4.172 3.960 0.000 0.000 0.310 65 G HA3 0.212 4.172 3.960 0.000 0.000 0.310 65 G C 0.289 175.236 174.900 0.078 0.000 1.534 65 G CA -0.214 44.946 45.100 0.101 0.000 0.982 65 G HN 0.697 nan 8.290 nan 0.000 0.672 66 G N -0.998 107.833 108.800 0.052 0.000 3.159 66 G HA2 0.464 4.424 3.960 0.000 0.000 0.232 66 G HA3 0.464 4.424 3.960 0.000 0.000 0.232 66 G C 0.399 175.315 174.900 0.027 0.000 1.116 66 G CA 1.097 46.221 45.100 0.040 0.000 0.767 66 G HN 0.886 nan 8.290 nan 0.000 0.547 67 T N -0.104 114.469 114.554 0.031 0.000 2.861 67 T HA 0.692 5.042 4.350 0.000 0.000 0.287 67 T C -0.204 174.522 174.700 0.043 0.000 1.003 67 T CA -0.056 62.059 62.100 0.026 0.000 0.977 67 T CB 2.152 71.031 68.868 0.018 0.000 0.996 67 T HN 0.430 nan 8.240 nan 0.000 0.448 68 G N 1.620 110.450 108.800 0.050 0.000 2.579 68 G HA2 0.630 4.590 3.960 0.000 0.000 0.292 68 G HA3 0.630 4.590 3.960 0.000 0.000 0.292 68 G C -1.514 173.427 174.900 0.069 0.000 1.484 68 G CA -0.848 44.288 45.100 0.059 0.000 0.813 68 G HN 0.930 nan 8.290 nan 0.000 0.515 69 I N -1.770 118.842 120.570 0.069 0.000 3.108 69 I HA 1.000 5.170 4.170 0.000 0.000 0.312 69 I C -0.120 176.050 176.117 0.090 0.000 1.095 69 I CA -1.464 59.887 61.300 0.085 0.000 1.000 69 I CB 2.268 40.318 38.000 0.083 0.000 1.229 69 I HN 1.104 nan 8.210 nan 0.000 0.454 70 A N 1.747 124.635 122.820 0.113 0.000 2.609 70 A HA 0.773 5.093 4.320 0.000 0.000 0.291 70 A C -1.685 176.013 177.584 0.189 0.000 1.096 70 A CA -0.418 51.691 52.037 0.120 0.000 0.684 70 A CB 1.717 20.767 19.000 0.084 0.000 1.282 70 A HN 1.024 nan 8.150 nan 0.000 0.412 71 H N -0.045 119.038 119.070 0.023 0.000 3.085 71 H HA 0.626 5.182 4.556 0.000 0.000 0.356 71 H C -1.943 173.360 175.328 -0.042 0.000 1.178 71 H CA 0.316 56.358 56.048 -0.009 0.000 1.214 71 H CB 2.204 31.971 29.762 0.008 0.000 1.881 71 H HN 0.802 nan 8.280 nan 0.000 0.538 72 T N 3.409 117.653 114.554 -0.516 0.000 2.841 72 T HA 0.447 4.797 4.350 0.000 0.000 0.283 72 T C -0.823 173.493 174.700 -0.639 0.000 1.000 72 T CA -0.708 61.164 62.100 -0.380 0.000 0.977 72 T CB 0.966 69.726 68.868 -0.179 0.000 0.979 72 T HN 0.635 nan 8.240 nan 0.000 0.446 73 R N 3.080 123.400 120.500 -0.299 0.000 2.514 73 R HA 0.517 4.857 4.340 0.000 0.000 0.301 73 R C -1.727 174.530 176.300 -0.073 0.000 0.962 73 R CA -0.858 55.135 56.100 -0.178 0.000 0.882 73 R CB 1.064 31.368 30.300 0.007 0.000 1.143 73 R HN 0.657 nan 8.270 nan 0.000 0.452 74 W N 4.541 125.709 121.300 -0.221 0.000 2.318 74 W HA 0.513 5.173 4.660 0.000 0.000 0.315 74 W C -0.947 175.503 176.519 -0.115 0.000 1.033 74 W CA -0.713 56.506 57.345 -0.209 0.000 1.275 74 W CB 1.164 30.488 29.460 -0.226 0.000 1.250 74 W HN 0.725 nan 8.180 nan 0.000 0.421 75 A N 4.198 126.628 122.820 -0.650 0.000 2.492 75 A HA 0.338 4.658 4.320 0.000 0.000 0.254 75 A C 1.096 178.210 177.584 -0.784 0.000 1.091 75 A CA 0.854 52.576 52.037 -0.524 0.000 0.768 75 A CB 0.273 19.052 19.000 -0.367 0.000 1.028 75 A HN 0.857 nan 8.150 nan 0.000 0.498 76 T N 0.013 114.310 114.554 -0.429 0.000 3.056 76 T HA 0.185 4.535 4.350 0.000 0.000 0.243 76 T C 0.375 174.877 174.700 -0.330 0.000 0.995 76 T CA 0.662 62.534 62.100 -0.379 0.000 1.091 76 T CB -0.198 68.636 68.868 -0.058 0.000 0.990 76 T HN 0.627 nan 8.240 nan 0.000 0.464 77 H N 1.093 120.054 119.070 -0.182 0.000 2.685 77 H HA 0.630 5.186 4.556 0.000 0.000 0.307 77 H C 0.422 175.676 175.328 -0.124 0.000 1.017 77 H CA 0.191 56.139 56.048 -0.166 0.000 1.237 77 H CB 0.876 30.501 29.762 -0.229 0.000 1.409 77 H HN 0.846 nan 8.280 nan 0.000 0.488 78 G N 2.773 111.529 108.800 -0.073 0.000 3.019 78 G HA2 -0.170 3.790 3.960 0.000 0.000 0.686 78 G HA3 -0.170 3.790 3.960 0.000 0.000 0.686 78 G C -0.155 174.701 174.900 -0.074 0.000 1.056 78 G CA -0.558 44.514 45.100 -0.048 0.000 0.774 78 G HN 0.791 nan 8.290 nan 0.000 0.583 79 E N 2.224 122.382 120.200 -0.070 0.000 2.436 79 E HA 0.369 4.719 4.350 0.000 0.000 0.262 79 E C -2.233 174.335 176.600 -0.054 0.000 1.063 79 E CA -1.074 55.279 56.400 -0.078 0.000 0.944 79 E CB 0.218 29.885 29.700 -0.054 0.000 0.950 79 E HN 0.328 nan 8.360 nan 0.000 0.444 80 P HA -0.009 nan 4.420 nan 0.000 0.264 80 P C -1.069 176.230 177.300 -0.002 0.000 1.193 80 P CA 0.408 63.489 63.100 -0.033 0.000 0.763 80 P CB 0.729 32.406 31.700 -0.039 0.000 0.810 81 S N 0.288 115.999 115.700 0.018 0.000 2.614 81 S HA 0.155 4.625 4.470 0.000 0.000 0.280 81 S C 0.692 175.312 174.600 0.033 0.000 1.111 81 S CA -0.838 57.376 58.200 0.024 0.000 0.847 81 S CB 1.054 64.269 63.200 0.024 0.000 1.079 81 S HN 0.409 nan 8.310 nan 0.000 0.452 82 E N 0.672 120.887 120.200 0.025 0.000 2.077 82 E HA -0.109 4.241 4.350 0.000 0.000 0.193 82 E C 1.638 178.246 176.600 0.013 0.000 0.989 82 E CA 1.727 58.137 56.400 0.017 0.000 0.800 82 E CB -0.203 29.504 29.700 0.011 0.000 0.746 82 E HN 0.531 nan 8.360 nan 0.000 0.452 83 V N 1.994 121.926 119.914 0.029 0.000 2.282 83 V HA -0.293 3.827 4.120 0.000 0.000 0.249 83 V C 1.845 178.001 176.094 0.104 0.000 1.057 83 V CA 2.033 64.362 62.300 0.049 0.000 1.032 83 V CB -0.480 31.376 31.823 0.056 0.000 0.645 83 V HN 0.356 nan 8.190 nan 0.000 0.447 84 N N -0.163 118.612 118.700 0.124 0.000 2.467 84 N HA 0.133 4.873 4.740 0.000 0.000 0.184 84 N C 0.618 176.271 175.510 0.238 0.000 1.106 84 N CA 0.665 53.854 53.050 0.231 0.000 0.892 84 N CB -0.102 38.475 38.487 0.151 0.000 0.969 84 N HN 0.500 nan 8.380 nan 0.000 0.454 85 A N 0.799 123.660 122.820 0.068 0.000 2.445 85 A HA 0.124 4.444 4.320 0.000 0.000 0.242 85 A C 0.103 177.597 177.584 -0.149 0.000 1.075 85 A CA -0.186 51.886 52.037 0.058 0.000 0.777 85 A CB -0.047 18.969 19.000 0.027 0.000 1.013 85 A HN 0.330 nan 8.150 nan 0.000 0.493 86 H N 1.129 119.998 119.070 -0.335 0.000 2.607 86 H HA 0.239 4.795 4.556 0.000 0.000 0.367 86 H C -2.239 172.944 175.328 -0.242 0.000 1.181 86 H CA -1.800 53.966 56.048 -0.470 0.000 1.402 86 H CB 0.178 29.494 29.762 -0.743 0.000 1.474 86 H HN 0.425 nan 8.280 nan 0.000 0.596 87 P HA 0.031 nan 4.420 nan 0.000 0.275 87 P C -0.468 176.654 177.300 -0.297 0.000 1.227 87 P CA 0.283 63.311 63.100 -0.120 0.000 0.781 87 P CB 0.641 32.313 31.700 -0.046 0.000 0.906 88 H N 0.356 119.308 119.070 -0.197 0.000 2.483 88 H HA 0.437 4.993 4.556 0.000 0.000 0.338 88 H C 0.095 175.287 175.328 -0.228 0.000 1.152 88 H CA -0.515 55.394 56.048 -0.232 0.000 1.264 88 H CB 1.638 31.201 29.762 -0.333 0.000 1.510 88 H HN 0.191 nan 8.280 nan 0.000 0.530 89 V N -0.480 119.366 119.914 -0.113 0.000 2.960 89 V HA 0.581 4.701 4.120 0.000 0.000 0.315 89 V C 0.051 175.970 176.094 -0.291 0.000 1.087 89 V CA -0.817 61.383 62.300 -0.167 0.000 0.982 89 V CB 2.116 33.876 31.823 -0.105 0.000 1.039 89 V HN 0.654 nan 8.190 nan 0.000 0.437 90 S N 1.430 116.959 115.700 -0.285 0.000 2.279 90 S HA 0.435 4.905 4.470 0.000 0.000 0.176 90 S C 0.119 174.582 174.600 -0.229 0.000 1.554 90 S CA 0.178 58.231 58.200 -0.245 0.000 1.242 90 S CB -0.665 62.344 63.200 -0.318 0.000 1.163 90 S HN 1.159 nan 8.310 nan 0.000 0.449 91 E N 1.969 122.095 120.200 -0.123 0.000 3.287 91 E HA -0.348 4.002 4.350 0.000 0.000 0.405 91 E C 0.417 176.935 176.600 -0.138 0.000 1.541 91 E CA 1.948 58.291 56.400 -0.095 0.000 1.405 91 E CB -1.222 28.464 29.700 -0.022 0.000 1.576 91 E HN 0.899 nan 8.360 nan 0.000 0.474 92 H N 1.041 120.114 119.070 0.006 0.000 2.546 92 H HA 0.111 4.667 4.556 0.000 0.000 0.277 92 H C 0.965 176.285 175.328 -0.014 0.000 1.004 92 H CA 0.605 56.646 56.048 -0.011 0.000 1.231 92 H CB -0.081 29.668 29.762 -0.022 0.000 1.382 92 H HN 0.122 nan 8.280 nan 0.000 0.580 93 I N 2.949 123.343 120.570 -0.293 0.000 2.395 93 I HA 0.123 4.293 4.170 0.000 0.000 0.289 93 I C 0.078 176.123 176.117 -0.121 0.000 1.023 93 I CA -0.617 60.595 61.300 -0.146 0.000 1.350 93 I CB 1.504 39.388 38.000 -0.194 0.000 1.409 93 I HN -0.102 nan 8.210 nan 0.000 0.507 94 V N 6.988 126.864 119.914 -0.063 0.000 2.709 94 V HA 0.626 4.746 4.120 0.000 0.000 0.308 94 V C -0.234 175.834 176.094 -0.042 0.000 1.062 94 V CA -0.703 61.563 62.300 -0.057 0.000 0.901 94 V CB 2.610 34.419 31.823 -0.023 0.000 1.003 94 V HN 0.438 nan 8.190 nan 0.000 0.425 95 V N 4.210 124.093 119.914 -0.052 0.000 2.733 95 V HA 0.660 4.780 4.120 0.000 0.000 0.306 95 V C -0.538 175.558 176.094 0.003 0.000 1.084 95 V CA -0.642 61.639 62.300 -0.032 0.000 0.905 95 V CB 2.357 34.127 31.823 -0.090 0.000 1.010 95 V HN 0.854 nan 8.190 nan 0.000 0.424 96 V N 0.928 120.896 119.914 0.091 0.000 2.715 96 V HA 0.744 4.864 4.120 0.000 0.000 0.310 96 V C -0.664 175.630 176.094 0.333 0.000 1.054 96 V CA -0.448 61.972 62.300 0.200 0.000 0.928 96 V CB 1.898 33.862 31.823 0.236 0.000 1.007 96 V HN 1.058 nan 8.190 nan 0.000 0.437 97 H N 3.373 122.657 119.070 0.356 0.000 2.877 97 H HA 0.424 4.980 4.556 0.000 0.000 0.347 97 H C -1.546 174.006 175.328 0.374 0.000 1.042 97 H CA -0.488 55.741 56.048 0.303 0.000 1.276 97 H CB 2.144 32.022 29.762 0.193 0.000 1.681 97 H HN 0.995 nan 8.280 nan 0.000 0.521 98 N N 4.162 122.845 118.700 -0.028 0.000 2.476 98 N HA 0.492 5.232 4.740 0.000 0.000 0.257 98 N C -0.512 174.809 175.510 -0.314 0.000 0.970 98 N CA 0.173 53.141 53.050 -0.137 0.000 0.938 98 N CB 1.354 39.834 38.487 -0.012 0.000 1.144 98 N HN 0.930 nan 8.380 nan 0.000 0.500 99 G N 2.402 110.932 108.800 -0.450 0.000 2.356 99 G HA2 0.168 4.128 3.960 0.000 0.000 0.266 99 G HA3 0.168 4.128 3.960 0.000 0.000 0.266 99 G C -1.806 173.072 174.900 -0.036 0.000 1.312 99 G CA -0.769 44.232 45.100 -0.166 0.000 0.922 99 G HN 0.454 nan 8.290 nan 0.000 0.480 100 I N 0.705 121.399 120.570 0.207 0.000 2.610 100 I HA 0.316 4.486 4.170 0.000 0.000 0.289 100 I C -0.721 175.522 176.117 0.210 0.000 1.163 100 I CA -0.794 60.630 61.300 0.207 0.000 1.044 100 I CB 2.107 40.194 38.000 0.145 0.000 1.251 100 I HN 0.280 nan 8.210 nan 0.000 0.424 101 I N 5.933 126.578 120.570 0.126 0.000 2.278 101 I HA 0.128 4.298 4.170 0.000 0.000 0.296 101 I C 1.357 177.529 176.117 0.092 0.000 1.121 101 I CA 0.259 61.609 61.300 0.083 0.000 1.267 101 I CB 0.069 38.063 38.000 -0.010 0.000 1.447 101 I HN 0.719 nan 8.210 nan 0.000 0.509 102 E N 3.827 124.092 120.200 0.109 0.000 2.265 102 E HA -0.185 4.165 4.350 0.000 0.000 0.196 102 E C 0.756 177.393 176.600 0.062 0.000 0.996 102 E CA 0.923 57.392 56.400 0.115 0.000 0.832 102 E CB 0.069 29.818 29.700 0.081 0.000 0.756 102 E HN 0.648 nan 8.360 nan 0.000 0.491 103 N N 0.736 119.445 118.700 0.015 0.000 2.321 103 N HA -0.072 4.668 4.740 0.000 0.000 0.242 103 N C 1.157 176.593 175.510 -0.125 0.000 1.141 103 N CA 0.024 53.028 53.050 -0.078 0.000 0.864 103 N CB -0.482 37.977 38.487 -0.047 0.000 1.100 103 N HN 0.329 nan 8.380 nan 0.000 0.510 104 H N -0.109 118.904 119.070 -0.095 0.000 2.426 104 H HA -0.081 4.475 4.556 0.000 0.000 0.298 104 H C 0.662 175.904 175.328 -0.143 0.000 1.107 104 H CA 1.303 57.273 56.048 -0.129 0.000 1.298 104 H CB -0.024 29.637 29.762 -0.168 0.000 1.377 104 H HN 0.335 nan 8.280 nan 0.000 0.519 105 E N 1.331 121.089 120.200 -0.738 0.000 2.007 105 E HA -0.081 4.269 4.350 0.000 0.000 0.194 105 E C -0.305 176.129 176.600 -0.276 0.000 0.999 105 E CA 1.229 57.340 56.400 -0.483 0.000 0.811 105 E CB -0.578 28.862 29.700 -0.433 0.000 0.762 105 E HN 0.464 nan 8.360 nan 0.000 0.450 106 P HA -0.194 nan 4.420 nan 0.000 0.214 106 P C 1.364 178.573 177.300 -0.153 0.000 1.163 106 P CA 1.270 64.276 63.100 -0.157 0.000 0.889 106 P CB -0.065 31.560 31.700 -0.125 0.000 0.790 107 L N -0.996 120.143 121.223 -0.141 0.000 1.990 107 L HA -0.226 4.114 4.340 0.000 0.000 0.213 107 L C 2.876 179.667 176.870 -0.132 0.000 1.072 107 L CA 1.765 56.537 54.840 -0.114 0.000 0.755 107 L CB -0.783 41.230 42.059 -0.076 0.000 0.889 107 L HN -0.099 nan 8.230 nan 0.000 0.432 108 R N -0.001 120.368 120.500 -0.219 0.000 2.096 108 R HA -0.208 4.132 4.340 0.000 0.000 0.240 108 R C 2.263 178.349 176.300 -0.356 0.000 1.139 108 R CA 1.768 57.579 56.100 -0.481 0.000 0.952 108 R CB -0.089 29.779 30.300 -0.719 0.000 0.854 108 R HN 0.329 nan 8.270 nan 0.000 0.436 109 E N 0.205 120.256 120.200 -0.248 0.000 2.150 109 E HA -0.203 4.147 4.350 0.000 0.000 0.193 109 E C 1.744 178.271 176.600 -0.122 0.000 0.985 109 E CA 0.958 57.255 56.400 -0.171 0.000 0.814 109 E CB -0.130 29.484 29.700 -0.143 0.000 0.752 109 E HN 0.516 nan 8.360 nan 0.000 0.466 110 E N 0.527 120.650 120.200 -0.127 0.000 2.072 110 E HA -0.112 4.238 4.350 0.000 0.000 0.191 110 E C 2.224 178.743 176.600 -0.135 0.000 0.985 110 E CA 0.486 56.805 56.400 -0.135 0.000 0.801 110 E CB 0.039 29.650 29.700 -0.148 0.000 0.750 110 E HN 0.171 nan 8.360 nan 0.000 0.452 111 L N 0.606 121.790 121.223 -0.066 0.000 2.141 111 L HA -0.135 4.205 4.340 0.000 0.000 0.209 111 L C 2.545 179.531 176.870 0.192 0.000 1.094 111 L CA 1.004 55.877 54.840 0.056 0.000 0.763 111 L CB -0.238 41.894 42.059 0.121 0.000 0.908 111 L HN 0.002 nan 8.230 nan 0.000 0.437 112 K N 0.193 120.676 120.400 0.139 0.000 2.147 112 K HA -0.117 4.203 4.320 0.000 0.000 0.205 112 K C 2.108 178.720 176.600 0.020 0.000 1.049 112 K CA 1.260 57.612 56.287 0.109 0.000 0.936 112 K CB -0.158 32.358 32.500 0.026 0.000 0.722 112 K HN 0.302 nan 8.250 nan 0.000 0.446 113 A N 0.936 123.739 122.820 -0.029 0.000 2.119 113 A HA -0.046 4.274 4.320 0.000 0.000 0.216 113 A C 1.666 179.205 177.584 -0.075 0.000 1.152 113 A CA 0.708 52.710 52.037 -0.057 0.000 0.708 113 A CB -0.050 18.904 19.000 -0.077 0.000 0.805 113 A HN 0.167 nan 8.150 nan 0.000 0.460 114 R N -1.455 118.987 120.500 -0.096 0.000 2.317 114 R HA 0.248 4.588 4.340 0.000 0.000 0.208 114 R C 1.205 177.420 176.300 -0.141 0.000 0.914 114 R CA 0.585 56.609 56.100 -0.126 0.000 1.060 114 R CB 0.193 30.305 30.300 -0.314 0.000 1.015 114 R HN 0.598 nan 8.270 nan 0.000 0.498 115 G N -0.356 108.368 108.800 -0.126 0.000 2.253 115 G HA2 -0.260 3.700 3.960 0.000 0.000 0.209 115 G HA3 -0.260 3.700 3.960 0.000 0.000 0.209 115 G C -0.205 174.548 174.900 -0.244 0.000 0.997 115 G CA -0.631 44.350 45.100 -0.198 0.000 0.640 115 G HN 0.195 nan 8.290 nan 0.000 0.496 116 Y N 1.926 122.155 120.300 -0.118 0.000 2.397 116 Y HA 0.508 5.058 4.550 0.000 0.000 0.335 116 Y C 1.150 176.903 175.900 -0.246 0.000 1.213 116 Y CA 0.781 58.700 58.100 -0.301 0.000 1.391 116 Y CB 0.949 39.059 38.460 -0.582 0.000 1.293 116 Y HN 0.002 nan 8.280 nan 0.000 0.557 117 T N 4.622 119.090 114.554 -0.143 0.000 2.771 117 T HA 0.396 4.746 4.350 0.000 0.000 0.281 117 T C -0.909 173.727 174.700 -0.108 0.000 0.982 117 T CA -0.582 61.503 62.100 -0.026 0.000 0.978 117 T CB -0.007 68.861 68.868 -0.000 0.000 0.930 117 T HN 0.176 nan 8.240 nan 0.000 0.447 118 F N 2.796 122.747 119.950 0.001 0.000 2.411 118 F HA 0.321 4.848 4.527 0.000 0.000 0.350 118 F C 1.316 177.155 175.800 0.064 0.000 1.114 118 F CA -0.887 57.154 58.000 0.069 0.000 1.135 118 F CB 1.169 40.187 39.000 0.029 0.000 1.120 118 F HN 0.393 nan 8.300 nan 0.000 0.495 119 V N -0.652 119.355 119.914 0.154 0.000 3.661 119 V HA 0.230 4.350 4.120 0.000 0.000 0.271 119 V C 0.514 176.679 176.094 0.118 0.000 1.315 119 V CA 0.507 62.876 62.300 0.115 0.000 1.072 119 V CB -0.309 31.564 31.823 0.083 0.000 0.830 119 V HN 0.588 nan 8.190 nan 0.000 0.443 120 S N 0.067 115.846 115.700 0.132 0.000 2.726 120 S HA 0.527 4.997 4.470 0.000 0.000 0.308 120 S C 0.176 174.829 174.600 0.089 0.000 1.115 120 S CA -0.326 57.937 58.200 0.105 0.000 0.965 120 S CB 1.980 65.240 63.200 0.100 0.000 1.145 120 S HN 0.335 nan 8.310 nan 0.000 0.532 121 E N 0.680 120.911 120.200 0.052 0.000 2.476 121 E HA 0.140 4.490 4.350 0.000 0.000 0.196 121 E C 0.147 176.744 176.600 -0.006 0.000 1.029 121 E CA -0.026 56.392 56.400 0.030 0.000 0.896 121 E CB 0.361 30.073 29.700 0.020 0.000 1.012 121 E HN 0.807 nan 8.360 nan 0.000 0.475 122 T N -0.638 113.881 114.554 -0.057 0.000 2.904 122 T HA -0.005 4.345 4.350 0.000 0.000 0.290 122 T C 1.047 175.636 174.700 -0.185 0.000 1.018 122 T CA -0.578 61.456 62.100 -0.111 0.000 1.075 122 T CB 1.319 70.069 68.868 -0.196 0.000 0.986 122 T HN -0.007 nan 8.240 nan 0.000 0.523 123 D N 1.426 121.650 120.400 -0.294 0.000 2.149 123 D HA -0.126 4.514 4.640 0.000 0.000 0.201 123 D C 1.704 177.884 176.300 -0.200 0.000 0.972 123 D CA 1.126 54.908 54.000 -0.362 0.000 0.835 123 D CB -1.284 39.096 40.800 -0.699 0.000 0.966 123 D HN 0.593 nan 8.370 nan 0.000 0.476 124 T N 1.047 115.494 114.554 -0.179 0.000 2.721 124 T HA -0.251 4.099 4.350 0.000 0.000 0.268 124 T C 1.679 176.166 174.700 -0.355 0.000 1.038 124 T CA 1.843 63.795 62.100 -0.246 0.000 1.145 124 T CB -0.373 68.328 68.868 -0.280 0.000 0.858 124 T HN 0.434 nan 8.240 nan 0.000 0.459 125 E N 0.750 120.703 120.200 -0.413 0.000 2.204 125 E HA -0.134 4.216 4.350 0.000 0.000 0.195 125 E C 2.322 178.817 176.600 -0.175 0.000 0.990 125 E CA 1.205 57.371 56.400 -0.389 0.000 0.821 125 E CB -0.133 29.367 29.700 -0.333 0.000 0.750 125 E HN 0.524 nan 8.360 nan 0.000 0.477 126 V N -0.686 119.267 119.914 0.065 0.000 2.490 126 V HA -0.230 3.890 4.120 0.000 0.000 0.250 126 V C 2.083 178.128 176.094 -0.082 0.000 1.061 126 V CA 1.499 63.887 62.300 0.146 0.000 1.064 126 V CB -0.597 31.306 31.823 0.134 0.000 0.670 126 V HN 0.248 nan 8.190 nan 0.000 0.461 127 I N 1.324 121.779 120.570 -0.192 0.000 2.163 127 I HA -0.198 3.972 4.170 0.000 0.000 0.243 127 I C 3.020 178.997 176.117 -0.232 0.000 1.085 127 I CA 1.855 63.016 61.300 -0.232 0.000 1.347 127 I CB -0.820 36.997 38.000 -0.305 0.000 1.044 127 I HN 0.416 nan 8.210 nan 0.000 0.408 128 A N 0.230 122.866 122.820 -0.306 0.000 1.877 128 A HA -0.239 4.081 4.320 0.000 0.000 0.216 128 A C 2.221 179.578 177.584 -0.377 0.000 1.186 128 A CA 1.667 53.493 52.037 -0.352 0.000 0.620 128 A CB -0.889 17.830 19.000 -0.467 0.000 0.822 128 A HN 0.419 nan 8.150 nan 0.000 0.443 129 H N -1.249 117.600 119.070 -0.368 0.000 2.389 129 H HA -0.053 4.503 4.556 0.000 0.000 0.299 129 H C 2.068 177.105 175.328 -0.484 0.000 1.081 129 H CA 1.586 57.267 56.048 -0.611 0.000 1.345 129 H CB -0.516 28.733 29.762 -0.854 0.000 1.393 129 H HN 0.398 nan 8.280 nan 0.000 0.520 130 L N 0.591 121.719 121.223 -0.158 0.000 2.017 130 L HA -0.121 4.219 4.340 0.000 0.000 0.208 130 L C 2.402 179.283 176.870 0.019 0.000 1.073 130 L CA 1.179 55.980 54.840 -0.063 0.000 0.745 130 L CB -0.832 41.188 42.059 -0.065 0.000 0.894 130 L HN -0.035 nan 8.230 nan 0.000 0.432 131 V N 0.650 120.538 119.914 -0.044 0.000 2.490 131 V HA -0.291 3.829 4.120 0.000 0.000 0.250 131 V C 2.542 178.654 176.094 0.030 0.000 1.061 131 V CA 1.840 64.131 62.300 -0.015 0.000 1.064 131 V CB -1.041 30.747 31.823 -0.059 0.000 0.670 131 V HN 0.659 nan 8.190 nan 0.000 0.461 132 N N -0.374 118.331 118.700 0.008 0.000 2.142 132 N HA -0.235 4.505 4.740 0.000 0.000 0.186 132 N C 1.977 177.620 175.510 0.221 0.000 1.023 132 N CA 1.900 55.000 53.050 0.083 0.000 0.852 132 N CB -0.245 38.270 38.487 0.047 0.000 0.998 132 N HN 0.745 nan 8.380 nan 0.000 0.424 133 W N 1.923 123.258 121.300 0.059 0.000 2.388 133 W HA -0.062 4.598 4.660 0.000 0.000 0.294 133 W C 1.360 177.933 176.519 0.089 0.000 1.212 133 W CA 0.883 58.327 57.345 0.165 0.000 1.271 133 W CB -0.119 29.440 29.460 0.166 0.000 1.126 133 W HN 0.058 nan 8.180 nan 0.000 0.535 134 E N 0.990 121.259 120.200 0.114 0.000 2.110 134 E HA -0.180 4.170 4.350 0.000 0.000 0.193 134 E C 2.352 178.898 176.600 -0.090 0.000 0.988 134 E CA 1.037 57.428 56.400 -0.014 0.000 0.804 134 E CB -0.794 28.949 29.700 0.070 0.000 0.745 134 E HN 0.390 nan 8.360 nan 0.000 0.458 135 L N 0.704 121.912 121.223 -0.025 0.000 2.093 135 L HA -0.156 4.185 4.340 0.000 0.000 0.208 135 L C 2.368 179.201 176.870 -0.061 0.000 1.085 135 L CA 1.015 55.847 54.840 -0.014 0.000 0.755 135 L CB -0.157 41.945 42.059 0.072 0.000 0.904 135 L HN 0.100 nan 8.230 nan 0.000 0.435 136 K N -0.351 119.993 120.400 -0.094 0.000 2.089 136 K HA -0.251 4.069 4.320 0.000 0.000 0.210 136 K C 1.856 178.329 176.600 -0.211 0.000 1.048 136 K CA 1.408 57.604 56.287 -0.152 0.000 0.926 136 K CB -0.100 32.257 32.500 -0.237 0.000 0.714 136 K HN 0.379 nan 8.250 nan 0.000 0.448 137 Q N -0.218 119.406 119.800 -0.294 0.000 2.508 137 Q HA 0.001 4.341 4.340 0.000 0.000 0.214 137 Q C 0.976 176.891 176.000 -0.142 0.000 0.979 137 Q CA 1.034 56.687 55.803 -0.250 0.000 0.911 137 Q CB 0.071 28.649 28.738 -0.266 0.000 0.969 137 Q HN 0.462 nan 8.270 nan 0.000 0.504 138 G N -1.141 107.592 108.800 -0.111 0.000 2.541 138 G HA2 0.312 4.272 3.960 0.000 0.000 0.686 138 G HA3 0.312 4.272 3.960 0.000 0.000 0.686 138 G C -0.064 174.796 174.900 -0.066 0.000 1.286 138 G CA -0.409 44.644 45.100 -0.077 0.000 0.894 138 G HN 0.770 nan 8.290 nan 0.000 0.575 139 G N -1.965 106.800 108.800 -0.059 0.000 2.631 139 G HA2 0.502 4.462 3.960 0.000 0.000 0.504 139 G HA3 0.502 4.462 3.960 0.000 0.000 0.504 139 G C 0.423 175.285 174.900 -0.062 0.000 1.306 139 G CA 0.690 45.754 45.100 -0.060 0.000 0.897 139 G HN 2.896 nan 8.290 nan 0.000 0.520 140 T N -1.809 112.702 114.554 -0.071 0.000 2.862 140 T HA 0.571 4.921 4.350 0.000 0.000 0.276 140 T C 1.704 176.369 174.700 -0.058 0.000 0.974 140 T CA 0.395 62.448 62.100 -0.078 0.000 0.966 140 T CB 1.422 70.237 68.868 -0.087 0.000 1.072 140 T HN 1.647 nan 8.240 nan 0.000 0.538 141 L N 0.553 121.749 121.223 -0.045 0.000 2.012 141 L HA 0.031 4.371 4.340 0.000 0.000 0.210 141 L C 2.914 179.762 176.870 -0.038 0.000 1.073 141 L CA 1.863 56.694 54.840 -0.015 0.000 0.748 141 L CB -1.047 41.022 42.059 0.017 0.000 0.891 141 L HN 0.865 nan 8.230 nan 0.000 0.431 142 R N -0.335 120.128 120.500 -0.062 0.000 2.083 142 R HA -0.216 4.124 4.340 0.000 0.000 0.237 142 R C 2.120 178.342 176.300 -0.131 0.000 1.137 142 R CA 2.126 58.163 56.100 -0.106 0.000 0.951 142 R CB -0.277 29.926 30.300 -0.161 0.000 0.851 142 R HN 0.560 nan 8.270 nan 0.000 0.434 143 E N -0.238 119.890 120.200 -0.121 0.000 2.153 143 E HA -0.172 4.178 4.350 0.000 0.000 0.194 143 E C 1.934 178.491 176.600 -0.070 0.000 0.988 143 E CA 1.092 57.428 56.400 -0.107 0.000 0.811 143 E CB -0.093 29.552 29.700 -0.091 0.000 0.746 143 E HN 0.482 nan 8.360 nan 0.000 0.466 144 A N 0.925 123.714 122.820 -0.052 0.000 1.873 144 A HA -0.123 4.198 4.320 0.000 0.000 0.215 144 A C 2.506 180.071 177.584 -0.030 0.000 1.186 144 A CA 1.053 53.072 52.037 -0.029 0.000 0.616 144 A CB -0.622 18.371 19.000 -0.012 0.000 0.823 144 A HN 0.116 nan 8.150 nan 0.000 0.442 145 V N 0.175 120.065 119.914 -0.041 0.000 2.343 145 V HA -0.239 3.881 4.120 0.000 0.000 0.247 145 V C 2.535 178.598 176.094 -0.052 0.000 1.051 145 V CA 1.858 64.129 62.300 -0.048 0.000 1.036 145 V CB -0.752 31.049 31.823 -0.038 0.000 0.654 145 V HN 0.566 nan 8.190 nan 0.000 0.451 146 L N -0.634 120.553 121.223 -0.059 0.000 2.187 146 L HA -0.200 4.140 4.340 0.000 0.000 0.213 146 L C 2.655 179.506 176.870 -0.032 0.000 1.100 146 L CA 1.598 56.406 54.840 -0.053 0.000 0.765 146 L CB -0.443 41.560 42.059 -0.093 0.000 0.904 146 L HN 0.260 nan 8.230 nan 0.000 0.437 147 R N -1.169 119.315 120.500 -0.027 0.000 2.223 147 R HA 0.088 4.428 4.340 0.000 0.000 0.198 147 R C 2.268 178.568 176.300 0.001 0.000 0.984 147 R CA 0.726 56.824 56.100 -0.004 0.000 1.018 147 R CB 0.010 30.316 30.300 0.010 0.000 0.945 147 R HN 0.294 nan 8.270 nan 0.000 0.479 148 A N 1.501 124.309 122.820 -0.021 0.000 1.855 148 A HA -0.060 4.260 4.320 0.000 0.000 0.213 148 A C 1.920 179.452 177.584 -0.087 0.000 1.195 148 A CA 0.641 52.654 52.037 -0.041 0.000 0.610 148 A CB -0.212 18.753 19.000 -0.058 0.000 0.837 148 A HN 0.011 nan 8.150 nan 0.000 0.444 149 I N 0.620 121.118 120.570 -0.120 0.000 2.113 149 I HA -0.223 3.947 4.170 0.000 0.000 0.242 149 I C -0.486 175.592 176.117 -0.064 0.000 1.057 149 I CA 1.881 63.077 61.300 -0.173 0.000 1.314 149 I CB -2.489 35.458 38.000 -0.088 0.000 1.022 149 I HN 0.175 nan 8.210 nan 0.000 0.408 150 P HA -0.174 nan 4.420 nan 0.000 0.220 150 P C 1.549 178.859 177.300 0.017 0.000 1.144 150 P CA 1.401 64.518 63.100 0.028 0.000 0.800 150 P CB -0.117 31.598 31.700 0.025 0.000 0.772 151 Q N -1.554 118.238 119.800 -0.012 0.000 2.398 151 Q HA 0.106 4.446 4.340 0.000 0.000 0.204 151 Q C 0.576 176.564 176.000 -0.020 0.000 0.932 151 Q CA 0.036 55.830 55.803 -0.015 0.000 0.916 151 Q CB -0.014 28.710 28.738 -0.023 0.000 1.024 151 Q HN 0.305 nan 8.270 nan 0.000 0.504 152 L N 1.040 122.242 121.223 -0.036 0.000 2.395 152 L HA 0.345 4.685 4.340 0.000 0.000 0.269 152 L C 0.093 177.020 176.870 0.096 0.000 1.133 152 L CA -0.201 54.629 54.840 -0.016 0.000 0.812 152 L CB 0.676 42.645 42.059 -0.150 0.000 1.125 152 L HN -0.004 nan 8.230 nan 0.000 0.452 153 R N 0.664 121.228 120.500 0.107 0.000 2.686 153 R HA 0.664 5.004 4.340 0.000 0.000 0.283 153 R C -0.145 176.248 176.300 0.155 0.000 0.978 153 R CA 0.416 56.591 56.100 0.124 0.000 0.897 153 R CB 1.960 32.298 30.300 0.063 0.000 1.192 153 R HN 0.845 nan 8.270 nan 0.000 0.457 154 G N 1.558 110.449 108.800 0.152 0.000 2.445 154 G HA2 0.071 4.031 3.960 0.000 0.000 0.212 154 G HA3 0.071 4.031 3.960 0.000 0.000 0.212 154 G C -1.262 173.709 174.900 0.119 0.000 1.217 154 G CA -0.362 44.819 45.100 0.135 0.000 1.002 154 G HN 0.871 nan 8.290 nan 0.000 0.574 155 A N -0.385 122.512 122.820 0.128 0.000 2.320 155 A HA 1.000 5.320 4.320 0.000 0.000 0.334 155 A C -0.701 177.026 177.584 0.238 0.000 1.147 155 A CA 0.218 52.263 52.037 0.014 0.000 0.820 155 A CB 1.127 20.145 19.000 0.029 0.000 1.218 155 A HN 2.156 nan 8.150 nan 0.000 0.482 156 Y N -1.333 119.099 120.300 0.219 0.000 2.399 156 Y HA 0.633 5.183 4.550 0.000 0.000 0.327 156 Y C -0.025 176.002 175.900 0.212 0.000 1.111 156 Y CA -0.941 57.356 58.100 0.329 0.000 1.047 156 Y CB 1.010 39.606 38.460 0.226 0.000 1.259 156 Y HN 0.805 nan 8.280 nan 0.000 0.434 157 G N 1.756 110.756 108.800 0.333 0.000 2.788 157 G HA2 0.480 4.440 3.960 0.000 0.000 0.327 157 G HA3 0.480 4.440 3.960 0.000 0.000 0.327 157 G C -1.190 173.903 174.900 0.321 0.000 1.249 157 G CA -0.646 44.600 45.100 0.243 0.000 1.063 157 G HN 0.746 nan 8.290 nan 0.000 0.497 158 T N 0.529 115.282 114.554 0.333 0.000 2.908 158 T HA 0.657 5.007 4.350 0.000 0.000 0.290 158 T C -0.878 173.929 174.700 0.178 0.000 1.034 158 T CA -0.384 61.878 62.100 0.270 0.000 1.010 158 T CB 1.826 70.831 68.868 0.228 0.000 1.068 158 T HN 0.282 nan 8.240 nan 0.000 0.481 159 V N 5.159 125.160 119.914 0.146 0.000 2.525 159 V HA 0.569 4.689 4.120 0.000 0.000 0.299 159 V C -0.519 175.620 176.094 0.075 0.000 1.034 159 V CA -0.725 61.640 62.300 0.108 0.000 0.863 159 V CB 1.405 33.295 31.823 0.110 0.000 0.999 159 V HN 0.797 nan 8.190 nan 0.000 0.423 160 I N 5.250 125.851 120.570 0.053 0.000 2.603 160 I HA 0.694 4.864 4.170 0.000 0.000 0.300 160 I C -0.333 175.804 176.117 0.033 0.000 1.017 160 I CA -0.584 60.732 61.300 0.026 0.000 1.098 160 I CB 2.069 40.071 38.000 0.004 0.000 1.279 160 I HN 0.659 nan 8.210 nan 0.000 0.437 161 M N 4.767 124.384 119.600 0.028 0.000 2.484 161 M HA 0.455 4.935 4.480 0.000 0.000 0.289 161 M C -2.306 174.027 176.300 0.056 0.000 1.206 161 M CA -0.508 54.818 55.300 0.043 0.000 0.892 161 M CB 2.597 35.221 32.600 0.039 0.000 1.712 161 M HN 0.474 nan 8.290 nan 0.000 0.462 162 D N 1.914 122.367 120.400 0.088 0.000 2.440 162 D HA 0.277 4.917 4.640 0.000 0.000 0.239 162 D C 0.680 177.022 176.300 0.069 0.000 1.084 162 D CA -0.057 54.017 54.000 0.125 0.000 0.843 162 D CB 1.708 42.624 40.800 0.193 0.000 1.097 162 D HN 0.733 nan 8.370 nan 0.000 0.531 163 S N 3.775 119.509 115.700 0.057 0.000 2.500 163 S HA -0.158 4.312 4.470 0.000 0.000 0.239 163 S C 1.446 176.013 174.600 -0.056 0.000 0.989 163 S CA 0.578 58.790 58.200 0.020 0.000 0.951 163 S CB -0.113 63.112 63.200 0.040 0.000 0.759 163 S HN 0.517 nan 8.310 nan 0.000 0.523 164 R N 0.314 120.715 120.500 -0.166 0.000 2.236 164 R HA 0.127 4.467 4.340 0.000 0.000 0.208 164 R C 0.059 176.014 176.300 -0.576 0.000 1.036 164 R CA 0.790 56.650 56.100 -0.400 0.000 1.001 164 R CB -0.063 29.889 30.300 -0.580 0.000 0.896 164 R HN 0.564 nan 8.270 nan 0.000 0.464 165 H N 0.162 119.229 119.070 -0.005 0.000 2.448 165 H HA 0.162 4.719 4.556 0.000 0.000 0.237 165 H C -1.996 173.330 175.328 -0.004 0.000 1.391 165 H CA -2.304 53.737 56.048 -0.011 0.000 1.477 165 H CB 1.143 30.898 29.762 -0.012 0.000 1.520 165 H HN 0.008 nan 8.280 nan 0.000 0.502 166 P HA -0.053 nan 4.420 nan 0.000 0.239 166 P C 0.390 177.710 177.300 0.033 0.000 1.184 166 P CA 0.596 63.718 63.100 0.036 0.000 0.760 166 P CB 0.437 32.143 31.700 0.010 0.000 0.884 167 D N -0.810 119.617 120.400 0.045 0.000 2.363 167 D HA 0.015 4.655 4.640 0.000 0.000 0.220 167 D C 0.158 176.466 176.300 0.013 0.000 0.994 167 D CA 1.021 55.033 54.000 0.020 0.000 0.890 167 D CB 0.085 40.894 40.800 0.017 0.000 0.906 167 D HN 0.131 nan 8.370 nan 0.000 0.530 168 T N -0.113 114.459 114.554 0.030 0.000 2.912 168 T HA 0.561 4.911 4.350 0.000 0.000 0.299 168 T C -0.682 174.038 174.700 0.033 0.000 1.052 168 T CA -0.670 61.445 62.100 0.025 0.000 0.996 168 T CB 1.989 70.872 68.868 0.025 0.000 1.070 168 T HN -0.163 nan 8.240 nan 0.000 0.465 169 L N 2.652 123.892 121.223 0.028 0.000 2.381 169 L HA 0.604 4.944 4.340 0.000 0.000 0.268 169 L C -1.196 175.701 176.870 0.046 0.000 0.997 169 L CA -1.196 53.666 54.840 0.037 0.000 0.818 169 L CB 1.958 44.036 42.059 0.031 0.000 1.310 169 L HN 0.255 nan 8.230 nan 0.000 0.416 170 L N 2.178 123.431 121.223 0.050 0.000 2.329 170 L HA 0.738 5.078 4.340 0.000 0.000 0.279 170 L C -0.120 176.792 176.870 0.070 0.000 1.014 170 L CA -0.246 54.629 54.840 0.057 0.000 0.814 170 L CB 1.696 43.779 42.059 0.039 0.000 1.257 170 L HN 0.725 nan 8.230 nan 0.000 0.424 171 A N 3.336 126.210 122.820 0.090 0.000 2.355 171 A HA 0.909 5.229 4.320 0.000 0.000 0.317 171 A C -0.785 176.879 177.584 0.133 0.000 1.094 171 A CA -0.424 51.679 52.037 0.110 0.000 0.764 171 A CB 1.699 20.764 19.000 0.109 0.000 1.230 171 A HN 0.788 nan 8.150 nan 0.000 0.448 172 A N 2.048 124.969 122.820 0.167 0.000 2.374 172 A HA 0.782 5.102 4.320 0.000 0.000 0.305 172 A C -0.366 177.406 177.584 0.314 0.000 1.053 172 A CA -0.616 51.558 52.037 0.228 0.000 0.726 172 A CB 1.125 20.246 19.000 0.202 0.000 1.229 172 A HN 0.917 nan 8.150 nan 0.000 0.431 173 R N 1.481 122.132 120.500 0.251 0.000 2.387 173 R HA 0.671 5.011 4.340 0.000 0.000 0.314 173 R C -1.248 175.040 176.300 -0.020 0.000 0.958 173 R CA -0.049 56.136 56.100 0.142 0.000 0.846 173 R CB 1.451 31.812 30.300 0.102 0.000 1.147 173 R HN 0.667 nan 8.270 nan 0.000 0.447 174 S N 2.599 118.083 115.700 -0.360 0.000 2.736 174 S HA 0.519 4.989 4.470 0.000 0.000 0.285 174 S C 0.386 174.784 174.600 -0.338 0.000 1.163 174 S CA 0.485 58.372 58.200 -0.521 0.000 1.025 174 S CB 1.266 63.755 63.200 -1.183 0.000 1.030 174 S HN 1.007 nan 8.310 nan 0.000 0.486 175 G N 4.114 112.822 108.800 -0.152 0.000 5.206 175 G HA2 -0.305 3.655 3.960 0.000 0.000 0.328 175 G HA3 -0.305 3.655 3.960 0.000 0.000 0.328 175 G C 0.352 175.229 174.900 -0.038 0.000 1.382 175 G CA 0.268 45.322 45.100 -0.076 0.000 0.994 175 G HN 1.442 nan 8.290 nan 0.000 0.800 176 S N 4.734 120.415 115.700 -0.032 0.000 2.561 176 S HA 0.388 4.858 4.470 0.000 0.000 0.294 176 S C -1.741 172.876 174.600 0.028 0.000 1.294 176 S CA 0.394 58.597 58.200 0.005 0.000 1.055 176 S CB 0.990 64.202 63.200 0.020 0.000 0.819 176 S HN 0.738 nan 8.310 nan 0.000 0.503 177 P HA 0.397 nan 4.420 nan 0.000 0.278 177 P C -0.938 176.416 177.300 0.091 0.000 1.238 177 P CA -0.364 62.781 63.100 0.074 0.000 0.794 177 P CB 0.562 32.309 31.700 0.080 0.000 0.955 178 L N 1.879 123.170 121.223 0.114 0.000 2.470 178 L HA 0.481 4.821 4.340 0.000 0.000 0.268 178 L C -0.547 176.378 176.870 0.092 0.000 0.964 178 L CA -1.070 53.831 54.840 0.102 0.000 0.839 178 L CB 2.563 44.687 42.059 0.108 0.000 1.276 178 L HN 0.127 nan 8.230 nan 0.000 0.403 179 V N 5.256 125.190 119.914 0.033 0.000 2.540 179 V HA 0.550 4.670 4.120 0.000 0.000 0.302 179 V C -0.370 175.717 176.094 -0.011 0.000 1.035 179 V CA -0.338 61.908 62.300 -0.090 0.000 0.873 179 V CB 2.071 33.737 31.823 -0.260 0.000 0.992 179 V HN 0.563 nan 8.190 nan 0.000 0.428 180 I N 6.338 126.902 120.570 -0.010 0.000 2.342 180 I HA 0.508 4.678 4.170 0.000 0.000 0.291 180 I C 0.917 177.137 176.117 0.172 0.000 1.010 180 I CA -0.032 61.314 61.300 0.076 0.000 1.308 180 I CB 1.468 39.492 38.000 0.039 0.000 1.400 180 I HN 0.753 nan 8.210 nan 0.000 0.488 181 G N 7.347 116.301 108.800 0.257 0.000 2.335 181 G HA2 0.605 4.565 3.960 0.000 0.000 0.316 181 G HA3 0.605 4.565 3.960 0.000 0.000 0.316 181 G C -0.659 174.335 174.900 0.157 0.000 1.129 181 G CA -0.538 44.702 45.100 0.234 0.000 0.899 181 G HN 0.455 nan 8.290 nan 0.000 0.448 182 L N 3.060 124.281 121.223 -0.004 0.000 2.257 182 L HA 0.551 4.891 4.340 0.000 0.000 0.290 182 L C 1.068 177.954 176.870 0.027 0.000 1.044 182 L CA -0.563 54.276 54.840 -0.001 0.000 0.810 182 L CB 1.370 43.397 42.059 -0.053 0.000 1.193 182 L HN 0.634 nan 8.230 nan 0.000 0.425 183 G N 3.264 112.116 108.800 0.087 0.000 2.828 183 G HA2 0.619 4.579 3.960 0.000 0.000 0.244 183 G HA3 0.619 4.579 3.960 0.000 0.000 0.244 183 G C -0.447 174.478 174.900 0.041 0.000 1.365 183 G CA -0.775 44.403 45.100 0.129 0.000 1.041 183 G HN 0.426 nan 8.290 nan 0.000 0.560 184 M N 1.187 120.818 119.600 0.053 0.000 2.103 184 M HA 0.371 4.851 4.480 0.000 0.000 0.350 184 M C 0.864 177.170 176.300 0.010 0.000 1.100 184 M CA 0.319 55.630 55.300 0.019 0.000 1.042 184 M CB 1.165 33.776 32.600 0.019 0.000 1.368 184 M HN 1.056 nan 8.290 nan 0.000 0.404 185 G N 2.045 110.837 108.800 -0.013 0.000 2.148 185 G HA2 -0.216 3.744 3.960 0.000 0.000 0.254 185 G HA3 -0.216 3.744 3.960 0.000 0.000 0.254 185 G C -0.295 174.575 174.900 -0.050 0.000 0.981 185 G CA 0.574 45.659 45.100 -0.025 0.000 0.670 185 G HN 0.725 nan 8.290 nan 0.000 0.528 186 E N -1.009 119.144 120.200 -0.079 0.000 2.433 186 E HA 0.713 5.063 4.350 0.000 0.000 0.278 186 E C -1.231 175.158 176.600 -0.352 0.000 0.976 186 E CA -1.302 54.967 56.400 -0.219 0.000 0.793 186 E CB 1.301 30.873 29.700 -0.212 0.000 1.311 186 E HN 0.049 nan 8.360 nan 0.000 0.460 187 N N 0.016 118.331 118.700 -0.642 0.000 2.416 187 N HA 0.574 5.314 4.740 0.000 0.000 0.276 187 N C -1.623 173.349 175.510 -0.897 0.000 1.261 187 N CA -0.409 52.289 53.050 -0.587 0.000 0.790 187 N CB 1.693 40.041 38.487 -0.231 0.000 1.554 187 N HN 0.364 nan 8.380 nan 0.000 0.481 188 F N 0.330 120.294 119.950 0.022 0.000 2.650 188 F HA 0.685 5.212 4.527 0.000 0.000 0.320 188 F C -0.123 175.709 175.800 0.053 0.000 1.091 188 F CA -0.895 57.129 58.000 0.040 0.000 0.962 188 F CB 2.013 41.042 39.000 0.048 0.000 1.363 188 F HN 0.257 nan 8.300 nan 0.000 0.482 189 I N 0.697 121.422 120.570 0.259 0.000 2.842 189 I HA 0.854 5.024 4.170 0.000 0.000 0.297 189 I C -1.847 174.355 176.117 0.141 0.000 1.380 189 I CA -0.360 61.039 61.300 0.165 0.000 1.018 189 I CB 1.876 39.946 38.000 0.117 0.000 1.311 189 I HN 0.846 nan 8.210 nan 0.000 0.439 190 A N 3.823 126.700 122.820 0.094 0.000 2.564 190 A HA 0.560 4.880 4.320 0.000 0.000 0.291 190 A C 0.102 177.712 177.584 0.044 0.000 1.102 190 A CA -0.010 52.065 52.037 0.065 0.000 0.660 190 A CB 1.173 20.200 19.000 0.044 0.000 1.283 190 A HN 0.663 nan 8.150 nan 0.000 0.430 191 S N 0.058 115.780 115.700 0.037 0.000 2.399 191 S HA -0.005 4.465 4.470 0.000 0.000 0.231 191 S C 0.422 175.050 174.600 0.047 0.000 1.022 191 S CA 1.862 60.085 58.200 0.039 0.000 0.983 191 S CB -0.360 62.846 63.200 0.010 0.000 0.803 191 S HN 0.963 nan 8.310 nan 0.000 0.480 192 D N -1.289 119.127 120.400 0.025 0.000 2.570 192 D HA 0.268 4.908 4.640 0.000 0.000 0.244 192 D C 0.253 176.470 176.300 -0.138 0.000 1.178 192 D CA -0.710 53.287 54.000 -0.004 0.000 0.881 192 D CB 0.426 41.268 40.800 0.070 0.000 1.453 192 D HN -0.171 nan 8.370 nan 0.000 0.447 193 Q N -0.272 119.360 119.800 -0.278 0.000 2.124 193 Q HA -0.019 4.321 4.340 0.000 0.000 0.202 193 Q C 1.892 177.716 176.000 -0.293 0.000 0.977 193 Q CA 1.454 56.872 55.803 -0.642 0.000 0.850 193 Q CB -0.186 28.112 28.738 -0.734 0.000 0.901 193 Q HN 0.507 nan 8.270 nan 0.000 0.429 194 L N -0.006 121.130 121.223 -0.145 0.000 2.131 194 L HA -0.180 4.160 4.340 0.000 0.000 0.210 194 L C 2.450 179.200 176.870 -0.199 0.000 1.092 194 L CA 0.877 55.658 54.840 -0.098 0.000 0.759 194 L CB -0.637 41.413 42.059 -0.015 0.000 0.903 194 L HN 0.209 nan 8.230 nan 0.000 0.435 195 A N -0.082 122.645 122.820 -0.156 0.000 2.019 195 A HA -0.091 4.229 4.320 0.000 0.000 0.219 195 A C 2.062 179.571 177.584 -0.125 0.000 1.164 195 A CA 1.390 53.335 52.037 -0.153 0.000 0.644 195 A CB -0.419 18.539 19.000 -0.070 0.000 0.805 195 A HN 0.454 nan 8.150 nan 0.000 0.449 196 L N -0.909 120.281 121.223 -0.054 0.000 2.766 196 L HA 0.224 4.564 4.340 0.000 0.000 0.242 196 L C 1.570 178.456 176.870 0.027 0.000 1.136 196 L CA -0.188 54.641 54.840 -0.018 0.000 0.933 196 L CB 0.031 42.175 42.059 0.141 0.000 1.241 196 L HN 0.272 nan 8.230 nan 0.000 0.522 197 L N 0.656 121.914 121.223 0.057 0.000 2.127 197 L HA -0.147 4.193 4.340 0.000 0.000 0.211 197 L C -0.226 176.633 176.870 -0.019 0.000 1.089 197 L CA 1.292 56.183 54.840 0.085 0.000 0.757 197 L CB -1.616 40.497 42.059 0.090 0.000 0.899 197 L HN 0.265 nan 8.230 nan 0.000 0.434 198 P HA -0.143 nan 4.420 nan 0.000 0.219 198 P C 1.503 178.728 177.300 -0.125 0.000 1.146 198 P CA 1.334 64.382 63.100 -0.086 0.000 0.808 198 P CB 0.012 31.651 31.700 -0.101 0.000 0.779 199 V N -7.022 112.763 119.914 -0.215 0.000 3.570 199 V HA 0.322 4.442 4.120 0.000 0.000 0.257 199 V C 0.735 176.708 176.094 -0.202 0.000 1.272 199 V CA 0.681 62.815 62.300 -0.278 0.000 1.079 199 V CB 0.228 31.650 31.823 -0.669 0.000 0.829 199 V HN 0.054 nan 8.190 nan 0.000 0.454 200 T N -0.527 113.915 114.554 -0.188 0.000 2.786 200 T HA 0.494 4.844 4.350 0.000 0.000 0.316 200 T C -0.465 174.050 174.700 -0.307 0.000 1.503 200 T CA -0.443 61.532 62.100 -0.209 0.000 1.019 200 T CB 2.270 71.014 68.868 -0.207 0.000 1.415 200 T HN 0.200 nan 8.240 nan 0.000 0.496 201 R N 0.204 120.451 120.500 -0.421 0.000 2.487 201 R HA 0.283 4.623 4.340 0.000 0.000 0.272 201 R C 0.230 176.077 176.300 -0.755 0.000 0.928 201 R CA -0.209 55.617 56.100 -0.457 0.000 1.077 201 R CB 0.716 30.942 30.300 -0.123 0.000 1.265 201 R HN 0.317 nan 8.270 nan 0.000 0.537 202 R N 0.915 120.953 120.500 -0.770 0.000 2.221 202 R HA 0.313 4.653 4.340 0.000 0.000 0.327 202 R C -1.159 174.711 176.300 -0.717 0.000 1.033 202 R CA 0.064 55.853 56.100 -0.517 0.000 0.887 202 R CB 0.610 30.749 30.300 -0.267 0.000 1.057 202 R HN -0.184 nan 8.270 nan 0.000 0.455 203 F N 2.705 122.598 119.950 -0.095 0.000 2.576 203 F HA 0.533 5.060 4.527 -0.000 0.000 0.313 203 F C 0.116 175.738 175.800 -0.296 0.000 1.078 203 F CA -0.924 56.932 58.000 -0.239 0.000 0.921 203 F CB 1.477 40.239 39.000 -0.398 0.000 1.232 203 F HN 0.194 nan 8.300 nan 0.000 0.459 204 I N 2.481 122.964 120.570 -0.146 0.000 2.465 204 I HA 0.343 4.513 4.170 0.000 0.000 0.291 204 I C -1.242 174.670 176.117 -0.341 0.000 1.014 204 I CA -0.653 60.553 61.300 -0.157 0.000 1.093 204 I CB 1.598 39.578 38.000 -0.032 0.000 1.267 204 I HN 0.346 nan 8.210 nan 0.000 0.431 205 F N 6.243 126.245 119.950 0.088 0.000 2.404 205 F HA 0.368 4.895 4.527 -0.000 0.000 0.358 205 F C 0.365 176.196 175.800 0.052 0.000 1.120 205 F CA -0.511 57.525 58.000 0.059 0.000 1.144 205 F CB 0.535 39.559 39.000 0.038 0.000 1.133 205 F HN 0.128 nan 8.300 nan 0.000 0.495 206 L N 4.088 125.421 121.223 0.185 0.000 2.453 206 L HA 0.115 4.455 4.340 0.000 0.000 0.272 206 L C 0.599 177.555 176.870 0.143 0.000 1.182 206 L CA -0.277 54.647 54.840 0.140 0.000 0.858 206 L CB 0.272 42.402 42.059 0.118 0.000 1.120 206 L HN 0.506 nan 8.230 nan 0.000 0.474 207 E N 1.539 121.806 120.200 0.112 0.000 2.312 207 E HA 0.092 4.442 4.350 0.000 0.000 0.259 207 E C -0.384 176.259 176.600 0.073 0.000 1.122 207 E CA -0.752 55.700 56.400 0.087 0.000 0.922 207 E CB 0.687 30.430 29.700 0.072 0.000 1.109 207 E HN 0.311 nan 8.360 nan 0.000 0.442 208 E N 0.009 120.239 120.200 0.050 0.000 2.606 208 E HA 0.119 4.469 4.350 0.000 0.000 0.248 208 E C 0.753 177.384 176.600 0.052 0.000 1.005 208 E CA 1.238 57.658 56.400 0.032 0.000 0.946 208 E CB -0.468 29.243 29.700 0.020 0.000 0.928 208 E HN 0.664 nan 8.360 nan 0.000 0.494 209 G N 4.030 112.868 108.800 0.063 0.000 2.195 209 G HA2 -0.251 3.709 3.960 0.000 0.000 0.246 209 G HA3 -0.251 3.709 3.960 0.000 0.000 0.246 209 G C -0.059 174.922 174.900 0.135 0.000 0.984 209 G CA 0.011 45.176 45.100 0.108 0.000 0.633 209 G HN 0.610 nan 8.290 nan 0.000 0.525 210 D N 0.161 120.636 120.400 0.124 0.000 2.382 210 D HA 0.519 5.159 4.640 0.000 0.000 0.240 210 D C 0.327 176.729 176.300 0.169 0.000 1.146 210 D CA 0.327 54.411 54.000 0.139 0.000 0.897 210 D CB 1.072 41.942 40.800 0.116 0.000 1.197 210 D HN 0.156 nan 8.370 nan 0.000 0.432 211 I N 0.810 121.498 120.570 0.197 0.000 2.569 211 I HA 0.503 4.673 4.170 0.000 0.000 0.296 211 I C -0.472 175.786 176.117 0.236 0.000 1.028 211 I CA -0.715 60.706 61.300 0.202 0.000 1.082 211 I CB 1.844 39.955 38.000 0.186 0.000 1.264 211 I HN 0.355 nan 8.210 nan 0.000 0.429 212 A N 5.032 127.964 122.820 0.187 0.000 2.356 212 A HA 0.630 4.950 4.320 0.000 0.000 0.310 212 A C -0.674 177.010 177.584 0.167 0.000 1.075 212 A CA -0.583 51.559 52.037 0.176 0.000 0.746 212 A CB 0.929 19.994 19.000 0.108 0.000 1.221 212 A HN 0.666 nan 8.150 nan 0.000 0.443 213 E N 3.146 123.472 120.200 0.210 0.000 2.081 213 E HA 0.506 4.856 4.350 0.000 0.000 0.281 213 E C -1.232 175.424 176.600 0.092 0.000 0.986 213 E CA -0.236 56.254 56.400 0.150 0.000 0.796 213 E CB 0.467 30.283 29.700 0.194 0.000 1.085 213 E HN 0.592 nan 8.360 nan 0.000 0.398 214 I N 4.504 125.107 120.570 0.055 0.000 2.378 214 I HA 0.246 4.416 4.170 0.000 0.000 0.291 214 I C 0.448 176.565 176.117 -0.000 0.000 0.992 214 I CA -0.520 60.792 61.300 0.020 0.000 1.154 214 I CB 1.819 39.826 38.000 0.012 0.000 1.315 214 I HN 0.537 nan 8.210 nan 0.000 0.448 215 T N 1.570 116.114 114.554 -0.016 0.000 2.905 215 T HA 0.405 4.755 4.350 0.000 0.000 0.283 215 T C 0.960 175.620 174.700 -0.066 0.000 1.031 215 T CA -0.749 61.333 62.100 -0.031 0.000 1.002 215 T CB 1.809 70.666 68.868 -0.019 0.000 1.200 215 T HN 0.536 nan 8.240 nan 0.000 0.560 216 R N -0.325 120.131 120.500 -0.072 0.000 2.120 216 R HA 0.030 4.370 4.340 0.000 0.000 0.234 216 R C 1.947 178.199 176.300 -0.080 0.000 1.123 216 R CA 1.252 57.293 56.100 -0.099 0.000 0.975 216 R CB -0.027 30.232 30.300 -0.069 0.000 0.866 216 R HN 0.588 nan 8.270 nan 0.000 0.446 217 R N -0.891 119.577 120.500 -0.052 0.000 2.437 217 R HA 0.130 4.470 4.340 0.000 0.000 0.257 217 R C -0.273 176.007 176.300 -0.033 0.000 0.927 217 R CA 0.196 56.272 56.100 -0.039 0.000 1.078 217 R CB 1.169 31.452 30.300 -0.028 0.000 1.161 217 R HN 0.077 nan 8.270 nan 0.000 0.529 218 S N -1.140 114.540 115.700 -0.033 0.000 2.552 218 S HA 0.502 4.972 4.470 0.000 0.000 0.272 218 S C -0.949 173.640 174.600 -0.019 0.000 1.150 218 S CA -0.890 57.296 58.200 -0.023 0.000 0.849 218 S CB 2.361 65.553 63.200 -0.013 0.000 1.113 218 S HN -0.146 nan 8.310 nan 0.000 0.458 219 V N 1.754 121.657 119.914 -0.019 0.000 2.524 219 V HA 0.527 4.647 4.120 0.000 0.000 0.297 219 V C -0.985 175.090 176.094 -0.032 0.000 1.035 219 V CA -0.605 61.687 62.300 -0.013 0.000 0.867 219 V CB 1.398 33.212 31.823 -0.015 0.000 1.004 219 V HN 0.975 nan 8.190 nan 0.000 0.426 220 N N 4.531 123.217 118.700 -0.023 0.000 2.442 220 N HA 0.687 5.427 4.740 0.000 0.000 0.274 220 N C -1.111 174.289 175.510 -0.182 0.000 1.002 220 N CA -0.492 52.484 53.050 -0.123 0.000 0.910 220 N CB 1.948 40.419 38.487 -0.025 0.000 1.244 220 N HN 0.578 nan 8.380 nan 0.000 0.492 221 I N 2.764 123.136 120.570 -0.329 0.000 2.412 221 I HA 0.435 4.605 4.170 0.000 0.000 0.296 221 I C -0.886 174.936 176.117 -0.492 0.000 0.987 221 I CA -0.631 60.536 61.300 -0.221 0.000 1.180 221 I CB 0.870 38.823 38.000 -0.078 0.000 1.340 221 I HN 0.291 nan 8.210 nan 0.000 0.455 222 F N 3.166 123.139 119.950 0.038 0.000 2.508 222 F HA 0.336 4.863 4.527 0.000 0.000 0.325 222 F C 0.367 176.194 175.800 0.046 0.000 1.090 222 F CA -1.029 56.993 58.000 0.037 0.000 0.945 222 F CB 1.046 40.066 39.000 0.032 0.000 1.156 222 F HN 0.464 nan 8.300 nan 0.000 0.463 223 D N 1.003 121.509 120.400 0.178 0.000 2.398 223 D HA 0.117 4.757 4.640 0.000 0.000 0.264 223 D C 1.201 177.584 176.300 0.138 0.000 1.263 223 D CA -0.372 53.705 54.000 0.129 0.000 1.037 223 D CB 0.599 41.450 40.800 0.084 0.000 1.101 223 D HN 0.347 nan 8.370 nan 0.000 0.551 224 K N -1.143 119.322 120.400 0.108 0.000 2.097 224 K HA -0.120 4.200 4.320 0.000 0.000 0.206 224 K C 1.827 178.481 176.600 0.089 0.000 1.049 224 K CA 2.143 58.491 56.287 0.101 0.000 0.933 224 K CB -0.971 31.579 32.500 0.085 0.000 0.717 224 K HN 0.620 nan 8.250 nan 0.000 0.442 225 T N -3.484 111.119 114.554 0.082 0.000 3.160 225 T HA 0.160 4.510 4.350 0.000 0.000 0.257 225 T C 1.379 176.126 174.700 0.078 0.000 1.147 225 T CA 0.707 62.849 62.100 0.070 0.000 1.064 225 T CB -0.218 68.686 68.868 0.061 0.000 0.949 225 T HN 0.390 nan 8.240 nan 0.000 0.526 226 G N 0.997 109.861 108.800 0.108 0.000 2.195 226 G HA2 -0.077 3.883 3.960 0.000 0.000 0.246 226 G HA3 -0.077 3.883 3.960 0.000 0.000 0.246 226 G C 0.379 175.406 174.900 0.212 0.000 0.984 226 G CA -0.090 45.086 45.100 0.127 0.000 0.633 226 G HN 1.241 nan 8.290 nan 0.000 0.525 227 A N 0.147 123.068 122.820 0.170 0.000 2.520 227 A HA 0.505 4.825 4.320 0.000 0.000 0.235 227 A C 0.495 178.187 177.584 0.180 0.000 1.065 227 A CA 0.891 53.021 52.037 0.155 0.000 0.764 227 A CB 0.229 19.281 19.000 0.087 0.000 1.002 227 A HN 0.635 nan 8.150 nan 0.000 0.502 228 E N 0.779 121.042 120.200 0.106 0.000 2.180 228 E HA 0.417 4.767 4.350 0.000 0.000 0.283 228 E C -0.404 176.113 176.600 -0.137 0.000 1.061 228 E CA -0.342 55.968 56.400 -0.150 0.000 0.861 228 E CB 0.505 30.128 29.700 -0.128 0.000 1.056 228 E HN 0.617 nan 8.360 nan 0.000 0.407 229 V N 1.604 121.405 119.914 -0.188 0.000 3.001 229 V HA 0.584 4.704 4.120 0.000 0.000 0.314 229 V C -0.781 175.247 176.094 -0.110 0.000 1.099 229 V CA -1.209 61.032 62.300 -0.098 0.000 0.989 229 V CB 2.008 33.806 31.823 -0.041 0.000 1.040 229 V HN 0.370 nan 8.190 nan 0.000 0.434 230 K N 2.880 123.244 120.400 -0.061 0.000 2.234 230 K HA 0.564 4.884 4.320 0.000 0.000 0.277 230 K C -0.454 176.137 176.600 -0.015 0.000 1.038 230 K CA -0.391 55.870 56.287 -0.044 0.000 0.888 230 K CB 1.194 33.676 32.500 -0.029 0.000 1.091 230 K HN 0.627 nan 8.250 nan 0.000 0.467 231 R N 1.595 122.091 120.500 -0.006 0.000 2.486 231 R HA 0.233 4.573 4.340 0.000 0.000 0.286 231 R C 0.221 176.542 176.300 0.036 0.000 0.999 231 R CA -0.718 55.398 56.100 0.028 0.000 0.993 231 R CB 0.907 31.234 30.300 0.045 0.000 1.084 231 R HN 0.584 nan 8.270 nan 0.000 0.487 232 Q N 1.942 121.779 119.800 0.062 0.000 2.327 232 Q HA 0.051 4.391 4.340 0.000 0.000 0.254 232 Q C -0.660 175.388 176.000 0.080 0.000 0.952 232 Q CA -0.370 55.471 55.803 0.064 0.000 0.884 232 Q CB 0.871 29.651 28.738 0.071 0.000 1.224 232 Q HN 0.515 nan 8.270 nan 0.000 0.422 233 D N 3.950 124.383 120.400 0.055 0.000 2.177 233 D HA 0.342 4.982 4.640 0.000 0.000 0.247 233 D C -0.150 176.197 176.300 0.079 0.000 1.063 233 D CA -0.543 53.488 54.000 0.051 0.000 0.867 233 D CB 1.029 41.833 40.800 0.005 0.000 1.168 233 D HN 0.547 nan 8.370 nan 0.000 0.445 234 I N -2.459 118.185 120.570 0.122 0.000 2.707 234 I HA 0.622 4.792 4.170 0.000 0.000 0.309 234 I C -0.380 175.799 176.117 0.104 0.000 1.001 234 I CA -1.202 60.187 61.300 0.148 0.000 1.129 234 I CB 1.809 39.968 38.000 0.264 0.000 1.308 234 I HN 0.190 nan 8.210 nan 0.000 0.466 235 E N 2.640 122.894 120.200 0.089 0.000 2.134 235 E HA 0.388 4.738 4.350 0.000 0.000 0.278 235 E C -0.783 175.892 176.600 0.126 0.000 0.959 235 E CA -0.399 56.037 56.400 0.060 0.000 0.783 235 E CB 1.171 30.888 29.700 0.029 0.000 1.095 235 E HN 0.733 nan 8.360 nan 0.000 0.399 236 S N 3.571 119.378 115.700 0.179 0.000 2.541 236 S HA 0.275 4.746 4.470 0.000 0.000 0.283 236 S C 0.102 174.792 174.600 0.151 0.000 1.196 236 S CA -0.642 57.696 58.200 0.228 0.000 1.062 236 S CB 0.600 64.044 63.200 0.407 0.000 1.009 236 S HN 0.600 nan 8.310 nan 0.000 0.502 237 N N 3.446 122.217 118.700 0.118 0.000 2.273 237 N HA 0.216 4.956 4.740 0.000 0.000 0.231 237 N C -0.626 174.932 175.510 0.080 0.000 1.134 237 N CA -0.426 52.673 53.050 0.082 0.000 0.856 237 N CB -0.184 38.338 38.487 0.057 0.000 1.068 237 N HN 0.341 nan 8.380 nan 0.000 0.510 238 L N 0.967 122.253 121.223 0.105 0.000 2.452 238 L HA 0.264 4.604 4.340 0.000 0.000 0.267 238 L C 0.232 177.155 176.870 0.090 0.000 1.188 238 L CA 0.537 55.429 54.840 0.087 0.000 0.821 238 L CB 0.394 42.508 42.059 0.092 0.000 1.102 238 L HN 0.299 nan 8.230 nan 0.000 0.470 239 Q N 1.943 121.787 119.800 0.074 0.000 2.337 239 Q HA 0.238 4.578 4.340 0.000 0.000 0.270 239 Q C -1.354 174.706 176.000 0.100 0.000 1.043 239 Q CA -0.617 55.233 55.803 0.078 0.000 0.794 239 Q CB 2.083 30.844 28.738 0.039 0.000 1.281 239 Q HN 0.449 nan 8.270 nan 0.000 0.446 240 Y N 2.125 122.424 120.300 -0.002 0.000 2.365 240 Y HA 0.246 4.796 4.550 0.000 0.000 0.340 240 Y C -0.614 175.278 175.900 -0.015 0.000 1.016 240 Y CA -0.753 57.339 58.100 -0.014 0.000 1.196 240 Y CB 0.815 39.269 38.460 -0.009 0.000 1.167 240 Y HN 0.501 nan 8.280 nan 0.000 0.509 241 D N 4.721 124.739 120.400 -0.638 0.000 2.392 241 D HA 0.396 5.036 4.640 0.000 0.000 0.228 241 D C 0.303 176.026 176.300 -0.962 0.000 1.074 241 D CA -0.081 53.585 54.000 -0.558 0.000 0.838 241 D CB 1.409 42.034 40.800 -0.292 0.000 1.067 241 D HN 0.668 nan 8.370 nan 0.000 0.511 242 A N 3.281 125.647 122.820 -0.756 0.000 2.167 242 A HA 0.484 4.804 4.320 0.000 0.000 0.214 242 A C 1.361 178.818 177.584 -0.210 0.000 1.151 242 A CA 0.734 52.480 52.037 -0.484 0.000 0.735 242 A CB -0.958 17.995 19.000 -0.078 0.000 0.802 242 A HN 1.106 nan 8.150 nan 0.000 0.467 243 G N -1.394 107.307 108.800 -0.165 0.000 2.814 243 G HA2 0.101 4.061 3.960 0.000 0.000 0.677 243 G HA3 0.101 4.061 3.960 0.000 0.000 0.677 243 G C -0.926 174.053 174.900 0.133 0.000 1.429 243 G CA 0.033 45.117 45.100 -0.028 0.000 0.868 243 G HN 0.711 nan 8.290 nan 0.000 0.553 244 D N -1.260 119.287 120.400 0.246 0.000 2.623 244 D HA 0.464 5.104 4.640 0.000 0.000 0.241 244 D C 0.797 177.135 176.300 0.065 0.000 1.241 244 D CA -0.787 53.320 54.000 0.178 0.000 0.788 244 D CB 1.555 42.394 40.800 0.065 0.000 1.413 244 D HN 0.358 nan 8.370 nan 0.000 0.429 245 K N 0.399 120.705 120.400 -0.158 0.000 2.323 245 K HA 0.322 4.642 4.320 0.000 0.000 0.197 245 K C 1.239 177.852 176.600 0.022 0.000 1.043 245 K CA 0.462 56.592 56.287 -0.261 0.000 0.997 245 K CB 0.126 32.372 32.500 -0.424 0.000 0.807 245 K HN 0.614 nan 8.250 nan 0.000 0.497 246 G N 2.288 111.097 108.800 0.015 0.000 2.611 246 G HA2 -0.371 3.589 3.960 0.000 0.000 0.301 246 G HA3 -0.371 3.589 3.960 0.000 0.000 0.301 246 G C 0.800 175.660 174.900 -0.066 0.000 1.233 246 G CA 0.469 45.586 45.100 0.028 0.000 0.993 246 G HN 0.401 nan 8.290 nan 0.000 0.553 247 I N -0.996 119.457 120.570 -0.194 0.000 3.444 247 I HA 0.349 4.519 4.170 0.000 0.000 0.287 247 I C 0.903 176.762 176.117 -0.431 0.000 1.302 247 I CA -0.009 61.079 61.300 -0.353 0.000 1.368 247 I CB -0.365 37.342 38.000 -0.489 0.000 1.048 247 I HN 0.309 nan 8.210 nan 0.000 0.487 248 Y N 1.032 121.234 120.300 -0.164 0.000 2.326 248 Y HA 0.356 4.906 4.550 -0.000 0.000 0.324 248 Y C 1.674 177.458 175.900 -0.194 0.000 1.291 248 Y CA -0.604 57.390 58.100 -0.177 0.000 1.348 248 Y CB 0.613 38.961 38.460 -0.187 0.000 1.294 248 Y HN -0.130 nan 8.280 nan 0.000 0.525 249 R N -0.284 120.217 120.500 0.002 0.000 2.210 249 R HA 0.085 4.425 4.340 0.000 0.000 0.203 249 R C -0.483 175.551 176.300 -0.444 0.000 1.010 249 R CA 0.717 56.705 56.100 -0.187 0.000 1.008 249 R CB 0.227 30.476 30.300 -0.085 0.000 0.923 249 R HN 0.672 nan 8.270 nan 0.000 0.469 250 H N -2.422 116.645 119.070 -0.006 0.000 2.980 250 H HA 0.089 4.645 4.556 0.000 0.000 0.367 250 H C -0.478 174.757 175.328 -0.156 0.000 1.206 250 H CA -0.721 55.300 56.048 -0.046 0.000 1.126 250 H CB 1.043 30.875 29.762 0.117 0.000 1.838 250 H HN -0.080 nan 8.280 nan 0.000 0.552 251 Y N 0.269 120.625 120.300 0.094 0.000 2.263 251 Y HA -0.120 4.430 4.550 -0.000 0.000 0.292 251 Y C 2.867 178.718 175.900 -0.081 0.000 1.130 251 Y CA 1.028 59.122 58.100 -0.011 0.000 1.179 251 Y CB 0.099 38.556 38.460 -0.005 0.000 0.998 251 Y HN 0.537 nan 8.280 nan 0.000 0.532 252 M N 0.071 119.723 119.600 0.086 0.000 2.106 252 M HA -0.346 4.134 4.480 0.000 0.000 0.259 252 M C 2.363 178.499 176.300 -0.274 0.000 1.068 252 M CA 1.981 57.233 55.300 -0.080 0.000 1.100 252 M CB -0.188 32.368 32.600 -0.072 0.000 1.351 252 M HN 0.392 nan 8.290 nan 0.000 0.404 253 Q N 0.476 120.036 119.800 -0.401 0.000 1.990 253 Q HA -0.263 4.077 4.340 0.000 0.000 0.200 253 Q C 2.057 177.750 176.000 -0.512 0.000 0.980 253 Q CA 2.110 57.563 55.803 -0.583 0.000 0.832 253 Q CB -0.327 28.084 28.738 -0.545 0.000 0.897 253 Q HN 0.554 nan 8.270 nan 0.000 0.427 254 K N 0.306 120.304 120.400 -0.671 0.000 2.074 254 K HA -0.251 4.069 4.320 0.000 0.000 0.209 254 K C 1.670 177.996 176.600 -0.456 0.000 1.048 254 K CA 2.027 57.711 56.287 -1.004 0.000 0.926 254 K CB -0.091 32.099 32.500 -0.516 0.000 0.713 254 K HN 0.290 nan 8.250 nan 0.000 0.444 255 E N 0.348 120.399 120.200 -0.249 0.000 2.150 255 E HA -0.116 4.234 4.350 0.000 0.000 0.193 255 E C 1.985 178.499 176.600 -0.144 0.000 0.985 255 E CA 1.210 57.526 56.400 -0.140 0.000 0.814 255 E CB -0.006 29.650 29.700 -0.074 0.000 0.752 255 E HN 0.390 nan 8.360 nan 0.000 0.466 256 I N -0.328 120.135 120.570 -0.179 0.000 2.233 256 I HA -0.236 3.934 4.170 0.000 0.000 0.243 256 I C 1.495 177.487 176.117 -0.207 0.000 1.093 256 I CA 0.944 62.135 61.300 -0.183 0.000 1.380 256 I CB -0.054 37.813 38.000 -0.221 0.000 1.067 256 I HN 0.139 nan 8.210 nan 0.000 0.413 257 Y N 0.474 120.616 120.300 -0.264 0.000 2.571 257 Y HA -0.128 4.422 4.550 -0.000 0.000 0.294 257 Y C 2.320 178.149 175.900 -0.119 0.000 1.141 257 Y CA 0.822 58.820 58.100 -0.171 0.000 1.308 257 Y CB -0.279 38.084 38.460 -0.162 0.000 1.002 257 Y HN 0.210 nan 8.280 nan 0.000 0.551 258 E N -0.257 119.921 120.200 -0.037 0.000 2.442 258 E HA -0.121 4.229 4.350 0.000 0.000 0.195 258 E C 1.569 178.151 176.600 -0.030 0.000 1.030 258 E CA 0.080 56.465 56.400 -0.025 0.000 0.869 258 E CB 0.183 29.852 29.700 -0.051 0.000 0.857 258 E HN 0.615 nan 8.360 nan 0.000 0.505 259 Q N 0.121 119.889 119.800 -0.054 0.000 2.096 259 Q HA -0.151 4.189 4.340 0.000 0.000 0.204 259 Q C -0.804 175.176 176.000 -0.032 0.000 0.982 259 Q CA 1.463 57.238 55.803 -0.048 0.000 0.850 259 Q CB -0.932 27.768 28.738 -0.062 0.000 0.901 259 Q HN 0.304 nan 8.270 nan 0.000 0.422 260 P HA -0.163 nan 4.420 nan 0.000 0.215 260 P C 0.620 177.912 177.300 -0.013 0.000 1.153 260 P CA 1.427 64.519 63.100 -0.014 0.000 0.853 260 P CB -0.047 31.652 31.700 -0.001 0.000 0.788 261 N N -1.089 117.607 118.700 -0.007 0.000 2.270 261 N HA -0.059 4.681 4.740 0.000 0.000 0.181 261 N C 1.622 177.121 175.510 -0.017 0.000 1.016 261 N CA 0.974 54.019 53.050 -0.008 0.000 0.870 261 N CB -0.527 37.962 38.487 0.003 0.000 0.979 261 N HN -0.069 nan 8.380 nan 0.000 0.431 262 A N 0.757 123.564 122.820 -0.022 0.000 1.858 262 A HA -0.098 4.222 4.320 0.000 0.000 0.216 262 A C 2.150 179.715 177.584 -0.031 0.000 1.190 262 A CA 1.119 53.139 52.037 -0.028 0.000 0.617 262 A CB -0.839 18.143 19.000 -0.031 0.000 0.827 262 A HN 0.336 nan 8.150 nan 0.000 0.443 263 I N -0.456 120.095 120.570 -0.032 0.000 2.208 263 I HA -0.286 3.884 4.170 0.000 0.000 0.245 263 I C 2.603 178.696 176.117 -0.040 0.000 1.097 263 I CA 1.766 63.044 61.300 -0.037 0.000 1.363 263 I CB -0.326 37.653 38.000 -0.034 0.000 1.051 263 I HN 0.359 nan 8.210 nan 0.000 0.413 264 K N 0.977 121.356 120.400 -0.034 0.000 2.103 264 K HA -0.206 4.114 4.320 0.000 0.000 0.207 264 K C 1.710 178.289 176.600 -0.034 0.000 1.048 264 K CA 1.492 57.758 56.287 -0.035 0.000 0.930 264 K CB -0.117 32.367 32.500 -0.028 0.000 0.716 264 K HN 0.351 nan 8.250 nan 0.000 0.444 265 N N -0.019 118.662 118.700 -0.031 0.000 2.331 265 N HA -0.065 4.675 4.740 0.000 0.000 0.180 265 N C 1.414 176.904 175.510 -0.033 0.000 1.019 265 N CA 1.075 54.107 53.050 -0.030 0.000 0.881 265 N CB -0.131 38.340 38.487 -0.027 0.000 0.972 265 N HN 0.191 nan 8.380 nan 0.000 0.435 266 T N 1.199 115.730 114.554 -0.038 0.000 2.951 266 T HA 0.099 4.449 4.350 0.000 0.000 0.268 266 T C 1.992 176.665 174.700 -0.044 0.000 1.073 266 T CA 0.467 62.542 62.100 -0.041 0.000 1.134 266 T CB 0.102 68.943 68.868 -0.045 0.000 0.884 266 T HN 0.160 nan 8.240 nan 0.000 0.479 267 L N 0.654 121.849 121.223 -0.047 0.000 2.341 267 L HA 0.086 4.426 4.340 0.000 0.000 0.214 267 L C 1.006 177.850 176.870 -0.044 0.000 1.115 267 L CA 0.293 55.101 54.840 -0.053 0.000 0.820 267 L CB -0.790 41.233 42.059 -0.061 0.000 0.944 267 L HN 0.066 nan 8.230 nan 0.000 0.452 268 T N 1.441 115.973 114.554 -0.037 0.000 2.778 268 T HA 0.156 4.506 4.350 0.000 0.000 0.282 268 T C 1.186 175.870 174.700 -0.027 0.000 0.983 268 T CA 1.016 63.097 62.100 -0.031 0.000 1.193 268 T CB 0.268 69.121 68.868 -0.027 0.000 0.938 268 T HN 0.622 nan 8.240 nan 0.000 0.523 269 G N 3.862 112.647 108.800 -0.025 0.000 2.179 269 G HA2 -0.322 3.638 3.960 0.000 0.000 0.257 269 G HA3 -0.322 3.638 3.960 0.000 0.000 0.257 269 G C 0.806 175.693 174.900 -0.022 0.000 1.010 269 G CA 0.443 45.530 45.100 -0.020 0.000 0.736 269 G HN 0.733 nan 8.290 nan 0.000 0.513 270 R N -1.155 119.328 120.500 -0.028 0.000 2.446 270 R HA 0.318 4.658 4.340 0.000 0.000 0.254 270 R C 0.336 176.615 176.300 -0.034 0.000 0.918 270 R CA -0.139 55.943 56.100 -0.030 0.000 1.069 270 R CB 0.794 31.073 30.300 -0.035 0.000 1.194 270 R HN 0.352 nan 8.270 nan 0.000 0.534 271 I N 0.873 121.422 120.570 -0.036 0.000 2.362 271 I HA 0.246 4.416 4.170 0.000 0.000 0.289 271 I C -0.361 175.744 176.117 -0.020 0.000 0.994 271 I CA -0.387 60.889 61.300 -0.041 0.000 1.158 271 I CB 1.591 39.555 38.000 -0.061 0.000 1.315 271 I HN -0.152 nan 8.210 nan 0.000 0.451 272 S N 5.472 121.171 115.700 -0.000 0.000 2.776 272 S HA 0.418 4.888 4.470 0.000 0.000 0.284 272 S C -0.192 174.473 174.600 0.109 0.000 1.160 272 S CA -0.230 57.992 58.200 0.037 0.000 1.051 272 S CB 0.036 63.249 63.200 0.022 0.000 1.037 272 S HN 0.763 nan 8.310 nan 0.000 0.485 273 H N 3.073 122.125 119.070 -0.031 0.000 2.770 273 H HA -0.184 4.372 4.556 -0.000 0.000 0.309 273 H C 1.244 176.552 175.328 -0.033 0.000 1.206 273 H CA 1.798 57.832 56.048 -0.024 0.000 1.147 273 H CB -1.163 28.590 29.762 -0.015 0.000 1.422 273 H HN 1.722 nan 8.280 nan 0.000 0.420 274 G N -0.655 108.110 108.800 -0.058 0.000 2.189 274 G HA2 -0.342 3.619 3.960 0.000 0.000 0.267 274 G HA3 -0.342 3.619 3.960 0.000 0.000 0.267 274 G C 0.238 175.086 174.900 -0.087 0.000 0.975 274 G CA 0.665 45.698 45.100 -0.111 0.000 0.644 274 G HN 0.716 nan 8.290 nan 0.000 0.537 275 Q N -0.514 119.272 119.800 -0.024 0.000 2.345 275 Q HA 0.626 4.966 4.340 0.000 0.000 0.268 275 Q C -0.019 175.967 176.000 -0.023 0.000 1.054 275 Q CA -1.087 54.706 55.803 -0.017 0.000 0.835 275 Q CB 2.904 31.656 28.738 0.023 0.000 1.339 275 Q HN 0.101 nan 8.270 nan 0.000 0.447 276 V N 2.268 122.162 119.914 -0.033 0.000 2.493 276 V HA -0.069 4.051 4.120 0.000 0.000 0.292 276 V C -0.241 175.843 176.094 -0.017 0.000 1.016 276 V CA 0.658 62.937 62.300 -0.035 0.000 1.097 276 V CB 0.322 32.119 31.823 -0.044 0.000 0.947 276 V HN 0.684 nan 8.190 nan 0.000 0.479 277 D N 5.389 125.778 120.400 -0.017 0.000 2.453 277 D HA 0.314 4.954 4.640 0.000 0.000 0.238 277 D C 0.145 176.438 176.300 -0.013 0.000 1.088 277 D CA -0.336 53.657 54.000 -0.011 0.000 0.854 277 D CB 1.001 41.796 40.800 -0.008 0.000 1.076 277 D HN 0.416 nan 8.370 nan 0.000 0.533 278 L N 3.154 124.371 121.223 -0.009 0.000 2.928 278 L HA 0.103 4.443 4.340 0.000 0.000 0.246 278 L C 1.865 178.731 176.870 -0.007 0.000 1.239 278 L CA -0.134 54.701 54.840 -0.008 0.000 1.035 278 L CB -0.062 41.995 42.059 -0.003 0.000 1.360 278 L HN 0.405 nan 8.230 nan 0.000 0.529 279 S N -0.625 115.070 115.700 -0.008 0.000 2.462 279 S HA -0.247 4.223 4.470 0.000 0.000 0.243 279 S C 1.653 176.248 174.600 -0.008 0.000 1.003 279 S CA 1.395 59.590 58.200 -0.008 0.000 0.970 279 S CB -0.259 62.935 63.200 -0.010 0.000 0.762 279 S HN 0.736 nan 8.310 nan 0.000 0.510 280 E N 1.642 121.837 120.200 -0.009 0.000 2.268 280 E HA -0.099 4.251 4.350 0.000 0.000 0.195 280 E C 1.844 178.439 176.600 -0.009 0.000 0.995 280 E CA 0.894 57.288 56.400 -0.009 0.000 0.836 280 E CB -0.614 29.079 29.700 -0.011 0.000 0.763 280 E HN 0.602 nan 8.360 nan 0.000 0.491 281 L N 0.733 121.951 121.223 -0.008 0.000 2.456 281 L HA 0.090 4.430 4.340 0.000 0.000 0.224 281 L C 1.121 177.987 176.870 -0.006 0.000 1.148 281 L CA 0.670 55.505 54.840 -0.008 0.000 0.825 281 L CB -0.599 41.457 42.059 -0.006 0.000 0.937 281 L HN 0.403 nan 8.230 nan 0.000 0.450 282 G N -0.954 107.843 108.800 -0.005 0.000 2.515 282 G HA2 -0.114 3.846 3.960 0.000 0.000 0.686 282 G HA3 -0.114 3.846 3.960 0.000 0.000 0.686 282 G C -2.379 172.519 174.900 -0.003 0.000 1.274 282 G CA -0.687 44.410 45.100 -0.004 0.000 0.874 282 G HN -0.121 nan 8.290 nan 0.000 0.631 283 P HA 0.003 nan 4.420 nan 0.000 0.221 283 P C 1.005 178.304 177.300 -0.001 0.000 1.145 283 P CA 1.192 64.290 63.100 -0.003 0.000 0.795 283 P CB 0.146 31.844 31.700 -0.003 0.000 0.775 284 N N -1.777 116.922 118.700 -0.000 0.000 2.338 284 N HA 0.224 4.964 4.740 0.000 0.000 0.251 284 N C 0.971 176.483 175.510 0.002 0.000 1.199 284 N CA 0.047 53.098 53.050 0.001 0.000 0.879 284 N CB 0.324 38.812 38.487 0.002 0.000 1.159 284 N HN -0.005 nan 8.380 nan 0.000 0.514 285 A N 0.415 123.236 122.820 0.002 0.000 1.897 285 A HA -0.083 4.237 4.320 0.000 0.000 0.215 285 A C 1.641 179.228 177.584 0.006 0.000 1.181 285 A CA 1.155 53.194 52.037 0.003 0.000 0.620 285 A CB -0.072 18.929 19.000 0.001 0.000 0.821 285 A HN 0.027 nan 8.150 nan 0.000 0.443 286 D N 0.052 120.455 120.400 0.006 0.000 2.228 286 D HA -0.151 4.489 4.640 0.000 0.000 0.203 286 D C 1.804 178.110 176.300 0.009 0.000 0.988 286 D CA 1.235 55.240 54.000 0.008 0.000 0.864 286 D CB -0.292 40.512 40.800 0.007 0.000 0.928 286 D HN 0.643 nan 8.370 nan 0.000 0.469 287 E N -0.345 119.859 120.200 0.007 0.000 2.051 287 E HA -0.168 4.182 4.350 0.000 0.000 0.192 287 E C 2.012 178.618 176.600 0.010 0.000 0.991 287 E CA 0.498 56.902 56.400 0.008 0.000 0.799 287 E CB -0.048 29.656 29.700 0.006 0.000 0.748 287 E HN 0.153 nan 8.360 nan 0.000 0.449 288 L N 0.882 122.111 121.223 0.010 0.000 2.023 288 L HA -0.108 4.232 4.340 0.000 0.000 0.205 288 L C 2.102 178.980 176.870 0.013 0.000 1.073 288 L CA 1.436 56.283 54.840 0.012 0.000 0.745 288 L CB -0.452 41.613 42.059 0.011 0.000 0.900 288 L HN 0.094 nan 8.230 nan 0.000 0.435 289 L N -0.689 120.541 121.223 0.012 0.000 2.189 289 L HA -0.225 4.115 4.340 0.000 0.000 0.214 289 L C 2.363 179.243 176.870 0.018 0.000 1.097 289 L CA 1.318 56.167 54.840 0.015 0.000 0.764 289 L CB -0.803 41.267 42.059 0.017 0.000 0.900 289 L HN 0.270 nan 8.230 nan 0.000 0.436 290 S N -0.527 115.183 115.700 0.017 0.000 2.453 290 S HA -0.065 4.405 4.470 0.000 0.000 0.231 290 S C 1.765 176.376 174.600 0.018 0.000 1.005 290 S CA 0.766 58.977 58.200 0.018 0.000 0.949 290 S CB -0.004 63.206 63.200 0.015 0.000 0.774 290 S HN 0.436 nan 8.310 nan 0.000 0.510 291 K N 1.208 121.618 120.400 0.017 0.000 2.366 291 K HA 0.102 4.422 4.320 0.000 0.000 0.198 291 K C 0.228 176.841 176.600 0.022 0.000 1.044 291 K CA 0.266 56.564 56.287 0.018 0.000 0.973 291 K CB -0.236 32.273 32.500 0.016 0.000 0.767 291 K HN 0.178 nan 8.250 nan 0.000 0.475 292 V N 3.270 123.196 119.914 0.021 0.000 2.458 292 V HA -0.065 4.055 4.120 0.000 0.000 0.287 292 V C 0.958 177.067 176.094 0.025 0.000 1.009 292 V CA 0.911 63.223 62.300 0.020 0.000 1.091 292 V CB 0.235 32.058 31.823 -0.000 0.000 0.960 292 V HN 0.295 nan 8.190 nan 0.000 0.476 293 E N 2.470 122.697 120.200 0.045 0.000 2.562 293 E HA 0.196 4.547 4.350 0.000 0.000 0.214 293 E C 0.190 176.848 176.600 0.096 0.000 0.979 293 E CA -0.058 56.376 56.400 0.056 0.000 1.002 293 E CB 0.702 30.434 29.700 0.053 0.000 1.048 293 E HN 0.784 nan 8.360 nan 0.000 0.488 294 H N -0.109 118.947 119.070 -0.023 0.000 3.079 294 H HA 0.410 4.966 4.556 0.000 0.000 0.356 294 H C -1.694 173.596 175.328 -0.064 0.000 1.221 294 H CA -0.562 55.466 56.048 -0.033 0.000 1.185 294 H CB 1.282 31.038 29.762 -0.010 0.000 1.882 294 H HN -0.068 nan 8.280 nan 0.000 0.543 295 I N 3.260 123.279 120.570 -0.919 0.000 2.498 295 I HA 0.131 4.301 4.170 0.000 0.000 0.290 295 I C -0.694 175.088 176.117 -0.558 0.000 1.032 295 I CA -0.690 60.266 61.300 -0.574 0.000 1.073 295 I CB 2.235 39.822 38.000 -0.688 0.000 1.251 295 I HN 0.393 nan 8.210 nan 0.000 0.426 296 Q N 6.666 126.382 119.800 -0.140 0.000 2.331 296 Q HA 0.642 4.983 4.340 0.000 0.000 0.267 296 Q C -1.553 174.337 176.000 -0.183 0.000 1.006 296 Q CA -0.236 55.545 55.803 -0.038 0.000 0.818 296 Q CB 1.596 30.412 28.738 0.130 0.000 1.276 296 Q HN 0.538 nan 8.270 nan 0.000 0.450 297 I N 5.091 125.564 120.570 -0.162 0.000 2.433 297 I HA 0.449 4.619 4.170 0.000 0.000 0.292 297 I C -0.768 175.262 176.117 -0.144 0.000 1.001 297 I CA -0.966 60.244 61.300 -0.150 0.000 1.119 297 I CB 1.505 39.452 38.000 -0.089 0.000 1.289 297 I HN 0.487 nan 8.210 nan 0.000 0.438 298 L N 5.620 126.742 121.223 -0.167 0.000 2.365 298 L HA 0.934 5.274 4.340 0.000 0.000 0.273 298 L C -0.233 176.616 176.870 -0.034 0.000 1.000 298 L CA -0.391 54.371 54.840 -0.131 0.000 0.819 298 L CB 1.920 43.813 42.059 -0.276 0.000 1.284 298 L HN 0.807 nan 8.230 nan 0.000 0.418 299 A N 1.720 124.576 122.820 0.060 0.000 2.511 299 A HA 0.834 5.154 4.320 0.000 0.000 0.293 299 A C -1.721 175.918 177.584 0.092 0.000 1.098 299 A CA -0.486 51.598 52.037 0.078 0.000 0.643 299 A CB 1.399 20.463 19.000 0.107 0.000 1.302 299 A HN 0.653 nan 8.150 nan 0.000 0.446 300 C N -0.911 118.431 119.300 0.070 0.000 2.889 300 C HA 0.863 5.323 4.460 0.000 0.000 0.307 300 C C 1.499 176.521 174.990 0.053 0.000 1.251 300 C CA 0.355 59.380 59.018 0.011 0.000 1.593 300 C CB 0.847 28.565 27.740 -0.036 0.000 2.104 300 C HN 2.597 nan 8.230 nan 0.000 0.476 301 G N 2.113 110.917 108.800 0.008 0.000 2.685 301 G HA2 -0.359 3.601 3.960 0.000 0.000 0.329 301 G HA3 -0.359 3.601 3.960 0.000 0.000 0.329 301 G C 1.071 176.010 174.900 0.066 0.000 1.271 301 G CA 1.386 46.492 45.100 0.011 0.000 1.003 301 G HN 0.814 nan 8.290 nan 0.000 0.549 302 T N 0.639 115.195 114.554 0.003 0.000 2.788 302 T HA 0.001 4.351 4.350 0.000 0.000 0.268 302 T C 2.789 177.568 174.700 0.132 0.000 1.044 302 T CA 2.101 64.188 62.100 -0.023 0.000 1.139 302 T CB -0.359 68.460 68.868 -0.082 0.000 0.867 302 T HN 0.423 nan 8.240 nan 0.000 0.454 303 S N 0.133 115.912 115.700 0.132 0.000 2.423 303 S HA -0.048 4.422 4.470 0.000 0.000 0.231 303 S C 1.637 176.318 174.600 0.135 0.000 1.014 303 S CA 0.557 58.839 58.200 0.137 0.000 0.965 303 S CB -0.339 62.910 63.200 0.081 0.000 0.785 303 S HN 0.642 nan 8.310 nan 0.000 0.495 304 Y N 3.148 123.460 120.300 0.021 0.000 2.242 304 Y HA -0.060 4.490 4.550 0.000 0.000 0.291 304 Y C 1.868 177.781 175.900 0.021 0.000 1.137 304 Y CA 1.232 59.335 58.100 0.006 0.000 1.181 304 Y CB -0.423 38.028 38.460 -0.016 0.000 0.989 304 Y HN 0.197 nan 8.280 nan 0.000 0.527 305 N N 0.026 118.718 118.700 -0.013 0.000 2.188 305 N HA -0.175 4.565 4.740 0.000 0.000 0.184 305 N C 2.142 177.681 175.510 0.049 0.000 1.018 305 N CA 1.605 54.614 53.050 -0.069 0.000 0.858 305 N CB -0.671 37.789 38.487 -0.044 0.000 0.989 305 N HN 0.558 nan 8.380 nan 0.000 0.426 306 S N 0.107 115.939 115.700 0.221 0.000 2.368 306 S HA -0.052 4.418 4.470 0.000 0.000 0.225 306 S C 2.204 176.747 174.600 -0.095 0.000 1.030 306 S CA 1.286 59.495 58.200 0.016 0.000 0.999 306 S CB -0.980 62.164 63.200 -0.094 0.000 0.844 306 S HN 0.318 nan 8.310 nan 0.000 0.459 307 G N 2.078 110.826 108.800 -0.088 0.000 2.440 307 G HA2 -0.145 3.815 3.960 0.000 0.000 0.218 307 G HA3 -0.145 3.815 3.960 0.000 0.000 0.218 307 G C 1.555 176.362 174.900 -0.154 0.000 1.154 307 G CA 1.234 46.275 45.100 -0.099 0.000 0.767 307 G HN 0.428 nan 8.290 nan 0.000 0.552 308 M N 0.323 119.754 119.600 -0.281 0.000 2.117 308 M HA -0.036 4.444 4.480 0.000 0.000 0.262 308 M C 2.786 179.028 176.300 -0.096 0.000 1.065 308 M CA 0.801 55.959 55.300 -0.238 0.000 1.114 308 M CB -0.962 31.431 32.600 -0.345 0.000 1.361 308 M HN 0.136 nan 8.290 nan 0.000 0.408 309 V N 0.929 120.728 119.914 -0.192 0.000 2.233 309 V HA -0.278 3.842 4.120 0.000 0.000 0.247 309 V C 2.624 178.405 176.094 -0.522 0.000 1.050 309 V CA 2.280 64.348 62.300 -0.388 0.000 1.010 309 V CB -1.407 30.070 31.823 -0.576 0.000 0.637 309 V HN 0.604 nan 8.190 nan 0.000 0.444 310 S N 0.750 116.236 115.700 -0.357 0.000 2.420 310 S HA -0.323 4.147 4.470 0.000 0.000 0.237 310 S C 2.057 176.721 174.600 0.107 0.000 1.023 310 S CA 1.912 60.054 58.200 -0.096 0.000 0.991 310 S CB -0.697 62.615 63.200 0.187 0.000 0.792 310 S HN 0.618 nan 8.310 nan 0.000 0.488 311 R N -0.107 120.448 120.500 0.092 0.000 2.096 311 R HA -0.105 4.235 4.340 0.000 0.000 0.235 311 R C 1.908 178.229 176.300 0.035 0.000 1.127 311 R CA 1.576 57.737 56.100 0.103 0.000 0.968 311 R CB -0.476 29.790 30.300 -0.057 0.000 0.861 311 R HN 0.562 nan 8.270 nan 0.000 0.440 312 Y N -0.845 119.402 120.300 -0.089 0.000 2.224 312 Y HA -0.248 4.302 4.550 -0.000 0.000 0.289 312 Y C 2.127 178.053 175.900 0.043 0.000 1.146 312 Y CA 1.208 59.269 58.100 -0.065 0.000 1.182 312 Y CB -0.214 38.140 38.460 -0.177 0.000 0.983 312 Y HN 0.167 nan 8.280 nan 0.000 0.524 313 W N -0.961 120.393 121.300 0.091 0.000 2.378 313 W HA -0.165 4.495 4.660 0.000 0.000 0.313 313 W C 2.123 178.581 176.519 -0.101 0.000 1.197 313 W CA 0.812 58.111 57.345 -0.077 0.000 1.304 313 W CB -1.649 27.662 29.460 -0.248 0.000 1.148 313 W HN 0.080 nan 8.180 nan 0.000 0.494 314 F N 1.042 121.130 119.950 0.229 0.000 2.065 314 F HA -0.228 4.299 4.527 0.000 0.000 0.298 314 F C 2.390 178.232 175.800 0.069 0.000 1.112 314 F CA 1.939 60.002 58.000 0.104 0.000 1.212 314 F CB -1.186 37.836 39.000 0.037 0.000 0.975 314 F HN -0.037 nan 8.300 nan 0.000 0.476 315 E N -0.276 120.064 120.200 0.234 0.000 2.072 315 E HA -0.161 4.189 4.350 0.000 0.000 0.191 315 E C 2.354 179.025 176.600 0.119 0.000 0.985 315 E CA 1.705 58.182 56.400 0.130 0.000 0.801 315 E CB -0.349 29.385 29.700 0.057 0.000 0.750 315 E HN 0.453 nan 8.360 nan 0.000 0.452 316 S N 0.362 116.147 115.700 0.143 0.000 2.421 316 S HA 0.021 4.491 4.470 0.000 0.000 0.224 316 S C 2.082 176.750 174.600 0.113 0.000 1.035 316 S CA 0.242 58.520 58.200 0.130 0.000 0.953 316 S CB -0.243 63.054 63.200 0.162 0.000 0.810 316 S HN 0.087 nan 8.310 nan 0.000 0.497 317 L N 0.817 122.112 121.223 0.120 0.000 2.145 317 L HA 0.347 4.687 4.340 0.000 0.000 0.201 317 L C 2.857 179.765 176.870 0.062 0.000 1.075 317 L CA 1.062 55.944 54.840 0.070 0.000 0.773 317 L CB -0.446 41.627 42.059 0.024 0.000 0.936 317 L HN 0.455 nan 8.230 nan 0.000 0.451 318 A N -0.671 122.203 122.820 0.089 0.000 2.267 318 A HA 0.347 4.667 4.320 0.000 0.000 0.213 318 A C 1.629 179.272 177.584 0.099 0.000 1.192 318 A CA 0.588 52.684 52.037 0.098 0.000 0.851 318 A CB -0.195 18.892 19.000 0.146 0.000 0.881 318 A HN 0.480 nan 8.150 nan 0.000 0.494 319 G N -0.442 108.419 108.800 0.101 0.000 2.179 319 G HA2 -0.240 3.720 3.960 0.000 0.000 0.257 319 G HA3 -0.240 3.720 3.960 0.000 0.000 0.257 319 G C 0.011 174.958 174.900 0.078 0.000 1.010 319 G CA 0.583 45.732 45.100 0.081 0.000 0.736 319 G HN 0.494 nan 8.290 nan 0.000 0.513 320 I N 1.047 121.678 120.570 0.102 0.000 2.339 320 I HA 0.290 4.460 4.170 0.000 0.000 0.290 320 I C -2.071 174.055 176.117 0.015 0.000 0.994 320 I CA -2.617 58.719 61.300 0.060 0.000 1.191 320 I CB 1.924 39.965 38.000 0.067 0.000 1.343 320 I HN -0.173 nan 8.210 nan 0.000 0.458 321 P HA -0.048 nan 4.420 nan 0.000 0.263 321 P C -0.880 176.266 177.300 -0.257 0.000 1.195 321 P CA -0.042 63.037 63.100 -0.034 0.000 0.762 321 P CB 0.362 32.129 31.700 0.111 0.000 0.799 322 C N 4.532 123.722 119.300 -0.184 0.000 2.547 322 C HA 0.475 4.935 4.460 0.000 0.000 0.313 322 C C -1.338 173.578 174.990 -0.123 0.000 1.191 322 C CA -0.353 58.504 59.018 -0.268 0.000 1.474 322 C CB 0.854 28.520 27.740 -0.124 0.000 2.081 322 C HN 0.524 nan 8.230 nan 0.000 0.476 323 D N 3.817 124.155 120.400 -0.104 0.000 2.649 323 D HA 0.562 5.202 4.640 0.000 0.000 0.249 323 D C -1.093 175.213 176.300 0.009 0.000 1.112 323 D CA -0.028 53.995 54.000 0.039 0.000 0.850 323 D CB 2.392 43.306 40.800 0.190 0.000 1.399 323 D HN 0.403 nan 8.370 nan 0.000 0.503 324 V N 1.597 121.531 119.914 0.033 0.000 2.588 324 V HA 0.493 4.613 4.120 0.000 0.000 0.304 324 V C -0.195 176.015 176.094 0.194 0.000 1.042 324 V CA -0.718 61.604 62.300 0.037 0.000 0.877 324 V CB 2.296 34.069 31.823 -0.083 0.000 0.996 324 V HN 0.500 nan 8.190 nan 0.000 0.425 325 E N 3.088 123.439 120.200 0.252 0.000 2.331 325 E HA 0.488 4.838 4.350 0.000 0.000 0.275 325 E C -1.097 175.629 176.600 0.209 0.000 0.895 325 E CA -0.901 55.669 56.400 0.283 0.000 0.753 325 E CB 1.804 31.627 29.700 0.205 0.000 1.216 325 E HN 0.540 nan 8.360 nan 0.000 0.434 326 I N 3.861 124.398 120.570 -0.055 0.000 2.845 326 I HA -0.093 4.077 4.170 0.000 0.000 0.290 326 I C 1.548 177.646 176.117 -0.032 0.000 1.202 326 I CA 0.777 61.911 61.300 -0.277 0.000 1.406 326 I CB -0.189 37.630 38.000 -0.302 0.000 1.383 326 I HN 0.811 nan 8.210 nan 0.000 0.549 327 A N 6.031 128.840 122.820 -0.018 0.000 1.917 327 A HA -0.231 4.089 4.320 0.000 0.000 0.219 327 A C 2.256 179.880 177.584 0.066 0.000 1.182 327 A CA 2.362 54.413 52.037 0.024 0.000 0.633 327 A CB -0.604 18.389 19.000 -0.012 0.000 0.819 327 A HN 0.821 nan 8.150 nan 0.000 0.448 328 S N -0.756 114.971 115.700 0.045 0.000 2.406 328 S HA -0.095 4.375 4.470 0.000 0.000 0.228 328 S C 1.572 176.259 174.600 0.145 0.000 1.020 328 S CA 1.114 59.374 58.200 0.100 0.000 0.965 328 S CB -0.255 63.010 63.200 0.108 0.000 0.798 328 S HN 0.554 nan 8.310 nan 0.000 0.488 329 E N 0.747 121.011 120.200 0.106 0.000 2.152 329 E HA 0.022 4.372 4.350 0.000 0.000 0.192 329 E C 1.579 178.251 176.600 0.120 0.000 0.983 329 E CA 0.644 57.114 56.400 0.116 0.000 0.818 329 E CB -0.373 29.373 29.700 0.076 0.000 0.758 329 E HN 0.715 nan 8.360 nan 0.000 0.467 330 F N 1.924 121.865 119.950 -0.014 0.000 2.163 330 F HA -0.092 4.435 4.527 0.000 0.000 0.297 330 F C 2.464 178.215 175.800 -0.082 0.000 1.094 330 F CA 1.038 59.026 58.000 -0.020 0.000 1.290 330 F CB 0.054 39.044 39.000 -0.015 0.000 1.017 330 F HN -0.123 nan 8.300 nan 0.000 0.483 331 R N 0.137 120.611 120.500 -0.043 0.000 2.133 331 R HA -0.230 4.110 4.340 0.000 0.000 0.247 331 R C 0.734 176.667 176.300 -0.613 0.000 1.151 331 R CA 2.090 57.951 56.100 -0.399 0.000 0.971 331 R CB -1.173 28.719 30.300 -0.680 0.000 0.866 331 R HN 0.462 nan 8.270 nan 0.000 0.447 332 Y N 0.022 120.287 120.300 -0.058 0.000 2.660 332 Y HA 0.329 4.879 4.550 0.000 0.000 0.254 332 Y C -0.070 175.782 175.900 -0.079 0.000 1.176 332 Y CA -0.570 57.496 58.100 -0.056 0.000 1.195 332 Y CB 0.112 38.560 38.460 -0.019 0.000 1.190 332 Y HN 0.020 nan 8.280 nan 0.000 0.535 333 R N -0.245 120.221 120.500 -0.057 0.000 2.832 333 R HA 0.523 4.863 4.340 0.000 0.000 0.271 333 R C -0.806 175.401 176.300 -0.154 0.000 0.996 333 R CA -1.119 54.938 56.100 -0.071 0.000 0.977 333 R CB 1.656 31.922 30.300 -0.057 0.000 1.168 333 R HN -0.054 nan 8.270 nan 0.000 0.482 334 K N 1.969 122.308 120.400 -0.102 0.000 2.285 334 K HA 0.139 4.459 4.320 0.000 0.000 0.286 334 K C -0.816 175.712 176.600 -0.120 0.000 1.072 334 K CA -0.333 55.885 56.287 -0.115 0.000 0.913 334 K CB 0.853 33.315 32.500 -0.063 0.000 1.067 334 K HN 0.789 nan 8.250 nan 0.000 0.479 335 S N 2.768 118.368 115.700 -0.166 0.000 2.593 335 S HA 0.456 4.926 4.470 0.000 0.000 0.297 335 S C 0.985 175.548 174.600 -0.062 0.000 1.112 335 S CA -0.591 57.541 58.200 -0.113 0.000 1.043 335 S CB 1.835 64.942 63.200 -0.155 0.000 1.054 335 S HN 0.634 nan 8.310 nan 0.000 0.516 336 A N 1.944 124.744 122.820 -0.033 0.000 1.873 336 A HA 0.376 4.696 4.320 0.000 0.000 0.215 336 A C 0.814 178.358 177.584 -0.068 0.000 1.186 336 A CA 0.915 52.925 52.037 -0.045 0.000 0.616 336 A CB -1.305 17.672 19.000 -0.039 0.000 0.823 336 A HN 1.729 nan 8.150 nan 0.000 0.442 337 V N -0.876 119.000 119.914 -0.062 0.000 3.511 337 V HA -0.187 3.933 4.120 0.000 0.000 0.502 337 V C -0.048 175.922 176.094 -0.207 0.000 0.682 337 V CA 0.832 63.043 62.300 -0.148 0.000 2.051 337 V CB -1.095 30.588 31.823 -0.234 0.000 2.482 337 V HN 0.835 nan 8.190 nan 0.000 0.508 338 R N 3.306 123.627 120.500 -0.298 0.000 2.607 338 R HA 0.672 5.012 4.340 0.000 0.000 0.261 338 R C 0.381 176.554 176.300 -0.212 0.000 1.051 338 R CA -0.941 54.987 56.100 -0.287 0.000 1.110 338 R CB 0.632 30.622 30.300 -0.516 0.000 1.158 338 R HN 0.731 nan 8.270 nan 0.000 0.543 339 R N 2.000 122.421 120.500 -0.132 0.000 2.489 339 R HA -0.026 4.314 4.340 0.000 0.000 0.287 339 R C -0.566 175.712 176.300 -0.035 0.000 1.053 339 R CA 0.225 56.278 56.100 -0.078 0.000 1.036 339 R CB 0.190 30.461 30.300 -0.048 0.000 0.966 339 R HN 0.631 nan 8.270 nan 0.000 0.432 340 N N 1.332 120.016 118.700 -0.027 0.000 2.727 340 N HA -0.195 4.545 4.740 0.000 0.000 0.251 340 N C -1.176 174.373 175.510 0.066 0.000 1.040 340 N CA 1.161 54.220 53.050 0.016 0.000 0.712 340 N CB -0.846 37.654 38.487 0.021 0.000 0.912 340 N HN 0.470 nan 8.380 nan 0.000 0.545 341 S N 0.192 115.940 115.700 0.079 0.000 2.480 341 S HA 0.553 5.023 4.470 0.000 0.000 0.286 341 S C -0.133 174.639 174.600 0.288 0.000 1.180 341 S CA -0.813 57.526 58.200 0.232 0.000 1.075 341 S CB 0.978 64.309 63.200 0.218 0.000 0.996 341 S HN 0.324 nan 8.310 nan 0.000 0.487 342 L N 5.788 127.123 121.223 0.186 0.000 2.292 342 L HA 0.671 5.011 4.340 0.000 0.000 0.284 342 L C -0.365 176.517 176.870 0.020 0.000 1.065 342 L CA -0.299 54.596 54.840 0.091 0.000 0.806 342 L CB 1.201 43.249 42.059 -0.018 0.000 1.175 342 L HN 0.806 nan 8.230 nan 0.000 0.431 343 M N 6.738 126.274 119.600 -0.107 0.000 2.108 343 M HA 0.519 4.999 4.480 0.000 0.000 0.354 343 M C -1.402 174.754 176.300 -0.239 0.000 1.229 343 M CA 0.286 55.371 55.300 -0.358 0.000 1.081 343 M CB 0.239 32.435 32.600 -0.674 0.000 1.606 343 M HN 0.479 nan 8.290 nan 0.000 0.467 344 I N 4.894 125.326 120.570 -0.230 0.000 2.465 344 I HA 0.468 4.638 4.170 0.000 0.000 0.291 344 I C -0.313 175.710 176.117 -0.157 0.000 1.014 344 I CA -0.769 60.435 61.300 -0.160 0.000 1.093 344 I CB 2.192 40.116 38.000 -0.127 0.000 1.267 344 I HN 0.767 nan 8.210 nan 0.000 0.431 345 T N 4.665 119.147 114.554 -0.121 0.000 2.855 345 T HA 0.764 5.114 4.350 0.000 0.000 0.281 345 T C -0.605 174.062 174.700 -0.056 0.000 1.007 345 T CA -0.805 61.237 62.100 -0.098 0.000 1.009 345 T CB 1.820 70.627 68.868 -0.100 0.000 0.983 345 T HN 0.339 nan 8.240 nan 0.000 0.455 346 L N 2.110 123.313 121.223 -0.033 0.000 2.356 346 L HA 0.774 5.114 4.340 0.000 0.000 0.277 346 L C -0.135 176.733 176.870 -0.003 0.000 0.996 346 L CA -0.723 54.111 54.840 -0.010 0.000 0.822 346 L CB 2.058 44.123 42.059 0.009 0.000 1.256 346 L HN 0.906 nan 8.230 nan 0.000 0.413 347 S N 1.307 117.003 115.700 -0.007 0.000 2.582 347 S HA 0.115 4.585 4.470 0.000 0.000 0.287 347 S C 0.042 174.635 174.600 -0.011 0.000 1.146 347 S CA -0.479 57.717 58.200 -0.007 0.000 0.941 347 S CB 1.861 65.049 63.200 -0.019 0.000 1.115 347 S HN 0.708 nan 8.310 nan 0.000 0.458 348 Q N 2.805 122.602 119.800 -0.005 0.000 2.016 348 Q HA -0.078 4.262 4.340 0.000 0.000 0.200 348 Q C 1.827 177.806 176.000 -0.036 0.000 0.978 348 Q CA 2.724 58.517 55.803 -0.016 0.000 0.833 348 Q CB -0.486 28.247 28.738 -0.008 0.000 0.895 348 Q HN 0.872 nan 8.270 nan 0.000 0.427 349 S N -1.640 114.044 115.700 -0.027 0.000 2.446 349 S HA 0.128 4.598 4.470 0.000 0.000 0.225 349 S C 1.486 176.066 174.600 -0.032 0.000 1.016 349 S CA 0.952 59.130 58.200 -0.037 0.000 0.943 349 S CB -0.036 63.186 63.200 0.037 0.000 0.786 349 S HN 0.616 nan 8.310 nan 0.000 0.508 350 G N 1.199 109.986 108.800 -0.022 0.000 2.153 350 G HA2 -0.225 3.735 3.960 0.000 0.000 0.252 350 G HA3 -0.225 3.735 3.960 0.000 0.000 0.252 350 G C 0.423 175.320 174.900 -0.004 0.000 0.994 350 G CA 0.564 45.650 45.100 -0.024 0.000 0.698 350 G HN 0.550 nan 8.290 nan 0.000 0.521 351 E N -0.296 119.918 120.200 0.023 0.000 2.641 351 E HA 0.088 4.438 4.350 0.000 0.000 0.224 351 E C 0.526 177.130 176.600 0.006 0.000 0.951 351 E CA 0.168 56.594 56.400 0.043 0.000 1.102 351 E CB 0.497 30.281 29.700 0.139 0.000 1.091 351 E HN 0.387 nan 8.360 nan 0.000 0.507 352 T N 1.605 116.151 114.554 -0.013 0.000 2.817 352 T HA 0.174 4.524 4.350 0.000 0.000 0.295 352 T C 1.377 176.058 174.700 -0.032 0.000 0.958 352 T CA 0.457 62.534 62.100 -0.039 0.000 1.157 352 T CB 1.417 70.260 68.868 -0.040 0.000 0.898 352 T HN 0.115 nan 8.240 nan 0.000 0.536 353 A N 3.681 126.481 122.820 -0.035 0.000 1.902 353 A HA -0.107 4.213 4.320 0.000 0.000 0.217 353 A C 2.087 179.670 177.584 -0.001 0.000 1.181 353 A CA 1.282 53.312 52.037 -0.011 0.000 0.623 353 A CB -0.341 18.662 19.000 0.005 0.000 0.818 353 A HN 0.765 nan 8.150 nan 0.000 0.443 354 D N -0.556 119.842 120.400 -0.002 0.000 2.117 354 D HA -0.092 4.548 4.640 0.000 0.000 0.197 354 D C 1.988 178.281 176.300 -0.011 0.000 0.987 354 D CA 1.876 55.881 54.000 0.009 0.000 0.829 354 D CB -0.680 40.124 40.800 0.007 0.000 0.961 354 D HN 0.394 nan 8.370 nan 0.000 0.460 355 T N 1.348 115.887 114.554 -0.024 0.000 2.777 355 T HA -0.082 4.268 4.350 0.000 0.000 0.266 355 T C 1.876 176.548 174.700 -0.046 0.000 1.040 355 T CA 0.244 62.321 62.100 -0.039 0.000 1.141 355 T CB -0.106 68.739 68.868 -0.037 0.000 0.868 355 T HN -0.008 nan 8.240 nan 0.000 0.444 356 L N 1.419 122.621 121.223 -0.035 0.000 2.012 356 L HA 0.016 4.356 4.340 0.000 0.000 0.210 356 L C 2.816 179.667 176.870 -0.032 0.000 1.073 356 L CA 1.719 56.538 54.840 -0.035 0.000 0.748 356 L CB -1.590 40.455 42.059 -0.025 0.000 0.891 356 L HN 0.255 nan 8.230 nan 0.000 0.431 357 A N -0.800 122.005 122.820 -0.024 0.000 1.972 357 A HA -0.068 4.252 4.320 0.000 0.000 0.219 357 A C 2.408 179.972 177.584 -0.033 0.000 1.169 357 A CA 1.497 53.515 52.037 -0.031 0.000 0.635 357 A CB -1.127 17.852 19.000 -0.035 0.000 0.810 357 A HN 0.449 nan 8.150 nan 0.000 0.446 358 G N -0.115 108.674 108.800 -0.019 0.000 2.418 358 G HA2 -0.133 3.827 3.960 0.000 0.000 0.217 358 G HA3 -0.133 3.827 3.960 0.000 0.000 0.217 358 G C 1.481 176.371 174.900 -0.016 0.000 1.158 358 G CA 1.219 46.337 45.100 0.030 0.000 0.771 358 G HN 0.500 nan 8.290 nan 0.000 0.545 359 L N 0.630 121.813 121.223 -0.067 0.000 2.005 359 L HA 0.099 4.439 4.340 0.000 0.000 0.207 359 L C 2.895 179.740 176.870 -0.042 0.000 1.072 359 L CA 1.716 56.501 54.840 -0.092 0.000 0.744 359 L CB -0.657 41.347 42.059 -0.091 0.000 0.895 359 L HN 0.141 nan 8.230 nan 0.000 0.433 360 R N -0.728 119.758 120.500 -0.023 0.000 2.091 360 R HA -0.189 4.151 4.340 0.000 0.000 0.238 360 R C 2.222 178.534 176.300 0.020 0.000 1.136 360 R CA 1.727 57.823 56.100 -0.005 0.000 0.959 360 R CB -0.907 29.387 30.300 -0.008 0.000 0.856 360 R HN 0.377 nan 8.270 nan 0.000 0.437 361 L N 1.157 122.399 121.223 0.031 0.000 2.042 361 L HA -0.199 4.141 4.340 0.000 0.000 0.210 361 L C 2.269 179.219 176.870 0.132 0.000 1.076 361 L CA 2.289 57.167 54.840 0.063 0.000 0.749 361 L CB -0.656 41.434 42.059 0.051 0.000 0.893 361 L HN 0.243 nan 8.230 nan 0.000 0.432 362 S N -1.084 114.704 115.700 0.148 0.000 2.440 362 S HA -0.265 4.205 4.470 0.000 0.000 0.240 362 S C 1.945 176.665 174.600 0.200 0.000 1.014 362 S CA 1.414 59.725 58.200 0.185 0.000 0.980 362 S CB -0.734 62.358 63.200 -0.180 0.000 0.775 362 S HN 0.614 nan 8.310 nan 0.000 0.499 363 K N 0.831 121.292 120.400 0.102 0.000 2.283 363 K HA 0.011 4.331 4.320 0.000 0.000 0.202 363 K C 1.713 178.369 176.600 0.094 0.000 1.048 363 K CA 1.327 57.666 56.287 0.086 0.000 0.948 363 K CB -0.087 32.438 32.500 0.042 0.000 0.742 363 K HN 0.618 nan 8.250 nan 0.000 0.458 364 E N 0.105 120.364 120.200 0.099 0.000 2.479 364 E HA 0.052 4.402 4.350 0.000 0.000 0.193 364 E C 1.038 177.683 176.600 0.075 0.000 1.049 364 E CA 0.127 56.569 56.400 0.071 0.000 0.870 364 E CB 0.391 30.122 29.700 0.052 0.000 0.944 364 E HN 0.204 nan 8.360 nan 0.000 0.492 365 L N -0.672 120.629 121.223 0.130 0.000 2.731 365 L HA 0.282 4.622 4.340 0.000 0.000 0.240 365 L C 0.897 177.752 176.870 -0.025 0.000 1.120 365 L CA 0.026 54.914 54.840 0.080 0.000 0.913 365 L CB 0.569 42.743 42.059 0.193 0.000 1.213 365 L HN 0.164 nan 8.230 nan 0.000 0.515 366 G N 0.341 109.170 108.800 0.048 0.000 2.324 366 G HA2 -0.302 3.658 3.960 0.000 0.000 0.292 366 G HA3 -0.302 3.658 3.960 0.000 0.000 0.292 366 G C -0.213 174.634 174.900 -0.089 0.000 1.079 366 G CA -0.217 44.879 45.100 -0.006 0.000 1.026 366 G HN 0.167 nan 8.290 nan 0.000 0.506 367 Y N -1.214 119.097 120.300 0.019 0.000 2.220 367 Y HA 0.454 5.004 4.550 0.000 0.000 0.347 367 Y C 2.147 178.051 175.900 0.007 0.000 1.311 367 Y CA -0.065 58.044 58.100 0.015 0.000 1.593 367 Y CB 0.386 38.853 38.460 0.012 0.000 1.419 367 Y HN 0.069 nan 8.280 nan 0.000 0.614 368 L N 0.232 121.557 121.223 0.170 0.000 2.270 368 L HA 0.212 4.552 4.340 0.000 0.000 0.210 368 L C 0.877 177.795 176.870 0.080 0.000 1.104 368 L CA 0.944 55.837 54.840 0.089 0.000 0.804 368 L CB -0.297 41.801 42.059 0.065 0.000 0.937 368 L HN 0.778 nan 8.230 nan 0.000 0.450 369 G N -1.380 107.476 108.800 0.094 0.000 2.368 369 G HA2 0.369 4.329 3.960 0.000 0.000 0.293 369 G HA3 0.369 4.329 3.960 0.000 0.000 0.293 369 G C -1.539 173.363 174.900 0.004 0.000 1.467 369 G CA -0.281 44.844 45.100 0.042 0.000 0.804 369 G HN -0.086 nan 8.290 nan 0.000 0.535 370 S N -0.809 114.871 115.700 -0.033 0.000 2.472 370 S HA 0.756 5.226 4.470 0.000 0.000 0.303 370 S C -0.722 173.839 174.600 -0.065 0.000 1.099 370 S CA -0.738 57.413 58.200 -0.082 0.000 1.077 370 S CB 1.952 65.093 63.200 -0.098 0.000 1.031 370 S HN 1.299 nan 8.310 nan 0.000 0.487 371 L N 2.535 123.712 121.223 -0.076 0.000 2.329 371 L HA 0.849 5.189 4.340 0.000 0.000 0.279 371 L C -0.415 176.416 176.870 -0.065 0.000 1.014 371 L CA -0.538 54.268 54.840 -0.057 0.000 0.814 371 L CB 1.488 43.521 42.059 -0.043 0.000 1.257 371 L HN 0.954 nan 8.230 nan 0.000 0.424 372 A N 6.344 129.132 122.820 -0.053 0.000 2.271 372 A HA 0.677 4.997 4.320 0.000 0.000 0.317 372 A C -0.612 176.950 177.584 -0.037 0.000 1.245 372 A CA -0.443 51.563 52.037 -0.052 0.000 0.857 372 A CB 0.221 19.188 19.000 -0.055 0.000 1.175 372 A HN 0.699 nan 8.150 nan 0.000 0.512 373 I N 2.606 123.157 120.570 -0.030 0.000 2.291 373 I HA 0.299 4.469 4.170 0.000 0.000 0.290 373 I C -0.154 175.948 176.117 -0.025 0.000 1.050 373 I CA -0.120 61.167 61.300 -0.021 0.000 1.245 373 I CB 0.728 38.725 38.000 -0.006 0.000 1.405 373 I HN 0.641 nan 8.210 nan 0.000 0.478 374 C N 5.057 124.339 119.300 -0.030 0.000 2.889 374 C HA 0.415 4.875 4.460 0.000 0.000 0.307 374 C C 0.981 175.950 174.990 -0.036 0.000 1.251 374 C CA -0.459 58.539 59.018 -0.033 0.000 1.593 374 C CB 2.009 29.725 27.740 -0.040 0.000 2.104 374 C HN 0.846 nan 8.230 nan 0.000 0.476 375 N N 0.587 119.263 118.700 -0.041 0.000 2.184 375 N HA 0.254 4.994 4.740 0.000 0.000 0.206 375 N C -0.872 174.601 175.510 -0.061 0.000 1.151 375 N CA 0.390 53.411 53.050 -0.048 0.000 0.878 375 N CB 0.523 38.983 38.487 -0.045 0.000 1.014 375 N HN 0.439 nan 8.380 nan 0.000 0.512 376 V N 3.330 123.204 119.914 -0.066 0.000 2.349 376 V HA 0.450 4.570 4.120 0.000 0.000 0.284 376 V C -2.201 173.857 176.094 -0.059 0.000 1.014 376 V CA -1.706 60.547 62.300 -0.078 0.000 0.826 376 V CB 1.411 33.164 31.823 -0.116 0.000 1.009 376 V HN 0.078 nan 8.190 nan 0.000 0.431 377 P HA 0.166 nan 4.420 nan 0.000 0.270 377 P C 1.024 178.305 177.300 -0.031 0.000 1.223 377 P CA 1.050 64.130 63.100 -0.034 0.000 0.785 377 P CB 0.844 32.532 31.700 -0.021 0.000 0.923 378 G N 0.630 109.410 108.800 -0.034 0.000 2.189 378 G HA2 -0.269 3.691 3.960 0.000 0.000 0.267 378 G HA3 -0.269 3.691 3.960 0.000 0.000 0.267 378 G C 0.423 175.290 174.900 -0.055 0.000 0.975 378 G CA 0.588 45.667 45.100 -0.036 0.000 0.644 378 G HN 0.922 nan 8.290 nan 0.000 0.537 379 S N -0.478 115.188 115.700 -0.056 0.000 2.608 379 S HA 0.632 5.102 4.470 0.000 0.000 0.261 379 S C 1.565 176.125 174.600 -0.067 0.000 1.314 379 S CA 0.708 58.880 58.200 -0.047 0.000 0.992 379 S CB 1.560 64.734 63.200 -0.044 0.000 0.935 379 S HN 0.549 nan 8.310 nan 0.000 0.564 380 S N 0.454 116.129 115.700 -0.042 0.000 2.359 380 S HA -0.103 4.367 4.470 0.000 0.000 0.223 380 S C 1.773 176.329 174.600 -0.074 0.000 1.039 380 S CA 1.459 59.623 58.200 -0.059 0.000 1.042 380 S CB -0.824 62.364 63.200 -0.021 0.000 0.915 380 S HN 0.607 nan 8.310 nan 0.000 0.439 381 L N 1.134 122.323 121.223 -0.057 0.000 2.127 381 L HA -0.122 4.218 4.340 0.000 0.000 0.211 381 L C 2.191 179.018 176.870 -0.072 0.000 1.089 381 L CA 0.923 55.726 54.840 -0.061 0.000 0.757 381 L CB -0.380 41.648 42.059 -0.052 0.000 0.899 381 L HN 0.227 nan 8.230 nan 0.000 0.434 382 V N -0.349 119.519 119.914 -0.076 0.000 2.307 382 V HA -0.258 3.862 4.120 0.000 0.000 0.245 382 V C 2.481 178.514 176.094 -0.103 0.000 1.045 382 V CA 1.683 63.935 62.300 -0.080 0.000 1.024 382 V CB -0.637 31.144 31.823 -0.071 0.000 0.651 382 V HN 0.452 nan 8.190 nan 0.000 0.449 383 R N 0.253 120.666 120.500 -0.146 0.000 2.127 383 R HA -0.166 4.174 4.340 0.000 0.000 0.238 383 R C 1.997 178.205 176.300 -0.153 0.000 1.134 383 R CA 1.615 57.593 56.100 -0.204 0.000 0.975 383 R CB -0.287 29.791 30.300 -0.369 0.000 0.865 383 R HN 0.613 nan 8.270 nan 0.000 0.447 384 E N 0.229 120.357 120.200 -0.120 0.000 2.474 384 E HA 0.082 4.432 4.350 0.000 0.000 0.194 384 E C -0.000 176.558 176.600 -0.070 0.000 1.041 384 E CA -0.099 56.248 56.400 -0.088 0.000 0.874 384 E CB 0.569 30.224 29.700 -0.075 0.000 0.914 384 E HN 0.103 nan 8.360 nan 0.000 0.498 385 S N 0.662 116.319 115.700 -0.072 0.000 2.693 385 S HA 0.080 4.550 4.470 0.000 0.000 0.276 385 S C 0.552 175.121 174.600 -0.051 0.000 1.192 385 S CA -0.777 57.385 58.200 -0.063 0.000 0.994 385 S CB 1.185 64.346 63.200 -0.065 0.000 1.012 385 S HN 0.073 nan 8.310 nan 0.000 0.550 386 D N 0.368 120.742 120.400 -0.042 0.000 2.103 386 D HA 0.115 4.756 4.640 0.000 0.000 0.199 386 D C 0.234 176.517 176.300 -0.030 0.000 0.978 386 D CA 1.196 55.178 54.000 -0.030 0.000 0.829 386 D CB 0.097 40.886 40.800 -0.019 0.000 0.981 386 D HN 0.268 nan 8.370 nan 0.000 0.464 387 L N -0.235 120.968 121.223 -0.032 0.000 2.370 387 L HA 0.654 4.994 4.340 0.000 0.000 0.266 387 L C -0.754 176.096 176.870 -0.033 0.000 1.002 387 L CA -0.905 53.919 54.840 -0.028 0.000 0.818 387 L CB 2.432 44.478 42.059 -0.021 0.000 1.325 387 L HN -0.169 nan 8.230 nan 0.000 0.418 388 A N 3.062 125.865 122.820 -0.030 0.000 2.422 388 A HA 0.820 5.140 4.320 0.000 0.000 0.302 388 A C -1.319 176.250 177.584 -0.024 0.000 1.041 388 A CA -0.420 51.598 52.037 -0.031 0.000 0.708 388 A CB 1.470 20.448 19.000 -0.037 0.000 1.257 388 A HN 0.633 nan 8.150 nan 0.000 0.414 389 L N 3.478 124.687 121.223 -0.023 0.000 2.316 389 L HA 0.368 4.708 4.340 0.000 0.000 0.280 389 L C -0.571 176.285 176.870 -0.024 0.000 1.006 389 L CA -0.640 54.189 54.840 -0.019 0.000 0.836 389 L CB 1.464 43.516 42.059 -0.012 0.000 1.221 389 L HN 0.626 nan 8.230 nan 0.000 0.418 390 M N 1.809 121.394 119.600 -0.026 0.000 2.188 390 M HA 0.108 4.588 4.480 0.000 0.000 0.354 390 M C 1.519 177.801 176.300 -0.030 0.000 1.342 390 M CA -0.114 55.169 55.300 -0.029 0.000 1.117 390 M CB 0.726 33.309 32.600 -0.029 0.000 1.670 390 M HN 0.621 nan 8.290 nan 0.000 0.466 391 T N -0.922 113.613 114.554 -0.032 0.000 3.007 391 T HA -0.086 4.264 4.350 0.000 0.000 0.270 391 T C 0.721 175.400 174.700 -0.035 0.000 1.107 391 T CA 0.630 62.710 62.100 -0.034 0.000 1.118 391 T CB -0.318 68.529 68.868 -0.034 0.000 0.889 391 T HN 0.701 nan 8.240 nan 0.000 0.506 392 N N 0.927 119.606 118.700 -0.036 0.000 2.721 392 N HA -0.192 4.548 4.740 0.000 0.000 0.249 392 N C 0.753 176.241 175.510 -0.036 0.000 1.072 392 N CA 0.778 53.807 53.050 -0.035 0.000 0.710 392 N CB -1.416 37.052 38.487 -0.031 0.000 0.993 392 N HN 0.765 nan 8.380 nan 0.000 0.547 393 A N -0.265 122.532 122.820 -0.039 0.000 2.208 393 A HA 0.473 4.793 4.320 0.000 0.000 0.209 393 A C 1.385 178.944 177.584 -0.042 0.000 1.161 393 A CA 1.310 53.325 52.037 -0.038 0.000 0.782 393 A CB 0.002 18.980 19.000 -0.036 0.000 0.816 393 A HN 1.300 nan 8.150 nan 0.000 0.477 394 G N -1.456 107.314 108.800 -0.049 0.000 2.730 394 G HA2 -0.061 3.899 3.960 0.000 0.000 0.686 394 G HA3 -0.061 3.899 3.960 0.000 0.000 0.686 394 G C -0.178 174.678 174.900 -0.073 0.000 1.343 394 G CA -0.496 44.569 45.100 -0.059 0.000 0.826 394 G HN 0.645 nan 8.290 nan 0.000 0.582 395 T N 1.047 115.543 114.554 -0.098 0.000 2.905 395 T HA 0.318 4.668 4.350 0.000 0.000 0.299 395 T C 0.635 175.282 174.700 -0.090 0.000 1.024 395 T CA 1.212 63.241 62.100 -0.119 0.000 1.151 395 T CB 0.774 69.535 68.868 -0.179 0.000 0.987 395 T HN 0.635 nan 8.240 nan 0.000 0.535 396 E N 3.158 123.303 120.200 -0.092 0.000 2.129 396 E HA 0.253 4.603 4.350 0.000 0.000 0.268 396 E C 0.432 176.974 176.600 -0.097 0.000 0.900 396 E CA -0.637 55.721 56.400 -0.070 0.000 0.755 396 E CB 0.415 30.085 29.700 -0.050 0.000 1.117 396 E HN 0.421 nan 8.360 nan 0.000 0.410 397 I N 2.839 123.331 120.570 -0.130 0.000 2.810 397 I HA 0.113 4.283 4.170 0.000 0.000 0.262 397 I C 1.376 177.413 176.117 -0.133 0.000 1.131 397 I CA 0.507 61.662 61.300 -0.241 0.000 1.453 397 I CB -0.940 36.633 38.000 -0.711 0.000 1.161 397 I HN 0.522 nan 8.210 nan 0.000 0.444 398 G N 0.940 109.717 108.800 -0.037 0.000 2.432 398 G HA2 0.265 4.225 3.960 0.000 0.000 0.239 398 G HA3 0.265 4.225 3.960 0.000 0.000 0.239 398 G C 1.105 176.013 174.900 0.014 0.000 1.291 398 G CA -0.301 44.812 45.100 0.022 0.000 0.863 398 G HN 0.004 nan 8.290 nan 0.000 0.560 399 V N 2.575 122.514 119.914 0.040 0.000 2.407 399 V HA -0.108 4.012 4.120 0.000 0.000 0.248 399 V C 2.281 178.384 176.094 0.015 0.000 1.055 399 V CA 1.974 64.305 62.300 0.053 0.000 1.049 399 V CB -0.750 31.140 31.823 0.112 0.000 0.662 399 V HN 0.870 nan 8.190 nan 0.000 0.455 400 A N 0.521 123.344 122.820 0.005 0.000 2.410 400 A HA 0.351 4.671 4.320 0.000 0.000 0.292 400 A C 0.661 178.223 177.584 -0.036 0.000 1.232 400 A CA 0.303 52.323 52.037 -0.028 0.000 0.893 400 A CB -0.019 18.959 19.000 -0.037 0.000 1.131 400 A HN 0.304 nan 8.150 nan 0.000 0.530 401 S N 2.160 117.837 115.700 -0.038 0.000 2.575 401 S HA 0.231 4.701 4.470 0.000 0.000 0.295 401 S C 1.435 176.022 174.600 -0.022 0.000 1.267 401 S CA 0.633 58.822 58.200 -0.018 0.000 1.074 401 S CB 0.110 63.312 63.200 0.004 0.000 0.829 401 S HN 1.118 nan 8.310 nan 0.000 0.497 402 T N 2.628 117.181 114.554 -0.002 0.000 3.400 402 T HA 0.174 4.524 4.350 0.000 0.000 0.228 402 T C 1.607 176.337 174.700 0.051 0.000 0.992 402 T CA 0.110 62.214 62.100 0.007 0.000 1.222 402 T CB -0.596 68.240 68.868 -0.052 0.000 1.236 402 T HN 0.639 nan 8.240 nan 0.000 0.357 403 K N 2.202 122.604 120.400 0.003 0.000 2.211 403 K HA 0.163 4.483 4.320 0.000 0.000 0.204 403 K C 2.439 179.048 176.600 0.015 0.000 1.047 403 K CA 1.346 57.632 56.287 -0.002 0.000 0.935 403 K CB -0.661 31.822 32.500 -0.029 0.000 0.728 403 K HN 0.400 nan 8.250 nan 0.000 0.452 404 A N 1.348 124.185 122.820 0.029 0.000 1.902 404 A HA -0.122 4.198 4.320 0.000 0.000 0.217 404 A C 1.981 179.610 177.584 0.075 0.000 1.181 404 A CA 1.186 53.244 52.037 0.034 0.000 0.623 404 A CB -0.720 18.297 19.000 0.030 0.000 0.818 404 A HN 0.478 nan 8.150 nan 0.000 0.443 405 F N 1.923 121.851 119.950 -0.038 0.000 2.113 405 F HA -0.158 4.369 4.527 0.000 0.000 0.297 405 F C 2.699 178.491 175.800 -0.014 0.000 1.103 405 F CA 2.385 60.366 58.000 -0.032 0.000 1.248 405 F CB -0.663 38.309 39.000 -0.047 0.000 0.999 405 F HN 0.325 nan 8.300 nan 0.000 0.475 406 T N -2.955 111.575 114.554 -0.039 0.000 2.942 406 T HA -0.118 4.232 4.350 0.000 0.000 0.265 406 T C 1.954 176.585 174.700 -0.115 0.000 1.062 406 T CA 1.387 63.407 62.100 -0.134 0.000 1.139 406 T CB -1.319 67.542 68.868 -0.012 0.000 0.883 406 T HN 0.427 nan 8.240 nan 0.000 0.468 407 T N -0.173 114.339 114.554 -0.071 0.000 2.904 407 T HA -0.045 4.305 4.350 0.000 0.000 0.267 407 T C 2.087 176.743 174.700 -0.073 0.000 1.059 407 T CA 0.899 62.962 62.100 -0.062 0.000 1.137 407 T CB -0.492 68.350 68.868 -0.043 0.000 0.879 407 T HN 0.405 nan 8.240 nan 0.000 0.467 408 Q N 0.532 120.278 119.800 -0.092 0.000 2.050 408 Q HA 0.057 4.397 4.340 0.000 0.000 0.202 408 Q C 2.363 178.305 176.000 -0.097 0.000 0.980 408 Q CA 1.418 57.169 55.803 -0.086 0.000 0.840 408 Q CB -0.366 28.316 28.738 -0.094 0.000 0.898 408 Q HN 0.525 nan 8.270 nan 0.000 0.424 409 L N -0.313 120.797 121.223 -0.187 0.000 2.131 409 L HA -0.187 4.153 4.340 0.000 0.000 0.210 409 L C 2.380 179.263 176.870 0.021 0.000 1.092 409 L CA 1.050 55.856 54.840 -0.056 0.000 0.759 409 L CB -0.413 41.548 42.059 -0.163 0.000 0.903 409 L HN 0.280 nan 8.230 nan 0.000 0.435 410 T N -0.691 113.828 114.554 -0.059 0.000 2.674 410 T HA -0.156 4.194 4.350 0.000 0.000 0.265 410 T C 1.983 176.630 174.700 -0.090 0.000 1.039 410 T CA 1.383 63.431 62.100 -0.086 0.000 1.150 410 T CB -0.156 68.666 68.868 -0.078 0.000 0.864 410 T HN 0.050 nan 8.240 nan 0.000 0.427 411 V N 1.490 121.369 119.914 -0.057 0.000 2.407 411 V HA -0.122 3.998 4.120 0.000 0.000 0.248 411 V C 2.435 178.518 176.094 -0.018 0.000 1.055 411 V CA 1.397 63.673 62.300 -0.039 0.000 1.049 411 V CB -0.668 31.141 31.823 -0.024 0.000 0.662 411 V HN 0.420 nan 8.190 nan 0.000 0.455 412 L N -1.134 120.097 121.223 0.013 0.000 2.046 412 L HA -0.174 4.166 4.340 0.000 0.000 0.208 412 L C 2.381 179.197 176.870 -0.090 0.000 1.077 412 L CA 1.050 55.925 54.840 0.059 0.000 0.747 412 L CB -0.522 41.632 42.059 0.158 0.000 0.896 412 L HN 0.298 nan 8.230 nan 0.000 0.432 413 L N -0.702 120.402 121.223 -0.199 0.000 2.093 413 L HA -0.156 4.184 4.340 0.000 0.000 0.208 413 L C 2.377 179.063 176.870 -0.307 0.000 1.085 413 L CA 1.739 56.302 54.840 -0.462 0.000 0.755 413 L CB -0.472 41.157 42.059 -0.716 0.000 0.904 413 L HN 0.222 nan 8.230 nan 0.000 0.435 414 M N -1.996 117.490 119.600 -0.191 0.000 2.296 414 M HA -0.195 4.285 4.480 0.000 0.000 0.265 414 M C 2.028 178.286 176.300 -0.070 0.000 1.064 414 M CA 1.147 56.372 55.300 -0.125 0.000 1.109 414 M CB -0.265 32.281 32.600 -0.090 0.000 1.396 414 M HN 0.254 nan 8.290 nan 0.000 0.430 415 L N -0.110 121.094 121.223 -0.032 0.000 2.056 415 L HA -0.098 4.242 4.340 0.000 0.000 0.207 415 L C 2.191 179.110 176.870 0.082 0.000 1.078 415 L CA 1.446 56.327 54.840 0.069 0.000 0.749 415 L CB -0.480 41.692 42.059 0.189 0.000 0.901 415 L HN -0.006 nan 8.230 nan 0.000 0.433 416 V N -0.110 119.745 119.914 -0.099 0.000 2.332 416 V HA -0.315 3.806 4.120 0.000 0.000 0.248 416 V C 2.747 178.799 176.094 -0.070 0.000 1.055 416 V CA 1.649 63.846 62.300 -0.172 0.000 1.038 416 V CB -1.327 30.223 31.823 -0.454 0.000 0.651 416 V HN 0.584 nan 8.190 nan 0.000 0.450 417 A N 0.130 122.883 122.820 -0.112 0.000 1.858 417 A HA -0.264 4.056 4.320 0.000 0.000 0.216 417 A C 2.235 179.806 177.584 -0.023 0.000 1.190 417 A CA 2.317 54.308 52.037 -0.077 0.000 0.617 417 A CB -0.561 18.377 19.000 -0.104 0.000 0.827 417 A HN 0.450 nan 8.150 nan 0.000 0.443 418 K N 0.261 120.655 120.400 -0.009 0.000 2.063 418 K HA -0.055 4.265 4.320 0.000 0.000 0.208 418 K C 1.704 178.324 176.600 0.035 0.000 1.048 418 K CA 1.693 57.988 56.287 0.013 0.000 0.928 418 K CB -0.665 31.845 32.500 0.017 0.000 0.713 418 K HN 0.498 nan 8.250 nan 0.000 0.442 419 L N 0.622 121.884 121.223 0.065 0.000 2.156 419 L HA -0.098 4.242 4.340 0.000 0.000 0.208 419 L C 2.383 179.291 176.870 0.064 0.000 1.095 419 L CA 1.198 56.086 54.840 0.080 0.000 0.770 419 L CB -0.805 41.335 42.059 0.135 0.000 0.914 419 L HN 0.281 nan 8.230 nan 0.000 0.439 420 S N 0.263 115.996 115.700 0.055 0.000 2.374 420 S HA -0.239 4.231 4.470 0.000 0.000 0.227 420 S C 2.109 176.727 174.600 0.030 0.000 1.037 420 S CA 1.033 59.257 58.200 0.040 0.000 1.024 420 S CB -0.415 62.798 63.200 0.021 0.000 0.861 420 S HN 0.394 nan 8.310 nan 0.000 0.456 421 R N 0.705 121.220 120.500 0.025 0.000 2.090 421 R HA 0.196 4.536 4.340 0.000 0.000 0.228 421 R C 2.277 178.591 176.300 0.023 0.000 1.110 421 R CA 1.265 57.378 56.100 0.022 0.000 0.973 421 R CB -0.522 29.789 30.300 0.018 0.000 0.869 421 R HN 0.458 nan 8.270 nan 0.000 0.440 422 L N 0.283 121.522 121.223 0.026 0.000 2.395 422 L HA -0.071 4.269 4.340 0.000 0.000 0.218 422 L C 2.122 179.008 176.870 0.026 0.000 1.130 422 L CA 1.005 55.860 54.840 0.025 0.000 0.826 422 L CB -0.136 41.938 42.059 0.026 0.000 0.941 422 L HN 0.054 nan 8.230 nan 0.000 0.451 423 K N 0.154 120.572 120.400 0.030 0.000 2.314 423 K HA 0.100 4.421 4.320 0.000 0.000 0.198 423 K C 0.968 177.583 176.600 0.025 0.000 1.045 423 K CA 0.634 56.939 56.287 0.030 0.000 0.988 423 K CB 0.278 32.800 32.500 0.038 0.000 0.783 423 K HN 0.340 nan 8.250 nan 0.000 0.484 424 G N 1.853 110.668 108.800 0.024 0.000 2.255 424 G HA2 -0.209 3.751 3.960 0.000 0.000 0.239 424 G HA3 -0.209 3.751 3.960 0.000 0.000 0.239 424 G C -0.162 174.750 174.900 0.020 0.000 1.083 424 G CA -0.230 44.882 45.100 0.020 0.000 0.826 424 G HN 0.075 nan 8.290 nan 0.000 0.493 425 L N -0.495 120.741 121.223 0.022 0.000 2.448 425 L HA 0.461 4.801 4.340 0.000 0.000 0.258 425 L C 0.911 177.791 176.870 0.016 0.000 1.104 425 L CA -1.079 53.773 54.840 0.020 0.000 0.800 425 L CB 0.344 42.417 42.059 0.025 0.000 1.241 425 L HN 0.099 nan 8.230 nan 0.000 0.472 426 D N 0.657 121.065 120.400 0.013 0.000 2.570 426 D HA -0.030 4.610 4.640 0.000 0.000 0.243 426 D C 0.823 177.130 176.300 0.012 0.000 1.171 426 D CA 0.405 54.410 54.000 0.008 0.000 0.879 426 D CB 1.387 42.188 40.800 0.002 0.000 1.143 426 D HN 0.622 nan 8.370 nan 0.000 0.511 427 A N 3.473 126.303 122.820 0.016 0.000 2.032 427 A HA -0.258 4.063 4.320 0.000 0.000 0.221 427 A C 2.267 179.880 177.584 0.048 0.000 1.165 427 A CA 2.140 54.196 52.037 0.031 0.000 0.645 427 A CB -0.540 18.481 19.000 0.035 0.000 0.807 427 A HN 0.676 nan 8.150 nan 0.000 0.453 428 S N 0.227 115.937 115.700 0.017 0.000 2.387 428 S HA -0.206 4.264 4.470 0.000 0.000 0.230 428 S C 1.843 176.462 174.600 0.031 0.000 1.035 428 S CA 1.568 59.771 58.200 0.005 0.000 1.014 428 S CB -0.827 62.348 63.200 -0.042 0.000 0.836 428 S HN 0.553 nan 8.310 nan 0.000 0.466 429 I N 1.998 122.577 120.570 0.015 0.000 2.179 429 I HA -0.191 3.979 4.170 0.000 0.000 0.242 429 I C 2.957 179.069 176.117 -0.008 0.000 1.088 429 I CA 2.038 63.337 61.300 -0.001 0.000 1.357 429 I CB -0.549 37.449 38.000 -0.004 0.000 1.051 429 I HN 0.536 nan 8.210 nan 0.000 0.409 430 E N 0.635 120.837 120.200 0.005 0.000 2.077 430 E HA -0.312 4.038 4.350 0.000 0.000 0.193 430 E C 2.350 178.953 176.600 0.006 0.000 0.989 430 E CA 1.243 57.634 56.400 -0.015 0.000 0.800 430 E CB -0.252 29.444 29.700 -0.006 0.000 0.746 430 E HN 0.492 nan 8.360 nan 0.000 0.452 431 H N 0.905 119.952 119.070 -0.040 0.000 2.353 431 H HA -0.145 4.411 4.556 -0.000 0.000 0.298 431 H C 1.402 176.715 175.328 -0.024 0.000 1.103 431 H CA 2.087 58.118 56.048 -0.028 0.000 1.293 431 H CB 0.076 29.822 29.762 -0.027 0.000 1.372 431 H HN 0.305 nan 8.280 nan 0.000 0.501 432 D N 0.209 120.688 120.400 0.131 0.000 2.144 432 D HA -0.084 4.556 4.640 0.000 0.000 0.200 432 D C 2.553 178.845 176.300 -0.013 0.000 0.978 432 D CA 0.666 54.697 54.000 0.052 0.000 0.833 432 D CB -0.253 40.542 40.800 -0.009 0.000 0.961 432 D HN 0.449 nan 8.370 nan 0.000 0.470 433 I N 0.457 120.983 120.570 -0.073 0.000 2.226 433 I HA -0.218 3.952 4.170 0.000 0.000 0.245 433 I C 2.369 178.405 176.117 -0.135 0.000 1.100 433 I CA 0.642 61.848 61.300 -0.156 0.000 1.374 433 I CB -0.123 37.752 38.000 -0.208 0.000 1.057 433 I HN -0.112 nan 8.210 nan 0.000 0.413 434 V N 0.245 120.090 119.914 -0.115 0.000 2.453 434 V HA -0.282 3.838 4.120 0.000 0.000 0.247 434 V C 2.524 178.544 176.094 -0.123 0.000 1.048 434 V CA 1.841 64.056 62.300 -0.141 0.000 1.049 434 V CB -0.896 30.822 31.823 -0.175 0.000 0.672 434 V HN 0.510 nan 8.190 nan 0.000 0.457 435 H N 0.763 119.727 119.070 -0.177 0.000 2.353 435 H HA -0.123 4.433 4.556 -0.000 0.000 0.300 435 H C 2.252 177.511 175.328 -0.115 0.000 1.090 435 H CA 1.968 57.938 56.048 -0.131 0.000 1.327 435 H CB -0.319 29.406 29.762 -0.061 0.000 1.383 435 H HN 0.415 nan 8.280 nan 0.000 0.508 436 G N 1.199 110.028 108.800 0.049 0.000 2.453 436 G HA2 -0.194 3.766 3.960 0.000 0.000 0.215 436 G HA3 -0.194 3.766 3.960 0.000 0.000 0.215 436 G C 2.111 176.948 174.900 -0.104 0.000 1.201 436 G CA 0.821 45.905 45.100 -0.028 0.000 0.784 436 G HN 0.373 nan 8.290 nan 0.000 0.545 437 L N 0.058 121.202 121.223 -0.131 0.000 2.042 437 L HA -0.185 4.155 4.340 0.000 0.000 0.210 437 L C 3.138 179.934 176.870 -0.125 0.000 1.076 437 L CA 1.404 56.164 54.840 -0.133 0.000 0.749 437 L CB -0.563 41.408 42.059 -0.146 0.000 0.893 437 L HN 0.319 nan 8.230 nan 0.000 0.432 438 Q N -0.484 119.225 119.800 -0.152 0.000 2.226 438 Q HA -0.164 4.176 4.340 0.000 0.000 0.204 438 Q C 2.314 178.220 176.000 -0.156 0.000 0.975 438 Q CA 1.407 57.114 55.803 -0.159 0.000 0.866 438 Q CB -0.139 28.477 28.738 -0.203 0.000 0.915 438 Q HN 0.585 nan 8.270 nan 0.000 0.440 439 A N 0.393 123.110 122.820 -0.171 0.000 1.935 439 A HA -0.076 4.244 4.320 0.000 0.000 0.214 439 A C 1.929 179.458 177.584 -0.091 0.000 1.178 439 A CA 0.293 52.242 52.037 -0.147 0.000 0.640 439 A CB -0.398 18.508 19.000 -0.157 0.000 0.825 439 A HN 0.287 nan 8.150 nan 0.000 0.447 440 L N 0.762 121.940 121.223 -0.076 0.000 2.011 440 L HA -0.179 4.161 4.340 0.000 0.000 0.225 440 L C -0.680 176.188 176.870 -0.004 0.000 1.084 440 L CA 2.997 57.820 54.840 -0.027 0.000 0.791 440 L CB -1.428 40.617 42.059 -0.024 0.000 0.898 440 L HN 0.166 nan 8.230 nan 0.000 0.440 441 P HA -0.218 nan 4.420 nan 0.000 0.217 441 P C 1.928 179.228 177.300 0.000 0.000 1.162 441 P CA 2.619 65.710 63.100 -0.014 0.000 0.901 441 P CB -0.338 31.346 31.700 -0.028 0.000 0.793 442 S N -1.783 113.911 115.700 -0.010 0.000 2.453 442 S HA -0.021 4.449 4.470 0.000 0.000 0.231 442 S C 1.966 176.582 174.600 0.027 0.000 1.005 442 S CA 0.402 58.604 58.200 0.003 0.000 0.949 442 S CB -0.663 62.530 63.200 -0.012 0.000 0.774 442 S HN -0.009 nan 8.310 nan 0.000 0.510 443 R N 1.008 121.525 120.500 0.029 0.000 2.066 443 R HA 0.169 4.509 4.340 0.000 0.000 0.232 443 R C 2.228 178.683 176.300 0.258 0.000 1.131 443 R CA 1.373 57.521 56.100 0.079 0.000 0.955 443 R CB -0.718 29.557 30.300 -0.042 0.000 0.851 443 R HN 0.483 nan 8.270 nan 0.000 0.432 444 I N 0.587 121.269 120.570 0.187 0.000 2.252 444 I HA -0.239 3.931 4.170 0.000 0.000 0.245 444 I C 2.345 178.475 176.117 0.021 0.000 1.102 444 I CA 1.137 62.498 61.300 0.102 0.000 1.385 444 I CB -0.261 37.760 38.000 0.036 0.000 1.064 444 I HN 0.218 nan 8.210 nan 0.000 0.414 445 E N 0.324 120.541 120.200 0.028 0.000 2.209 445 E HA -0.308 4.042 4.350 0.000 0.000 0.196 445 E C 2.060 178.678 176.600 0.030 0.000 0.993 445 E CA 1.238 57.648 56.400 0.017 0.000 0.819 445 E CB 0.150 29.867 29.700 0.028 0.000 0.745 445 E HN 0.279 nan 8.360 nan 0.000 0.477 446 Q N -0.626 119.211 119.800 0.061 0.000 2.250 446 Q HA 0.016 4.356 4.340 0.000 0.000 0.200 446 Q C 1.734 177.769 176.000 0.059 0.000 0.941 446 Q CA 0.803 56.650 55.803 0.073 0.000 0.872 446 Q CB -0.088 28.710 28.738 0.100 0.000 0.965 446 Q HN 0.241 nan 8.270 nan 0.000 0.480 447 M N -0.171 119.453 119.600 0.040 0.000 2.106 447 M HA -0.117 4.363 4.480 0.000 0.000 0.259 447 M C 1.407 177.646 176.300 -0.102 0.000 1.068 447 M CA 1.550 56.787 55.300 -0.105 0.000 1.100 447 M CB -0.487 31.915 32.600 -0.330 0.000 1.351 447 M HN 0.297 nan 8.290 nan 0.000 0.404 448 L N -0.513 120.643 121.223 -0.113 0.000 2.187 448 L HA -0.196 4.144 4.340 0.000 0.000 0.213 448 L C 2.200 179.070 176.870 -0.000 0.000 1.100 448 L CA 1.436 56.182 54.840 -0.157 0.000 0.765 448 L CB -1.103 40.800 42.059 -0.261 0.000 0.904 448 L HN 0.518 nan 8.230 nan 0.000 0.437 449 S N -1.668 114.053 115.700 0.035 0.000 2.562 449 S HA -0.095 4.375 4.470 0.000 0.000 0.221 449 S C 1.565 176.205 174.600 0.068 0.000 0.975 449 S CA 0.164 58.410 58.200 0.075 0.000 0.918 449 S CB -0.049 63.192 63.200 0.067 0.000 0.772 449 S HN 0.487 nan 8.310 nan 0.000 0.531 450 Q N 0.647 120.476 119.800 0.048 0.000 2.280 450 Q HA 0.088 4.428 4.340 0.000 0.000 0.202 450 Q C 0.877 176.917 176.000 0.067 0.000 0.903 450 Q CA 0.187 56.021 55.803 0.051 0.000 0.948 450 Q CB -0.014 28.748 28.738 0.041 0.000 1.058 450 Q HN 0.679 nan 8.270 nan 0.000 0.493 451 D N 1.244 121.702 120.400 0.095 0.000 2.133 451 D HA -0.235 4.405 4.640 0.000 0.000 0.192 451 D C 1.873 178.212 176.300 0.066 0.000 1.001 451 D CA 1.221 55.309 54.000 0.146 0.000 0.844 451 D CB 0.335 41.297 40.800 0.271 0.000 0.944 451 D HN -0.100 nan 8.370 nan 0.000 0.447 452 K N 0.288 120.721 120.400 0.054 0.000 2.074 452 K HA -0.134 4.186 4.320 0.000 0.000 0.209 452 K C 2.332 178.918 176.600 -0.024 0.000 1.048 452 K CA 0.995 57.284 56.287 0.004 0.000 0.926 452 K CB -0.248 32.266 32.500 0.023 0.000 0.713 452 K HN 0.209 nan 8.250 nan 0.000 0.444 453 R N 0.007 120.510 120.500 0.006 0.000 2.115 453 R HA 0.027 4.367 4.340 0.000 0.000 0.226 453 R C 2.246 178.551 176.300 0.009 0.000 1.100 453 R CA 0.675 56.779 56.100 0.006 0.000 0.980 453 R CB -0.017 30.294 30.300 0.019 0.000 0.875 453 R HN 0.110 nan 8.270 nan 0.000 0.445 454 I N 0.611 121.200 120.570 0.032 0.000 2.202 454 I HA -0.222 3.948 4.170 0.000 0.000 0.242 454 I C 2.293 178.389 176.117 -0.035 0.000 1.091 454 I CA 1.312 62.663 61.300 0.086 0.000 1.368 454 I CB -1.126 36.977 38.000 0.172 0.000 1.058 454 I HN 0.303 nan 8.210 nan 0.000 0.410 455 E N 1.397 121.431 120.200 -0.277 0.000 2.070 455 E HA -0.250 4.100 4.350 0.000 0.000 0.197 455 E C 2.288 178.790 176.600 -0.164 0.000 1.004 455 E CA 1.800 57.905 56.400 -0.493 0.000 0.805 455 E CB 0.051 29.372 29.700 -0.632 0.000 0.744 455 E HN 0.431 nan 8.360 nan 0.000 0.451 456 A N 0.815 123.580 122.820 -0.091 0.000 1.902 456 A HA -0.171 4.149 4.320 0.000 0.000 0.217 456 A C 2.147 179.726 177.584 -0.008 0.000 1.181 456 A CA 1.309 53.322 52.037 -0.039 0.000 0.623 456 A CB -0.687 18.298 19.000 -0.025 0.000 0.818 456 A HN 0.379 nan 8.150 nan 0.000 0.443 457 L N -0.315 120.921 121.223 0.021 0.000 2.131 457 L HA -0.089 4.251 4.340 0.000 0.000 0.210 457 L C 2.716 179.667 176.870 0.136 0.000 1.092 457 L CA 1.861 56.748 54.840 0.077 0.000 0.759 457 L CB -0.557 41.582 42.059 0.134 0.000 0.903 457 L HN 0.368 nan 8.230 nan 0.000 0.435 458 A N -1.206 121.695 122.820 0.134 0.000 2.019 458 A HA -0.229 4.091 4.320 0.000 0.000 0.219 458 A C 2.149 179.841 177.584 0.180 0.000 1.164 458 A CA 1.522 53.683 52.037 0.207 0.000 0.644 458 A CB -0.547 18.526 19.000 0.122 0.000 0.805 458 A HN 0.462 nan 8.150 nan 0.000 0.449 459 E N 0.267 120.505 120.200 0.064 0.000 2.267 459 E HA -0.184 4.166 4.350 0.000 0.000 0.197 459 E C 0.994 177.578 176.600 -0.027 0.000 0.998 459 E CA 1.318 57.727 56.400 0.015 0.000 0.830 459 E CB -0.264 29.429 29.700 -0.012 0.000 0.751 459 E HN 0.645 nan 8.360 nan 0.000 0.491 460 D N -1.589 118.759 120.400 -0.087 0.000 2.317 460 D HA -0.065 4.576 4.640 0.000 0.000 0.211 460 D C 0.346 176.370 176.300 -0.461 0.000 0.966 460 D CA 0.568 54.395 54.000 -0.288 0.000 0.876 460 D CB 0.059 40.606 40.800 -0.421 0.000 0.927 460 D HN 0.232 nan 8.370 nan 0.000 0.519 461 F N -0.206 119.659 119.950 -0.142 0.000 2.693 461 F HA 0.122 4.649 4.527 0.000 0.000 0.303 461 F C 2.247 177.972 175.800 -0.125 0.000 1.097 461 F CA -0.222 57.692 58.000 -0.144 0.000 1.330 461 F CB -0.066 38.843 39.000 -0.151 0.000 1.067 461 F HN -0.099 nan 8.300 nan 0.000 0.565 462 S N -0.413 115.290 115.700 0.004 0.000 2.368 462 S HA -0.192 4.278 4.470 0.000 0.000 0.225 462 S C 1.294 175.853 174.600 -0.068 0.000 1.030 462 S CA 1.724 59.912 58.200 -0.021 0.000 0.999 462 S CB -0.259 62.928 63.200 -0.020 0.000 0.844 462 S HN 0.230 nan 8.310 nan 0.000 0.459 463 D N 1.075 121.421 120.400 -0.090 0.000 2.388 463 D HA 0.300 4.940 4.640 0.000 0.000 0.221 463 D C -0.234 175.919 176.300 -0.245 0.000 1.133 463 D CA 0.060 53.984 54.000 -0.127 0.000 0.831 463 D CB 0.247 41.020 40.800 -0.045 0.000 0.962 463 D HN 0.254 nan 8.370 nan 0.000 0.502 464 K N 0.303 120.569 120.400 -0.225 0.000 2.174 464 K HA 0.251 4.571 4.320 0.000 0.000 0.275 464 K C 0.626 177.012 176.600 -0.357 0.000 1.015 464 K CA -0.277 55.909 56.287 -0.169 0.000 0.933 464 K CB 1.090 33.592 32.500 0.002 0.000 1.025 464 K HN 0.190 nan 8.250 nan 0.000 0.463 465 H N 0.915 120.007 119.070 0.037 0.000 2.893 465 H HA 0.190 4.746 4.556 0.000 0.000 0.270 465 H C -0.114 174.981 175.328 -0.388 0.000 1.095 465 H CA 0.013 55.970 56.048 -0.151 0.000 1.186 465 H CB 0.981 30.599 29.762 -0.239 0.000 1.562 465 H HN 0.471 nan 8.280 nan 0.000 0.536 466 H N -0.172 119.029 119.070 0.218 0.000 3.008 466 H HA 0.658 5.214 4.556 0.000 0.000 0.354 466 H C -0.856 174.591 175.328 0.198 0.000 1.252 466 H CA -0.764 55.394 56.048 0.183 0.000 1.117 466 H CB 2.573 32.410 29.762 0.125 0.000 1.857 466 H HN 0.145 nan 8.280 nan 0.000 0.547 467 A N 2.104 125.132 122.820 0.347 0.000 2.530 467 A HA 0.430 4.750 4.320 0.000 0.000 0.297 467 A C -1.487 176.309 177.584 0.353 0.000 1.059 467 A CA -0.685 51.555 52.037 0.339 0.000 0.782 467 A CB 0.969 20.198 19.000 0.381 0.000 1.301 467 A HN 0.442 nan 8.150 nan 0.000 0.394 468 L N 2.025 123.430 121.223 0.305 0.000 2.289 468 L HA 0.621 4.961 4.340 0.000 0.000 0.285 468 L C -0.965 176.121 176.870 0.361 0.000 1.049 468 L CA -0.431 54.632 54.840 0.371 0.000 0.804 468 L CB 0.966 43.218 42.059 0.322 0.000 1.195 468 L HN 0.637 nan 8.230 nan 0.000 0.428 469 F N 3.232 123.289 119.950 0.178 0.000 2.422 469 F HA 0.607 5.134 4.527 -0.000 0.000 0.333 469 F C 0.108 176.032 175.800 0.207 0.000 1.095 469 F CA -0.571 57.523 58.000 0.156 0.000 1.038 469 F CB 1.514 40.560 39.000 0.077 0.000 1.156 469 F HN 0.181 nan 8.300 nan 0.000 0.483 470 L N 2.186 123.597 121.223 0.313 0.000 2.386 470 L HA 0.910 5.250 4.340 0.000 0.000 0.271 470 L C -0.029 176.979 176.870 0.230 0.000 0.993 470 L CA -0.688 54.315 54.840 0.271 0.000 0.819 470 L CB 2.111 44.284 42.059 0.190 0.000 1.294 470 L HN 0.763 nan 8.230 nan 0.000 0.414 471 G N 1.751 110.696 108.800 0.242 0.000 2.692 471 G HA2 0.659 4.619 3.960 0.000 0.000 0.291 471 G HA3 0.659 4.619 3.960 0.000 0.000 0.291 471 G C -1.803 173.188 174.900 0.152 0.000 1.423 471 G CA -0.634 44.573 45.100 0.178 0.000 0.843 471 G HN 0.407 nan 8.290 nan 0.000 0.486 472 R N -0.408 120.136 120.500 0.074 0.000 2.750 472 R HA 0.641 4.981 4.340 0.000 0.000 0.281 472 R C 0.783 177.056 176.300 -0.045 0.000 0.972 472 R CA 0.380 56.498 56.100 0.032 0.000 0.912 472 R CB 1.958 32.276 30.300 0.029 0.000 1.187 472 R HN 1.505 nan 8.270 nan 0.000 0.464 473 G N 2.476 111.237 108.800 -0.064 0.000 2.583 473 G HA2 -0.413 3.547 3.960 0.000 0.000 0.292 473 G HA3 -0.413 3.547 3.960 0.000 0.000 0.292 473 G C 0.383 174.748 174.900 -0.892 0.000 1.203 473 G CA 0.735 45.673 45.100 -0.270 0.000 0.987 473 G HN 0.806 nan 8.290 nan 0.000 0.554 474 D N 0.290 120.123 120.400 -0.945 0.000 2.378 474 D HA 0.048 4.688 4.640 0.000 0.000 0.227 474 D C 1.910 177.929 176.300 -0.468 0.000 1.012 474 D CA 1.515 54.917 54.000 -0.997 0.000 0.905 474 D CB -0.050 40.365 40.800 -0.642 0.000 0.895 474 D HN 0.429 nan 8.370 nan 0.000 0.532 475 Q N -0.860 118.771 119.800 -0.282 0.000 2.402 475 Q HA -0.032 4.308 4.340 0.000 0.000 0.206 475 Q C 1.414 177.407 176.000 -0.012 0.000 0.919 475 Q CA 0.114 55.846 55.803 -0.118 0.000 0.923 475 Q CB -0.399 28.279 28.738 -0.098 0.000 1.048 475 Q HN 0.452 nan 8.270 nan 0.000 0.515 476 Y N 2.844 123.056 120.300 -0.146 0.000 2.053 476 Y HA -0.167 4.383 4.550 0.000 0.000 0.277 476 Y C -0.917 174.974 175.900 -0.016 0.000 1.159 476 Y CA 1.666 59.744 58.100 -0.037 0.000 1.125 476 Y CB -1.367 37.102 38.460 0.014 0.000 0.969 476 Y HN 0.073 nan 8.280 nan 0.000 0.492 477 P HA -0.154 nan 4.420 nan 0.000 0.222 477 P C 1.688 178.867 177.300 -0.202 0.000 1.147 477 P CA 1.441 64.303 63.100 -0.397 0.000 0.790 477 P CB -0.083 31.472 31.700 -0.242 0.000 0.780 478 I N -0.149 120.362 120.570 -0.098 0.000 2.252 478 I HA -0.166 4.004 4.170 0.000 0.000 0.245 478 I C 2.221 178.317 176.117 -0.036 0.000 1.102 478 I CA 1.284 62.569 61.300 -0.025 0.000 1.385 478 I CB -1.968 36.055 38.000 0.038 0.000 1.064 478 I HN -0.068 nan 8.210 nan 0.000 0.414 479 A N 1.062 123.895 122.820 0.021 0.000 1.908 479 A HA -0.170 4.150 4.320 0.000 0.000 0.218 479 A C 2.438 179.964 177.584 -0.096 0.000 1.181 479 A CA 1.371 53.475 52.037 0.111 0.000 0.627 479 A CB -0.847 18.297 19.000 0.239 0.000 0.818 479 A HN 0.401 nan 8.150 nan 0.000 0.445 480 L N -1.036 120.063 121.223 -0.207 0.000 2.017 480 L HA -0.201 4.139 4.340 0.000 0.000 0.208 480 L C 2.710 179.388 176.870 -0.321 0.000 1.073 480 L CA 1.799 56.476 54.840 -0.271 0.000 0.745 480 L CB -0.456 41.415 42.059 -0.314 0.000 0.894 480 L HN 0.463 nan 8.230 nan 0.000 0.432 481 E N 0.522 120.518 120.200 -0.339 0.000 2.072 481 E HA -0.136 4.215 4.350 0.000 0.000 0.191 481 E C 2.062 178.394 176.600 -0.446 0.000 0.985 481 E CA 1.389 57.516 56.400 -0.455 0.000 0.801 481 E CB -0.412 28.890 29.700 -0.664 0.000 0.750 481 E HN 0.323 nan 8.360 nan 0.000 0.452 482 G N 0.546 109.105 108.800 -0.403 0.000 2.459 482 G HA2 -0.285 3.675 3.960 0.000 0.000 0.217 482 G HA3 -0.285 3.675 3.960 0.000 0.000 0.217 482 G C 1.751 175.992 174.900 -1.097 0.000 1.183 482 G CA 1.555 46.361 45.100 -0.490 0.000 0.776 482 G HN 0.467 nan 8.290 nan 0.000 0.552 483 A N 0.344 122.250 122.820 -1.523 0.000 1.908 483 A HA 0.000 4.320 4.320 0.000 0.000 0.218 483 A C 2.395 179.647 177.584 -0.554 0.000 1.181 483 A CA 1.866 53.158 52.037 -1.241 0.000 0.627 483 A CB -0.539 18.016 19.000 -0.741 0.000 0.818 483 A HN 0.486 nan 8.150 nan 0.000 0.445 484 L N -0.286 120.691 121.223 -0.409 0.000 2.042 484 L HA -0.170 4.170 4.340 0.000 0.000 0.210 484 L C 2.178 178.913 176.870 -0.225 0.000 1.076 484 L CA 2.154 56.840 54.840 -0.255 0.000 0.749 484 L CB -0.508 41.414 42.059 -0.229 0.000 0.893 484 L HN 0.201 nan 8.230 nan 0.000 0.432 485 K N -0.650 119.584 120.400 -0.276 0.000 2.063 485 K HA -0.166 4.154 4.320 0.000 0.000 0.208 485 K C 2.113 178.618 176.600 -0.160 0.000 1.048 485 K CA 1.647 57.812 56.287 -0.204 0.000 0.928 485 K CB -0.732 31.641 32.500 -0.210 0.000 0.713 485 K HN 0.319 nan 8.250 nan 0.000 0.442 486 L N 2.136 123.240 121.223 -0.199 0.000 2.131 486 L HA -0.102 4.238 4.340 0.000 0.000 0.206 486 L C 2.347 179.174 176.870 -0.072 0.000 1.087 486 L CA 1.647 56.410 54.840 -0.129 0.000 0.767 486 L CB -0.384 41.624 42.059 -0.086 0.000 0.917 486 L HN 0.126 nan 8.230 nan 0.000 0.441 487 K N -0.831 119.535 120.400 -0.058 0.000 2.155 487 K HA -0.181 4.140 4.320 0.000 0.000 0.203 487 K C 1.795 178.452 176.600 0.095 0.000 1.052 487 K CA 1.517 57.825 56.287 0.035 0.000 0.948 487 K CB -0.389 32.132 32.500 0.036 0.000 0.728 487 K HN 0.448 nan 8.250 nan 0.000 0.448 488 E N 1.041 121.262 120.200 0.035 0.000 2.028 488 E HA -0.129 4.221 4.350 0.000 0.000 0.191 488 E C 2.119 178.815 176.600 0.160 0.000 0.988 488 E CA 1.739 58.191 56.400 0.086 0.000 0.799 488 E CB -0.041 29.663 29.700 0.007 0.000 0.755 488 E HN 0.625 nan 8.360 nan 0.000 0.447 489 I N -2.206 118.370 120.570 0.010 0.000 3.854 489 I HA 0.102 4.272 4.170 0.000 0.000 0.312 489 I C 1.894 177.772 176.117 -0.398 0.000 1.273 489 I CA 0.561 61.804 61.300 -0.094 0.000 1.298 489 I CB 0.388 38.335 38.000 -0.088 0.000 1.071 489 I HN -0.057 nan 8.210 nan 0.000 0.428 490 S N -0.832 114.662 115.700 -0.343 0.000 2.505 490 S HA 0.076 4.546 4.470 0.000 0.000 0.216 490 S C 0.885 175.221 174.600 -0.441 0.000 1.018 490 S CA -0.099 57.841 58.200 -0.433 0.000 0.911 490 S CB -0.323 62.751 63.200 -0.209 0.000 0.818 490 S HN 0.507 nan 8.310 nan 0.000 0.497 491 Y N -0.058 120.239 120.300 -0.005 0.000 4.798 491 Y HA -0.198 4.352 4.550 0.000 0.000 0.237 491 Y C 0.318 176.236 175.900 0.031 0.000 1.017 491 Y CA -0.545 57.561 58.100 0.009 0.000 2.010 491 Y CB -2.962 35.508 38.460 0.016 0.000 1.582 491 Y HN 0.405 nan 8.280 nan 0.000 0.621 492 I N 1.469 122.113 120.570 0.123 0.000 2.648 492 I HA -0.035 4.135 4.170 0.000 0.000 0.284 492 I C 1.495 177.728 176.117 0.194 0.000 1.153 492 I CA 0.169 61.546 61.300 0.129 0.000 1.426 492 I CB 0.462 38.516 38.000 0.090 0.000 1.381 492 I HN 0.270 nan 8.210 nan 0.000 0.571 493 H N 6.273 125.382 119.070 0.066 0.000 3.224 493 H HA 0.381 4.937 4.556 0.000 0.000 0.265 493 H C -0.178 175.241 175.328 0.153 0.000 1.461 493 H CA -0.750 55.353 56.048 0.092 0.000 1.509 493 H CB 0.183 29.997 29.762 0.088 0.000 1.686 493 H HN 0.728 nan 8.280 nan 0.000 0.514 494 A N 4.583 127.583 122.820 0.300 0.000 2.312 494 A HA 0.410 4.730 4.320 0.000 0.000 0.328 494 A C -0.434 177.224 177.584 0.123 0.000 1.158 494 A CA -0.653 51.506 52.037 0.204 0.000 0.821 494 A CB 1.099 20.159 19.000 0.100 0.000 1.170 494 A HN 0.850 nan 8.150 nan 0.000 0.490 495 E N 0.664 120.932 120.200 0.113 0.000 2.321 495 E HA 0.605 4.955 4.350 0.000 0.000 0.278 495 E C -0.998 175.593 176.600 -0.016 0.000 0.902 495 E CA -0.664 55.727 56.400 -0.015 0.000 0.758 495 E CB 1.918 31.587 29.700 -0.052 0.000 1.213 495 E HN 0.985 nan 8.360 nan 0.000 0.426 496 A N 3.159 125.883 122.820 -0.160 0.000 2.337 496 A HA 0.792 5.112 4.320 0.000 0.000 0.331 496 A C -1.698 175.794 177.584 -0.153 0.000 1.137 496 A CA -0.379 51.648 52.037 -0.015 0.000 0.807 496 A CB 0.657 19.653 19.000 -0.007 0.000 1.250 496 A HN 0.573 nan 8.150 nan 0.000 0.468 497 Y N -0.527 119.948 120.300 0.291 0.000 2.544 497 Y HA 0.535 5.085 4.550 0.000 0.000 0.342 497 Y C 0.472 176.533 175.900 0.270 0.000 1.062 497 Y CA -0.387 57.878 58.100 0.274 0.000 1.023 497 Y CB 2.026 40.584 38.460 0.163 0.000 1.308 497 Y HN 0.927 nan 8.280 nan 0.000 0.457 498 A N 1.391 124.322 122.820 0.186 0.000 2.524 498 A HA 0.433 4.753 4.320 0.000 0.000 0.250 498 A C 1.361 178.982 177.584 0.063 0.000 1.078 498 A CA 0.433 52.373 52.037 -0.160 0.000 0.761 498 A CB -0.095 18.512 19.000 -0.655 0.000 1.012 498 A HN 1.154 nan 8.150 nan 0.000 0.500 499 A N 3.341 126.216 122.820 0.091 0.000 1.927 499 A HA -0.097 4.223 4.320 0.000 0.000 0.220 499 A C 2.229 179.841 177.584 0.047 0.000 1.185 499 A CA 2.510 54.601 52.037 0.090 0.000 0.639 499 A CB -1.140 17.912 19.000 0.086 0.000 0.820 499 A HN 1.486 nan 8.150 nan 0.000 0.451 500 G N -1.374 107.445 108.800 0.032 0.000 2.471 500 G HA2 -0.106 3.854 3.960 0.000 0.000 0.219 500 G HA3 -0.106 3.854 3.960 0.000 0.000 0.219 500 G C 1.361 176.312 174.900 0.085 0.000 1.125 500 G CA 0.812 45.937 45.100 0.041 0.000 0.775 500 G HN 0.485 nan 8.290 nan 0.000 0.548 501 E N -0.083 120.171 120.200 0.090 0.000 2.208 501 E HA -0.012 4.338 4.350 0.000 0.000 0.193 501 E C 2.409 179.040 176.600 0.051 0.000 0.988 501 E CA 0.130 56.624 56.400 0.157 0.000 0.828 501 E CB -0.140 29.648 29.700 0.147 0.000 0.763 501 E HN 0.380 nan 8.360 nan 0.000 0.478 502 L N 2.200 123.367 121.223 -0.093 0.000 2.079 502 L HA -0.208 4.132 4.340 0.000 0.000 0.210 502 L C 2.137 178.888 176.870 -0.199 0.000 1.081 502 L CA 1.928 56.598 54.840 -0.285 0.000 0.752 502 L CB -0.396 41.522 42.059 -0.236 0.000 0.896 502 L HN 0.054 nan 8.230 nan 0.000 0.433 503 K N -2.536 117.761 120.400 -0.172 0.000 2.504 503 K HA -0.126 4.194 4.320 0.000 0.000 0.195 503 K C 0.851 177.324 176.600 -0.213 0.000 1.036 503 K CA 1.082 57.243 56.287 -0.211 0.000 0.984 503 K CB -0.449 31.890 32.500 -0.269 0.000 0.788 503 K HN 0.418 nan 8.250 nan 0.000 0.488 504 H N -0.135 118.900 119.070 -0.059 0.000 2.568 504 H HA 0.187 4.743 4.556 0.000 0.000 0.302 504 H C 0.832 176.144 175.328 -0.025 0.000 1.065 504 H CA 0.732 56.763 56.048 -0.029 0.000 1.140 504 H CB 1.148 30.903 29.762 -0.012 0.000 1.474 504 H HN 0.639 nan 8.280 nan 0.000 0.545 505 G N 0.624 109.442 108.800 0.030 0.000 4.386 505 G HA2 -0.177 3.783 3.960 0.000 0.000 0.185 505 G HA3 -0.177 3.783 3.960 0.000 0.000 0.185 505 G C -1.426 173.458 174.900 -0.027 0.000 1.725 505 G CA -0.397 44.714 45.100 0.019 0.000 0.941 505 G HN 0.151 nan 8.290 nan 0.000 0.315 506 P HA 0.137 nan 4.420 nan 0.000 0.228 506 P C 1.783 178.990 177.300 -0.156 0.000 1.151 506 P CA 0.399 63.417 63.100 -0.137 0.000 0.770 506 P CB 0.043 31.501 31.700 -0.404 0.000 0.786 507 L N -0.413 120.724 121.223 -0.144 0.000 2.353 507 L HA -0.056 4.284 4.340 0.000 0.000 0.220 507 L C 1.980 178.811 176.870 -0.064 0.000 1.133 507 L CA 1.175 55.950 54.840 -0.108 0.000 0.798 507 L CB -1.167 40.833 42.059 -0.098 0.000 0.922 507 L HN -0.085 nan 8.230 nan 0.000 0.445 508 A N -1.366 121.424 122.820 -0.049 0.000 2.206 508 A HA 0.001 4.321 4.320 0.000 0.000 0.211 508 A C 2.060 179.627 177.584 -0.029 0.000 1.158 508 A CA 0.776 52.795 52.037 -0.030 0.000 0.761 508 A CB -0.553 18.438 19.000 -0.016 0.000 0.801 508 A HN 0.465 nan 8.150 nan 0.000 0.473 509 L N 0.103 121.305 121.223 -0.036 0.000 2.418 509 L HA 0.067 4.407 4.340 0.000 0.000 0.218 509 L C 0.092 176.936 176.870 -0.043 0.000 1.125 509 L CA -0.110 54.703 54.840 -0.045 0.000 0.835 509 L CB -0.264 41.771 42.059 -0.039 0.000 0.953 509 L HN 0.236 nan 8.230 nan 0.000 0.454 510 I N 2.196 122.748 120.570 -0.029 0.000 2.587 510 I HA 0.006 4.176 4.170 0.000 0.000 0.284 510 I C -0.095 176.014 176.117 -0.012 0.000 1.134 510 I CA 0.525 61.816 61.300 -0.015 0.000 1.410 510 I CB -0.201 37.790 38.000 -0.014 0.000 1.392 510 I HN 0.187 nan 8.210 nan 0.000 0.545 511 D N 4.524 124.922 120.400 -0.004 0.000 2.636 511 D HA 0.448 5.088 4.640 0.000 0.000 0.275 511 D C 0.611 176.918 176.300 0.012 0.000 1.130 511 D CA -0.593 53.408 54.000 0.001 0.000 1.031 511 D CB 0.753 41.553 40.800 -0.000 0.000 1.451 511 D HN 0.291 nan 8.370 nan 0.000 0.505 512 A N -0.375 122.453 122.820 0.012 0.000 2.042 512 A HA -0.187 4.133 4.320 0.000 0.000 0.222 512 A C 1.141 178.742 177.584 0.028 0.000 1.167 512 A CA 1.807 53.854 52.037 0.016 0.000 0.649 512 A CB -0.674 18.333 19.000 0.012 0.000 0.809 512 A HN 0.552 nan 8.150 nan 0.000 0.457 513 D N -1.807 118.613 120.400 0.034 0.000 2.349 513 D HA 0.145 4.785 4.640 0.000 0.000 0.214 513 D C 0.368 176.706 176.300 0.063 0.000 1.063 513 D CA 0.089 54.117 54.000 0.047 0.000 0.847 513 D CB 0.113 40.949 40.800 0.061 0.000 0.933 513 D HN 0.479 nan 8.370 nan 0.000 0.513 514 M N 2.829 122.465 119.600 0.061 0.000 2.084 514 M HA 0.281 4.761 4.480 0.000 0.000 0.351 514 M C -2.699 173.670 176.300 0.115 0.000 1.240 514 M CA -1.994 53.356 55.300 0.084 0.000 1.083 514 M CB 1.378 34.009 32.600 0.051 0.000 1.593 514 M HN -0.323 nan 8.290 nan 0.000 0.463 515 P HA 0.284 nan 4.420 nan 0.000 0.282 515 P C -1.379 176.055 177.300 0.222 0.000 1.249 515 P CA -0.382 62.836 63.100 0.196 0.000 0.806 515 P CB 1.027 32.738 31.700 0.019 0.000 0.984 516 V N 4.389 124.462 119.914 0.266 0.000 2.482 516 V HA 0.297 4.417 4.120 0.000 0.000 0.295 516 V C 0.284 176.465 176.094 0.145 0.000 1.026 516 V CA -0.526 61.872 62.300 0.163 0.000 0.856 516 V CB 1.433 33.333 31.823 0.128 0.000 1.001 516 V HN 0.376 nan 8.190 nan 0.000 0.424 517 I N 5.016 125.532 120.570 -0.090 0.000 2.385 517 I HA 0.585 4.755 4.170 0.000 0.000 0.294 517 I C -0.265 175.819 176.117 -0.055 0.000 0.988 517 I CA -0.167 61.031 61.300 -0.171 0.000 1.265 517 I CB 1.823 39.313 38.000 -0.848 0.000 1.388 517 I HN 0.334 nan 8.210 nan 0.000 0.480 518 V N 6.116 126.092 119.914 0.104 0.000 2.733 518 V HA 0.400 4.520 4.120 0.000 0.000 0.306 518 V C -0.544 175.668 176.094 0.198 0.000 1.084 518 V CA -0.930 61.441 62.300 0.119 0.000 0.905 518 V CB 2.068 33.923 31.823 0.053 0.000 1.010 518 V HN 0.469 nan 8.190 nan 0.000 0.424 519 V N 1.476 121.489 119.914 0.166 0.000 2.407 519 V HA 0.964 5.084 4.120 0.000 0.000 0.278 519 V C 0.308 176.416 176.094 0.023 0.000 1.037 519 V CA -0.378 62.021 62.300 0.164 0.000 0.900 519 V CB 1.231 33.121 31.823 0.111 0.000 0.983 519 V HN 1.204 nan 8.190 nan 0.000 0.459 520 A N 6.605 129.449 122.820 0.040 0.000 2.815 520 A HA 0.779 5.099 4.320 0.000 0.000 0.318 520 A C -2.454 175.168 177.584 0.063 0.000 1.186 520 A CA -1.452 50.620 52.037 0.058 0.000 0.754 520 A CB 0.777 19.888 19.000 0.185 0.000 1.151 520 A HN 0.742 nan 8.150 nan 0.000 0.452 521 P HA 0.099 nan 4.420 nan 0.000 0.274 521 P C -0.452 176.936 177.300 0.147 0.000 1.246 521 P CA -0.391 62.720 63.100 0.020 0.000 0.795 521 P CB 0.748 32.374 31.700 -0.123 0.000 1.006 522 N N 1.808 120.636 118.700 0.214 0.000 2.663 522 N HA 0.062 4.802 4.740 0.000 0.000 0.250 522 N C -0.446 175.129 175.510 0.108 0.000 1.129 522 N CA -0.227 52.899 53.050 0.126 0.000 0.995 522 N CB -1.045 37.461 38.487 0.033 0.000 1.324 522 N HN 0.378 nan 8.380 nan 0.000 0.512 523 N N 0.230 118.979 118.700 0.081 0.000 3.167 523 N HA 0.259 4.999 4.740 0.000 0.000 0.323 523 N C 0.367 175.903 175.510 0.044 0.000 1.478 523 N CA -0.597 52.494 53.050 0.068 0.000 0.753 523 N CB 0.452 38.982 38.487 0.072 0.000 1.721 523 N HN 0.116 nan 8.380 nan 0.000 0.618 524 E N -0.588 119.636 120.200 0.042 0.000 2.204 524 E HA 0.024 4.374 4.350 0.000 0.000 0.195 524 E C 1.101 177.719 176.600 0.030 0.000 0.990 524 E CA 0.773 57.192 56.400 0.032 0.000 0.821 524 E CB -0.233 29.488 29.700 0.036 0.000 0.750 524 E HN 0.414 nan 8.360 nan 0.000 0.477 525 L N 0.675 121.919 121.223 0.034 0.000 2.465 525 L HA -0.083 4.257 4.340 0.000 0.000 0.224 525 L C 2.247 179.140 176.870 0.038 0.000 1.145 525 L CA -0.079 54.782 54.840 0.034 0.000 0.834 525 L CB -0.215 41.863 42.059 0.032 0.000 0.944 525 L HN 0.211 nan 8.230 nan 0.000 0.451 526 L N 0.381 121.627 121.223 0.039 0.000 2.013 526 L HA -0.250 4.090 4.340 0.000 0.000 0.212 526 L C 2.423 179.306 176.870 0.022 0.000 1.073 526 L CA 1.910 56.778 54.840 0.047 0.000 0.753 526 L CB -0.338 41.743 42.059 0.037 0.000 0.890 526 L HN 0.226 nan 8.230 nan 0.000 0.432 527 E N -0.913 119.286 120.200 -0.002 0.000 2.153 527 E HA -0.200 4.150 4.350 0.000 0.000 0.194 527 E C 1.990 178.593 176.600 0.005 0.000 0.988 527 E CA 0.849 57.239 56.400 -0.016 0.000 0.811 527 E CB 0.026 29.713 29.700 -0.022 0.000 0.746 527 E HN 0.401 nan 8.360 nan 0.000 0.466 528 K N 0.582 120.994 120.400 0.019 0.000 2.103 528 K HA -0.097 4.223 4.320 0.000 0.000 0.204 528 K C 2.189 178.812 176.600 0.038 0.000 1.052 528 K CA 0.452 56.753 56.287 0.024 0.000 0.945 528 K CB -0.389 32.128 32.500 0.028 0.000 0.722 528 K HN 0.125 nan 8.250 nan 0.000 0.443 529 L N 1.857 123.114 121.223 0.057 0.000 2.093 529 L HA -0.074 4.266 4.340 0.000 0.000 0.208 529 L C 1.977 178.913 176.870 0.111 0.000 1.085 529 L CA 1.703 56.594 54.840 0.086 0.000 0.755 529 L CB -0.165 41.959 42.059 0.108 0.000 0.904 529 L HN -0.019 nan 8.230 nan 0.000 0.435 530 K N -0.566 119.896 120.400 0.102 0.000 2.147 530 K HA -0.120 4.200 4.320 0.000 0.000 0.205 530 K C 2.228 178.865 176.600 0.062 0.000 1.049 530 K CA 1.474 57.822 56.287 0.102 0.000 0.936 530 K CB -0.183 32.308 32.500 -0.015 0.000 0.722 530 K HN 0.609 nan 8.250 nan 0.000 0.446 531 S N 0.947 116.667 115.700 0.033 0.000 2.436 531 S HA -0.057 4.413 4.470 0.000 0.000 0.228 531 S C 1.594 176.206 174.600 0.019 0.000 1.014 531 S CA 0.688 58.898 58.200 0.017 0.000 0.950 531 S CB -0.144 63.058 63.200 0.003 0.000 0.784 531 S HN 0.199 nan 8.310 nan 0.000 0.504 532 N N 2.087 120.805 118.700 0.031 0.000 2.142 532 N HA 0.066 4.806 4.740 0.000 0.000 0.186 532 N C 1.767 177.299 175.510 0.036 0.000 1.023 532 N CA 1.466 54.531 53.050 0.025 0.000 0.852 532 N CB -0.520 37.987 38.487 0.034 0.000 0.998 532 N HN 0.463 nan 8.380 nan 0.000 0.424 533 I N 1.660 122.271 120.570 0.068 0.000 2.151 533 I HA -0.244 3.926 4.170 0.000 0.000 0.243 533 I C 2.211 178.358 176.117 0.050 0.000 1.080 533 I CA 1.192 62.538 61.300 0.077 0.000 1.339 533 I CB -0.154 37.936 38.000 0.150 0.000 1.039 533 I HN 0.039 nan 8.210 nan 0.000 0.409 534 E N 0.749 120.975 120.200 0.044 0.000 2.118 534 E HA -0.239 4.111 4.350 0.000 0.000 0.195 534 E C 2.032 178.634 176.600 0.003 0.000 0.992 534 E CA 1.253 57.665 56.400 0.020 0.000 0.804 534 E CB -0.243 29.463 29.700 0.010 0.000 0.741 534 E HN 0.546 nan 8.360 nan 0.000 0.458 535 E N 0.058 120.257 120.200 -0.002 0.000 2.118 535 E HA -0.145 4.205 4.350 0.000 0.000 0.195 535 E C 2.156 178.746 176.600 -0.016 0.000 0.992 535 E CA 1.209 57.599 56.400 -0.017 0.000 0.804 535 E CB 0.032 29.713 29.700 -0.032 0.000 0.741 535 E HN 0.033 nan 8.360 nan 0.000 0.458 536 V N 0.866 120.777 119.914 -0.006 0.000 2.358 536 V HA -0.232 3.888 4.120 0.000 0.000 0.246 536 V C 2.152 178.244 176.094 -0.003 0.000 1.047 536 V CA 1.754 64.052 62.300 -0.003 0.000 1.035 536 V CB -0.401 31.430 31.823 0.013 0.000 0.658 536 V HN 0.184 nan 8.190 nan 0.000 0.452 537 R N 0.454 120.953 120.500 -0.003 0.000 2.096 537 R HA -0.103 4.237 4.340 0.000 0.000 0.235 537 R C 2.403 178.695 176.300 -0.014 0.000 1.127 537 R CA 1.399 57.492 56.100 -0.011 0.000 0.968 537 R CB -0.647 29.645 30.300 -0.013 0.000 0.861 537 R HN 0.516 nan 8.270 nan 0.000 0.440 538 A N 1.150 123.962 122.820 -0.013 0.000 2.024 538 A HA -0.137 4.183 4.320 0.000 0.000 0.220 538 A C 1.673 179.248 177.584 -0.015 0.000 1.164 538 A CA 1.265 53.293 52.037 -0.015 0.000 0.643 538 A CB -0.134 18.856 19.000 -0.017 0.000 0.806 538 A HN 0.093 nan 8.150 nan 0.000 0.451 539 R N -1.620 118.872 120.500 -0.015 0.000 2.334 539 R HA 0.213 4.553 4.340 0.000 0.000 0.216 539 R C 1.179 177.474 176.300 -0.009 0.000 0.905 539 R CA 0.659 56.751 56.100 -0.014 0.000 1.064 539 R CB -0.517 29.773 30.300 -0.018 0.000 1.046 539 R HN 0.885 nan 8.270 nan 0.000 0.508 540 G N 0.106 108.901 108.800 -0.009 0.000 2.148 540 G HA2 -0.198 3.762 3.960 0.000 0.000 0.203 540 G HA3 -0.198 3.762 3.960 0.000 0.000 0.203 540 G C 0.477 175.378 174.900 0.002 0.000 0.993 540 G CA -0.229 44.867 45.100 -0.006 0.000 0.661 540 G HN 0.553 nan 8.290 nan 0.000 0.518 541 G N -0.537 108.267 108.800 0.006 0.000 2.544 541 G HA2 0.485 4.445 3.960 0.000 0.000 0.242 541 G HA3 0.485 4.445 3.960 0.000 0.000 0.242 541 G C -0.037 174.876 174.900 0.023 0.000 1.247 541 G CA -0.112 45.003 45.100 0.025 0.000 0.840 541 G HN 0.264 nan 8.290 nan 0.000 0.578 542 Q N 0.516 120.354 119.800 0.063 0.000 2.325 542 Q HA 0.406 4.746 4.340 0.000 0.000 0.262 542 Q C -0.492 175.557 176.000 0.083 0.000 0.968 542 Q CA -0.422 55.414 55.803 0.055 0.000 0.877 542 Q CB 2.095 30.913 28.738 0.133 0.000 1.253 542 Q HN 0.330 nan 8.270 nan 0.000 0.448 543 L N 2.607 123.771 121.223 -0.098 0.000 2.343 543 L HA 0.394 4.734 4.340 0.000 0.000 0.275 543 L C -0.914 175.761 176.870 -0.324 0.000 1.056 543 L CA -0.484 54.310 54.840 -0.077 0.000 0.804 543 L CB 0.768 42.775 42.059 -0.086 0.000 1.203 543 L HN 0.445 nan 8.230 nan 0.000 0.440 544 Y N 2.093 122.398 120.300 0.008 0.000 2.349 544 Y HA 0.507 5.057 4.550 -0.000 0.000 0.324 544 Y C -0.681 175.136 175.900 -0.138 0.000 1.005 544 Y CA -0.862 57.216 58.100 -0.036 0.000 1.240 544 Y CB 1.621 40.128 38.460 0.078 0.000 1.117 544 Y HN 0.099 nan 8.280 nan 0.000 0.463 545 V N 4.461 124.239 119.914 -0.228 0.000 2.409 545 V HA 0.338 4.458 4.120 0.000 0.000 0.291 545 V C -0.644 175.266 176.094 -0.307 0.000 1.020 545 V CA -0.953 61.194 62.300 -0.256 0.000 0.848 545 V CB 0.908 32.373 31.823 -0.595 0.000 0.990 545 V HN 0.464 nan 8.190 nan 0.000 0.430 546 F N 3.880 123.821 119.950 -0.014 0.000 2.406 546 F HA 0.668 5.195 4.527 -0.000 0.000 0.358 546 F C 0.774 176.678 175.800 0.173 0.000 1.161 546 F CA -0.162 57.882 58.000 0.073 0.000 1.185 546 F CB 0.726 39.798 39.000 0.120 0.000 1.421 546 F HN 0.557 nan 8.300 nan 0.000 0.576 547 A N 2.262 125.190 122.820 0.180 0.000 2.340 547 A HA 0.407 4.727 4.320 0.000 0.000 0.331 547 A C -0.436 177.352 177.584 0.340 0.000 1.140 547 A CA -0.824 51.357 52.037 0.239 0.000 0.801 547 A CB 0.769 19.790 19.000 0.034 0.000 1.234 547 A HN 0.507 nan 8.150 nan 0.000 0.469 548 D N 1.165 121.821 120.400 0.425 0.000 2.443 548 D HA -0.026 4.614 4.640 0.000 0.000 0.239 548 D C 1.048 177.505 176.300 0.262 0.000 1.136 548 D CA 0.373 54.598 54.000 0.375 0.000 0.879 548 D CB 0.800 41.830 40.800 0.384 0.000 1.195 548 D HN 0.584 nan 8.370 nan 0.000 0.443 549 Q N 1.676 121.598 119.800 0.204 0.000 2.242 549 Q HA -0.203 4.137 4.340 0.000 0.000 0.211 549 Q C 0.589 176.653 176.000 0.107 0.000 0.992 549 Q CA 1.584 57.472 55.803 0.141 0.000 0.889 549 Q CB 0.128 28.934 28.738 0.115 0.000 0.913 549 Q HN 0.521 nan 8.270 nan 0.000 0.422 550 D N -0.921 119.528 120.400 0.083 0.000 2.349 550 D HA 0.100 4.740 4.640 0.000 0.000 0.214 550 D C 1.176 177.488 176.300 0.019 0.000 1.063 550 D CA 0.419 54.429 54.000 0.017 0.000 0.847 550 D CB 0.198 40.956 40.800 -0.071 0.000 0.933 550 D HN 0.205 nan 8.370 nan 0.000 0.513 551 A N 0.532 123.414 122.820 0.104 0.000 2.172 551 A HA 0.238 4.558 4.320 0.000 0.000 0.216 551 A C 1.814 179.311 177.584 -0.145 0.000 1.154 551 A CA 1.105 53.183 52.037 0.069 0.000 0.701 551 A CB -0.511 18.711 19.000 0.370 0.000 0.789 551 A HN 0.254 nan 8.150 nan 0.000 0.465 552 G N -1.832 106.940 108.800 -0.047 0.000 2.246 552 G HA2 -0.256 3.704 3.960 0.000 0.000 0.273 552 G HA3 -0.256 3.704 3.960 0.000 0.000 0.273 552 G C -0.111 174.688 174.900 -0.168 0.000 1.055 552 G CA 0.182 45.219 45.100 -0.105 0.000 0.851 552 G HN 0.302 nan 8.290 nan 0.000 0.500 553 F N -1.034 118.918 119.950 0.003 0.000 2.382 553 F HA 0.594 5.121 4.527 -0.000 0.000 0.331 553 F C 0.822 176.608 175.800 -0.023 0.000 1.121 553 F CA -0.539 57.455 58.000 -0.010 0.000 1.183 553 F CB 1.721 40.718 39.000 -0.005 0.000 1.207 553 F HN 0.007 nan 8.300 nan 0.000 0.555 554 V N 1.959 121.975 119.914 0.170 0.000 2.531 554 V HA 0.258 4.378 4.120 0.000 0.000 0.301 554 V C -0.337 175.774 176.094 0.029 0.000 1.034 554 V CA -1.086 61.253 62.300 0.066 0.000 0.865 554 V CB 1.681 33.516 31.823 0.019 0.000 0.995 554 V HN 0.781 nan 8.190 nan 0.000 0.424 555 S N 3.558 119.253 115.700 -0.008 0.000 2.558 555 S HA 0.430 4.900 4.470 0.000 0.000 0.288 555 S C 0.393 174.936 174.600 -0.095 0.000 1.318 555 S CA 0.201 58.361 58.200 -0.068 0.000 1.056 555 S CB 0.516 63.687 63.200 -0.050 0.000 0.853 555 S HN 1.135 nan 8.310 nan 0.000 0.505 556 S N 1.110 116.704 115.700 -0.176 0.000 2.724 556 S HA 0.364 4.834 4.470 0.000 0.000 0.278 556 S C -0.168 174.275 174.600 -0.262 0.000 1.190 556 S CA -0.879 57.222 58.200 -0.166 0.000 0.860 556 S CB 0.434 63.563 63.200 -0.119 0.000 1.206 556 S HN 0.426 nan 8.310 nan 0.000 0.507 557 D N 1.695 121.985 120.400 -0.184 0.000 2.218 557 D HA -0.054 4.586 4.640 0.000 0.000 0.204 557 D C 0.910 177.053 176.300 -0.263 0.000 0.976 557 D CA 1.590 55.486 54.000 -0.172 0.000 0.853 557 D CB -0.446 40.304 40.800 -0.083 0.000 0.939 557 D HN 0.689 nan 8.370 nan 0.000 0.481 558 N N -0.235 118.295 118.700 -0.282 0.000 2.234 558 N HA 0.087 4.827 4.740 0.000 0.000 0.227 558 N C -0.303 174.967 175.510 -0.400 0.000 1.151 558 N CA -0.211 52.676 53.050 -0.272 0.000 0.865 558 N CB 0.347 38.754 38.487 -0.134 0.000 1.066 558 N HN 0.021 nan 8.380 nan 0.000 0.515 559 M N 1.226 120.449 119.600 -0.629 0.000 2.210 559 M HA 0.276 4.756 4.480 0.000 0.000 0.235 559 M C -2.321 173.623 176.300 -0.593 0.000 0.974 559 M CA -0.190 54.822 55.300 -0.480 0.000 1.043 559 M CB 0.885 33.347 32.600 -0.230 0.000 2.331 559 M HN 0.023 nan 8.290 nan 0.000 0.452 560 H N 5.430 124.256 119.070 -0.407 0.000 2.504 560 H HA 0.532 5.088 4.556 0.000 0.000 0.322 560 H C -0.663 174.474 175.328 -0.317 0.000 1.055 560 H CA -0.479 55.350 56.048 -0.365 0.000 1.231 560 H CB 1.279 30.716 29.762 -0.540 0.000 1.417 560 H HN 0.519 nan 8.280 nan 0.000 0.472 561 I N 4.499 124.987 120.570 -0.136 0.000 2.460 561 I HA 0.222 4.392 4.170 0.000 0.000 0.298 561 I C 0.301 176.315 176.117 -0.172 0.000 0.989 561 I CA -0.888 60.308 61.300 -0.173 0.000 1.173 561 I CB 1.382 39.329 38.000 -0.087 0.000 1.338 561 I HN 0.382 nan 8.210 nan 0.000 0.456 562 I N 4.874 125.286 120.570 -0.264 0.000 2.389 562 I HA 0.231 4.401 4.170 0.000 0.000 0.288 562 I C 0.344 176.434 176.117 -0.045 0.000 0.999 562 I CA -0.358 60.835 61.300 -0.179 0.000 1.129 562 I CB 1.030 38.830 38.000 -0.334 0.000 1.288 562 I HN 0.407 nan 8.210 nan 0.000 0.444 563 E N 7.000 127.212 120.200 0.020 0.000 2.259 563 E HA 0.396 4.746 4.350 0.000 0.000 0.281 563 E C -0.715 175.951 176.600 0.111 0.000 1.037 563 E CA -0.393 56.056 56.400 0.081 0.000 0.854 563 E CB 1.073 30.820 29.700 0.079 0.000 1.051 563 E HN 0.397 nan 8.360 nan 0.000 0.409 564 M N 3.152 122.851 119.600 0.164 0.000 2.472 564 M HA 0.381 4.861 4.480 0.000 0.000 0.331 564 M C -2.426 174.020 176.300 0.243 0.000 1.170 564 M CA -2.634 52.777 55.300 0.184 0.000 1.009 564 M CB 1.045 33.737 32.600 0.153 0.000 1.672 564 M HN 0.054 nan 8.290 nan 0.000 0.453 565 P HA 0.022 nan 4.420 nan 0.000 0.269 565 P C -0.570 176.846 177.300 0.195 0.000 1.209 565 P CA 0.061 63.286 63.100 0.208 0.000 0.776 565 P CB 0.183 31.997 31.700 0.190 0.000 0.876 566 H N 2.548 121.651 119.070 0.054 0.000 3.046 566 H HA 0.248 4.804 4.556 0.000 0.000 0.303 566 H C -0.234 175.023 175.328 -0.119 0.000 1.002 566 H CA -0.071 55.991 56.048 0.023 0.000 1.460 566 H CB -0.308 29.475 29.762 0.034 0.000 1.493 566 H HN 0.083 nan 8.280 nan 0.000 0.559 567 V N 2.029 121.643 119.914 -0.501 0.000 2.994 567 V HA 0.449 4.569 4.120 0.000 0.000 0.318 567 V C 0.117 175.882 176.094 -0.549 0.000 1.085 567 V CA -1.361 60.563 62.300 -0.628 0.000 0.998 567 V CB 1.716 32.997 31.823 -0.903 0.000 1.063 567 V HN 0.668 nan 8.190 nan 0.000 0.447 568 E N 1.188 121.177 120.200 -0.352 0.000 2.529 568 E HA 0.049 4.399 4.350 0.000 0.000 0.259 568 E C 0.818 177.345 176.600 -0.122 0.000 0.966 568 E CA 0.550 56.826 56.400 -0.206 0.000 0.937 568 E CB 0.665 30.305 29.700 -0.100 0.000 0.923 568 E HN 0.906 nan 8.360 nan 0.000 0.468 569 E N 2.905 123.067 120.200 -0.062 0.000 2.118 569 E HA -0.179 4.171 4.350 0.000 0.000 0.195 569 E C 1.586 178.227 176.600 0.068 0.000 0.992 569 E CA 0.961 57.380 56.400 0.031 0.000 0.804 569 E CB -0.122 29.614 29.700 0.060 0.000 0.741 569 E HN 0.418 nan 8.360 nan 0.000 0.458 570 V N 0.436 120.357 119.914 0.011 0.000 2.392 570 V HA -0.208 3.912 4.120 0.000 0.000 0.249 570 V C 1.928 178.010 176.094 -0.020 0.000 1.059 570 V CA 2.045 64.323 62.300 -0.038 0.000 1.051 570 V CB -0.372 31.350 31.823 -0.168 0.000 0.658 570 V HN 0.529 nan 8.190 nan 0.000 0.455 571 I N -1.595 118.974 120.570 -0.001 0.000 3.928 571 I HA 0.469 4.639 4.170 0.000 0.000 0.335 571 I C 2.024 178.262 176.117 0.202 0.000 1.325 571 I CA 0.889 62.228 61.300 0.065 0.000 1.107 571 I CB -0.598 37.389 38.000 -0.020 0.000 1.014 571 I HN 0.043 nan 8.210 nan 0.000 0.400 572 A N 2.373 125.324 122.820 0.218 0.000 1.903 572 A HA -0.090 4.230 4.320 0.000 0.000 0.219 572 A C 0.261 178.111 177.584 0.443 0.000 1.191 572 A CA 2.133 54.386 52.037 0.360 0.000 0.638 572 A CB -2.077 17.081 19.000 0.264 0.000 0.823 572 A HN 0.414 nan 8.150 nan 0.000 0.451 573 P HA -0.116 nan 4.420 nan 0.000 0.218 573 P C 1.291 178.750 177.300 0.266 0.000 1.148 573 P CA 0.969 64.206 63.100 0.228 0.000 0.822 573 P CB -0.133 31.615 31.700 0.079 0.000 0.784 574 I N -2.447 118.293 120.570 0.283 0.000 2.233 574 I HA -0.200 3.970 4.170 0.000 0.000 0.243 574 I C 2.244 178.502 176.117 0.235 0.000 1.093 574 I CA 1.157 62.582 61.300 0.209 0.000 1.380 574 I CB -0.808 37.288 38.000 0.160 0.000 1.067 574 I HN -0.130 nan 8.210 nan 0.000 0.413 575 F N 1.695 121.716 119.950 0.119 0.000 2.065 575 F HA -0.289 4.238 4.527 0.000 0.000 0.298 575 F C 2.230 178.034 175.800 0.008 0.000 1.112 575 F CA 1.748 59.776 58.000 0.046 0.000 1.212 575 F CB -0.597 38.435 39.000 0.052 0.000 0.975 575 F HN -0.032 nan 8.300 nan 0.000 0.476 576 Y N 0.015 120.352 120.300 0.061 0.000 2.583 576 Y HA -0.060 4.490 4.550 0.000 0.000 0.293 576 Y C 2.404 178.230 175.900 -0.122 0.000 1.157 576 Y CA 1.229 59.283 58.100 -0.077 0.000 1.315 576 Y CB -0.848 37.653 38.460 0.068 0.000 1.021 576 Y HN 0.020 nan 8.280 nan 0.000 0.536 577 T N -1.186 113.412 114.554 0.074 0.000 2.857 577 T HA -0.128 4.222 4.350 0.000 0.000 0.266 577 T C 2.167 176.811 174.700 -0.094 0.000 1.048 577 T CA 1.258 63.382 62.100 0.041 0.000 1.139 577 T CB -0.468 68.539 68.868 0.232 0.000 0.874 577 T HN 0.088 nan 8.240 nan 0.000 0.455 578 V N 3.034 122.854 119.914 -0.157 0.000 2.255 578 V HA -0.135 3.985 4.120 0.000 0.000 0.247 578 V C -0.159 175.791 176.094 -0.239 0.000 1.051 578 V CA 1.866 64.044 62.300 -0.204 0.000 1.018 578 V CB -1.612 30.056 31.823 -0.258 0.000 0.641 578 V HN 0.404 nan 8.190 nan 0.000 0.445 579 P HA -0.163 nan 4.420 nan 0.000 0.216 579 P C 1.913 179.000 177.300 -0.354 0.000 1.150 579 P CA 1.542 64.459 63.100 -0.305 0.000 0.837 579 P CB -0.084 31.375 31.700 -0.402 0.000 0.786 580 L N -0.732 120.244 121.223 -0.411 0.000 2.131 580 L HA -0.177 4.163 4.340 0.000 0.000 0.210 580 L C 2.897 179.682 176.870 -0.141 0.000 1.092 580 L CA 1.527 56.206 54.840 -0.267 0.000 0.759 580 L CB -0.940 41.021 42.059 -0.164 0.000 0.903 580 L HN 0.032 nan 8.230 nan 0.000 0.435 581 Q N -0.236 119.480 119.800 -0.139 0.000 2.083 581 Q HA -0.131 4.209 4.340 0.000 0.000 0.198 581 Q C 2.383 178.356 176.000 -0.046 0.000 0.969 581 Q CA 1.084 56.824 55.803 -0.106 0.000 0.838 581 Q CB -0.048 28.619 28.738 -0.119 0.000 0.900 581 Q HN 0.487 nan 8.270 nan 0.000 0.436 582 L N 0.185 121.393 121.223 -0.025 0.000 2.017 582 L HA -0.201 4.139 4.340 0.000 0.000 0.208 582 L C 2.357 179.346 176.870 0.199 0.000 1.073 582 L CA 0.606 55.514 54.840 0.115 0.000 0.745 582 L CB -0.431 41.716 42.059 0.146 0.000 0.894 582 L HN 0.256 nan 8.230 nan 0.000 0.432 583 L N 0.172 121.456 121.223 0.102 0.000 2.012 583 L HA -0.182 4.158 4.340 0.000 0.000 0.210 583 L C 2.650 179.511 176.870 -0.014 0.000 1.073 583 L CA 2.068 56.953 54.840 0.075 0.000 0.748 583 L CB -0.719 41.344 42.059 0.006 0.000 0.891 583 L HN 0.158 nan 8.230 nan 0.000 0.431 584 A N -1.164 121.629 122.820 -0.044 0.000 1.865 584 A HA -0.323 3.997 4.320 0.000 0.000 0.217 584 A C 2.326 179.871 177.584 -0.066 0.000 1.191 584 A CA 2.071 54.061 52.037 -0.079 0.000 0.623 584 A CB -1.414 17.535 19.000 -0.085 0.000 0.826 584 A HN 0.670 nan 8.150 nan 0.000 0.444 585 Y N 0.427 120.623 120.300 -0.172 0.000 2.097 585 Y HA -0.293 4.257 4.550 0.000 0.000 0.282 585 Y C 2.536 178.280 175.900 -0.261 0.000 1.152 585 Y CA 2.337 60.288 58.100 -0.247 0.000 1.136 585 Y CB -0.605 37.678 38.460 -0.294 0.000 0.975 585 Y HN 0.510 nan 8.280 nan 0.000 0.498 586 H N -1.157 117.809 119.070 -0.173 0.000 2.421 586 H HA -0.097 4.459 4.556 0.000 0.000 0.298 586 H C 2.437 177.645 175.328 -0.201 0.000 1.087 586 H CA 1.756 57.667 56.048 -0.228 0.000 1.330 586 H CB -0.460 29.276 29.762 -0.042 0.000 1.388 586 H HN 0.345 nan 8.280 nan 0.000 0.526 587 V N 0.969 120.841 119.914 -0.070 0.000 2.548 587 V HA -0.162 3.958 4.120 0.000 0.000 0.249 587 V C 2.797 178.795 176.094 -0.159 0.000 1.055 587 V CA 1.217 63.461 62.300 -0.093 0.000 1.065 587 V CB -0.925 30.811 31.823 -0.144 0.000 0.681 587 V HN 0.413 nan 8.190 nan 0.000 0.462 588 A N 0.046 122.725 122.820 -0.235 0.000 1.902 588 A HA -0.167 4.153 4.320 0.000 0.000 0.217 588 A C 2.133 179.549 177.584 -0.280 0.000 1.181 588 A CA 1.708 53.574 52.037 -0.285 0.000 0.623 588 A CB -0.574 18.239 19.000 -0.311 0.000 0.818 588 A HN 0.400 nan 8.150 nan 0.000 0.443 589 L N -0.066 120.943 121.223 -0.356 0.000 2.042 589 L HA -0.176 4.164 4.340 0.000 0.000 0.210 589 L C 2.316 179.102 176.870 -0.139 0.000 1.076 589 L CA 1.372 56.043 54.840 -0.282 0.000 0.749 589 L CB -0.574 41.272 42.059 -0.355 0.000 0.893 589 L HN 0.326 nan 8.230 nan 0.000 0.432 590 I N -0.581 119.923 120.570 -0.110 0.000 2.179 590 I HA -0.239 3.931 4.170 0.000 0.000 0.242 590 I C 2.175 178.256 176.117 -0.060 0.000 1.088 590 I CA 1.270 62.535 61.300 -0.057 0.000 1.357 590 I CB -1.064 36.919 38.000 -0.028 0.000 1.051 590 I HN 0.273 nan 8.210 nan 0.000 0.409 591 K N 0.577 120.923 120.400 -0.089 0.000 2.432 591 K HA 0.073 4.393 4.320 0.000 0.000 0.196 591 K C 1.199 177.756 176.600 -0.072 0.000 1.038 591 K CA 0.797 57.035 56.287 -0.082 0.000 0.986 591 K CB -0.264 32.161 32.500 -0.126 0.000 0.782 591 K HN 0.468 nan 8.250 nan 0.000 0.485 592 G N 2.737 111.487 108.800 -0.083 0.000 2.198 592 G HA2 -0.274 3.686 3.960 0.000 0.000 0.257 592 G HA3 -0.274 3.686 3.960 0.000 0.000 0.257 592 G C 0.294 175.166 174.900 -0.047 0.000 1.042 592 G CA 0.777 45.848 45.100 -0.049 0.000 0.791 592 G HN 0.428 nan 8.290 nan 0.000 0.502 593 T N -2.722 111.761 114.554 -0.118 0.000 2.897 593 T HA 0.571 4.921 4.350 0.000 0.000 0.278 593 T C -0.117 174.549 174.700 -0.056 0.000 0.981 593 T CA -0.143 61.889 62.100 -0.115 0.000 0.973 593 T CB 2.219 70.849 68.868 -0.397 0.000 1.092 593 T HN 0.074 nan 8.240 nan 0.000 0.543 594 D N 0.818 121.235 120.400 0.028 0.000 2.422 594 D HA 0.175 4.816 4.640 0.000 0.000 0.227 594 D C 1.294 177.604 176.300 0.016 0.000 1.190 594 D CA -0.397 53.633 54.000 0.050 0.000 0.905 594 D CB 0.533 41.384 40.800 0.086 0.000 1.034 594 D HN 0.342 nan 8.370 nan 0.000 0.507 595 V N 3.695 123.578 119.914 -0.052 0.000 2.343 595 V HA -0.205 3.915 4.120 0.000 0.000 0.247 595 V C 1.740 177.841 176.094 0.012 0.000 1.051 595 V CA 1.519 63.762 62.300 -0.096 0.000 1.036 595 V CB -0.172 31.465 31.823 -0.310 0.000 0.654 595 V HN 0.503 nan 8.190 nan 0.000 0.451 596 D N -0.626 119.820 120.400 0.077 0.000 2.249 596 D HA -0.012 4.628 4.640 0.000 0.000 0.205 596 D C 1.243 177.549 176.300 0.010 0.000 0.962 596 D CA 0.809 54.865 54.000 0.094 0.000 0.860 596 D CB 0.096 41.023 40.800 0.210 0.000 0.955 596 D HN 0.498 nan 8.370 nan 0.000 0.505 597 Q N 0.803 120.577 119.800 -0.043 0.000 3.300 597 Q HA 0.220 4.560 4.340 0.000 0.000 0.271 597 Q C -2.536 173.527 176.000 0.105 0.000 0.926 597 Q CA -1.482 54.205 55.803 -0.194 0.000 0.788 597 Q CB 2.462 30.700 28.738 -0.833 0.000 1.385 597 Q HN 0.083 nan 8.270 nan 0.000 0.424 598 P HA -0.085 nan 4.420 nan 0.000 0.269 598 P C -0.335 177.171 177.300 0.343 0.000 1.217 598 P CA -0.008 63.281 63.100 0.315 0.000 0.783 598 P CB 0.624 32.511 31.700 0.311 0.000 0.898 599 R N 1.779 122.436 120.500 0.263 0.000 2.734 599 R HA 0.045 4.385 4.340 0.000 0.000 0.266 599 R C 0.339 176.674 176.300 0.058 0.000 1.044 599 R CA 0.250 56.422 56.100 0.121 0.000 1.128 599 R CB -0.690 29.582 30.300 -0.048 0.000 1.010 599 R HN 0.563 nan 8.270 nan 0.000 0.461 600 N N -0.850 117.886 118.700 0.059 0.000 2.955 600 N HA -0.209 4.531 4.740 0.000 0.000 0.230 600 N C -0.603 175.054 175.510 0.244 0.000 0.891 600 N CA 1.098 54.187 53.050 0.064 0.000 1.002 600 N CB -0.795 37.693 38.487 0.001 0.000 1.063 600 N HN 0.455 nan 8.380 nan 0.000 0.601 601 L N -0.030 121.303 121.223 0.182 0.000 2.299 601 L HA 0.913 5.253 4.340 0.000 0.000 0.268 601 L C 0.062 176.832 176.870 -0.168 0.000 1.012 601 L CA -0.868 54.035 54.840 0.105 0.000 0.816 601 L CB 1.578 43.689 42.059 0.087 0.000 1.355 601 L HN 0.082 nan 8.230 nan 0.000 0.457 602 A N -0.043 122.582 122.820 -0.325 0.000 2.594 602 A HA 0.440 4.760 4.320 0.000 0.000 0.295 602 A C -0.069 177.417 177.584 -0.164 0.000 1.071 602 A CA -0.523 51.302 52.037 -0.353 0.000 0.685 602 A CB 1.813 20.449 19.000 -0.607 0.000 1.285 602 A HN 0.646 nan 8.150 nan 0.000 0.405 603 K N 0.692 121.096 120.400 0.006 0.000 2.057 603 K HA -0.008 4.312 4.320 0.000 0.000 0.207 603 K C 0.685 177.271 176.600 -0.022 0.000 1.049 603 K CA 2.338 58.651 56.287 0.043 0.000 0.931 603 K CB -0.022 32.562 32.500 0.140 0.000 0.714 603 K HN 0.728 nan 8.250 nan 0.000 0.440 604 S N -0.284 115.374 115.700 -0.071 0.000 2.594 604 S HA 0.469 4.939 4.470 0.000 0.000 0.296 604 S C -1.383 173.050 174.600 -0.279 0.000 1.124 604 S CA -0.968 57.177 58.200 -0.091 0.000 1.011 604 S CB 1.388 64.653 63.200 0.109 0.000 1.016 604 S HN -0.053 nan 8.310 nan 0.000 0.485 605 V N 5.293 125.015 119.914 -0.320 0.000 2.368 605 V HA 0.324 4.444 4.120 0.000 0.000 0.266 605 V C 1.266 177.214 176.094 -0.244 0.000 1.045 605 V CA -0.124 61.898 62.300 -0.465 0.000 0.899 605 V CB 0.691 32.189 31.823 -0.541 0.000 1.006 605 V HN 1.037 nan 8.190 nan 0.000 0.470 606 T N 1.012 115.452 114.554 -0.190 0.000 3.134 606 T HA 0.364 4.714 4.350 0.000 0.000 0.260 606 T C 0.097 174.785 174.700 -0.021 0.000 1.027 606 T CA 0.132 62.179 62.100 -0.088 0.000 0.913 606 T CB 0.052 68.863 68.868 -0.095 0.000 1.046 606 T HN 0.602 nan 8.240 nan 0.000 0.553 607 V N -3.029 116.893 119.914 0.012 0.000 3.156 607 V HA 0.735 4.855 4.120 0.000 0.000 0.310 607 V C -0.898 175.253 176.094 0.095 0.000 1.234 607 V CA -1.471 60.881 62.300 0.086 0.000 1.065 607 V CB 2.009 33.938 31.823 0.175 0.000 1.088 607 V HN 0.218 nan 8.190 nan 0.000 0.451 608 E N 0.000 120.276 120.200 0.127 0.000 2.725 608 E HA 0.000 4.350 4.350 0.000 0.000 0.291 608 E CA 0.000 56.478 56.400 0.130 0.000 0.976 608 E CB 0.000 29.789 29.700 0.148 0.000 0.812 608 E HN 0.000 nan 8.360 nan 0.000 0.440