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 1zj8_1_B DATA FIRST_RESID 10 DATA SEQUENCE RNEGQWALGH REPLNANEEL KKAGNPLDVR ERIENIYAKQ GFDSIDKTDL DATA SEQUENCE RGRFRWWGLY TQREQGYDGT WTGDDNIDKL EAKYFMMRVR CDGGALSAAA DATA SEQUENCE LRTLGQISTE FARDTADISD RQNVQYHWIE VENVPEIWRR LDDVGLQTTE DATA SEQUENCE ACGDCPRVVL GSPLAGESLD EVLDPTWAIE EIVRRYIGKP DFADLPRKYK DATA SEQUENCE TAISGLQDVA HEINDVAFIG VNHPEHGPGL DLWVGGGLST NPMLAQRVGA DATA SEQUENCE WVPLGEVPEV WAAVTSVFRD YGYRRLRAKA RLKFLIKDWG IAKFREVLET DATA SEQUENCE EYLKRPLIDG PAPEPVKHPI DHVGVQRLKN GLNAVGVAPI AGRVSGTILT DATA SEQUENCE AVADLMARAG SDRIRFTPYQ KLVILDIPDA LLDDLIAGLD ALGLQSRPSH DATA SEQUENCE WRRNLMACSG IEFCKLSFAE TRVRAQHLVP ELERRLEDIN SQLDVPITVN DATA SEQUENCE INGCPNSCAR IQIADIGFKG QMIDDGHGGS VEGFQVHLGG HLGLDAGFGR DATA SEQUENCE KLRQHKVTSD ELGDYIDRVV RNFVKHRSEG ERFAQWVIRA EEDDLR 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 10 R HA 0.000 nan 4.340 nan 0.000 0.208 10 R C 0.000 176.198 176.300 -0.170 0.000 0.893 10 R CA 0.000 56.066 56.100 -0.057 0.000 0.921 10 R CB 0.000 30.279 30.300 -0.035 0.000 0.687 11 N N 2.080 120.549 118.700 -0.385 0.000 2.573 11 N HA -0.150 4.591 4.740 0.000 0.000 0.280 11 N C -0.256 175.151 175.510 -0.171 0.000 1.187 11 N CA 0.904 53.627 53.050 -0.546 0.000 0.717 11 N CB -0.116 38.072 38.487 -0.498 0.000 0.899 11 N HN 0.494 nan 8.380 nan 0.000 0.546 12 E N 0.838 121.023 120.200 -0.025 0.000 2.419 12 E HA 0.242 4.592 4.350 0.000 0.000 0.190 12 E C 1.618 178.299 176.600 0.135 0.000 1.040 12 E CA 0.559 56.971 56.400 0.020 0.000 0.900 12 E CB -0.401 29.278 29.700 -0.034 0.000 1.054 12 E HN 0.744 nan 8.360 nan 0.000 0.462 13 G N 1.433 110.317 108.800 0.140 0.000 2.175 13 G HA2 -0.326 3.635 3.960 0.000 0.000 0.244 13 G HA3 -0.326 3.635 3.960 0.000 0.000 0.244 13 G C 0.324 175.379 174.900 0.259 0.000 0.982 13 G CA -0.088 45.124 45.100 0.187 0.000 0.641 13 G HN 0.355 nan 8.290 nan 0.000 0.527 14 Q N -0.384 119.585 119.800 0.281 0.000 2.247 14 Q HA 0.165 4.505 4.340 0.000 0.000 0.288 14 Q C 1.114 177.268 176.000 0.255 0.000 1.079 14 Q CA -0.220 55.712 55.803 0.215 0.000 0.932 14 Q CB 0.333 29.210 28.738 0.231 0.000 1.133 14 Q HN 0.472 nan 8.270 nan 0.000 0.377 15 W N 1.748 123.015 121.300 -0.054 0.000 2.358 15 W HA -0.143 4.517 4.660 0.000 0.000 0.303 15 W C 1.959 178.387 176.519 -0.152 0.000 1.208 15 W CA 1.055 58.350 57.345 -0.083 0.000 1.274 15 W CB -0.682 28.730 29.460 -0.079 0.000 1.138 15 W HN 0.763 nan 8.180 nan 0.000 0.515 16 A N -0.634 122.157 122.820 -0.049 0.000 2.206 16 A HA 0.051 4.371 4.320 0.000 0.000 0.211 16 A C 1.715 179.166 177.584 -0.223 0.000 1.158 16 A CA 0.688 52.578 52.037 -0.245 0.000 0.761 16 A CB -0.715 17.852 19.000 -0.722 0.000 0.801 16 A HN 0.238 nan 8.150 nan 0.000 0.473 17 L N -1.443 119.672 121.223 -0.180 0.000 2.653 17 L HA 0.241 4.581 4.340 0.000 0.000 0.231 17 L C 1.683 178.290 176.870 -0.440 0.000 1.153 17 L CA 0.477 55.167 54.840 -0.250 0.000 0.933 17 L CB -0.220 41.732 42.059 -0.178 0.000 1.175 17 L HN 0.519 nan 8.230 nan 0.000 0.473 18 G N -0.303 108.350 108.800 -0.245 0.000 2.245 18 G HA2 -0.297 3.663 3.960 0.000 0.000 0.264 18 G HA3 -0.297 3.663 3.960 0.000 0.000 0.264 18 G C 0.358 175.187 174.900 -0.118 0.000 0.985 18 G CA 0.005 44.990 45.100 -0.192 0.000 0.625 18 G HN 0.484 nan 8.290 nan 0.000 0.536 19 H N 0.434 119.534 119.070 0.049 0.000 3.195 19 H HA 0.315 4.871 4.556 0.000 0.000 0.241 19 H C 1.499 176.885 175.328 0.098 0.000 1.823 19 H CA 0.314 56.401 56.048 0.066 0.000 1.466 19 H CB -0.002 29.812 29.762 0.087 0.000 1.819 19 H HN 0.465 nan 8.280 nan 0.000 0.575 20 R N 1.105 121.678 120.500 0.123 0.000 2.466 20 R HA 0.047 4.387 4.340 0.000 0.000 0.279 20 R C -0.260 176.059 176.300 0.033 0.000 0.976 20 R CA -0.120 55.998 56.100 0.031 0.000 1.081 20 R CB 0.483 30.668 30.300 -0.193 0.000 1.215 20 R HN 0.318 nan 8.270 nan 0.000 0.546 21 E N 1.753 122.005 120.200 0.086 0.000 2.277 21 E HA 0.223 4.573 4.350 0.000 0.000 0.274 21 E C -2.416 174.238 176.600 0.090 0.000 1.022 21 E CA -2.404 54.033 56.400 0.061 0.000 0.853 21 E CB 1.224 30.952 29.700 0.048 0.000 1.086 21 E HN 0.096 nan 8.360 nan 0.000 0.397 22 P HA 0.072 nan 4.420 nan 0.000 0.266 22 P C 0.174 177.512 177.300 0.063 0.000 1.215 22 P CA 0.278 63.426 63.100 0.081 0.000 0.763 22 P CB 0.431 32.167 31.700 0.061 0.000 0.806 23 L N 1.756 123.019 121.223 0.067 0.000 2.857 23 L HA 0.292 4.632 4.340 0.000 0.000 0.249 23 L C 0.403 177.298 176.870 0.041 0.000 1.172 23 L CA 0.081 54.948 54.840 0.045 0.000 0.980 23 L CB -0.255 41.828 42.059 0.040 0.000 1.299 23 L HN 0.319 nan 8.230 nan 0.000 0.535 24 N N -0.561 118.169 118.700 0.050 0.000 2.647 24 N HA 0.380 5.120 4.740 0.000 0.000 0.266 24 N C 0.542 176.083 175.510 0.050 0.000 1.373 24 N CA -0.094 52.985 53.050 0.049 0.000 0.807 24 N CB 1.754 40.277 38.487 0.060 0.000 1.513 24 N HN -0.169 nan 8.380 nan 0.000 0.505 25 A N 0.406 123.255 122.820 0.048 0.000 2.014 25 A HA -0.064 4.256 4.320 0.000 0.000 0.218 25 A C 1.503 179.124 177.584 0.062 0.000 1.163 25 A CA 1.442 53.507 52.037 0.048 0.000 0.652 25 A CB -0.592 18.433 19.000 0.042 0.000 0.808 25 A HN 0.712 nan 8.150 nan 0.000 0.449 26 N N -0.210 118.536 118.700 0.077 0.000 2.135 26 N HA -0.086 4.654 4.740 0.000 0.000 0.186 26 N C 1.557 177.132 175.510 0.110 0.000 1.027 26 N CA 1.162 54.275 53.050 0.105 0.000 0.849 26 N CB -0.117 38.441 38.487 0.119 0.000 1.002 26 N HN 0.265 nan 8.380 nan 0.000 0.425 27 E N 0.706 120.967 120.200 0.102 0.000 2.268 27 E HA -0.171 4.179 4.350 0.000 0.000 0.195 27 E C 1.411 178.069 176.600 0.096 0.000 0.995 27 E CA 0.644 57.113 56.400 0.115 0.000 0.836 27 E CB 0.029 29.802 29.700 0.122 0.000 0.763 27 E HN 0.522 nan 8.360 nan 0.000 0.491 28 E N 0.292 120.534 120.200 0.069 0.000 2.122 28 E HA -0.104 4.246 4.350 0.000 0.000 0.190 28 E C 2.105 178.723 176.600 0.030 0.000 0.977 28 E CA 0.304 56.732 56.400 0.047 0.000 0.820 28 E CB 0.107 29.830 29.700 0.038 0.000 0.770 28 E HN 0.181 nan 8.360 nan 0.000 0.462 29 L N -0.352 120.889 121.223 0.030 0.000 2.217 29 L HA 0.042 4.382 4.340 0.000 0.000 0.211 29 L C 1.765 178.617 176.870 -0.029 0.000 1.107 29 L CA 1.411 56.254 54.840 0.005 0.000 0.783 29 L CB -0.186 41.882 42.059 0.014 0.000 0.919 29 L HN -0.147 nan 8.230 nan 0.000 0.442 30 K N 0.132 120.524 120.400 -0.013 0.000 2.288 30 K HA 0.000 4.320 4.320 0.000 0.000 0.201 30 K C 1.590 178.181 176.600 -0.015 0.000 1.048 30 K CA 0.533 56.793 56.287 -0.045 0.000 0.956 30 K CB -0.038 32.484 32.500 0.037 0.000 0.746 30 K HN 0.243 nan 8.250 nan 0.000 0.461 31 K N 0.379 120.784 120.400 0.008 0.000 2.504 31 K HA -0.009 4.311 4.320 0.000 0.000 0.195 31 K C 1.385 177.968 176.600 -0.029 0.000 1.036 31 K CA 0.452 56.735 56.287 -0.007 0.000 0.984 31 K CB 0.067 32.566 32.500 -0.002 0.000 0.788 31 K HN 0.076 nan 8.250 nan 0.000 0.488 32 A N 1.105 123.905 122.820 -0.034 0.000 2.291 32 A HA 0.371 4.691 4.320 0.000 0.000 0.220 32 A C 0.738 178.295 177.584 -0.044 0.000 1.262 32 A CA 0.629 52.645 52.037 -0.035 0.000 0.867 32 A CB -0.443 18.540 19.000 -0.028 0.000 0.888 32 A HN 0.338 nan 8.150 nan 0.000 0.487 33 G N -0.443 108.325 108.800 -0.054 0.000 2.555 33 G HA2 -0.046 3.915 3.960 0.000 0.000 0.686 33 G HA3 -0.046 3.915 3.960 0.000 0.000 0.686 33 G C -0.527 174.322 174.900 -0.086 0.000 1.275 33 G CA -0.425 44.641 45.100 -0.057 0.000 0.871 33 G HN 0.652 nan 8.290 nan 0.000 0.603 34 N N 1.113 119.768 118.700 -0.076 0.000 2.365 34 N HA 0.229 4.969 4.740 0.000 0.000 0.265 34 N C -0.496 174.902 175.510 -0.187 0.000 1.288 34 N CA -0.926 52.059 53.050 -0.108 0.000 0.869 34 N CB 1.075 39.532 38.487 -0.050 0.000 1.071 34 N HN 0.158 nan 8.380 nan 0.000 0.480 35 P HA -0.120 nan 4.420 nan 0.000 0.216 35 P C 1.340 178.488 177.300 -0.254 0.000 1.150 35 P CA 1.040 63.789 63.100 -0.585 0.000 0.837 35 P CB 0.163 30.863 31.700 -1.668 0.000 0.786 36 L N -0.733 120.395 121.223 -0.158 0.000 2.551 36 L HA -0.176 4.164 4.340 0.000 0.000 0.230 36 L C 1.419 178.473 176.870 0.307 0.000 1.163 36 L CA 1.070 56.001 54.840 0.151 0.000 0.826 36 L CB -0.856 41.242 42.059 0.064 0.000 0.943 36 L HN -0.022 nan 8.230 nan 0.000 0.452 37 D N -0.777 119.697 120.400 0.122 0.000 2.264 37 D HA -0.117 4.523 4.640 0.000 0.000 0.208 37 D C 2.284 178.635 176.300 0.085 0.000 0.966 37 D CA 0.690 54.741 54.000 0.086 0.000 0.864 37 D CB -0.066 40.748 40.800 0.023 0.000 0.933 37 D HN 0.096 nan 8.370 nan 0.000 0.499 38 V N 0.965 120.965 119.914 0.143 0.000 2.453 38 V HA -0.283 3.837 4.120 0.000 0.000 0.252 38 V C 2.499 178.588 176.094 -0.009 0.000 1.068 38 V CA 1.393 63.773 62.300 0.133 0.000 1.070 38 V CB -0.470 31.504 31.823 0.251 0.000 0.664 38 V HN 0.222 nan 8.190 nan 0.000 0.461 39 R N -0.063 120.346 120.500 -0.152 0.000 2.133 39 R HA -0.229 4.111 4.340 0.000 0.000 0.247 39 R C 2.318 178.472 176.300 -0.243 0.000 1.151 39 R CA 1.951 57.762 56.100 -0.481 0.000 0.971 39 R CB -0.109 29.639 30.300 -0.919 0.000 0.866 39 R HN 0.601 nan 8.270 nan 0.000 0.447 40 E N 0.167 120.276 120.200 -0.151 0.000 2.047 40 E HA -0.177 4.173 4.350 0.000 0.000 0.191 40 E C 2.018 178.548 176.600 -0.116 0.000 0.987 40 E CA 1.087 57.418 56.400 -0.115 0.000 0.799 40 E CB -0.414 29.235 29.700 -0.086 0.000 0.752 40 E HN 0.365 nan 8.360 nan 0.000 0.449 41 R N 0.325 120.753 120.500 -0.120 0.000 2.159 41 R HA -0.068 4.272 4.340 0.000 0.000 0.237 41 R C 2.289 178.427 176.300 -0.270 0.000 1.131 41 R CA 0.785 56.741 56.100 -0.241 0.000 0.982 41 R CB -0.173 30.010 30.300 -0.196 0.000 0.868 41 R HN 0.187 nan 8.270 nan 0.000 0.453 42 I N 0.609 121.154 120.570 -0.042 0.000 2.233 42 I HA -0.170 4.000 4.170 0.000 0.000 0.243 42 I C 1.825 177.932 176.117 -0.016 0.000 1.093 42 I CA 1.491 62.820 61.300 0.048 0.000 1.380 42 I CB -0.913 37.073 38.000 -0.024 0.000 1.067 42 I HN 0.195 nan 8.210 nan 0.000 0.413 43 E N 0.757 120.941 120.200 -0.026 0.000 2.107 43 E HA -0.148 4.202 4.350 0.000 0.000 0.191 43 E C 1.864 178.431 176.600 -0.055 0.000 0.982 43 E CA 0.824 57.209 56.400 -0.025 0.000 0.809 43 E CB 0.056 29.743 29.700 -0.021 0.000 0.756 43 E HN 0.483 nan 8.360 nan 0.000 0.459 44 N N 0.311 118.956 118.700 -0.091 0.000 2.182 44 N HA -0.048 4.692 4.740 0.000 0.000 0.186 44 N C 1.694 177.135 175.510 -0.115 0.000 1.036 44 N CA 0.902 53.893 53.050 -0.098 0.000 0.850 44 N CB 0.069 38.490 38.487 -0.111 0.000 1.010 44 N HN 0.065 nan 8.380 nan 0.000 0.432 45 I N 0.215 120.662 120.570 -0.206 0.000 2.956 45 I HA -0.047 4.123 4.170 0.000 0.000 0.233 45 I C 2.073 178.135 176.117 -0.091 0.000 1.054 45 I CA 0.646 61.807 61.300 -0.231 0.000 1.456 45 I CB -1.740 35.958 38.000 -0.504 0.000 1.297 45 I HN -0.016 nan 8.210 nan 0.000 0.448 46 Y N 1.793 122.105 120.300 0.020 0.000 2.224 46 Y HA -0.049 4.501 4.550 0.000 0.000 0.289 46 Y C 2.569 178.480 175.900 0.018 0.000 1.146 46 Y CA 0.879 59.002 58.100 0.038 0.000 1.182 46 Y CB -1.472 37.047 38.460 0.099 0.000 0.983 46 Y HN 0.206 nan 8.280 nan 0.000 0.524 47 A N -0.712 122.182 122.820 0.123 0.000 2.248 47 A HA -0.086 4.234 4.320 0.000 0.000 0.210 47 A C 1.852 179.455 177.584 0.032 0.000 1.174 47 A CA 1.186 53.245 52.037 0.037 0.000 0.750 47 A CB -0.429 18.546 19.000 -0.042 0.000 0.780 47 A HN 0.319 nan 8.150 nan 0.000 0.478 48 K N -1.359 119.069 120.400 0.047 0.000 2.273 48 K HA 0.167 4.487 4.320 0.000 0.000 0.206 48 K C 1.954 178.589 176.600 0.058 0.000 1.072 48 K CA 0.883 57.192 56.287 0.036 0.000 0.953 48 K CB -0.230 32.280 32.500 0.016 0.000 1.043 48 K HN 0.284 nan 8.250 nan 0.000 0.477 49 Q N -0.117 119.731 119.800 0.079 0.000 2.230 49 Q HA 0.150 4.490 4.340 0.000 0.000 0.202 49 Q C 0.446 176.510 176.000 0.108 0.000 0.963 49 Q CA 1.097 56.953 55.803 0.089 0.000 0.866 49 Q CB 0.292 29.092 28.738 0.103 0.000 0.931 49 Q HN 0.418 nan 8.270 nan 0.000 0.452 50 G N -0.966 107.915 108.800 0.135 0.000 2.582 50 G HA2 -0.324 3.636 3.960 0.000 0.000 0.222 50 G HA3 -0.324 3.636 3.960 0.000 0.000 0.222 50 G C 0.067 175.074 174.900 0.179 0.000 1.311 50 G CA -0.256 44.936 45.100 0.154 0.000 0.915 50 G HN 0.209 nan 8.290 nan 0.000 0.528 51 F N 0.765 120.745 119.950 0.050 0.000 2.161 51 F HA -0.020 4.507 4.527 0.000 0.000 0.300 51 F C 2.373 178.161 175.800 -0.020 0.000 1.089 51 F CA 2.673 60.687 58.000 0.023 0.000 1.282 51 F CB 0.137 39.111 39.000 -0.042 0.000 1.010 51 F HN 0.439 nan 8.300 nan 0.000 0.485 52 D N -0.860 119.641 120.400 0.169 0.000 2.347 52 D HA -0.077 4.563 4.640 0.000 0.000 0.213 52 D C 2.273 178.590 176.300 0.030 0.000 0.985 52 D CA 1.162 55.224 54.000 0.102 0.000 0.879 52 D CB -0.037 40.837 40.800 0.123 0.000 0.919 52 D HN 0.385 nan 8.370 nan 0.000 0.526 53 S N 0.335 116.067 115.700 0.055 0.000 2.481 53 S HA -0.018 4.452 4.470 0.000 0.000 0.231 53 S C 1.188 175.846 174.600 0.096 0.000 0.996 53 S CA -0.028 58.245 58.200 0.121 0.000 0.942 53 S CB -0.217 63.121 63.200 0.231 0.000 0.768 53 S HN 0.137 nan 8.310 nan 0.000 0.520 54 I N 3.166 123.595 120.570 -0.235 0.000 2.452 54 I HA 0.157 4.327 4.170 0.000 0.000 0.287 54 I C -0.343 175.539 176.117 -0.392 0.000 1.079 54 I CA -0.444 60.431 61.300 -0.709 0.000 1.387 54 I CB 0.135 37.498 38.000 -1.061 0.000 1.404 54 I HN 0.043 nan 8.210 nan 0.000 0.522 55 D N 5.969 126.247 120.400 -0.204 0.000 2.455 55 D HA 0.001 4.641 4.640 0.000 0.000 0.241 55 D C 1.075 177.268 176.300 -0.179 0.000 1.138 55 D CA 0.213 54.161 54.000 -0.088 0.000 0.877 55 D CB 0.890 41.719 40.800 0.048 0.000 1.187 55 D HN 0.431 nan 8.370 nan 0.000 0.451 56 K N 0.538 120.866 120.400 -0.120 0.000 2.147 56 K HA -0.135 4.185 4.320 0.000 0.000 0.205 56 K C 1.908 178.452 176.600 -0.095 0.000 1.049 56 K CA 1.409 57.624 56.287 -0.120 0.000 0.936 56 K CB -0.063 32.400 32.500 -0.061 0.000 0.722 56 K HN 0.586 nan 8.250 nan 0.000 0.446 57 T N -1.176 113.348 114.554 -0.050 0.000 2.985 57 T HA -0.056 4.295 4.350 0.000 0.000 0.266 57 T C 1.264 175.963 174.700 -0.003 0.000 1.076 57 T CA 0.984 63.076 62.100 -0.013 0.000 1.135 57 T CB -0.097 68.776 68.868 0.008 0.000 0.890 57 T HN 0.018 nan 8.240 nan 0.000 0.480 58 D N 1.268 121.653 120.400 -0.025 0.000 2.084 58 D HA 0.034 4.674 4.640 0.000 0.000 0.196 58 D C 1.943 178.097 176.300 -0.243 0.000 0.985 58 D CA 0.555 54.569 54.000 0.023 0.000 0.826 58 D CB -0.554 40.295 40.800 0.082 0.000 0.978 58 D HN 0.200 nan 8.370 nan 0.000 0.456 59 L N 0.749 121.631 121.223 -0.568 0.000 1.990 59 L HA -0.136 4.204 4.340 0.000 0.000 0.213 59 L C 1.736 178.420 176.870 -0.311 0.000 1.072 59 L CA 1.857 56.230 54.840 -0.778 0.000 0.755 59 L CB -0.078 41.612 42.059 -0.616 0.000 0.889 59 L HN -0.062 nan 8.230 nan 0.000 0.432 60 R N -1.576 118.844 120.500 -0.134 0.000 2.334 60 R HA 0.242 4.582 4.340 0.000 0.000 0.216 60 R C 1.277 177.617 176.300 0.068 0.000 0.905 60 R CA 0.469 56.564 56.100 -0.008 0.000 1.064 60 R CB 0.226 30.528 30.300 0.003 0.000 1.046 60 R HN 0.553 nan 8.270 nan 0.000 0.508 61 G N 0.192 109.056 108.800 0.106 0.000 2.522 61 G HA2 -0.010 3.950 3.960 0.000 0.000 0.177 61 G HA3 -0.010 3.950 3.960 0.000 0.000 0.177 61 G C 1.051 176.180 174.900 0.382 0.000 1.298 61 G CA -0.349 44.886 45.100 0.225 0.000 0.670 61 G HN -0.026 nan 8.290 nan 0.000 0.664 62 R N -0.306 120.359 120.500 0.274 0.000 2.189 62 R HA 0.100 4.441 4.340 0.000 0.000 0.223 62 R C 2.194 178.818 176.300 0.541 0.000 1.092 62 R CA 0.644 56.915 56.100 0.285 0.000 0.989 62 R CB -0.338 30.039 30.300 0.128 0.000 0.876 62 R HN 0.290 nan 8.270 nan 0.000 0.457 63 F N 1.380 121.468 119.950 0.230 0.000 2.202 63 F HA -0.156 4.371 4.527 0.000 0.000 0.301 63 F C 2.241 178.178 175.800 0.228 0.000 1.082 63 F CA 1.240 59.372 58.000 0.220 0.000 1.313 63 F CB -0.263 38.794 39.000 0.094 0.000 1.024 63 F HN -0.074 nan 8.300 nan 0.000 0.495 64 R N -1.044 119.640 120.500 0.307 0.000 2.105 64 R HA -0.226 4.114 4.340 0.000 0.000 0.239 64 R C 2.128 178.454 176.300 0.043 0.000 1.135 64 R CA 1.467 57.543 56.100 -0.039 0.000 0.967 64 R CB -0.807 29.339 30.300 -0.257 0.000 0.861 64 R HN 0.381 nan 8.270 nan 0.000 0.442 65 W N -0.567 120.723 121.300 -0.017 0.000 2.632 65 W HA -0.159 4.501 4.660 0.000 0.000 0.248 65 W C 0.194 176.457 176.519 -0.426 0.000 1.259 65 W CA 0.380 57.619 57.345 -0.177 0.000 1.288 65 W CB -0.060 29.295 29.460 -0.174 0.000 1.136 65 W HN 0.277 nan 8.180 nan 0.000 0.640 66 W N -0.161 121.263 121.300 0.207 0.000 2.653 66 W HA 0.361 5.021 4.660 0.000 0.000 0.391 66 W C 1.388 178.002 176.519 0.158 0.000 0.962 66 W CA 0.440 57.890 57.345 0.175 0.000 1.900 66 W CB 0.070 29.661 29.460 0.218 0.000 1.176 66 W HN -0.041 nan 8.180 nan 0.000 0.582 67 G N 1.395 110.330 108.800 0.226 0.000 2.198 67 G HA2 -0.319 3.642 3.960 0.000 0.000 0.260 67 G HA3 -0.319 3.642 3.960 0.000 0.000 0.260 67 G C -0.305 174.737 174.900 0.237 0.000 1.025 67 G CA -0.131 45.095 45.100 0.211 0.000 0.769 67 G HN 0.219 nan 8.290 nan 0.000 0.507 68 L N 0.233 121.576 121.223 0.200 0.000 2.277 68 L HA 0.578 4.918 4.340 0.000 0.000 0.284 68 L C -0.132 176.927 176.870 0.315 0.000 1.028 68 L CA -1.081 53.904 54.840 0.241 0.000 0.835 68 L CB 0.816 42.918 42.059 0.072 0.000 1.215 68 L HN 0.146 nan 8.230 nan 0.000 0.425 69 Y N 1.226 121.741 120.300 0.359 0.000 2.409 69 Y HA 0.297 4.847 4.550 0.000 0.000 0.339 69 Y C 0.934 177.055 175.900 0.368 0.000 1.033 69 Y CA -0.282 58.005 58.100 0.313 0.000 1.094 69 Y CB 2.170 40.732 38.460 0.170 0.000 1.210 69 Y HN 0.352 nan 8.280 nan 0.000 0.456 70 T N 3.681 118.473 114.554 0.398 0.000 2.919 70 T HA 0.130 4.480 4.350 0.000 0.000 0.302 70 T C -0.293 174.473 174.700 0.110 0.000 1.031 70 T CA -0.492 61.673 62.100 0.108 0.000 1.127 70 T CB 0.158 69.060 68.868 0.056 0.000 0.952 70 T HN 0.674 nan 8.240 nan 0.000 0.540 71 Q N 3.383 123.189 119.800 0.010 0.000 2.195 71 Q HA 0.491 4.831 4.340 0.000 0.000 0.250 71 Q C -0.135 175.866 176.000 0.002 0.000 0.988 71 Q CA -1.134 54.694 55.803 0.041 0.000 0.911 71 Q CB 1.169 29.917 28.738 0.016 0.000 1.258 71 Q HN 0.462 nan 8.270 nan 0.000 0.475 72 R N 1.216 121.729 120.500 0.022 0.000 2.347 72 R HA 0.042 4.382 4.340 0.000 0.000 0.304 72 R C -0.524 175.770 176.300 -0.010 0.000 1.072 72 R CA -0.259 55.842 56.100 0.001 0.000 0.980 72 R CB 0.696 30.994 30.300 -0.004 0.000 0.986 72 R HN 0.733 nan 8.270 nan 0.000 0.448 73 E N 2.889 123.101 120.200 0.019 0.000 2.413 73 E HA -0.059 4.291 4.350 0.000 0.000 0.263 73 E C -0.631 176.014 176.600 0.075 0.000 1.015 73 E CA 0.174 56.611 56.400 0.061 0.000 0.916 73 E CB 0.716 30.484 29.700 0.113 0.000 0.947 73 E HN 0.322 nan 8.360 nan 0.000 0.440 74 Q N 2.019 121.831 119.800 0.019 0.000 2.368 74 Q HA 0.374 4.714 4.340 0.000 0.000 0.237 74 Q C 0.952 176.851 176.000 -0.167 0.000 0.987 74 Q CA 0.611 56.389 55.803 -0.042 0.000 0.896 74 Q CB 1.091 29.830 28.738 0.001 0.000 1.241 74 Q HN 0.897 nan 8.270 nan 0.000 0.485 75 G N 0.475 109.159 108.800 -0.194 0.000 2.195 75 G HA2 -0.270 3.690 3.960 0.000 0.000 0.246 75 G HA3 -0.270 3.690 3.960 0.000 0.000 0.246 75 G C -0.546 174.092 174.900 -0.436 0.000 0.984 75 G CA -0.099 44.805 45.100 -0.327 0.000 0.633 75 G HN 0.455 nan 8.290 nan 0.000 0.525 76 Y N 2.696 122.890 120.300 -0.178 0.000 2.341 76 Y HA 0.512 5.062 4.550 0.000 0.000 0.340 76 Y C 0.720 176.620 175.900 0.001 0.000 0.997 76 Y CA -0.761 57.216 58.100 -0.206 0.000 1.149 76 Y CB 1.052 39.325 38.460 -0.312 0.000 1.171 76 Y HN 0.376 nan 8.280 nan 0.000 0.494 77 D N 0.346 120.921 120.400 0.291 0.000 2.506 77 D HA 0.233 4.873 4.640 0.000 0.000 0.272 77 D C 1.559 178.042 176.300 0.306 0.000 1.214 77 D CA -0.520 53.620 54.000 0.233 0.000 1.067 77 D CB 0.270 41.168 40.800 0.164 0.000 1.117 77 D HN 0.566 nan 8.370 nan 0.000 0.578 78 G N -1.291 107.641 108.800 0.219 0.000 2.499 78 G HA2 -0.279 3.682 3.960 0.000 0.000 0.221 78 G HA3 -0.279 3.682 3.960 0.000 0.000 0.221 78 G C 1.348 176.408 174.900 0.267 0.000 1.109 78 G CA 1.369 46.638 45.100 0.283 0.000 0.749 78 G HN 0.560 nan 8.290 nan 0.000 0.568 79 T N 0.008 114.663 114.554 0.168 0.000 2.685 79 T HA -0.211 4.139 4.350 0.000 0.000 0.268 79 T C 1.850 176.485 174.700 -0.108 0.000 1.034 79 T CA 1.666 63.751 62.100 -0.025 0.000 1.149 79 T CB -0.278 68.503 68.868 -0.145 0.000 0.860 79 T HN 0.640 nan 8.240 nan 0.000 0.449 80 W N 1.107 122.458 121.300 0.086 0.000 2.863 80 W HA 0.216 4.876 4.660 0.000 0.000 0.258 80 W C 0.994 177.514 176.519 0.002 0.000 1.298 80 W CA -0.170 57.194 57.345 0.031 0.000 1.451 80 W CB -0.603 28.864 29.460 0.012 0.000 1.107 80 W HN -0.062 nan 8.180 nan 0.000 0.641 81 T N 1.373 116.069 114.554 0.236 0.000 2.867 81 T HA 0.444 4.794 4.350 0.000 0.000 0.297 81 T C 0.429 175.209 174.700 0.134 0.000 0.989 81 T CA 1.020 63.188 62.100 0.114 0.000 1.159 81 T CB 0.279 69.119 68.868 -0.045 0.000 0.928 81 T HN 0.229 nan 8.240 nan 0.000 0.538 82 G N 2.585 111.429 108.800 0.074 0.000 2.358 82 G HA2 0.242 4.202 3.960 0.000 0.000 0.301 82 G HA3 0.242 4.202 3.960 0.000 0.000 0.301 82 G C -0.130 174.798 174.900 0.046 0.000 1.539 82 G CA -0.790 44.355 45.100 0.074 0.000 0.893 82 G HN 0.434 nan 8.290 nan 0.000 0.636 83 D N 0.202 120.628 120.400 0.043 0.000 2.182 83 D HA -0.064 4.577 4.640 0.000 0.000 0.201 83 D C 2.111 178.430 176.300 0.031 0.000 0.986 83 D CA 1.733 55.754 54.000 0.035 0.000 0.847 83 D CB 0.115 40.937 40.800 0.036 0.000 0.942 83 D HN 0.575 nan 8.370 nan 0.000 0.467 84 D N -0.277 120.142 120.400 0.031 0.000 2.310 84 D HA -0.106 4.534 4.640 0.000 0.000 0.212 84 D C 0.801 177.123 176.300 0.037 0.000 0.965 84 D CA 0.507 54.524 54.000 0.029 0.000 0.879 84 D CB -0.492 40.321 40.800 0.021 0.000 0.921 84 D HN 0.224 nan 8.370 nan 0.000 0.510 85 N N 0.367 119.093 118.700 0.044 0.000 2.214 85 N HA 0.156 4.897 4.740 0.000 0.000 0.214 85 N C 1.722 177.225 175.510 -0.012 0.000 1.132 85 N CA -0.129 52.951 53.050 0.050 0.000 0.856 85 N CB 0.821 39.384 38.487 0.127 0.000 1.020 85 N HN 0.288 nan 8.380 nan 0.000 0.509 86 I N 0.830 121.398 120.570 -0.003 0.000 2.143 86 I HA -0.338 3.832 4.170 0.000 0.000 0.245 86 I C 1.222 177.320 176.117 -0.031 0.000 1.068 86 I CA 1.742 63.034 61.300 -0.013 0.000 1.326 86 I CB -0.595 37.411 38.000 0.009 0.000 1.028 86 I HN -0.053 nan 8.210 nan 0.000 0.412 87 D N 0.910 121.297 120.400 -0.022 0.000 2.218 87 D HA -0.129 4.511 4.640 0.000 0.000 0.204 87 D C 2.186 178.450 176.300 -0.060 0.000 0.976 87 D CA 0.846 54.835 54.000 -0.019 0.000 0.853 87 D CB -0.080 40.720 40.800 -0.000 0.000 0.939 87 D HN 0.308 nan 8.370 nan 0.000 0.481 88 K N 0.386 120.710 120.400 -0.126 0.000 2.007 88 K HA 0.046 4.366 4.320 0.000 0.000 0.206 88 K C 2.146 178.546 176.600 -0.332 0.000 1.047 88 K CA 0.536 56.660 56.287 -0.271 0.000 0.937 88 K CB -0.492 31.703 32.500 -0.509 0.000 0.718 88 K HN 0.262 nan 8.250 nan 0.000 0.438 89 L N 1.127 122.154 121.223 -0.326 0.000 2.362 89 L HA -0.042 4.298 4.340 0.000 0.000 0.219 89 L C 1.125 177.943 176.870 -0.087 0.000 1.134 89 L CA 0.359 55.067 54.840 -0.220 0.000 0.807 89 L CB -0.289 41.680 42.059 -0.150 0.000 0.927 89 L HN 0.207 nan 8.230 nan 0.000 0.447 90 E N 1.363 121.521 120.200 -0.070 0.000 1.996 90 E HA 0.369 4.719 4.350 0.000 0.000 0.280 90 E C 0.065 176.605 176.600 -0.100 0.000 1.092 90 E CA -0.391 55.986 56.400 -0.040 0.000 0.862 90 E CB 0.785 30.493 29.700 0.013 0.000 1.066 90 E HN 0.229 nan 8.360 nan 0.000 0.396 91 A N 4.343 127.086 122.820 -0.129 0.000 2.280 91 A HA 0.118 4.438 4.320 0.000 0.000 0.268 91 A C 0.755 177.976 177.584 -0.606 0.000 1.111 91 A CA -0.288 51.627 52.037 -0.203 0.000 0.814 91 A CB 0.427 19.406 19.000 -0.035 0.000 1.093 91 A HN 0.803 nan 8.150 nan 0.000 0.498 92 K N -0.620 119.338 120.400 -0.736 0.000 2.469 92 K HA 0.167 4.487 4.320 0.000 0.000 0.201 92 K C -1.256 174.789 176.600 -0.925 0.000 1.028 92 K CA 0.172 55.610 56.287 -1.414 0.000 1.170 92 K CB -0.182 31.721 32.500 -0.994 0.000 0.874 92 K HN 0.583 nan 8.250 nan 0.000 0.507 93 Y N -0.608 119.447 120.300 -0.407 0.000 2.598 93 Y HA 0.461 5.011 4.550 0.000 0.000 0.340 93 Y C -0.513 175.198 175.900 -0.315 0.000 1.038 93 Y CA -1.230 56.780 58.100 -0.149 0.000 1.100 93 Y CB 1.289 39.753 38.460 0.007 0.000 1.281 93 Y HN -0.176 nan 8.280 nan 0.000 0.488 94 F N 1.656 121.769 119.950 0.273 0.000 2.546 94 F HA 0.438 4.965 4.527 0.000 0.000 0.320 94 F C 0.009 175.845 175.800 0.060 0.000 1.076 94 F CA -1.106 57.007 58.000 0.188 0.000 0.928 94 F CB 1.672 40.793 39.000 0.202 0.000 1.189 94 F HN 0.193 nan 8.300 nan 0.000 0.465 95 M N 4.804 124.517 119.600 0.188 0.000 2.185 95 M HA 0.368 4.848 4.480 0.000 0.000 0.357 95 M C -1.393 174.942 176.300 0.059 0.000 1.260 95 M CA 0.125 55.329 55.300 -0.159 0.000 1.124 95 M CB 0.861 33.328 32.600 -0.223 0.000 1.600 95 M HN 0.804 nan 8.290 nan 0.000 0.467 96 M N 5.687 125.285 119.600 -0.002 0.000 2.243 96 M HA 0.410 4.890 4.480 0.000 0.000 0.324 96 M C -0.923 175.388 176.300 0.018 0.000 1.031 96 M CA -0.472 54.888 55.300 0.101 0.000 0.949 96 M CB 1.684 34.389 32.600 0.176 0.000 1.615 96 M HN 0.760 nan 8.290 nan 0.000 0.430 97 R N 4.340 124.874 120.500 0.058 0.000 2.360 97 R HA 0.593 4.934 4.340 0.000 0.000 0.318 97 R C -1.902 174.416 176.300 0.030 0.000 0.950 97 R CA -0.524 55.571 56.100 -0.008 0.000 0.837 97 R CB 1.269 31.595 30.300 0.043 0.000 1.165 97 R HN 0.584 nan 8.270 nan 0.000 0.458 98 V N 5.352 125.241 119.914 -0.042 0.000 2.432 98 V HA 0.284 4.404 4.120 0.000 0.000 0.275 98 V C 0.663 176.778 176.094 0.036 0.000 1.043 98 V CA -0.565 61.754 62.300 0.032 0.000 0.925 98 V CB 1.111 32.940 31.823 0.010 0.000 0.985 98 V HN 0.698 nan 8.190 nan 0.000 0.466 99 R N 3.780 124.322 120.500 0.069 0.000 2.316 99 R HA 0.273 4.613 4.340 0.000 0.000 0.314 99 R C -0.980 175.353 176.300 0.054 0.000 1.069 99 R CA -0.189 55.940 56.100 0.048 0.000 0.959 99 R CB 0.237 30.562 30.300 0.042 0.000 0.987 99 R HN 0.802 nan 8.270 nan 0.000 0.446 100 C N 5.018 124.350 119.300 0.054 0.000 3.169 100 C HA 0.232 4.693 4.460 0.000 0.000 0.232 100 C C -0.570 174.441 174.990 0.035 0.000 1.316 100 C CA -1.153 57.907 59.018 0.069 0.000 1.545 100 C CB -0.353 27.479 27.740 0.155 0.000 1.785 100 C HN 0.757 nan 8.230 nan 0.000 0.454 101 D N 1.263 121.662 120.400 -0.000 0.000 2.533 101 D HA 0.202 4.842 4.640 0.000 0.000 0.236 101 D C 1.338 177.621 176.300 -0.028 0.000 1.137 101 D CA 1.962 55.944 54.000 -0.030 0.000 0.867 101 D CB 0.774 41.535 40.800 -0.065 0.000 1.170 101 D HN 0.895 nan 8.370 nan 0.000 0.474 102 G N 2.399 111.183 108.800 -0.027 0.000 2.196 102 G HA2 -0.324 3.636 3.960 0.000 0.000 0.268 102 G HA3 -0.324 3.636 3.960 0.000 0.000 0.268 102 G C 1.119 176.012 174.900 -0.011 0.000 0.975 102 G CA 0.510 45.596 45.100 -0.023 0.000 0.648 102 G HN 1.224 nan 8.290 nan 0.000 0.538 103 G N -1.249 107.562 108.800 0.018 0.000 2.175 103 G HA2 0.133 4.093 3.960 0.000 0.000 0.265 103 G HA3 0.133 4.093 3.960 0.000 0.000 0.265 103 G C 0.675 175.532 174.900 -0.072 0.000 0.979 103 G CA 1.400 46.524 45.100 0.041 0.000 0.663 103 G HN 2.351 nan 8.290 nan 0.000 0.533 104 A N -0.057 122.724 122.820 -0.065 0.000 2.276 104 A HA 0.821 5.141 4.320 0.000 0.000 0.300 104 A C 0.067 177.592 177.584 -0.098 0.000 1.235 104 A CA -0.130 51.848 52.037 -0.098 0.000 0.867 104 A CB 0.642 19.602 19.000 -0.067 0.000 1.137 104 A HN 0.816 nan 8.150 nan 0.000 0.527 105 L N 1.992 123.129 121.223 -0.142 0.000 2.393 105 L HA 0.500 4.840 4.340 0.000 0.000 0.260 105 L C 0.601 177.420 176.870 -0.085 0.000 1.002 105 L CA -0.760 54.015 54.840 -0.107 0.000 0.818 105 L CB 2.545 44.512 42.059 -0.153 0.000 1.369 105 L HN 0.838 nan 8.230 nan 0.000 0.412 106 S N 0.435 116.108 115.700 -0.044 0.000 2.655 106 S HA 0.474 4.944 4.470 0.000 0.000 0.265 106 S C 1.020 175.604 174.600 -0.026 0.000 1.240 106 S CA -0.012 58.170 58.200 -0.031 0.000 0.986 106 S CB 1.537 64.731 63.200 -0.011 0.000 0.985 106 S HN 0.723 nan 8.310 nan 0.000 0.562 107 A N 0.942 123.752 122.820 -0.016 0.000 1.898 107 A HA 0.189 4.509 4.320 0.000 0.000 0.216 107 A C 2.375 179.966 177.584 0.013 0.000 1.181 107 A CA 1.668 53.703 52.037 -0.005 0.000 0.620 107 A CB -1.708 17.291 19.000 -0.002 0.000 0.819 107 A HN 1.292 nan 8.150 nan 0.000 0.442 108 A N -0.094 122.736 122.820 0.015 0.000 1.902 108 A HA 0.142 4.463 4.320 0.000 0.000 0.217 108 A C 2.484 180.093 177.584 0.042 0.000 1.181 108 A CA 2.109 54.163 52.037 0.028 0.000 0.623 108 A CB -0.964 18.051 19.000 0.025 0.000 0.818 108 A HN 1.050 nan 8.150 nan 0.000 0.443 109 A N -0.725 122.118 122.820 0.038 0.000 1.930 109 A HA 0.012 4.332 4.320 0.000 0.000 0.217 109 A C 2.108 179.741 177.584 0.082 0.000 1.175 109 A CA 1.611 53.684 52.037 0.059 0.000 0.627 109 A CB -0.538 18.490 19.000 0.046 0.000 0.815 109 A HN 0.637 nan 8.150 nan 0.000 0.443 110 L N -0.161 121.098 121.223 0.060 0.000 2.093 110 L HA -0.085 4.255 4.340 0.000 0.000 0.208 110 L C 2.431 179.362 176.870 0.103 0.000 1.085 110 L CA 2.221 57.113 54.840 0.086 0.000 0.755 110 L CB -0.502 41.581 42.059 0.040 0.000 0.904 110 L HN 0.473 nan 8.230 nan 0.000 0.435 111 R N -1.365 119.180 120.500 0.075 0.000 2.073 111 R HA -0.156 4.184 4.340 0.000 0.000 0.234 111 R C 2.030 178.382 176.300 0.088 0.000 1.134 111 R CA 2.014 58.157 56.100 0.072 0.000 0.952 111 R CB -0.429 29.901 30.300 0.050 0.000 0.850 111 R HN 0.375 nan 8.270 nan 0.000 0.433 112 T N 1.580 116.192 114.554 0.096 0.000 2.708 112 T HA -0.121 4.229 4.350 0.000 0.000 0.266 112 T C 1.675 176.470 174.700 0.159 0.000 1.037 112 T CA 1.151 63.319 62.100 0.114 0.000 1.146 112 T CB -0.191 68.747 68.868 0.116 0.000 0.865 112 T HN 0.062 nan 8.240 nan 0.000 0.435 113 L N 1.234 122.575 121.223 0.196 0.000 2.089 113 L HA -0.062 4.278 4.340 0.000 0.000 0.213 113 L C 2.716 179.751 176.870 0.275 0.000 1.079 113 L CA 1.858 56.871 54.840 0.289 0.000 0.758 113 L CB -1.370 40.849 42.059 0.267 0.000 0.891 113 L HN 0.384 nan 8.230 nan 0.000 0.433 114 G N -2.071 106.839 108.800 0.183 0.000 2.402 114 G HA2 -0.242 3.718 3.960 0.000 0.000 0.216 114 G HA3 -0.242 3.718 3.960 0.000 0.000 0.216 114 G C 1.534 176.489 174.900 0.090 0.000 1.162 114 G CA 0.490 45.674 45.100 0.141 0.000 0.777 114 G HN 0.438 nan 8.290 nan 0.000 0.539 115 Q N -0.362 119.477 119.800 0.065 0.000 2.083 115 Q HA -0.017 4.323 4.340 0.000 0.000 0.198 115 Q C 2.627 178.600 176.000 -0.044 0.000 0.969 115 Q CA 0.700 56.505 55.803 0.004 0.000 0.838 115 Q CB -0.127 28.616 28.738 0.008 0.000 0.900 115 Q HN 0.364 nan 8.270 nan 0.000 0.436 116 I N 0.494 121.081 120.570 0.028 0.000 2.151 116 I HA -0.294 3.876 4.170 0.000 0.000 0.243 116 I C 2.436 178.453 176.117 -0.166 0.000 1.080 116 I CA 1.518 62.831 61.300 0.021 0.000 1.339 116 I CB -1.699 36.306 38.000 0.008 0.000 1.039 116 I HN 0.170 nan 8.210 nan 0.000 0.409 117 S N 0.158 115.771 115.700 -0.144 0.000 2.355 117 S HA -0.160 4.310 4.470 0.000 0.000 0.222 117 S C 2.095 176.667 174.600 -0.046 0.000 1.031 117 S CA 2.168 60.310 58.200 -0.097 0.000 0.993 117 S CB -0.340 62.980 63.200 0.200 0.000 0.859 117 S HN 0.502 nan 8.310 nan 0.000 0.453 118 T N 1.152 115.680 114.554 -0.043 0.000 2.867 118 T HA -0.009 4.341 4.350 0.000 0.000 0.268 118 T C 1.780 176.400 174.700 -0.132 0.000 1.057 118 T CA 1.359 63.426 62.100 -0.054 0.000 1.136 118 T CB -0.220 68.624 68.868 -0.040 0.000 0.874 118 T HN 0.531 nan 8.240 nan 0.000 0.466 119 E N -0.629 119.416 120.200 -0.258 0.000 2.216 119 E HA 0.089 4.439 4.350 0.000 0.000 0.192 119 E C 0.966 177.254 176.600 -0.520 0.000 0.973 119 E CA 0.435 56.556 56.400 -0.466 0.000 0.851 119 E CB 0.195 29.442 29.700 -0.755 0.000 0.804 119 E HN 0.559 nan 8.360 nan 0.000 0.477 120 F N -1.135 118.761 119.950 -0.090 0.000 2.724 120 F HA 0.361 4.888 4.527 0.000 0.000 0.306 120 F C 1.348 177.124 175.800 -0.040 0.000 1.100 120 F CA 0.055 58.009 58.000 -0.077 0.000 1.255 120 F CB 1.089 40.008 39.000 -0.134 0.000 1.072 120 F HN -0.022 nan 8.300 nan 0.000 0.589 121 A N 0.154 123.026 122.820 0.087 0.000 2.589 121 A HA 0.355 4.675 4.320 0.000 0.000 0.283 121 A C 0.897 178.599 177.584 0.197 0.000 1.187 121 A CA -0.376 51.749 52.037 0.147 0.000 0.957 121 A CB -0.271 18.765 19.000 0.061 0.000 1.175 121 A HN 0.286 nan 8.150 nan 0.000 0.532 122 R N -0.351 120.203 120.500 0.091 0.000 3.627 122 R HA -0.252 4.088 4.340 0.000 0.000 0.281 122 R C 0.031 176.376 176.300 0.074 0.000 1.140 122 R CA 0.778 56.891 56.100 0.022 0.000 0.761 122 R CB -2.156 28.078 30.300 -0.111 0.000 1.181 122 R HN 0.490 nan 8.270 nan 0.000 0.472 123 D N -1.568 118.881 120.400 0.081 0.000 3.077 123 D HA -0.134 4.506 4.640 0.000 0.000 0.212 123 D C -0.103 176.295 176.300 0.163 0.000 1.125 123 D CA 1.997 56.054 54.000 0.096 0.000 0.970 123 D CB -0.592 40.244 40.800 0.060 0.000 1.110 123 D HN 0.653 nan 8.370 nan 0.000 0.419 124 T N -1.402 113.292 114.554 0.234 0.000 2.851 124 T HA 0.646 4.996 4.350 0.000 0.000 0.298 124 T C 0.136 175.011 174.700 0.293 0.000 0.977 124 T CA 0.111 62.378 62.100 0.278 0.000 1.126 124 T CB 1.956 71.032 68.868 0.348 0.000 0.916 124 T HN 0.724 nan 8.240 nan 0.000 0.529 125 A N 3.116 126.065 122.820 0.214 0.000 2.485 125 A HA 0.567 4.887 4.320 0.000 0.000 0.285 125 A C -1.327 176.285 177.584 0.047 0.000 1.045 125 A CA -0.940 51.180 52.037 0.139 0.000 0.792 125 A CB 1.239 20.336 19.000 0.161 0.000 1.307 125 A HN 0.782 nan 8.150 nan 0.000 0.406 126 D N 2.255 122.644 120.400 -0.018 0.000 2.629 126 D HA 0.424 5.064 4.640 0.000 0.000 0.250 126 D C -0.470 175.738 176.300 -0.153 0.000 1.126 126 D CA -0.035 53.943 54.000 -0.036 0.000 0.852 126 D CB 1.974 42.801 40.800 0.045 0.000 1.335 126 D HN 0.497 nan 8.370 nan 0.000 0.518 127 I N 2.018 122.472 120.570 -0.194 0.000 2.396 127 I HA 0.016 4.186 4.170 0.000 0.000 0.289 127 I C 1.304 177.311 176.117 -0.184 0.000 1.056 127 I CA -0.106 61.000 61.300 -0.323 0.000 1.365 127 I CB 0.644 38.429 38.000 -0.357 0.000 1.407 127 I HN 0.253 nan 8.210 nan 0.000 0.509 128 S N 3.298 118.884 115.700 -0.189 0.000 2.624 128 S HA 0.083 4.553 4.470 0.000 0.000 0.263 128 S C 0.625 175.170 174.600 -0.092 0.000 1.287 128 S CA -0.653 57.477 58.200 -0.116 0.000 0.990 128 S CB 1.069 64.201 63.200 -0.112 0.000 0.950 128 S HN 0.713 nan 8.310 nan 0.000 0.561 129 D N -0.658 119.691 120.400 -0.085 0.000 2.323 129 D HA 0.033 4.673 4.640 0.000 0.000 0.239 129 D C 0.752 176.978 176.300 -0.124 0.000 1.129 129 D CA 0.049 53.983 54.000 -0.111 0.000 0.865 129 D CB -0.289 40.428 40.800 -0.138 0.000 0.913 129 D HN 0.582 nan 8.370 nan 0.000 0.517 130 R N -0.060 120.387 120.500 -0.088 0.000 2.662 130 R HA 0.204 4.544 4.340 0.000 0.000 0.396 130 R C -0.045 176.240 176.300 -0.026 0.000 1.096 130 R CA -0.186 55.874 56.100 -0.068 0.000 1.081 130 R CB 0.195 30.455 30.300 -0.068 0.000 1.382 130 R HN 0.045 nan 8.270 nan 0.000 0.580 131 Q N -0.848 118.950 119.800 -0.002 0.000 2.429 131 Q HA -0.177 4.163 4.340 0.000 0.000 0.232 131 Q C -0.514 175.545 176.000 0.097 0.000 0.724 131 Q CA 0.794 56.653 55.803 0.094 0.000 1.287 131 Q CB -1.014 27.789 28.738 0.109 0.000 1.429 131 Q HN 0.313 nan 8.270 nan 0.000 0.721 132 N N 0.372 119.047 118.700 -0.041 0.000 2.458 132 N HA 0.544 5.284 4.740 0.000 0.000 0.271 132 N C -0.050 175.279 175.510 -0.302 0.000 1.210 132 N CA -0.023 52.971 53.050 -0.093 0.000 0.978 132 N CB 1.295 39.734 38.487 -0.081 0.000 1.206 132 N HN 0.127 nan 8.380 nan 0.000 0.536 133 V N -1.798 117.925 119.914 -0.318 0.000 2.630 133 V HA 0.584 4.705 4.120 0.000 0.000 0.305 133 V C -0.453 175.408 176.094 -0.389 0.000 1.046 133 V CA -0.713 61.336 62.300 -0.418 0.000 0.934 133 V CB 1.556 33.105 31.823 -0.456 0.000 1.003 133 V HN 0.472 nan 8.190 nan 0.000 0.451 134 Q N 2.058 121.639 119.800 -0.366 0.000 2.356 134 Q HA 0.566 4.906 4.340 0.000 0.000 0.270 134 Q C -1.868 173.929 176.000 -0.338 0.000 1.058 134 Q CA -0.576 55.016 55.803 -0.351 0.000 0.802 134 Q CB 2.747 31.349 28.738 -0.227 0.000 1.303 134 Q HN 0.838 nan 8.270 nan 0.000 0.444 135 Y N 0.286 120.487 120.300 -0.165 0.000 2.419 135 Y HA 0.429 4.979 4.550 0.000 0.000 0.328 135 Y C 0.041 175.707 175.900 -0.390 0.000 1.162 135 Y CA -0.409 57.614 58.100 -0.128 0.000 1.174 135 Y CB 1.170 39.614 38.460 -0.027 0.000 1.228 135 Y HN 0.618 nan 8.280 nan 0.000 0.473 136 H N -2.055 117.017 119.070 0.003 0.000 2.906 136 H HA 0.328 4.884 4.556 0.000 0.000 0.337 136 H C -1.277 174.013 175.328 -0.064 0.000 1.257 136 H CA -1.313 54.530 56.048 -0.343 0.000 1.192 136 H CB 0.990 30.002 29.762 -1.251 0.000 1.912 136 H HN 0.713 nan 8.280 nan 0.000 0.573 137 W N 0.042 121.334 121.300 -0.013 0.000 4.435 137 W HA -0.176 4.485 4.660 0.000 0.000 0.351 137 W C -0.880 175.799 176.519 0.267 0.000 1.319 137 W CA -0.170 57.180 57.345 0.008 0.000 0.791 137 W CB -1.291 28.113 29.460 -0.095 0.000 2.419 137 W HN 0.189 nan 8.180 nan 0.000 1.406 138 I N 1.291 122.129 120.570 0.447 0.000 2.428 138 I HA 0.152 4.322 4.170 0.000 0.000 0.289 138 I C 0.920 177.330 176.117 0.489 0.000 1.019 138 I CA -0.300 61.230 61.300 0.384 0.000 1.351 138 I CB 0.785 38.931 38.000 0.244 0.000 1.412 138 I HN 0.033 nan 8.210 nan 0.000 0.513 139 E N 4.758 125.158 120.200 0.334 0.000 2.171 139 E HA 0.182 4.532 4.350 0.000 0.000 0.271 139 E C 0.665 177.356 176.600 0.151 0.000 0.916 139 E CA -0.562 56.005 56.400 0.278 0.000 0.774 139 E CB 2.894 32.703 29.700 0.181 0.000 1.128 139 E HN 0.372 nan 8.360 nan 0.000 0.403 140 V N 3.323 123.363 119.914 0.210 0.000 2.453 140 V HA -0.331 3.789 4.120 0.000 0.000 0.252 140 V C 1.557 177.613 176.094 -0.064 0.000 1.068 140 V CA 2.259 64.552 62.300 -0.012 0.000 1.070 140 V CB -0.312 31.567 31.823 0.095 0.000 0.664 140 V HN 0.672 nan 8.190 nan 0.000 0.461 141 E N 0.874 121.080 120.200 0.011 0.000 2.200 141 E HA -0.252 4.098 4.350 0.000 0.000 0.211 141 E C 1.800 178.331 176.600 -0.115 0.000 1.048 141 E CA 2.192 58.580 56.400 -0.020 0.000 0.851 141 E CB -0.384 29.332 29.700 0.025 0.000 0.747 141 E HN 0.698 nan 8.360 nan 0.000 0.462 142 N N -0.733 117.852 118.700 -0.191 0.000 2.280 142 N HA 0.014 4.754 4.740 0.000 0.000 0.192 142 N C 1.376 176.559 175.510 -0.545 0.000 1.109 142 N CA 0.203 53.016 53.050 -0.394 0.000 0.855 142 N CB 0.564 38.736 38.487 -0.525 0.000 0.974 142 N HN 0.028 nan 8.380 nan 0.000 0.482 143 V N 2.167 121.767 119.914 -0.522 0.000 2.427 143 V HA -0.113 4.007 4.120 0.000 0.000 0.248 143 V C -0.657 174.894 176.094 -0.906 0.000 1.051 143 V CA 1.674 63.486 62.300 -0.813 0.000 1.048 143 V CB -1.193 30.045 31.823 -0.974 0.000 0.666 143 V HN 0.173 nan 8.190 nan 0.000 0.456 144 P HA -0.121 nan 4.420 nan 0.000 0.217 144 P C 1.712 178.950 177.300 -0.103 0.000 1.150 144 P CA 1.063 64.076 63.100 -0.144 0.000 0.832 144 P CB 0.028 31.699 31.700 -0.049 0.000 0.787 145 E N -0.046 120.027 120.200 -0.212 0.000 2.058 145 E HA -0.172 4.178 4.350 0.000 0.000 0.194 145 E C 1.979 178.476 176.600 -0.172 0.000 0.997 145 E CA 1.246 57.540 56.400 -0.176 0.000 0.801 145 E CB -0.757 28.781 29.700 -0.271 0.000 0.746 145 E HN 0.229 nan 8.360 nan 0.000 0.450 146 I N -0.450 119.907 120.570 -0.354 0.000 2.179 146 I HA -0.271 3.899 4.170 0.000 0.000 0.242 146 I C 2.357 178.474 176.117 -0.001 0.000 1.088 146 I CA 0.858 62.020 61.300 -0.230 0.000 1.357 146 I CB -0.421 37.357 38.000 -0.371 0.000 1.051 146 I HN 0.185 nan 8.210 nan 0.000 0.409 147 W N 1.206 122.454 121.300 -0.087 0.000 2.342 147 W HA -0.156 4.504 4.660 0.000 0.000 0.297 147 W C 2.801 179.303 176.519 -0.027 0.000 1.213 147 W CA 1.012 58.325 57.345 -0.053 0.000 1.251 147 W CB -0.810 28.577 29.460 -0.121 0.000 1.136 147 W HN 0.156 nan 8.180 nan 0.000 0.526 148 R N 0.827 121.444 120.500 0.194 0.000 2.073 148 R HA -0.100 4.240 4.340 0.000 0.000 0.229 148 R C 2.173 178.534 176.300 0.102 0.000 1.120 148 R CA 1.095 57.264 56.100 0.115 0.000 0.967 148 R CB -0.291 30.054 30.300 0.075 0.000 0.862 148 R HN 0.180 nan 8.270 nan 0.000 0.436 149 R N 0.151 120.714 120.500 0.105 0.000 2.090 149 R HA -0.013 4.327 4.340 0.000 0.000 0.228 149 R C 2.452 178.825 176.300 0.122 0.000 1.110 149 R CA 0.872 57.037 56.100 0.109 0.000 0.973 149 R CB -0.268 30.109 30.300 0.128 0.000 0.869 149 R HN 0.235 nan 8.270 nan 0.000 0.440 150 L N 0.574 121.887 121.223 0.151 0.000 2.056 150 L HA -0.173 4.167 4.340 0.000 0.000 0.207 150 L C 2.035 178.986 176.870 0.135 0.000 1.078 150 L CA 1.457 56.396 54.840 0.166 0.000 0.749 150 L CB -0.476 41.718 42.059 0.224 0.000 0.901 150 L HN 0.147 nan 8.230 nan 0.000 0.433 151 D N -0.096 120.382 120.400 0.129 0.000 2.218 151 D HA -0.228 4.412 4.640 0.000 0.000 0.204 151 D C 1.806 178.145 176.300 0.065 0.000 0.976 151 D CA 0.882 54.934 54.000 0.086 0.000 0.853 151 D CB 0.049 40.888 40.800 0.066 0.000 0.939 151 D HN 0.152 nan 8.370 nan 0.000 0.481 152 D N -0.534 119.907 120.400 0.069 0.000 2.378 152 D HA -0.075 4.565 4.640 0.000 0.000 0.227 152 D C 1.020 177.350 176.300 0.051 0.000 1.012 152 D CA 0.563 54.595 54.000 0.054 0.000 0.905 152 D CB 0.548 41.382 40.800 0.056 0.000 0.895 152 D HN 0.258 nan 8.370 nan 0.000 0.532 153 V N -4.595 115.355 119.914 0.060 0.000 3.078 153 V HA 0.500 4.620 4.120 0.000 0.000 0.344 153 V C 0.945 177.067 176.094 0.047 0.000 1.409 153 V CA 0.170 62.501 62.300 0.052 0.000 1.146 153 V CB 0.412 32.272 31.823 0.061 0.000 1.126 153 V HN 0.057 nan 8.190 nan 0.000 0.513 154 G N 0.998 109.825 108.800 0.046 0.000 2.143 154 G HA2 -0.214 3.746 3.960 0.000 0.000 0.249 154 G HA3 -0.214 3.746 3.960 0.000 0.000 0.249 154 G C -0.197 174.730 174.900 0.047 0.000 0.981 154 G CA 0.521 45.642 45.100 0.035 0.000 0.665 154 G HN 0.615 nan 8.290 nan 0.000 0.528 155 L N -0.056 121.212 121.223 0.075 0.000 2.334 155 L HA 0.814 5.154 4.340 0.000 0.000 0.270 155 L C 0.508 177.454 176.870 0.126 0.000 1.018 155 L CA -0.986 53.911 54.840 0.096 0.000 0.811 155 L CB 1.822 43.952 42.059 0.119 0.000 1.271 155 L HN 0.530 nan 8.230 nan 0.000 0.443 156 Q N -0.912 118.971 119.800 0.138 0.000 2.626 156 Q HA 0.441 4.781 4.340 0.000 0.000 0.300 156 Q C -0.634 175.499 176.000 0.222 0.000 0.988 156 Q CA -0.737 55.176 55.803 0.184 0.000 0.761 156 Q CB 1.937 30.750 28.738 0.124 0.000 1.494 156 Q HN 0.574 nan 8.270 nan 0.000 0.439 157 T N -3.009 111.744 114.554 0.332 0.000 3.228 157 T HA 0.212 4.562 4.350 0.000 0.000 0.278 157 T C -0.169 174.644 174.700 0.188 0.000 1.014 157 T CA -0.200 62.093 62.100 0.321 0.000 0.904 157 T CB -0.136 69.031 68.868 0.499 0.000 1.110 157 T HN 0.526 nan 8.240 nan 0.000 0.541 158 T N 3.442 118.004 114.554 0.013 0.000 2.853 158 T HA 0.193 4.543 4.350 0.000 0.000 0.298 158 T C 0.385 174.943 174.700 -0.235 0.000 0.978 158 T CA 0.008 61.893 62.100 -0.359 0.000 1.152 158 T CB 0.083 68.746 68.868 -0.341 0.000 0.914 158 T HN 0.572 nan 8.240 nan 0.000 0.539 159 E N 0.030 120.042 120.200 -0.314 0.000 2.722 159 E HA -0.310 4.040 4.350 0.000 0.000 0.265 159 E C 1.191 177.710 176.600 -0.136 0.000 1.081 159 E CA 0.384 56.648 56.400 -0.227 0.000 0.781 159 E CB -1.409 28.214 29.700 -0.128 0.000 1.372 159 E HN 0.802 nan 8.360 nan 0.000 0.423 160 A N -0.836 121.938 122.820 -0.077 0.000 1.970 160 A HA 0.038 4.358 4.320 0.000 0.000 0.216 160 A C 1.237 178.835 177.584 0.023 0.000 1.170 160 A CA 1.018 53.054 52.037 -0.001 0.000 0.645 160 A CB 0.420 19.455 19.000 0.058 0.000 0.816 160 A HN 0.407 nan 8.150 nan 0.000 0.447 161 C N -3.177 116.119 119.300 -0.005 0.000 2.710 161 C HA 0.814 5.274 4.460 0.000 0.000 0.367 161 C C 0.843 175.626 174.990 -0.345 0.000 1.315 161 C CA 0.164 59.184 59.018 0.003 0.000 1.764 161 C CB 0.920 28.715 27.740 0.091 0.000 2.182 161 C HN 1.365 nan 8.230 nan 0.000 0.491 162 G N 0.896 109.432 108.800 -0.439 0.000 2.566 162 G HA2 -0.025 3.935 3.960 0.000 0.000 0.599 162 G HA3 -0.025 3.935 3.960 0.000 0.000 0.599 162 G C -1.420 172.999 174.900 -0.802 0.000 1.292 162 G CA -0.595 43.866 45.100 -1.065 0.000 0.922 162 G HN 0.645 nan 8.290 nan 0.000 0.514 163 D N 1.335 121.169 120.400 -0.944 0.000 2.619 163 D HA 0.482 5.122 4.640 0.000 0.000 0.224 163 D C 0.816 177.077 176.300 -0.065 0.000 1.133 163 D CA 1.027 54.911 54.000 -0.194 0.000 1.017 163 D CB -0.793 40.090 40.800 0.139 0.000 1.077 163 D HN 1.120 nan 8.370 nan 0.000 0.503 164 C N -1.188 118.045 119.300 -0.112 0.000 3.249 164 C HA 0.521 4.981 4.460 0.000 0.000 0.350 164 C C -3.028 172.015 174.990 0.089 0.000 1.431 164 C CA -1.960 57.061 59.018 0.005 0.000 1.209 164 C CB 1.127 28.824 27.740 -0.071 0.000 1.546 164 C HN 0.050 nan 8.230 nan 0.000 0.450 165 P HA 0.328 nan 4.420 nan 0.000 0.276 165 P C -0.258 177.127 177.300 0.142 0.000 1.253 165 P CA 0.321 63.610 63.100 0.315 0.000 0.766 165 P CB 0.385 32.383 31.700 0.498 0.000 0.845 166 R N 1.828 122.384 120.500 0.094 0.000 2.574 166 R HA 0.271 4.611 4.340 0.000 0.000 0.266 166 R C 0.092 176.402 176.300 0.017 0.000 1.157 166 R CA -0.880 55.233 56.100 0.023 0.000 1.187 166 R CB -0.167 30.131 30.300 -0.003 0.000 1.179 166 R HN 0.284 nan 8.270 nan 0.000 0.600 167 V N -0.123 119.787 119.914 -0.006 0.000 2.832 167 V HA -0.057 4.063 4.120 0.000 0.000 0.299 167 V C 0.667 176.744 176.094 -0.028 0.000 1.201 167 V CA -0.134 62.156 62.300 -0.017 0.000 1.325 167 V CB -0.414 31.399 31.823 -0.016 0.000 0.871 167 V HN 0.276 nan 8.190 nan 0.000 0.509 168 V N 6.340 126.226 119.914 -0.048 0.000 2.461 168 V HA 0.298 4.418 4.120 0.000 0.000 0.275 168 V C 0.448 176.516 176.094 -0.044 0.000 1.047 168 V CA -0.413 61.851 62.300 -0.061 0.000 0.955 168 V CB 0.990 32.735 31.823 -0.130 0.000 0.988 168 V HN 0.708 nan 8.190 nan 0.000 0.471 169 L N 4.436 125.641 121.223 -0.030 0.000 2.436 169 L HA 0.709 5.049 4.340 0.000 0.000 0.265 169 L C 0.801 177.666 176.870 -0.008 0.000 1.168 169 L CA 0.161 54.990 54.840 -0.017 0.000 0.815 169 L CB 0.688 42.735 42.059 -0.020 0.000 1.109 169 L HN 0.771 nan 8.230 nan 0.000 0.462 170 G N 0.104 108.904 108.800 0.001 0.000 2.690 170 G HA2 0.335 4.295 3.960 0.000 0.000 0.293 170 G HA3 0.335 4.295 3.960 0.000 0.000 0.293 170 G C -1.188 173.722 174.900 0.017 0.000 1.399 170 G CA -0.467 44.636 45.100 0.004 0.000 0.890 170 G HN 0.452 nan 8.290 nan 0.000 0.485 171 S N 0.837 116.551 115.700 0.023 0.000 2.544 171 S HA 0.194 4.664 4.470 0.000 0.000 0.290 171 S C -0.823 173.741 174.600 -0.060 0.000 1.276 171 S CA -0.656 57.556 58.200 0.020 0.000 1.075 171 S CB 0.850 64.068 63.200 0.031 0.000 0.849 171 S HN 0.300 nan 8.310 nan 0.000 0.494 172 P HA -0.003 nan 4.420 nan 0.000 0.229 172 P C 0.221 177.363 177.300 -0.264 0.000 1.150 172 P CA 0.803 63.787 63.100 -0.192 0.000 0.765 172 P CB 0.067 31.643 31.700 -0.205 0.000 0.783 173 L N -1.654 119.391 121.223 -0.295 0.000 3.202 173 L HA 0.351 4.691 4.340 0.000 0.000 0.278 173 L C 0.575 177.400 176.870 -0.074 0.000 1.268 173 L CA -0.561 54.171 54.840 -0.180 0.000 1.034 173 L CB -0.173 41.775 42.059 -0.184 0.000 1.407 173 L HN -0.221 nan 8.230 nan 0.000 0.581 174 A N -0.110 122.676 122.820 -0.057 0.000 2.548 174 A HA 0.426 4.746 4.320 0.000 0.000 0.247 174 A C 1.551 179.128 177.584 -0.012 0.000 1.067 174 A CA 0.863 52.889 52.037 -0.017 0.000 0.757 174 A CB -0.375 18.617 19.000 -0.013 0.000 0.996 174 A HN 0.769 nan 8.150 nan 0.000 0.504 175 G N 1.642 110.445 108.800 0.004 0.000 2.199 175 G HA2 -0.198 3.762 3.960 0.000 0.000 0.254 175 G HA3 -0.198 3.762 3.960 0.000 0.000 0.254 175 G C 0.364 175.266 174.900 0.003 0.000 0.982 175 G CA 0.629 45.733 45.100 0.006 0.000 0.632 175 G HN 0.753 nan 8.290 nan 0.000 0.529 176 E N -0.487 119.713 120.200 -0.001 0.000 2.633 176 E HA 0.170 4.520 4.350 0.000 0.000 0.222 176 E C 0.863 177.470 176.600 0.012 0.000 0.899 176 E CA 0.545 56.946 56.400 0.001 0.000 1.292 176 E CB 0.429 30.123 29.700 -0.010 0.000 1.257 176 E HN 0.441 nan 8.360 nan 0.000 0.626 177 S N 1.195 116.907 115.700 0.021 0.000 2.560 177 S HA 0.107 4.577 4.470 0.000 0.000 0.284 177 S C 1.415 176.040 174.600 0.042 0.000 1.327 177 S CA -0.254 57.973 58.200 0.046 0.000 1.055 177 S CB 0.395 63.640 63.200 0.074 0.000 0.868 177 S HN 0.169 nan 8.310 nan 0.000 0.506 178 L N 2.820 124.069 121.223 0.043 0.000 2.376 178 L HA 0.025 4.365 4.340 0.000 0.000 0.219 178 L C 0.916 177.810 176.870 0.040 0.000 1.133 178 L CA 0.776 55.638 54.840 0.036 0.000 0.816 178 L CB -0.262 41.816 42.059 0.032 0.000 0.933 178 L HN 0.625 nan 8.230 nan 0.000 0.449 179 D N -0.787 119.643 120.400 0.050 0.000 2.433 179 D HA 0.015 4.655 4.640 0.000 0.000 0.211 179 D C 0.504 176.837 176.300 0.055 0.000 1.114 179 D CA 0.003 54.032 54.000 0.049 0.000 0.837 179 D CB 0.216 41.045 40.800 0.047 0.000 0.984 179 D HN 0.472 nan 8.370 nan 0.000 0.505 180 E N 0.922 121.157 120.200 0.059 0.000 2.360 180 E HA 0.100 4.450 4.350 0.000 0.000 0.269 180 E C 1.002 177.638 176.600 0.059 0.000 1.022 180 E CA -0.371 56.066 56.400 0.061 0.000 0.887 180 E CB 1.879 31.613 29.700 0.057 0.000 0.990 180 E HN -0.256 nan 8.360 nan 0.000 0.426 181 V N 3.552 123.506 119.914 0.068 0.000 2.332 181 V HA -0.176 3.944 4.120 0.000 0.000 0.248 181 V C 1.197 177.337 176.094 0.077 0.000 1.055 181 V CA 2.251 64.598 62.300 0.079 0.000 1.038 181 V CB -1.318 30.565 31.823 0.101 0.000 0.651 181 V HN 0.758 nan 8.190 nan 0.000 0.450 182 L N -3.499 117.765 121.223 0.068 0.000 2.933 182 L HA 0.695 5.035 4.340 0.000 0.000 0.271 182 L C -1.676 175.221 176.870 0.045 0.000 1.071 182 L CA -0.970 53.903 54.840 0.055 0.000 0.938 182 L CB 1.949 44.043 42.059 0.058 0.000 1.534 182 L HN -0.123 nan 8.230 nan 0.000 0.396 183 D N 1.319 121.742 120.400 0.037 0.000 2.473 183 D HA 0.445 5.085 4.640 0.000 0.000 0.226 183 D C -1.966 174.365 176.300 0.052 0.000 1.089 183 D CA -1.989 52.034 54.000 0.038 0.000 0.883 183 D CB 1.415 42.234 40.800 0.032 0.000 1.029 183 D HN 0.472 nan 8.370 nan 0.000 0.517 184 P HA 0.070 nan 4.420 nan 0.000 0.257 184 P C 0.990 178.338 177.300 0.080 0.000 1.325 184 P CA -0.033 63.108 63.100 0.069 0.000 0.850 184 P CB 0.408 32.131 31.700 0.039 0.000 1.324 185 T N -0.653 113.941 114.554 0.066 0.000 2.653 185 T HA -0.218 4.133 4.350 0.000 0.000 0.268 185 T C 1.234 175.965 174.700 0.052 0.000 1.035 185 T CA 1.720 63.841 62.100 0.034 0.000 1.154 185 T CB -0.990 67.895 68.868 0.028 0.000 0.862 185 T HN 0.251 nan 8.240 nan 0.000 0.441 186 W N 1.938 123.196 121.300 -0.070 0.000 2.290 186 W HA -0.276 4.385 4.660 0.001 0.000 0.311 186 W C 2.524 178.981 176.519 -0.103 0.000 1.238 186 W CA 1.733 59.033 57.345 -0.076 0.000 1.255 186 W CB -0.558 28.863 29.460 -0.065 0.000 1.145 186 W HN 0.275 nan 8.180 nan 0.000 0.506 187 A N 0.102 122.971 122.820 0.083 0.000 1.898 187 A HA -0.173 4.147 4.320 0.000 0.000 0.216 187 A C 2.003 179.369 177.584 -0.364 0.000 1.181 187 A CA 1.963 53.885 52.037 -0.191 0.000 0.620 187 A CB -1.003 17.977 19.000 -0.033 0.000 0.819 187 A HN 0.414 nan 8.150 nan 0.000 0.442 188 I N -0.547 119.872 120.570 -0.252 0.000 2.226 188 I HA -0.260 3.910 4.170 0.000 0.000 0.245 188 I C 2.498 178.433 176.117 -0.303 0.000 1.100 188 I CA 1.627 62.767 61.300 -0.266 0.000 1.374 188 I CB -0.478 37.423 38.000 -0.164 0.000 1.057 188 I HN 0.429 nan 8.210 nan 0.000 0.413 189 E N 0.451 120.468 120.200 -0.305 0.000 2.077 189 E HA -0.208 4.142 4.350 0.000 0.000 0.193 189 E C 2.149 178.508 176.600 -0.402 0.000 0.989 189 E CA 0.877 57.094 56.400 -0.305 0.000 0.800 189 E CB 0.038 29.584 29.700 -0.255 0.000 0.746 189 E HN 0.359 nan 8.360 nan 0.000 0.452 190 E N 0.639 120.476 120.200 -0.605 0.000 2.077 190 E HA -0.169 4.181 4.350 0.000 0.000 0.193 190 E C 2.157 178.478 176.600 -0.464 0.000 0.989 190 E CA 0.743 56.774 56.400 -0.616 0.000 0.800 190 E CB -0.187 28.966 29.700 -0.912 0.000 0.746 190 E HN 0.340 nan 8.360 nan 0.000 0.452 191 I N 0.513 120.826 120.570 -0.427 0.000 2.163 191 I HA -0.279 3.891 4.170 0.000 0.000 0.243 191 I C 2.417 178.358 176.117 -0.294 0.000 1.085 191 I CA 0.836 61.917 61.300 -0.364 0.000 1.347 191 I CB -0.277 37.306 38.000 -0.695 0.000 1.044 191 I HN -0.052 nan 8.210 nan 0.000 0.408 192 V N 0.732 120.475 119.914 -0.285 0.000 2.287 192 V HA -0.314 3.806 4.120 0.000 0.000 0.248 192 V C 2.612 178.606 176.094 -0.167 0.000 1.053 192 V CA 2.183 64.371 62.300 -0.186 0.000 1.027 192 V CB -0.813 30.914 31.823 -0.160 0.000 0.646 192 V HN 0.435 nan 8.190 nan 0.000 0.447 193 R N -0.273 120.094 120.500 -0.221 0.000 2.075 193 R HA -0.119 4.221 4.340 0.000 0.000 0.232 193 R C 2.583 178.743 176.300 -0.235 0.000 1.126 193 R CA 1.284 57.264 56.100 -0.200 0.000 0.963 193 R CB -0.107 30.064 30.300 -0.215 0.000 0.858 193 R HN 0.394 nan 8.270 nan 0.000 0.435 194 R N -0.717 119.541 120.500 -0.404 0.000 2.057 194 R HA -0.107 4.233 4.340 0.000 0.000 0.229 194 R C 1.873 177.909 176.300 -0.441 0.000 1.136 194 R CA 1.503 57.238 56.100 -0.609 0.000 0.952 194 R CB -0.398 29.138 30.300 -1.273 0.000 0.848 194 R HN 0.355 nan 8.270 nan 0.000 0.430 195 Y N 0.111 120.465 120.300 0.089 0.000 2.559 195 Y HA 0.245 4.795 4.550 0.000 0.000 0.279 195 Y C 1.009 177.030 175.900 0.201 0.000 1.117 195 Y CA -0.826 57.425 58.100 0.253 0.000 1.263 195 Y CB 0.114 38.854 38.460 0.467 0.000 1.230 195 Y HN -0.193 nan 8.280 nan 0.000 0.528 196 I N 1.216 121.910 120.570 0.206 0.000 2.533 196 I HA 0.206 4.376 4.170 0.000 0.000 0.284 196 I C 1.404 177.560 176.117 0.064 0.000 1.109 196 I CA 0.778 62.153 61.300 0.126 0.000 1.412 196 I CB -0.041 37.975 38.000 0.027 0.000 1.396 196 I HN 0.599 nan 8.210 nan 0.000 0.543 197 G N 5.823 114.653 108.800 0.050 0.000 2.176 197 G HA2 -0.197 3.763 3.960 0.000 0.000 0.232 197 G HA3 -0.197 3.763 3.960 0.000 0.000 0.232 197 G C 0.364 175.290 174.900 0.042 0.000 0.986 197 G CA -0.381 44.714 45.100 -0.010 0.000 0.643 197 G HN 0.516 nan 8.290 nan 0.000 0.522 198 K N 0.302 120.763 120.400 0.101 0.000 2.208 198 K HA 0.451 4.771 4.320 0.000 0.000 0.247 198 K C -1.527 175.130 176.600 0.094 0.000 0.953 198 K CA -1.481 54.862 56.287 0.094 0.000 0.837 198 K CB 2.529 35.098 32.500 0.116 0.000 1.131 198 K HN -0.089 nan 8.250 nan 0.000 0.431 199 P HA -0.171 nan 4.420 nan 0.000 0.218 199 P C 0.134 177.436 177.300 0.003 0.000 1.148 199 P CA 1.458 64.578 63.100 0.034 0.000 0.822 199 P CB 0.240 31.945 31.700 0.009 0.000 0.784 200 D N -0.854 119.494 120.400 -0.087 0.000 2.149 200 D HA -0.139 4.501 4.640 0.000 0.000 0.198 200 D C 0.820 176.843 176.300 -0.462 0.000 0.990 200 D CA 1.178 54.972 54.000 -0.343 0.000 0.839 200 D CB -0.504 39.928 40.800 -0.614 0.000 0.948 200 D HN 0.252 nan 8.370 nan 0.000 0.460 201 F N -0.836 119.176 119.950 0.103 0.000 2.698 201 F HA 0.489 5.016 4.527 0.000 0.000 0.304 201 F C 1.553 177.417 175.800 0.105 0.000 1.108 201 F CA -0.619 57.413 58.000 0.054 0.000 1.263 201 F CB -0.004 39.028 39.000 0.053 0.000 1.013 201 F HN -0.127 nan 8.300 nan 0.000 0.532 202 A N -1.082 121.895 122.820 0.262 0.000 2.167 202 A HA -0.021 4.300 4.320 0.000 0.000 0.214 202 A C 0.463 178.292 177.584 0.407 0.000 1.151 202 A CA 1.016 53.253 52.037 0.332 0.000 0.735 202 A CB -0.193 18.944 19.000 0.228 0.000 0.802 202 A HN 0.162 nan 8.150 nan 0.000 0.467 203 D N 0.050 120.603 120.400 0.255 0.000 2.389 203 D HA 0.521 5.161 4.640 0.000 0.000 0.256 203 D C -0.904 175.369 176.300 -0.045 0.000 1.239 203 D CA -0.126 54.001 54.000 0.212 0.000 0.925 203 D CB 0.299 41.263 40.800 0.274 0.000 1.145 203 D HN 0.174 nan 8.370 nan 0.000 0.542 204 L N 3.445 124.617 121.223 -0.085 0.000 2.303 204 L HA 0.524 4.864 4.340 0.000 0.000 0.266 204 L C -1.405 175.217 176.870 -0.414 0.000 1.011 204 L CA -2.398 52.210 54.840 -0.386 0.000 0.818 204 L CB 1.788 43.676 42.059 -0.285 0.000 1.326 204 L HN 0.066 nan 8.230 nan 0.000 0.435 205 P HA -0.079 nan 4.420 nan 0.000 0.217 205 P C 0.048 177.275 177.300 -0.123 0.000 1.148 205 P CA 1.452 64.271 63.100 -0.468 0.000 0.828 205 P CB 0.281 31.562 31.700 -0.698 0.000 0.783 206 R N -2.745 117.756 120.500 0.003 0.000 3.034 206 R HA 0.226 4.567 4.340 0.000 0.000 0.264 206 R C -0.674 175.750 176.300 0.207 0.000 1.030 206 R CA -0.925 55.269 56.100 0.157 0.000 0.903 206 R CB 0.944 31.377 30.300 0.221 0.000 1.414 206 R HN -0.185 nan 8.270 nan 0.000 0.429 207 K N 0.340 120.824 120.400 0.141 0.000 2.380 207 K HA 0.073 4.393 4.320 0.000 0.000 0.267 207 K C -1.088 175.640 176.600 0.213 0.000 0.990 207 K CA 0.179 56.536 56.287 0.116 0.000 0.946 207 K CB 0.372 32.897 32.500 0.043 0.000 0.937 207 K HN 0.437 nan 8.250 nan 0.000 0.491 208 Y N 0.700 121.006 120.300 0.010 0.000 2.332 208 Y HA 0.315 4.865 4.550 0.000 0.000 0.325 208 Y C -1.519 174.365 175.900 -0.027 0.000 1.054 208 Y CA -0.917 57.160 58.100 -0.038 0.000 1.119 208 Y CB 1.666 40.144 38.460 0.029 0.000 1.168 208 Y HN 0.581 nan 8.280 nan 0.000 0.439 209 K N 4.398 124.572 120.400 -0.378 0.000 2.244 209 K HA 0.664 4.984 4.320 0.000 0.000 0.260 209 K C -1.004 175.385 176.600 -0.351 0.000 0.951 209 K CA -0.849 55.273 56.287 -0.274 0.000 0.826 209 K CB 1.991 34.380 32.500 -0.186 0.000 1.108 209 K HN 0.568 nan 8.250 nan 0.000 0.433 210 T N 1.093 115.544 114.554 -0.171 0.000 2.861 210 T HA 0.588 4.938 4.350 0.000 0.000 0.287 210 T C -1.240 173.449 174.700 -0.019 0.000 1.003 210 T CA -0.727 61.339 62.100 -0.055 0.000 0.977 210 T CB 1.666 70.612 68.868 0.131 0.000 0.996 210 T HN 0.647 nan 8.240 nan 0.000 0.448 211 A N 3.402 126.232 122.820 0.017 0.000 2.359 211 A HA 0.865 5.185 4.320 0.000 0.000 0.303 211 A C -0.989 176.648 177.584 0.088 0.000 1.066 211 A CA -0.672 51.380 52.037 0.024 0.000 0.730 211 A CB 0.671 19.669 19.000 -0.003 0.000 1.211 211 A HN 0.836 nan 8.150 nan 0.000 0.439 212 I N 1.644 122.258 120.570 0.073 0.000 2.512 212 I HA 0.587 4.757 4.170 0.000 0.000 0.287 212 I C -0.229 175.920 176.117 0.053 0.000 1.069 212 I CA -0.294 61.069 61.300 0.104 0.000 1.056 212 I CB 2.117 40.163 38.000 0.077 0.000 1.229 212 I HN 0.562 nan 8.210 nan 0.000 0.429 213 S N 2.797 118.528 115.700 0.051 0.000 2.537 213 S HA 0.521 4.991 4.470 0.000 0.000 0.271 213 S C 0.415 175.040 174.600 0.041 0.000 1.148 213 S CA -0.236 57.988 58.200 0.040 0.000 0.868 213 S CB 1.716 64.942 63.200 0.043 0.000 1.115 213 S HN 0.826 nan 8.310 nan 0.000 0.461 214 G N 2.118 110.948 108.800 0.049 0.000 3.026 214 G HA2 0.319 4.280 3.960 0.000 0.000 0.208 214 G HA3 0.319 4.280 3.960 0.000 0.000 0.208 214 G C -0.033 174.902 174.900 0.060 0.000 1.169 214 G CA 0.326 45.460 45.100 0.056 0.000 0.788 214 G HN 0.523 nan 8.290 nan 0.000 0.533 215 L N -1.252 120.008 121.223 0.062 0.000 2.327 215 L HA 0.363 4.703 4.340 0.000 0.000 0.258 215 L C -0.302 176.600 176.870 0.054 0.000 1.024 215 L CA -0.944 53.938 54.840 0.071 0.000 0.825 215 L CB 2.354 44.485 42.059 0.120 0.000 1.386 215 L HN -0.085 nan 8.230 nan 0.000 0.417 216 Q N 1.247 121.080 119.800 0.055 0.000 3.181 216 Q HA 0.065 4.405 4.340 0.000 0.000 0.293 216 Q C -0.726 175.346 176.000 0.121 0.000 1.406 216 Q CA -0.156 55.700 55.803 0.090 0.000 1.026 216 Q CB -0.113 28.690 28.738 0.109 0.000 1.630 216 Q HN 0.434 nan 8.270 nan 0.000 0.553 217 D N -0.850 119.640 120.400 0.150 0.000 2.538 217 D HA -0.002 4.638 4.640 0.000 0.000 0.231 217 D C 0.533 176.980 176.300 0.246 0.000 1.229 217 D CA -0.194 53.933 54.000 0.212 0.000 0.828 217 D CB 0.263 41.248 40.800 0.307 0.000 1.035 217 D HN 0.193 nan 8.370 nan 0.000 0.495 218 V N -3.656 116.358 119.914 0.166 0.000 2.925 218 V HA 0.738 4.858 4.120 0.000 0.000 0.361 218 V C 0.833 176.935 176.094 0.013 0.000 1.361 218 V CA -0.468 61.880 62.300 0.080 0.000 1.184 218 V CB -0.219 31.635 31.823 0.053 0.000 1.245 218 V HN 0.233 nan 8.190 nan 0.000 0.575 219 A N 1.582 124.410 122.820 0.014 0.000 2.511 219 A HA -0.273 4.047 4.320 0.000 0.000 0.297 219 A C 1.233 178.714 177.584 -0.172 0.000 1.476 219 A CA 1.917 53.895 52.037 -0.098 0.000 0.757 219 A CB -2.518 16.392 19.000 -0.150 0.000 1.072 219 A HN 1.673 nan 8.150 nan 0.000 0.413 220 H N -2.049 116.896 119.070 -0.207 0.000 2.428 220 H HA 0.121 4.677 4.556 0.000 0.000 0.296 220 H C 1.348 176.486 175.328 -0.317 0.000 1.062 220 H CA 1.225 57.099 56.048 -0.290 0.000 1.350 220 H CB -0.213 29.294 29.762 -0.425 0.000 1.403 220 H HN 0.599 nan 8.280 nan 0.000 0.533 221 E N 1.047 120.791 120.200 -0.760 0.000 2.331 221 E HA -0.095 4.255 4.350 0.000 0.000 0.199 221 E C 1.362 177.861 176.600 -0.169 0.000 1.008 221 E CA 1.509 57.641 56.400 -0.447 0.000 0.843 221 E CB -0.150 29.288 29.700 -0.435 0.000 0.761 221 E HN 0.937 nan 8.360 nan 0.000 0.507 222 I N -2.961 117.511 120.570 -0.163 0.000 3.927 222 I HA 0.260 4.431 4.170 0.000 0.000 0.332 222 I C -0.029 176.010 176.117 -0.129 0.000 1.485 222 I CA -0.497 60.740 61.300 -0.105 0.000 1.131 222 I CB 0.293 38.246 38.000 -0.078 0.000 1.092 222 I HN -0.195 nan 8.210 nan 0.000 0.410 223 N N 1.933 120.550 118.700 -0.139 0.000 2.489 223 N HA 0.150 4.890 4.740 0.000 0.000 0.284 223 N C -0.016 175.366 175.510 -0.214 0.000 1.158 223 N CA -0.440 52.509 53.050 -0.169 0.000 0.965 223 N CB 1.347 39.745 38.487 -0.148 0.000 1.195 223 N HN 0.199 nan 8.380 nan 0.000 0.506 224 D N 0.027 120.239 120.400 -0.312 0.000 2.178 224 D HA -0.073 4.567 4.640 0.000 0.000 0.201 224 D C 0.289 176.368 176.300 -0.368 0.000 0.980 224 D CA 1.404 55.162 54.000 -0.404 0.000 0.842 224 D CB 0.547 40.991 40.800 -0.593 0.000 0.948 224 D HN 0.071 nan 8.370 nan 0.000 0.472 225 V N -0.540 119.170 119.914 -0.340 0.000 2.851 225 V HA 0.602 4.722 4.120 0.000 0.000 0.307 225 V C -1.822 174.183 176.094 -0.149 0.000 1.129 225 V CA -0.605 61.555 62.300 -0.234 0.000 0.932 225 V CB 2.042 33.736 31.823 -0.215 0.000 1.024 225 V HN 0.070 nan 8.190 nan 0.000 0.426 226 A N 5.556 128.271 122.820 -0.175 0.000 2.422 226 A HA 0.912 5.232 4.320 0.000 0.000 0.302 226 A C -1.637 175.772 177.584 -0.292 0.000 1.041 226 A CA -0.391 51.573 52.037 -0.122 0.000 0.708 226 A CB 1.499 20.451 19.000 -0.080 0.000 1.257 226 A HN 0.790 nan 8.150 nan 0.000 0.414 227 F N 2.286 122.267 119.950 0.053 0.000 2.382 227 F HA 0.545 5.072 4.527 0.000 0.000 0.361 227 F C -0.339 175.447 175.800 -0.023 0.000 1.109 227 F CA -0.495 57.535 58.000 0.050 0.000 1.031 227 F CB 1.549 40.576 39.000 0.045 0.000 1.234 227 F HN 0.280 nan 8.300 nan 0.000 0.445 228 I N 2.381 123.003 120.570 0.086 0.000 2.378 228 I HA 0.424 4.595 4.170 0.000 0.000 0.291 228 I C 0.728 176.886 176.117 0.069 0.000 0.992 228 I CA -0.955 60.319 61.300 -0.044 0.000 1.154 228 I CB 1.395 39.168 38.000 -0.379 0.000 1.315 228 I HN 0.588 nan 8.210 nan 0.000 0.448 229 G N 4.860 113.698 108.800 0.064 0.000 2.368 229 G HA2 0.379 4.339 3.960 0.000 0.000 0.233 229 G HA3 0.379 4.339 3.960 0.000 0.000 0.233 229 G C -0.670 174.318 174.900 0.146 0.000 1.267 229 G CA 0.133 45.297 45.100 0.105 0.000 0.873 229 G HN 0.596 nan 8.290 nan 0.000 0.539 230 V N 2.848 122.891 119.914 0.214 0.000 3.036 230 V HA 0.281 4.401 4.120 0.000 0.000 0.288 230 V C -1.000 175.285 176.094 0.318 0.000 1.407 230 V CA -1.231 61.214 62.300 0.243 0.000 0.983 230 V CB 2.174 34.159 31.823 0.270 0.000 1.128 230 V HN 0.826 nan 8.190 nan 0.000 0.439 231 N N 3.137 121.964 118.700 0.212 0.000 2.401 231 N HA 0.214 4.954 4.740 0.000 0.000 0.255 231 N C -0.614 174.964 175.510 0.113 0.000 1.110 231 N CA 0.021 53.179 53.050 0.179 0.000 0.949 231 N CB 0.522 39.065 38.487 0.094 0.000 1.110 231 N HN 0.830 nan 8.380 nan 0.000 0.490 232 H N 4.583 123.614 119.070 -0.064 0.000 2.767 232 H HA 0.112 4.668 4.556 -0.000 0.000 0.316 232 H C -1.162 174.014 175.328 -0.253 0.000 1.059 232 H CA -1.135 54.718 56.048 -0.326 0.000 1.461 232 H CB 1.155 30.300 29.762 -1.027 0.000 1.475 232 H HN 0.437 nan 8.280 nan 0.000 0.531 233 P HA -0.242 nan 4.420 nan 0.000 0.216 233 P C 1.071 178.289 177.300 -0.136 0.000 1.153 233 P CA 1.507 64.499 63.100 -0.181 0.000 0.858 233 P CB 0.358 31.927 31.700 -0.219 0.000 0.789 234 E N -1.142 118.989 120.200 -0.115 0.000 2.051 234 E HA -0.161 4.190 4.350 0.000 0.000 0.189 234 E C 1.780 178.153 176.600 -0.378 0.000 0.979 234 E CA 0.759 56.995 56.400 -0.273 0.000 0.803 234 E CB -0.144 29.260 29.700 -0.493 0.000 0.761 234 E HN 0.312 nan 8.360 nan 0.000 0.451 235 H N -0.504 118.424 119.070 -0.237 0.000 2.575 235 H HA 0.263 4.819 4.556 0.000 0.000 0.267 235 H C 1.055 176.231 175.328 -0.252 0.000 0.966 235 H CA 0.629 56.390 56.048 -0.479 0.000 1.165 235 H CB 0.934 29.933 29.762 -1.271 0.000 1.433 235 H HN 0.333 nan 8.280 nan 0.000 0.544 236 G N 1.570 110.342 108.800 -0.046 0.000 2.632 236 G HA2 -0.225 3.736 3.960 0.000 0.000 0.224 236 G HA3 -0.225 3.736 3.960 0.000 0.000 0.224 236 G C -2.621 172.452 174.900 0.288 0.000 1.341 236 G CA -0.969 44.192 45.100 0.101 0.000 0.880 236 G HN 0.094 nan 8.290 nan 0.000 0.566 237 P HA 0.480 nan 4.420 nan 0.000 0.265 237 P C 0.680 178.283 177.300 0.506 0.000 1.193 237 P CA 1.327 64.629 63.100 0.337 0.000 0.765 237 P CB 1.030 32.844 31.700 0.190 0.000 0.823 238 G N 1.568 110.668 108.800 0.501 0.000 2.500 238 G HA2 0.548 4.508 3.960 0.000 0.000 0.299 238 G HA3 0.548 4.508 3.960 0.000 0.000 0.299 238 G C -2.152 172.733 174.900 -0.025 0.000 1.242 238 G CA -0.684 44.458 45.100 0.071 0.000 0.859 238 G HN 0.355 nan 8.290 nan 0.000 0.481 239 L N 0.984 122.026 121.223 -0.301 0.000 2.356 239 L HA 0.464 4.804 4.340 0.000 0.000 0.277 239 L C -0.969 175.941 176.870 0.066 0.000 0.996 239 L CA -0.637 54.202 54.840 -0.002 0.000 0.822 239 L CB 2.038 44.170 42.059 0.120 0.000 1.256 239 L HN 0.541 nan 8.230 nan 0.000 0.413 240 D N 2.338 122.854 120.400 0.194 0.000 2.304 240 D HA 0.327 4.967 4.640 0.000 0.000 0.250 240 D C -0.939 175.492 176.300 0.219 0.000 1.107 240 D CA -0.207 53.929 54.000 0.228 0.000 0.885 240 D CB 1.295 42.267 40.800 0.286 0.000 1.192 240 D HN 0.249 nan 8.370 nan 0.000 0.436 241 L N 5.379 126.658 121.223 0.093 0.000 2.264 241 L HA 0.520 4.860 4.340 0.000 0.000 0.289 241 L C -1.611 175.245 176.870 -0.024 0.000 1.044 241 L CA -0.458 54.346 54.840 -0.061 0.000 0.807 241 L CB 0.423 42.431 42.059 -0.086 0.000 1.192 241 L HN 0.392 nan 8.230 nan 0.000 0.425 242 W N 4.500 125.664 121.300 -0.227 0.000 2.706 242 W HA 0.794 5.454 4.660 0.000 0.000 0.346 242 W C -0.818 175.583 176.519 -0.197 0.000 1.071 242 W CA -0.656 56.608 57.345 -0.136 0.000 1.206 242 W CB 1.879 31.314 29.460 -0.043 0.000 1.413 242 W HN 0.275 nan 8.180 nan 0.000 0.542 243 V N 0.825 120.759 119.914 0.033 0.000 3.087 243 V HA 0.727 4.847 4.120 0.000 0.000 0.306 243 V C 0.249 176.233 176.094 -0.183 0.000 1.187 243 V CA -0.422 61.789 62.300 -0.148 0.000 0.999 243 V CB 1.957 33.619 31.823 -0.267 0.000 1.049 243 V HN 0.888 nan 8.190 nan 0.000 0.431 244 G N 2.438 111.073 108.800 -0.274 0.000 2.141 244 G HA2 -0.005 3.955 3.960 0.000 0.000 0.195 244 G HA3 -0.005 3.955 3.960 0.000 0.000 0.195 244 G C 0.255 175.022 174.900 -0.222 0.000 1.012 244 G CA 0.038 44.962 45.100 -0.295 0.000 0.696 244 G HN 1.462 nan 8.290 nan 0.000 0.508 245 G N -1.064 107.618 108.800 -0.198 0.000 2.461 245 G HA2 1.026 4.986 3.960 0.000 0.000 0.329 245 G HA3 1.026 4.986 3.960 0.000 0.000 0.329 245 G C 0.243 175.029 174.900 -0.190 0.000 1.170 245 G CA -0.164 44.847 45.100 -0.148 0.000 0.935 245 G HN 1.752 nan 8.290 nan 0.000 0.492 246 G N -1.263 107.449 108.800 -0.148 0.000 2.376 246 G HA2 0.477 4.437 3.960 0.000 0.000 0.302 246 G HA3 0.477 4.437 3.960 0.000 0.000 0.302 246 G C -1.563 173.251 174.900 -0.143 0.000 1.586 246 G CA -0.917 44.086 45.100 -0.162 0.000 0.907 246 G HN 0.875 nan 8.290 nan 0.000 0.655 247 L N 1.700 122.845 121.223 -0.131 0.000 2.415 247 L HA 0.736 5.076 4.340 0.000 0.000 0.268 247 L C 0.480 177.280 176.870 -0.117 0.000 0.984 247 L CA -0.511 54.239 54.840 -0.151 0.000 0.853 247 L CB 1.514 43.501 42.059 -0.120 0.000 1.215 247 L HN 0.649 nan 8.230 nan 0.000 0.419 248 S N 0.117 115.753 115.700 -0.107 0.000 4.413 248 S HA 0.241 4.711 4.470 0.000 0.000 0.213 248 S C 1.496 176.072 174.600 -0.039 0.000 1.104 248 S CA 0.602 58.773 58.200 -0.049 0.000 1.790 248 S CB 0.573 63.771 63.200 -0.005 0.000 0.973 248 S HN 0.723 nan 8.310 nan 0.000 0.757 249 T N 0.407 114.968 114.554 0.011 0.000 2.881 249 T HA 0.042 4.393 4.350 0.000 0.000 0.270 249 T C 0.628 175.331 174.700 0.006 0.000 1.068 249 T CA 1.227 63.343 62.100 0.026 0.000 1.131 249 T CB -0.370 68.532 68.868 0.057 0.000 0.871 249 T HN 0.304 nan 8.240 nan 0.000 0.479 250 N N 2.584 121.286 118.700 0.004 0.000 2.841 250 N HA 0.344 5.084 4.740 0.000 0.000 0.257 250 N C -3.091 172.337 175.510 -0.137 0.000 1.396 250 N CA -1.941 51.104 53.050 -0.008 0.000 0.823 250 N CB 1.508 40.094 38.487 0.165 0.000 1.162 250 N HN 0.269 nan 8.380 nan 0.000 0.503 251 P HA 0.252 nan 4.420 nan 0.000 0.275 251 P C -0.710 176.403 177.300 -0.312 0.000 1.228 251 P CA -0.121 62.692 63.100 -0.479 0.000 0.786 251 P CB 1.132 32.192 31.700 -1.067 0.000 0.927 252 M N 2.145 121.714 119.600 -0.052 0.000 2.284 252 M HA 0.294 4.774 4.480 0.000 0.000 0.281 252 M C -0.506 175.920 176.300 0.210 0.000 1.083 252 M CA -0.573 54.822 55.300 0.158 0.000 0.965 252 M CB 2.230 34.802 32.600 -0.046 0.000 1.717 252 M HN 0.109 nan 8.290 nan 0.000 0.479 253 L N 2.689 124.055 121.223 0.237 0.000 2.410 253 L HA 0.475 4.815 4.340 0.000 0.000 0.273 253 L C 0.834 177.743 176.870 0.065 0.000 1.152 253 L CA -0.414 54.481 54.840 0.092 0.000 0.855 253 L CB 0.937 42.992 42.059 -0.008 0.000 1.129 253 L HN 0.876 nan 8.230 nan 0.000 0.463 254 A N 4.702 127.565 122.820 0.072 0.000 2.520 254 A HA 0.245 4.565 4.320 0.000 0.000 0.235 254 A C -0.113 177.627 177.584 0.261 0.000 1.065 254 A CA 0.099 52.206 52.037 0.117 0.000 0.764 254 A CB 0.210 19.295 19.000 0.141 0.000 1.002 254 A HN 0.788 nan 8.150 nan 0.000 0.502 255 Q N 0.837 120.698 119.800 0.102 0.000 2.375 255 Q HA 0.427 4.767 4.340 0.000 0.000 0.271 255 Q C -0.892 174.923 176.000 -0.308 0.000 1.074 255 Q CA -0.850 54.901 55.803 -0.087 0.000 0.808 255 Q CB 2.149 30.833 28.738 -0.090 0.000 1.327 255 Q HN 0.728 nan 8.270 nan 0.000 0.441 256 R N 0.903 120.981 120.500 -0.702 0.000 2.484 256 R HA 0.013 4.353 4.340 0.000 0.000 0.293 256 R C 0.690 176.796 176.300 -0.323 0.000 1.023 256 R CA -0.051 55.585 56.100 -0.775 0.000 1.037 256 R CB 0.434 30.231 30.300 -0.838 0.000 0.951 256 R HN 0.479 nan 8.270 nan 0.000 0.418 257 V N 2.155 121.946 119.914 -0.205 0.000 2.809 257 V HA -0.065 4.055 4.120 0.000 0.000 0.256 257 V C 1.503 177.576 176.094 -0.035 0.000 1.080 257 V CA 1.790 64.064 62.300 -0.043 0.000 1.102 257 V CB -0.455 31.392 31.823 0.040 0.000 0.705 257 V HN 1.207 nan 8.190 nan 0.000 0.475 258 G N -0.216 108.536 108.800 -0.079 0.000 2.142 258 G HA2 -0.009 3.951 3.960 0.000 0.000 0.225 258 G HA3 -0.009 3.951 3.960 0.000 0.000 0.225 258 G C -0.011 174.926 174.900 0.061 0.000 1.015 258 G CA 0.178 45.265 45.100 -0.021 0.000 0.716 258 G HN 1.140 nan 8.290 nan 0.000 0.508 259 A N -0.911 121.957 122.820 0.081 0.000 2.365 259 A HA 0.763 5.083 4.320 0.000 0.000 0.318 259 A C -0.778 176.957 177.584 0.251 0.000 1.091 259 A CA -0.485 51.648 52.037 0.160 0.000 0.763 259 A CB 1.422 20.492 19.000 0.117 0.000 1.248 259 A HN 1.329 nan 8.150 nan 0.000 0.442 260 W N 2.605 123.978 121.300 0.123 0.000 2.529 260 W HA 0.618 5.279 4.660 0.001 0.000 0.321 260 W C -1.576 175.001 176.519 0.097 0.000 1.047 260 W CA -0.408 57.025 57.345 0.146 0.000 1.216 260 W CB 1.676 31.262 29.460 0.210 0.000 1.357 260 W HN 0.507 nan 8.180 nan 0.000 0.489 261 V N 8.340 127.844 119.914 -0.684 0.000 2.525 261 V HA 0.415 4.535 4.120 0.000 0.000 0.299 261 V C -1.873 173.542 176.094 -1.131 0.000 1.034 261 V CA -2.145 59.785 62.300 -0.618 0.000 0.863 261 V CB 1.632 33.386 31.823 -0.115 0.000 0.999 261 V HN 0.456 nan 8.190 nan 0.000 0.423 262 P HA 0.104 nan 4.420 nan 0.000 0.272 262 P C 0.860 177.948 177.300 -0.353 0.000 1.223 262 P CA -0.255 62.419 63.100 -0.711 0.000 0.784 262 P CB 1.359 32.885 31.700 -0.290 0.000 0.923 263 L N 3.637 124.719 121.223 -0.235 0.000 2.051 263 L HA -0.154 4.186 4.340 0.000 0.000 0.214 263 L C 2.419 179.241 176.870 -0.081 0.000 1.076 263 L CA 2.806 57.562 54.840 -0.138 0.000 0.758 263 L CB -1.623 40.362 42.059 -0.123 0.000 0.890 263 L HN 0.575 nan 8.230 nan 0.000 0.433 264 G N -1.610 107.082 108.800 -0.181 0.000 2.448 264 G HA2 -0.210 3.751 3.960 0.000 0.000 0.219 264 G HA3 -0.210 3.751 3.960 0.000 0.000 0.219 264 G C 1.344 176.302 174.900 0.096 0.000 1.127 264 G CA 0.699 45.716 45.100 -0.138 0.000 0.766 264 G HN 0.579 nan 8.290 nan 0.000 0.552 265 E N -0.187 120.019 120.200 0.011 0.000 2.479 265 E HA 0.153 4.503 4.350 0.000 0.000 0.193 265 E C 2.176 178.788 176.600 0.021 0.000 1.049 265 E CA -0.385 56.037 56.400 0.035 0.000 0.870 265 E CB 0.568 30.264 29.700 -0.007 0.000 0.944 265 E HN 0.274 nan 8.360 nan 0.000 0.492 266 V N 1.647 121.537 119.914 -0.040 0.000 2.270 266 V HA -0.174 3.947 4.120 0.000 0.000 0.245 266 V C -0.825 175.170 176.094 -0.165 0.000 1.043 266 V CA 1.838 63.968 62.300 -0.283 0.000 1.014 266 V CB -1.102 30.447 31.823 -0.457 0.000 0.645 266 V HN 0.199 nan 8.190 nan 0.000 0.447 267 P HA -0.186 nan 4.420 nan 0.000 0.216 267 P C 1.645 179.141 177.300 0.326 0.000 1.150 267 P CA 1.520 64.698 63.100 0.129 0.000 0.837 267 P CB 0.071 31.801 31.700 0.051 0.000 0.786 268 E N -0.435 119.910 120.200 0.241 0.000 2.031 268 E HA -0.136 4.215 4.350 0.000 0.000 0.193 268 E C 1.783 178.514 176.600 0.218 0.000 0.994 268 E CA 1.229 57.775 56.400 0.244 0.000 0.800 268 E CB -0.275 29.532 29.700 0.179 0.000 0.752 268 E HN -0.037 nan 8.360 nan 0.000 0.447 269 V N 0.078 120.116 119.914 0.206 0.000 2.453 269 V HA -0.197 3.923 4.120 0.000 0.000 0.247 269 V C 1.846 178.138 176.094 0.330 0.000 1.048 269 V CA 1.685 64.133 62.300 0.247 0.000 1.049 269 V CB -0.628 31.375 31.823 0.300 0.000 0.672 269 V HN 0.506 nan 8.190 nan 0.000 0.457 270 W N 1.288 122.706 121.300 0.198 0.000 2.338 270 W HA -0.223 4.437 4.660 -0.000 0.000 0.304 270 W C 2.411 178.899 176.519 -0.052 0.000 1.212 270 W CA 2.129 59.592 57.345 0.197 0.000 1.264 270 W CB -0.236 29.284 29.460 0.100 0.000 1.142 270 W HN 0.189 nan 8.180 nan 0.000 0.512 271 A N 0.536 123.395 122.820 0.064 0.000 1.902 271 A HA -0.060 4.260 4.320 0.000 0.000 0.217 271 A C 2.067 179.525 177.584 -0.210 0.000 1.181 271 A CA 2.411 54.275 52.037 -0.289 0.000 0.623 271 A CB -1.474 17.451 19.000 -0.124 0.000 0.818 271 A HN 0.412 nan 8.150 nan 0.000 0.443 272 A N -0.671 122.111 122.820 -0.063 0.000 1.929 272 A HA 0.087 4.407 4.320 0.000 0.000 0.216 272 A C 2.202 179.637 177.584 -0.250 0.000 1.176 272 A CA 1.573 53.563 52.037 -0.079 0.000 0.628 272 A CB -0.766 18.265 19.000 0.052 0.000 0.816 272 A HN 0.350 nan 8.150 nan 0.000 0.444 273 V N -0.083 119.716 119.914 -0.192 0.000 2.307 273 V HA -0.220 3.900 4.120 0.000 0.000 0.245 273 V C 2.720 178.641 176.094 -0.289 0.000 1.045 273 V CA 2.465 64.686 62.300 -0.131 0.000 1.024 273 V CB -1.353 30.467 31.823 -0.005 0.000 0.651 273 V HN 0.595 nan 8.190 nan 0.000 0.449 274 T N -0.526 113.644 114.554 -0.640 0.000 2.833 274 T HA -0.180 4.170 4.350 0.000 0.000 0.269 274 T C 2.117 176.528 174.700 -0.481 0.000 1.054 274 T CA 1.729 63.248 62.100 -0.968 0.000 1.135 274 T CB -0.254 67.482 68.868 -1.886 0.000 0.869 274 T HN 0.441 nan 8.240 nan 0.000 0.466 275 S N 0.641 116.163 115.700 -0.297 0.000 2.383 275 S HA -0.055 4.415 4.470 0.000 0.000 0.227 275 S C 2.317 176.688 174.600 -0.382 0.000 1.026 275 S CA 0.627 58.728 58.200 -0.165 0.000 0.981 275 S CB -0.382 62.699 63.200 -0.199 0.000 0.818 275 S HN 0.299 nan 8.310 nan 0.000 0.472 276 V N 1.475 121.072 119.914 -0.528 0.000 2.295 276 V HA -0.163 3.958 4.120 0.000 0.000 0.246 276 V C 1.947 178.066 176.094 0.043 0.000 1.049 276 V CA 1.761 63.926 62.300 -0.225 0.000 1.024 276 V CB -0.752 31.008 31.823 -0.106 0.000 0.648 276 V HN 0.471 nan 8.190 nan 0.000 0.447 277 F N 1.486 121.306 119.950 -0.216 0.000 2.069 277 F HA -0.218 4.309 4.527 0.000 0.000 0.298 277 F C 2.640 178.280 175.800 -0.267 0.000 1.113 277 F CA 2.247 60.088 58.000 -0.265 0.000 1.214 277 F CB -0.685 38.082 39.000 -0.389 0.000 0.978 277 F HN 0.005 nan 8.300 nan 0.000 0.474 278 R N 0.117 120.397 120.500 -0.366 0.000 2.094 278 R HA -0.203 4.137 4.340 0.000 0.000 0.239 278 R C 1.801 177.839 176.300 -0.438 0.000 1.137 278 R CA 2.383 58.182 56.100 -0.502 0.000 0.943 278 R CB -0.571 29.598 30.300 -0.217 0.000 0.850 278 R HN 0.254 nan 8.270 nan 0.000 0.433 279 D N -1.434 118.911 120.400 -0.090 0.000 2.271 279 D HA -0.061 4.579 4.640 0.000 0.000 0.206 279 D C 0.869 177.119 176.300 -0.083 0.000 0.967 279 D CA 1.061 55.086 54.000 0.042 0.000 0.867 279 D CB 0.167 41.130 40.800 0.271 0.000 0.960 279 D HN 0.358 nan 8.370 nan 0.000 0.509 280 Y N 0.088 120.382 120.300 -0.011 0.000 2.453 280 Y HA 0.341 4.891 4.550 0.000 0.000 0.247 280 Y C 1.487 177.252 175.900 -0.224 0.000 1.124 280 Y CA -0.423 57.683 58.100 0.009 0.000 1.243 280 Y CB 0.544 39.095 38.460 0.151 0.000 1.213 280 Y HN -0.210 nan 8.280 nan 0.000 0.523 281 G N -0.094 108.589 108.800 -0.195 0.000 2.491 281 G HA2 0.119 4.079 3.960 0.000 0.000 0.242 281 G HA3 0.119 4.079 3.960 0.000 0.000 0.242 281 G C -0.924 173.815 174.900 -0.268 0.000 1.266 281 G CA -0.232 44.677 45.100 -0.319 0.000 0.844 281 G HN 0.062 nan 8.290 nan 0.000 0.571 282 Y N 0.086 120.382 120.300 -0.006 0.000 2.411 282 Y HA 0.308 4.858 4.550 0.000 0.000 0.333 282 Y C 1.503 177.375 175.900 -0.047 0.000 1.186 282 Y CA -0.422 57.675 58.100 -0.004 0.000 1.381 282 Y CB 0.939 39.410 38.460 0.019 0.000 1.273 282 Y HN 0.469 nan 8.280 nan 0.000 0.546 283 R N 1.893 122.472 120.500 0.132 0.000 2.698 283 R HA 0.257 4.597 4.340 0.000 0.000 0.422 283 R C 1.033 177.378 176.300 0.075 0.000 1.073 283 R CA -0.181 55.951 56.100 0.055 0.000 1.054 283 R CB 0.750 31.052 30.300 0.005 0.000 1.373 283 R HN 0.645 nan 8.270 nan 0.000 0.593 284 R N 0.237 120.777 120.500 0.067 0.000 2.086 284 R HA 0.311 4.651 4.340 0.000 0.000 0.194 284 R C -0.060 176.246 176.300 0.009 0.000 1.312 284 R CA -0.023 56.094 56.100 0.027 0.000 1.145 284 R CB 0.448 30.742 30.300 -0.010 0.000 1.050 284 R HN 0.035 nan 8.270 nan 0.000 0.479 285 L N 2.483 123.694 121.223 -0.019 0.000 2.319 285 L HA 0.209 4.550 4.340 0.000 0.000 0.280 285 L C 1.203 178.075 176.870 0.004 0.000 1.099 285 L CA -0.255 54.568 54.840 -0.029 0.000 0.828 285 L CB 1.357 43.364 42.059 -0.087 0.000 1.150 285 L HN 0.265 nan 8.230 nan 0.000 0.442 286 R N 3.086 123.600 120.500 0.022 0.000 2.120 286 R HA -0.081 4.259 4.340 0.000 0.000 0.234 286 R C 1.568 177.907 176.300 0.064 0.000 1.123 286 R CA 1.601 57.733 56.100 0.053 0.000 0.975 286 R CB -0.081 30.253 30.300 0.058 0.000 0.866 286 R HN 0.781 nan 8.270 nan 0.000 0.446 287 A N -0.797 122.041 122.820 0.030 0.000 2.337 287 A HA 0.124 4.444 4.320 0.000 0.000 0.227 287 A C 0.899 178.451 177.584 -0.052 0.000 1.259 287 A CA 0.097 52.161 52.037 0.045 0.000 0.870 287 A CB -0.022 18.996 19.000 0.030 0.000 0.927 287 A HN 0.147 nan 8.150 nan 0.000 0.497 288 K N -0.338 119.981 120.400 -0.134 0.000 2.972 288 K HA 0.475 4.795 4.320 0.000 0.000 0.209 288 K C 0.586 177.194 176.600 0.014 0.000 1.128 288 K CA 0.521 56.533 56.287 -0.459 0.000 1.024 288 K CB 0.323 32.529 32.500 -0.490 0.000 0.754 288 K HN 0.274 nan 8.250 nan 0.000 0.454 289 A N 0.383 123.348 122.820 0.241 0.000 2.229 289 A HA 0.217 4.537 4.320 0.000 0.000 0.211 289 A C 0.666 178.497 177.584 0.412 0.000 1.193 289 A CA -0.058 52.150 52.037 0.284 0.000 0.879 289 A CB 0.256 19.360 19.000 0.174 0.000 0.911 289 A HN 0.170 nan 8.150 nan 0.000 0.492 290 R N -0.610 120.189 120.500 0.499 0.000 2.560 290 R HA 0.260 4.600 4.340 0.000 0.000 0.270 290 R C 0.991 177.339 176.300 0.081 0.000 1.074 290 R CA -0.570 55.699 56.100 0.282 0.000 1.140 290 R CB 0.566 30.909 30.300 0.071 0.000 1.073 290 R HN 0.232 nan 8.270 nan 0.000 0.527 291 L N 3.415 124.418 121.223 -0.368 0.000 2.079 291 L HA -0.235 4.106 4.340 0.000 0.000 0.210 291 L C 2.156 178.787 176.870 -0.399 0.000 1.081 291 L CA 1.925 56.439 54.840 -0.542 0.000 0.752 291 L CB -0.602 40.898 42.059 -0.932 0.000 0.896 291 L HN 0.658 nan 8.230 nan 0.000 0.433 292 K N -1.682 118.454 120.400 -0.440 0.000 2.173 292 K HA -0.258 4.062 4.320 0.000 0.000 0.207 292 K C 1.891 178.265 176.600 -0.377 0.000 1.046 292 K CA 2.151 58.168 56.287 -0.450 0.000 0.929 292 K CB -0.911 31.269 32.500 -0.533 0.000 0.720 292 K HN 0.280 nan 8.250 nan 0.000 0.453 293 F N 1.268 121.175 119.950 -0.072 0.000 2.098 293 F HA -0.027 4.501 4.527 0.000 0.000 0.294 293 F C 2.297 178.091 175.800 -0.011 0.000 1.107 293 F CA 0.459 58.476 58.000 0.028 0.000 1.234 293 F CB -0.924 38.174 39.000 0.163 0.000 1.002 293 F HN -0.066 nan 8.300 nan 0.000 0.472 294 L N 0.344 121.532 121.223 -0.058 0.000 2.043 294 L HA -0.228 4.112 4.340 0.000 0.000 0.212 294 L C 2.097 178.739 176.870 -0.381 0.000 1.075 294 L CA 1.707 56.269 54.840 -0.462 0.000 0.752 294 L CB -0.739 40.857 42.059 -0.772 0.000 0.891 294 L HN 0.057 nan 8.230 nan 0.000 0.432 295 I N -0.615 119.772 120.570 -0.306 0.000 2.394 295 I HA -0.240 3.930 4.170 0.000 0.000 0.251 295 I C 2.455 178.544 176.117 -0.046 0.000 1.136 295 I CA 1.093 62.253 61.300 -0.233 0.000 1.425 295 I CB -1.226 36.566 38.000 -0.346 0.000 1.079 295 I HN 0.423 nan 8.210 nan 0.000 0.425 296 K N 0.970 121.367 120.400 -0.006 0.000 2.026 296 K HA -0.211 4.109 4.320 0.000 0.000 0.208 296 K C 1.635 178.324 176.600 0.148 0.000 1.048 296 K CA 1.780 58.114 56.287 0.077 0.000 0.929 296 K CB 0.074 32.649 32.500 0.126 0.000 0.713 296 K HN 0.239 nan 8.250 nan 0.000 0.439 297 D N -0.347 120.176 120.400 0.206 0.000 2.084 297 D HA -0.159 4.481 4.640 0.000 0.000 0.196 297 D C 1.854 178.395 176.300 0.401 0.000 0.985 297 D CA 0.954 55.133 54.000 0.298 0.000 0.826 297 D CB -0.437 40.596 40.800 0.389 0.000 0.978 297 D HN 0.294 nan 8.370 nan 0.000 0.456 298 W N 1.227 122.598 121.300 0.118 0.000 2.358 298 W HA 0.181 4.841 4.660 0.000 0.000 0.303 298 W C 1.349 177.913 176.519 0.076 0.000 1.208 298 W CA 1.526 58.931 57.345 0.100 0.000 1.274 298 W CB -0.874 28.651 29.460 0.108 0.000 1.138 298 W HN 0.115 nan 8.180 nan 0.000 0.515 299 G N -0.567 108.418 108.800 0.309 0.000 2.716 299 G HA2 -0.226 3.734 3.960 0.000 0.000 0.686 299 G HA3 -0.226 3.734 3.960 0.000 0.000 0.686 299 G C 0.308 175.334 174.900 0.211 0.000 1.337 299 G CA -0.466 44.745 45.100 0.185 0.000 0.829 299 G HN -0.022 nan 8.290 nan 0.000 0.599 300 I N 1.447 122.097 120.570 0.134 0.000 2.163 300 I HA -0.241 3.930 4.170 0.000 0.000 0.243 300 I C 3.299 179.530 176.117 0.189 0.000 1.085 300 I CA 2.685 64.082 61.300 0.162 0.000 1.347 300 I CB -1.672 36.369 38.000 0.067 0.000 1.044 300 I HN 0.938 nan 8.210 nan 0.000 0.408 301 A N 0.746 123.632 122.820 0.111 0.000 1.884 301 A HA -0.309 4.011 4.320 0.000 0.000 0.219 301 A C 2.461 180.085 177.584 0.066 0.000 1.197 301 A CA 2.397 54.477 52.037 0.072 0.000 0.637 301 A CB -0.771 18.252 19.000 0.039 0.000 0.827 301 A HN 0.402 nan 8.150 nan 0.000 0.450 302 K N -1.841 118.604 120.400 0.074 0.000 2.097 302 K HA -0.164 4.156 4.320 0.000 0.000 0.206 302 K C 1.814 178.448 176.600 0.057 0.000 1.049 302 K CA 1.648 57.925 56.287 -0.016 0.000 0.933 302 K CB -0.290 32.142 32.500 -0.112 0.000 0.717 302 K HN 0.470 nan 8.250 nan 0.000 0.442 303 F N 1.591 121.634 119.950 0.155 0.000 2.128 303 F HA -0.094 4.433 4.527 0.000 0.000 0.295 303 F C 2.434 178.304 175.800 0.117 0.000 1.100 303 F CA 1.475 59.636 58.000 0.268 0.000 1.260 303 F CB -0.275 38.873 39.000 0.246 0.000 1.009 303 F HN -0.093 nan 8.300 nan 0.000 0.476 304 R N 0.335 120.833 120.500 -0.004 0.000 2.091 304 R HA -0.250 4.091 4.340 0.000 0.000 0.238 304 R C 2.273 178.496 176.300 -0.129 0.000 1.136 304 R CA 1.972 58.008 56.100 -0.106 0.000 0.959 304 R CB -0.512 29.804 30.300 0.027 0.000 0.856 304 R HN 0.378 nan 8.270 nan 0.000 0.437 305 E N -0.094 120.056 120.200 -0.083 0.000 2.049 305 E HA -0.174 4.176 4.350 0.000 0.000 0.198 305 E C 1.808 178.339 176.600 -0.115 0.000 1.007 305 E CA 2.010 58.358 56.400 -0.086 0.000 0.809 305 E CB -0.222 29.424 29.700 -0.089 0.000 0.749 305 E HN 0.212 nan 8.360 nan 0.000 0.450 306 V N 0.455 120.271 119.914 -0.163 0.000 2.427 306 V HA -0.194 3.926 4.120 0.000 0.000 0.248 306 V C 2.339 178.396 176.094 -0.061 0.000 1.051 306 V CA 1.492 63.707 62.300 -0.142 0.000 1.048 306 V CB -0.509 31.197 31.823 -0.195 0.000 0.666 306 V HN 0.320 nan 8.190 nan 0.000 0.456 307 L N 0.388 121.481 121.223 -0.218 0.000 1.994 307 L HA -0.176 4.164 4.340 0.000 0.000 0.208 307 L C 2.402 179.266 176.870 -0.009 0.000 1.071 307 L CA 2.060 56.799 54.840 -0.169 0.000 0.745 307 L CB -0.720 41.089 42.059 -0.416 0.000 0.892 307 L HN 0.364 nan 8.230 nan 0.000 0.431 308 E N -1.329 118.844 120.200 -0.046 0.000 2.072 308 E HA -0.183 4.167 4.350 0.000 0.000 0.191 308 E C 1.928 178.529 176.600 0.002 0.000 0.985 308 E CA 1.761 58.158 56.400 -0.006 0.000 0.801 308 E CB -0.160 29.532 29.700 -0.014 0.000 0.750 308 E HN 0.736 nan 8.360 nan 0.000 0.452 309 T N -1.592 112.950 114.554 -0.019 0.000 2.976 309 T HA 0.043 4.393 4.350 0.000 0.000 0.257 309 T C 1.739 176.408 174.700 -0.052 0.000 1.051 309 T CA 0.456 62.538 62.100 -0.030 0.000 1.141 309 T CB 0.008 68.851 68.868 -0.043 0.000 0.881 309 T HN 0.024 nan 8.240 nan 0.000 0.461 310 E N -0.412 119.746 120.200 -0.070 0.000 2.216 310 E HA 0.118 4.468 4.350 0.000 0.000 0.192 310 E C 1.365 177.731 176.600 -0.391 0.000 0.973 310 E CA 0.573 56.835 56.400 -0.230 0.000 0.851 310 E CB 0.137 29.660 29.700 -0.296 0.000 0.804 310 E HN 0.601 nan 8.360 nan 0.000 0.477 311 Y N -0.374 119.933 120.300 0.012 0.000 2.576 311 Y HA 0.144 4.694 4.550 0.000 0.000 0.282 311 Y C 1.956 177.875 175.900 0.032 0.000 1.139 311 Y CA 0.105 58.223 58.100 0.031 0.000 1.265 311 Y CB 0.216 38.693 38.460 0.028 0.000 1.376 311 Y HN -0.127 nan 8.280 nan 0.000 0.511 312 L N -0.088 121.231 121.223 0.161 0.000 2.240 312 L HA -0.054 4.286 4.340 0.000 0.000 0.211 312 L C 0.449 177.359 176.870 0.067 0.000 1.106 312 L CA 0.638 55.542 54.840 0.108 0.000 0.793 312 L CB -0.174 41.937 42.059 0.086 0.000 0.927 312 L HN 0.071 nan 8.230 nan 0.000 0.446 313 K N 1.244 121.668 120.400 0.040 0.000 3.069 313 K HA -0.193 4.128 4.320 0.000 0.000 0.267 313 K C -0.354 176.260 176.600 0.024 0.000 1.082 313 K CA 0.857 57.156 56.287 0.019 0.000 0.782 313 K CB -1.839 30.672 32.500 0.018 0.000 1.230 313 K HN 0.685 nan 8.250 nan 0.000 0.488 314 R N -2.364 118.153 120.500 0.028 0.000 2.687 314 R HA 0.435 4.775 4.340 0.000 0.000 0.265 314 R C -3.196 173.121 176.300 0.028 0.000 1.048 314 R CA -1.715 54.402 56.100 0.028 0.000 0.884 314 R CB 1.306 31.627 30.300 0.035 0.000 1.258 314 R HN -0.245 nan 8.270 nan 0.000 0.469 315 P HA 0.157 nan 4.420 nan 0.000 0.274 315 P C -0.544 176.782 177.300 0.044 0.000 1.231 315 P CA -0.366 62.753 63.100 0.031 0.000 0.790 315 P CB 0.788 32.507 31.700 0.031 0.000 0.951 316 L N 2.156 123.411 121.223 0.052 0.000 2.357 316 L HA 0.363 4.703 4.340 0.000 0.000 0.273 316 L C 0.975 177.900 176.870 0.093 0.000 1.080 316 L CA -1.045 53.840 54.840 0.075 0.000 0.803 316 L CB 0.387 42.496 42.059 0.082 0.000 1.174 316 L HN 0.260 nan 8.230 nan 0.000 0.443 317 I N 1.665 122.308 120.570 0.121 0.000 2.648 317 I HA -0.032 4.138 4.170 0.000 0.000 0.284 317 I C 0.096 176.338 176.117 0.208 0.000 1.153 317 I CA 0.001 61.385 61.300 0.140 0.000 1.426 317 I CB 0.362 38.434 38.000 0.120 0.000 1.381 317 I HN 0.509 nan 8.210 nan 0.000 0.571 318 D N 4.240 124.761 120.400 0.202 0.000 2.362 318 D HA 0.493 5.133 4.640 0.000 0.000 0.242 318 D C 0.240 176.757 176.300 0.362 0.000 1.132 318 D CA 0.305 54.437 54.000 0.220 0.000 0.907 318 D CB 1.200 42.094 40.800 0.158 0.000 1.195 318 D HN 0.708 nan 8.370 nan 0.000 0.429 319 G N 0.230 109.208 108.800 0.297 0.000 2.692 319 G HA2 0.604 4.564 3.960 0.000 0.000 0.291 319 G HA3 0.604 4.564 3.960 0.000 0.000 0.291 319 G C -2.945 172.042 174.900 0.144 0.000 1.423 319 G CA -1.065 44.235 45.100 0.334 0.000 0.843 319 G HN 0.295 nan 8.290 nan 0.000 0.486 320 P HA 0.593 nan 4.420 nan 0.000 0.281 320 P C -0.307 177.048 177.300 0.091 0.000 1.264 320 P CA -0.277 62.846 63.100 0.038 0.000 0.824 320 P CB 1.786 33.473 31.700 -0.022 0.000 1.092 321 A N 2.052 124.911 122.820 0.066 0.000 2.316 321 A HA 0.629 4.949 4.320 0.000 0.000 0.284 321 A C -2.051 175.617 177.584 0.140 0.000 1.115 321 A CA -1.253 50.856 52.037 0.119 0.000 0.812 321 A CB -0.856 18.196 19.000 0.087 0.000 1.064 321 A HN 0.465 nan 8.150 nan 0.000 0.489 322 P HA 0.238 nan 4.420 nan 0.000 0.279 322 P C -0.790 176.590 177.300 0.134 0.000 1.252 322 P CA -0.542 62.644 63.100 0.143 0.000 0.811 322 P CB 0.610 32.397 31.700 0.144 0.000 1.035 323 E N 2.117 122.371 120.200 0.089 0.000 2.383 323 E HA 0.085 4.435 4.350 0.000 0.000 0.257 323 E C -1.887 174.760 176.600 0.078 0.000 1.079 323 E CA -1.057 55.385 56.400 0.071 0.000 0.934 323 E CB -0.759 28.964 29.700 0.039 0.000 0.978 323 E HN 0.310 nan 8.360 nan 0.000 0.462 324 P HA -0.090 nan 4.420 nan 0.000 0.264 324 P C -0.036 177.282 177.300 0.031 0.000 1.183 324 P CA -0.047 63.108 63.100 0.091 0.000 0.763 324 P CB 0.375 32.137 31.700 0.103 0.000 0.807 325 V N 1.072 120.995 119.914 0.015 0.000 2.963 325 V HA 0.099 4.219 4.120 0.000 0.000 0.306 325 V C 1.294 177.327 176.094 -0.102 0.000 1.077 325 V CA 0.098 62.372 62.300 -0.044 0.000 1.124 325 V CB 0.361 32.163 31.823 -0.036 0.000 0.987 325 V HN 0.331 nan 8.190 nan 0.000 0.487 326 K N 0.948 121.207 120.400 -0.235 0.000 2.005 326 K HA 0.120 4.440 4.320 0.000 0.000 0.206 326 K C 0.822 177.217 176.600 -0.341 0.000 1.044 326 K CA 1.363 57.418 56.287 -0.387 0.000 0.942 326 K CB -0.208 31.854 32.500 -0.729 0.000 0.727 326 K HN 0.904 nan 8.250 nan 0.000 0.439 327 H N -0.140 118.900 119.070 -0.050 0.000 2.567 327 H HA 0.374 4.930 4.556 0.000 0.000 0.345 327 H C -2.264 173.016 175.328 -0.079 0.000 1.169 327 H CA -2.981 53.025 56.048 -0.071 0.000 1.227 327 H CB 0.195 29.912 29.762 -0.077 0.000 1.607 327 H HN -0.036 nan 8.280 nan 0.000 0.534 328 P HA 0.287 nan 4.420 nan 0.000 0.276 328 P C -0.151 177.060 177.300 -0.148 0.000 1.252 328 P CA -0.490 62.558 63.100 -0.088 0.000 0.802 328 P CB 0.931 32.523 31.700 -0.180 0.000 1.035 329 I N 1.852 122.309 120.570 -0.188 0.000 2.337 329 I HA 0.153 4.323 4.170 0.000 0.000 0.285 329 I C 0.523 176.416 176.117 -0.373 0.000 1.041 329 I CA -0.093 61.029 61.300 -0.298 0.000 1.199 329 I CB 0.756 38.575 38.000 -0.302 0.000 1.370 329 I HN 0.347 nan 8.210 nan 0.000 0.470 330 D N 3.904 124.088 120.400 -0.360 0.000 2.379 330 D HA -0.067 4.573 4.640 0.000 0.000 0.208 330 D C 0.837 177.134 176.300 -0.005 0.000 1.065 330 D CA -0.022 53.846 54.000 -0.220 0.000 0.848 330 D CB -0.017 40.607 40.800 -0.293 0.000 0.949 330 D HN 0.534 nan 8.370 nan 0.000 0.509 331 H N -1.288 117.774 119.070 -0.014 0.000 2.921 331 H HA -0.136 4.420 4.556 0.000 0.000 0.281 331 H C -0.291 175.041 175.328 0.007 0.000 1.165 331 H CA 0.654 56.706 56.048 0.008 0.000 1.151 331 H CB -2.040 27.739 29.762 0.029 0.000 1.311 331 H HN 0.171 nan 8.280 nan 0.000 0.361 332 V N 0.349 120.299 119.914 0.060 0.000 2.637 332 V HA 0.459 4.579 4.120 0.000 0.000 0.296 332 V C 1.364 177.473 176.094 0.026 0.000 1.046 332 V CA 1.317 63.643 62.300 0.042 0.000 1.066 332 V CB 1.372 33.201 31.823 0.010 0.000 0.968 332 V HN 0.930 nan 8.190 nan 0.000 0.483 333 G N 3.901 112.717 108.800 0.027 0.000 2.582 333 G HA2 -0.082 3.878 3.960 0.000 0.000 0.222 333 G HA3 -0.082 3.878 3.960 0.000 0.000 0.222 333 G C -0.860 174.055 174.900 0.025 0.000 1.311 333 G CA -0.456 44.653 45.100 0.015 0.000 0.915 333 G HN 0.918 nan 8.290 nan 0.000 0.528 334 V N 2.056 121.981 119.914 0.017 0.000 2.439 334 V HA 0.664 4.784 4.120 0.000 0.000 0.282 334 V C 0.562 176.671 176.094 0.024 0.000 1.039 334 V CA 0.548 62.859 62.300 0.019 0.000 0.913 334 V CB 1.053 32.883 31.823 0.011 0.000 0.983 334 V HN 1.107 nan 8.190 nan 0.000 0.460 335 Q N 3.871 123.690 119.800 0.031 0.000 2.456 335 Q HA 0.760 5.100 4.340 0.000 0.000 0.283 335 Q C -0.897 175.119 176.000 0.027 0.000 1.084 335 Q CA -1.195 54.628 55.803 0.034 0.000 0.801 335 Q CB 2.505 31.277 28.738 0.057 0.000 1.434 335 Q HN 0.557 nan 8.270 nan 0.000 0.419 336 R N 1.381 121.895 120.500 0.025 0.000 2.457 336 R HA 0.601 4.941 4.340 0.000 0.000 0.284 336 R C -1.195 175.118 176.300 0.021 0.000 1.024 336 R CA -0.204 55.908 56.100 0.019 0.000 1.025 336 R CB 0.796 31.106 30.300 0.016 0.000 1.063 336 R HN 0.736 nan 8.270 nan 0.000 0.493 337 L N 3.694 124.926 121.223 0.015 0.000 2.319 337 L HA 0.420 4.760 4.340 0.000 0.000 0.267 337 L C 1.051 177.928 176.870 0.012 0.000 1.011 337 L CA -1.056 53.792 54.840 0.013 0.000 0.818 337 L CB 1.891 43.953 42.059 0.006 0.000 1.316 337 L HN 0.717 nan 8.230 nan 0.000 0.432 338 K N 0.530 120.937 120.400 0.012 0.000 2.127 338 K HA -0.207 4.113 4.320 0.000 0.000 0.208 338 K C 1.628 178.233 176.600 0.008 0.000 1.047 338 K CA 1.563 57.856 56.287 0.011 0.000 0.927 338 K CB -0.068 32.439 32.500 0.012 0.000 0.716 338 K HN 0.469 nan 8.250 nan 0.000 0.450 339 N N -0.404 118.299 118.700 0.005 0.000 2.133 339 N HA -0.195 4.545 4.740 0.000 0.000 0.193 339 N C 1.452 176.964 175.510 0.004 0.000 1.012 339 N CA 1.845 54.897 53.050 0.003 0.000 0.871 339 N CB -0.248 38.240 38.487 0.001 0.000 1.011 339 N HN 0.487 nan 8.380 nan 0.000 0.435 340 G N -0.986 107.817 108.800 0.006 0.000 2.217 340 G HA2 -0.258 3.702 3.960 0.000 0.000 0.246 340 G HA3 -0.258 3.702 3.960 0.000 0.000 0.246 340 G C 0.264 175.167 174.900 0.005 0.000 0.990 340 G CA 0.458 45.562 45.100 0.006 0.000 0.627 340 G HN 0.283 nan 8.290 nan 0.000 0.522 341 L N 0.074 121.299 121.223 0.004 0.000 2.744 341 L HA 0.504 4.844 4.340 0.000 0.000 0.218 341 L C 0.605 177.477 176.870 0.004 0.000 1.190 341 L CA -0.950 53.892 54.840 0.003 0.000 0.869 341 L CB 0.225 42.284 42.059 0.000 0.000 1.652 341 L HN 0.120 nan 8.230 nan 0.000 0.519 342 N N -0.344 118.358 118.700 0.003 0.000 2.272 342 N HA 0.583 5.323 4.740 0.000 0.000 0.305 342 N C -1.157 174.354 175.510 0.003 0.000 1.103 342 N CA -0.455 52.598 53.050 0.006 0.000 0.791 342 N CB 2.311 40.802 38.487 0.007 0.000 1.356 342 N HN 0.569 nan 8.380 nan 0.000 0.486 343 A N 1.071 123.895 122.820 0.007 0.000 2.324 343 A HA 0.678 4.998 4.320 0.000 0.000 0.330 343 A C -0.513 177.080 177.584 0.014 0.000 1.165 343 A CA -0.549 51.490 52.037 0.003 0.000 0.813 343 A CB 0.883 19.881 19.000 -0.003 0.000 1.197 343 A HN 0.382 nan 8.150 nan 0.000 0.484 344 V N 1.599 121.520 119.914 0.012 0.000 2.483 344 V HA 0.651 4.771 4.120 0.000 0.000 0.297 344 V C 0.628 176.738 176.094 0.027 0.000 1.027 344 V CA -0.241 62.071 62.300 0.020 0.000 0.855 344 V CB 1.537 33.369 31.823 0.014 0.000 0.995 344 V HN 1.177 nan 8.190 nan 0.000 0.424 345 G N 3.116 111.942 108.800 0.043 0.000 2.371 345 G HA2 0.721 4.681 3.960 0.000 0.000 0.326 345 G HA3 0.721 4.681 3.960 0.000 0.000 0.326 345 G C -0.638 174.292 174.900 0.051 0.000 1.127 345 G CA -0.517 44.619 45.100 0.059 0.000 0.885 345 G HN 0.968 nan 8.290 nan 0.000 0.477 346 V N -1.070 118.879 119.914 0.060 0.000 3.001 346 V HA 0.928 5.048 4.120 0.000 0.000 0.314 346 V C -0.051 176.081 176.094 0.064 0.000 1.099 346 V CA -1.313 61.019 62.300 0.053 0.000 0.989 346 V CB 1.707 33.560 31.823 0.050 0.000 1.040 346 V HN 1.336 nan 8.190 nan 0.000 0.434 347 A N 3.716 126.567 122.820 0.051 0.000 2.323 347 A HA 0.915 5.235 4.320 0.000 0.000 0.305 347 A C -2.448 175.165 177.584 0.049 0.000 1.275 347 A CA -1.653 50.417 52.037 0.054 0.000 0.804 347 A CB 0.804 19.828 19.000 0.040 0.000 1.152 347 A HN 0.745 nan 8.150 nan 0.000 0.487 348 P HA 0.354 nan 4.420 nan 0.000 0.302 348 P C -0.377 176.945 177.300 0.037 0.000 1.301 348 P CA -0.348 62.777 63.100 0.042 0.000 0.745 348 P CB 0.619 32.345 31.700 0.044 0.000 1.331 349 I N -0.495 120.090 120.570 0.024 0.000 2.306 349 I HA 0.341 4.511 4.170 0.000 0.000 0.288 349 I C 0.404 176.535 176.117 0.022 0.000 1.036 349 I CA -0.511 60.802 61.300 0.021 0.000 1.221 349 I CB 0.019 38.016 38.000 -0.006 0.000 1.385 349 I HN 0.471 nan 8.210 nan 0.000 0.472 350 A N 4.963 127.805 122.820 0.037 0.000 2.687 350 A HA -0.118 4.202 4.320 0.000 0.000 0.299 350 A C 1.471 179.070 177.584 0.025 0.000 1.497 350 A CA 0.829 52.887 52.037 0.036 0.000 0.751 350 A CB -1.842 17.175 19.000 0.029 0.000 1.048 350 A HN 1.670 nan 8.150 nan 0.000 0.464 351 G N -1.562 107.251 108.800 0.023 0.000 2.184 351 G HA2 -0.313 3.647 3.960 0.000 0.000 0.264 351 G HA3 -0.313 3.647 3.960 0.000 0.000 0.264 351 G C 0.240 175.138 174.900 -0.003 0.000 0.975 351 G CA 1.339 46.438 45.100 -0.001 0.000 0.642 351 G HN 1.898 nan 8.290 nan 0.000 0.536 352 R N 0.502 121.012 120.500 0.017 0.000 2.242 352 R HA 0.555 4.895 4.340 0.000 0.000 0.334 352 R C 1.003 177.323 176.300 0.034 0.000 1.071 352 R CA 0.223 56.341 56.100 0.031 0.000 0.922 352 R CB 0.520 30.841 30.300 0.035 0.000 1.023 352 R HN 0.656 nan 8.270 nan 0.000 0.458 353 V N 0.652 120.591 119.914 0.041 0.000 5.412 353 V HA 0.764 4.884 4.120 0.000 0.000 0.289 353 V C -0.499 175.641 176.094 0.076 0.000 1.523 353 V CA -0.050 62.283 62.300 0.055 0.000 0.771 353 V CB 1.273 33.130 31.823 0.057 0.000 1.379 353 V HN 0.851 nan 8.190 nan 0.000 0.431 354 S N -2.562 113.190 115.700 0.088 0.000 2.611 354 S HA 0.571 5.041 4.470 0.000 0.000 0.270 354 S C 0.610 175.279 174.600 0.114 0.000 1.131 354 S CA -0.009 58.255 58.200 0.106 0.000 0.826 354 S CB 0.636 63.889 63.200 0.087 0.000 1.095 354 S HN 1.847 nan 8.310 nan 0.000 0.461 355 G N 1.165 110.038 108.800 0.122 0.000 2.459 355 G HA2 -0.127 3.833 3.960 0.000 0.000 0.217 355 G HA3 -0.127 3.833 3.960 0.000 0.000 0.217 355 G C 1.185 176.133 174.900 0.080 0.000 1.183 355 G CA 1.766 46.932 45.100 0.111 0.000 0.776 355 G HN 0.904 nan 8.290 nan 0.000 0.552 356 T N 1.166 115.755 114.554 0.059 0.000 2.721 356 T HA -0.137 4.213 4.350 0.000 0.000 0.268 356 T C 2.340 177.071 174.700 0.052 0.000 1.038 356 T CA 1.306 63.432 62.100 0.045 0.000 1.145 356 T CB -0.157 68.733 68.868 0.035 0.000 0.858 356 T HN 0.269 nan 8.240 nan 0.000 0.459 357 I N 0.128 120.736 120.570 0.064 0.000 2.277 357 I HA -0.042 4.128 4.170 0.000 0.000 0.243 357 I C 2.185 178.349 176.117 0.079 0.000 1.094 357 I CA 0.915 62.254 61.300 0.065 0.000 1.393 357 I CB -0.235 37.804 38.000 0.066 0.000 1.078 357 I HN 0.181 nan 8.210 nan 0.000 0.417 358 L N -0.055 121.228 121.223 0.100 0.000 2.083 358 L HA -0.193 4.147 4.340 0.000 0.000 0.209 358 L C 2.565 179.492 176.870 0.096 0.000 1.083 358 L CA 1.407 56.320 54.840 0.122 0.000 0.752 358 L CB -1.022 41.133 42.059 0.161 0.000 0.899 358 L HN 0.258 nan 8.230 nan 0.000 0.433 359 T N 0.017 114.619 114.554 0.080 0.000 2.746 359 T HA -0.155 4.195 4.350 0.000 0.000 0.267 359 T C 2.062 176.790 174.700 0.047 0.000 1.039 359 T CA 1.316 63.452 62.100 0.060 0.000 1.142 359 T CB -0.215 68.681 68.868 0.047 0.000 0.866 359 T HN 0.449 nan 8.240 nan 0.000 0.444 360 A N 0.994 123.842 122.820 0.046 0.000 1.902 360 A HA -0.062 4.258 4.320 0.000 0.000 0.217 360 A C 2.576 180.183 177.584 0.038 0.000 1.181 360 A CA 1.389 53.449 52.037 0.037 0.000 0.623 360 A CB -1.039 17.983 19.000 0.036 0.000 0.818 360 A HN 0.358 nan 8.150 nan 0.000 0.443 361 V N -0.162 119.781 119.914 0.048 0.000 2.407 361 V HA -0.237 3.883 4.120 0.000 0.000 0.248 361 V C 3.027 179.141 176.094 0.033 0.000 1.055 361 V CA 1.785 64.111 62.300 0.044 0.000 1.049 361 V CB -1.184 30.675 31.823 0.060 0.000 0.662 361 V HN 0.626 nan 8.190 nan 0.000 0.455 362 A N -0.005 122.838 122.820 0.038 0.000 1.908 362 A HA -0.260 4.060 4.320 0.000 0.000 0.218 362 A C 2.012 179.609 177.584 0.021 0.000 1.181 362 A CA 2.079 54.133 52.037 0.028 0.000 0.627 362 A CB -0.565 18.456 19.000 0.036 0.000 0.818 362 A HN 0.553 nan 8.150 nan 0.000 0.445 363 D N 0.062 120.475 120.400 0.023 0.000 2.144 363 D HA -0.084 4.557 4.640 0.000 0.000 0.200 363 D C 1.984 178.292 176.300 0.014 0.000 0.978 363 D CA 0.925 54.936 54.000 0.017 0.000 0.833 363 D CB -0.340 40.471 40.800 0.017 0.000 0.961 363 D HN 0.455 nan 8.370 nan 0.000 0.470 364 L N 0.163 121.396 121.223 0.016 0.000 2.083 364 L HA -0.133 4.207 4.340 0.000 0.000 0.209 364 L C 2.613 179.489 176.870 0.010 0.000 1.083 364 L CA 0.779 55.627 54.840 0.014 0.000 0.752 364 L CB -0.340 41.729 42.059 0.017 0.000 0.899 364 L HN 0.021 nan 8.230 nan 0.000 0.433 365 M N -0.639 118.966 119.600 0.008 0.000 2.117 365 M HA -0.207 4.273 4.480 0.000 0.000 0.262 365 M C 2.501 178.802 176.300 0.002 0.000 1.065 365 M CA 1.956 57.258 55.300 0.002 0.000 1.114 365 M CB -0.424 32.175 32.600 -0.003 0.000 1.361 365 M HN 0.331 nan 8.290 nan 0.000 0.408 366 A N 0.036 122.859 122.820 0.005 0.000 1.873 366 A HA -0.139 4.182 4.320 0.000 0.000 0.215 366 A C 2.125 179.712 177.584 0.005 0.000 1.186 366 A CA 1.388 53.428 52.037 0.005 0.000 0.616 366 A CB -0.651 18.354 19.000 0.008 0.000 0.823 366 A HN 0.385 nan 8.150 nan 0.000 0.442 367 R N -0.776 119.728 120.500 0.006 0.000 2.170 367 R HA -0.148 4.193 4.340 0.000 0.000 0.242 367 R C 1.792 178.094 176.300 0.004 0.000 1.145 367 R CA 1.229 57.333 56.100 0.006 0.000 0.984 367 R CB -0.271 30.033 30.300 0.007 0.000 0.869 367 R HN 0.512 nan 8.270 nan 0.000 0.455 368 A N -0.889 121.933 122.820 0.003 0.000 2.348 368 A HA 0.289 4.609 4.320 0.000 0.000 0.224 368 A C 1.094 178.678 177.584 0.001 0.000 1.227 368 A CA 0.552 52.590 52.037 0.002 0.000 0.885 368 A CB 0.498 19.500 19.000 0.002 0.000 0.933 368 A HN 0.377 nan 8.150 nan 0.000 0.506 369 G N -0.389 108.411 108.800 0.000 0.000 2.160 369 G HA2 -0.194 3.766 3.960 0.000 0.000 0.251 369 G HA3 -0.194 3.766 3.960 0.000 0.000 0.251 369 G C 0.249 175.147 174.900 -0.003 0.000 1.008 369 G CA 0.601 45.701 45.100 -0.001 0.000 0.724 369 G HN 1.294 nan 8.290 nan 0.000 0.514 370 S N -0.806 114.891 115.700 -0.005 0.000 2.451 370 S HA 0.594 5.064 4.470 0.000 0.000 0.301 370 S C 0.182 174.774 174.600 -0.013 0.000 1.116 370 S CA 0.121 58.315 58.200 -0.010 0.000 1.093 370 S CB 1.770 64.963 63.200 -0.013 0.000 1.017 370 S HN 0.239 nan 8.310 nan 0.000 0.482 371 D N 2.761 123.151 120.400 -0.017 0.000 2.501 371 D HA 0.283 4.923 4.640 0.000 0.000 0.224 371 D C -0.385 175.896 176.300 -0.032 0.000 1.202 371 D CA -0.058 53.931 54.000 -0.019 0.000 0.829 371 D CB 0.336 41.128 40.800 -0.012 0.000 1.023 371 D HN 0.488 nan 8.370 nan 0.000 0.499 372 R N 0.323 120.799 120.500 -0.040 0.000 2.575 372 R HA 0.624 4.964 4.340 0.000 0.000 0.293 372 R C -1.090 175.160 176.300 -0.082 0.000 0.983 372 R CA -0.660 55.403 56.100 -0.061 0.000 0.887 372 R CB 2.596 32.863 30.300 -0.055 0.000 1.184 372 R HN 0.072 nan 8.270 nan 0.000 0.445 373 I N 1.300 121.794 120.570 -0.127 0.000 2.730 373 I HA 0.603 4.773 4.170 0.000 0.000 0.298 373 I C -1.240 174.716 176.117 -0.267 0.000 1.089 373 I CA -1.108 60.084 61.300 -0.181 0.000 1.041 373 I CB 1.999 39.874 38.000 -0.208 0.000 1.235 373 I HN 0.545 nan 8.210 nan 0.000 0.423 374 R N 4.814 125.154 120.500 -0.266 0.000 2.628 374 R HA 0.552 4.892 4.340 0.000 0.000 0.288 374 R C -1.508 174.642 176.300 -0.249 0.000 0.980 374 R CA -0.375 55.564 56.100 -0.267 0.000 0.891 374 R CB 1.652 31.870 30.300 -0.137 0.000 1.188 374 R HN 0.324 nan 8.270 nan 0.000 0.450 375 F N 0.005 119.954 119.950 -0.003 0.000 2.370 375 F HA 0.447 4.974 4.527 0.000 0.000 0.319 375 F C 0.963 176.772 175.800 0.015 0.000 1.129 375 F CA -0.258 57.746 58.000 0.008 0.000 1.109 375 F CB 1.189 40.189 39.000 -0.001 0.000 1.262 375 F HN 0.248 nan 8.300 nan 0.000 0.534 376 T N 2.381 117.087 114.554 0.254 0.000 2.885 376 T HA 0.304 4.655 4.350 0.000 0.000 0.285 376 T C -2.209 172.563 174.700 0.120 0.000 1.019 376 T CA -1.309 60.905 62.100 0.189 0.000 1.010 376 T CB 1.945 70.952 68.868 0.232 0.000 1.022 376 T HN 0.203 nan 8.240 nan 0.000 0.466 377 P HA 0.100 nan 4.420 nan 0.000 0.251 377 P C -0.401 176.643 177.300 -0.426 0.000 1.251 377 P CA 0.630 63.634 63.100 -0.159 0.000 0.763 377 P CB -0.213 31.359 31.700 -0.214 0.000 1.067 378 Y N -1.058 119.272 120.300 0.050 0.000 2.715 378 Y HA 0.236 4.786 4.550 0.000 0.000 0.255 378 Y C 0.536 176.459 175.900 0.039 0.000 1.139 378 Y CA -0.378 57.745 58.100 0.039 0.000 1.151 378 Y CB -0.178 38.308 38.460 0.043 0.000 1.201 378 Y HN -0.130 nan 8.280 nan 0.000 0.556 379 Q N -0.569 119.290 119.800 0.098 0.000 2.493 379 Q HA -0.230 4.110 4.340 0.000 0.000 0.278 379 Q C -0.547 175.509 176.000 0.093 0.000 1.216 379 Q CA 0.758 56.596 55.803 0.058 0.000 0.875 379 Q CB -1.342 27.419 28.738 0.037 0.000 1.262 379 Q HN 0.409 nan 8.270 nan 0.000 0.468 380 K N 0.368 120.856 120.400 0.146 0.000 2.346 380 K HA 0.859 5.179 4.320 0.000 0.000 0.238 380 K C -0.495 176.236 176.600 0.217 0.000 1.039 380 K CA -0.769 55.613 56.287 0.159 0.000 0.861 380 K CB 1.314 33.911 32.500 0.161 0.000 1.278 380 K HN 0.217 nan 8.250 nan 0.000 0.460 381 L N -1.777 119.562 121.223 0.194 0.000 2.422 381 L HA 0.842 5.182 4.340 0.000 0.000 0.264 381 L C -1.067 175.858 176.870 0.092 0.000 0.984 381 L CA -1.206 53.750 54.840 0.192 0.000 0.819 381 L CB 1.863 44.085 42.059 0.272 0.000 1.330 381 L HN 0.366 nan 8.230 nan 0.000 0.410 382 V N 3.317 123.249 119.914 0.030 0.000 2.588 382 V HA 0.606 4.726 4.120 0.000 0.000 0.304 382 V C -0.595 175.473 176.094 -0.044 0.000 1.042 382 V CA -0.426 61.874 62.300 0.000 0.000 0.877 382 V CB 1.945 33.767 31.823 -0.002 0.000 0.996 382 V HN 0.669 nan 8.190 nan 0.000 0.425 383 I N 6.806 127.360 120.570 -0.028 0.000 2.385 383 I HA 0.440 4.611 4.170 0.000 0.000 0.294 383 I C 0.138 176.235 176.117 -0.033 0.000 0.988 383 I CA -0.302 60.975 61.300 -0.037 0.000 1.265 383 I CB 1.260 39.249 38.000 -0.018 0.000 1.388 383 I HN 0.587 nan 8.210 nan 0.000 0.480 384 L N 4.425 125.624 121.223 -0.040 0.000 2.365 384 L HA 0.488 4.829 4.340 0.000 0.000 0.267 384 L C -0.010 176.847 176.870 -0.021 0.000 1.033 384 L CA -0.745 54.077 54.840 -0.031 0.000 0.802 384 L CB 0.622 42.658 42.059 -0.038 0.000 1.267 384 L HN 0.524 nan 8.230 nan 0.000 0.457 385 D N 0.040 120.431 120.400 -0.015 0.000 2.835 385 D HA -0.135 4.505 4.640 0.000 0.000 0.230 385 D C -0.591 175.706 176.300 -0.006 0.000 1.130 385 D CA 0.635 54.629 54.000 -0.010 0.000 0.738 385 D CB -1.210 39.583 40.800 -0.011 0.000 1.090 385 D HN 0.118 nan 8.370 nan 0.000 0.433 386 I N 0.912 121.479 120.570 -0.005 0.000 2.322 386 I HA 0.236 4.406 4.170 0.000 0.000 0.292 386 I C -1.719 174.398 176.117 0.000 0.000 1.060 386 I CA -2.385 58.914 61.300 -0.001 0.000 1.309 386 I CB -0.167 37.833 38.000 0.000 0.000 1.415 386 I HN -0.174 nan 8.210 nan 0.000 0.492 387 P HA 0.164 nan 4.420 nan 0.000 0.274 387 P C 0.165 177.466 177.300 0.003 0.000 1.231 387 P CA -0.211 62.891 63.100 0.002 0.000 0.790 387 P CB 1.374 33.075 31.700 0.002 0.000 0.951 388 D N 2.134 122.536 120.400 0.003 0.000 2.133 388 D HA -0.210 4.430 4.640 0.000 0.000 0.192 388 D C 2.073 178.375 176.300 0.003 0.000 1.001 388 D CA 2.353 56.355 54.000 0.003 0.000 0.844 388 D CB -0.888 39.914 40.800 0.003 0.000 0.944 388 D HN 0.447 nan 8.370 nan 0.000 0.447 389 A N 0.041 122.863 122.820 0.003 0.000 1.948 389 A HA -0.139 4.181 4.320 0.000 0.000 0.220 389 A C 2.181 179.766 177.584 0.003 0.000 1.177 389 A CA 1.141 53.180 52.037 0.003 0.000 0.636 389 A CB -0.567 18.435 19.000 0.003 0.000 0.815 389 A HN 0.302 nan 8.150 nan 0.000 0.449 390 L N -1.105 120.120 121.223 0.003 0.000 2.640 390 L HA 0.130 4.470 4.340 0.000 0.000 0.230 390 L C 2.010 178.883 176.870 0.004 0.000 1.123 390 L CA -0.244 54.598 54.840 0.003 0.000 0.900 390 L CB 0.038 42.099 42.059 0.003 0.000 1.146 390 L HN 0.346 nan 8.230 nan 0.000 0.484 391 L N 0.388 121.613 121.223 0.004 0.000 1.976 391 L HA -0.207 4.133 4.340 0.000 0.000 0.209 391 L C 1.968 178.840 176.870 0.005 0.000 1.071 391 L CA 2.030 56.873 54.840 0.004 0.000 0.746 391 L CB -0.423 41.639 42.059 0.004 0.000 0.890 391 L HN 0.170 nan 8.230 nan 0.000 0.432 392 D N -0.296 120.106 120.400 0.004 0.000 2.116 392 D HA -0.213 4.427 4.640 0.000 0.000 0.193 392 D C 1.886 178.189 176.300 0.005 0.000 0.998 392 D CA 1.570 55.572 54.000 0.004 0.000 0.836 392 D CB -0.278 40.524 40.800 0.003 0.000 0.951 392 D HN 0.383 nan 8.370 nan 0.000 0.449 393 D N -0.362 120.041 120.400 0.005 0.000 2.104 393 D HA -0.129 4.511 4.640 0.000 0.000 0.194 393 D C 2.090 178.394 176.300 0.007 0.000 0.994 393 D CA 0.327 54.330 54.000 0.006 0.000 0.830 393 D CB -0.383 40.420 40.800 0.005 0.000 0.959 393 D HN 0.113 nan 8.370 nan 0.000 0.452 394 L N 0.707 121.934 121.223 0.007 0.000 1.989 394 L HA -0.176 4.164 4.340 0.000 0.000 0.211 394 L C 2.126 179.002 176.870 0.010 0.000 1.071 394 L CA 1.458 56.303 54.840 0.009 0.000 0.749 394 L CB -0.442 41.621 42.059 0.007 0.000 0.890 394 L HN 0.036 nan 8.230 nan 0.000 0.431 395 I N -0.066 120.510 120.570 0.009 0.000 2.194 395 I HA -0.334 3.836 4.170 0.000 0.000 0.246 395 I C 2.645 178.768 176.117 0.010 0.000 1.093 395 I CA 1.564 62.869 61.300 0.009 0.000 1.355 395 I CB -1.762 36.242 38.000 0.007 0.000 1.046 395 I HN 0.432 nan 8.210 nan 0.000 0.413 396 A N 1.228 124.053 122.820 0.008 0.000 1.855 396 A HA -0.068 4.252 4.320 0.000 0.000 0.215 396 A C 2.557 180.147 177.584 0.011 0.000 1.191 396 A CA 1.791 53.833 52.037 0.008 0.000 0.613 396 A CB -1.436 17.568 19.000 0.007 0.000 0.829 396 A HN 0.413 nan 8.150 nan 0.000 0.442 397 G N -0.028 108.779 108.800 0.012 0.000 2.505 397 G HA2 -0.266 3.694 3.960 0.000 0.000 0.220 397 G HA3 -0.266 3.694 3.960 0.000 0.000 0.220 397 G C 1.549 176.460 174.900 0.018 0.000 1.145 397 G CA 1.294 46.402 45.100 0.014 0.000 0.761 397 G HN 0.444 nan 8.290 nan 0.000 0.571 398 L N 0.065 121.299 121.223 0.019 0.000 2.109 398 L HA -0.008 4.332 4.340 0.000 0.000 0.207 398 L C 2.546 179.429 176.870 0.022 0.000 1.086 398 L CA 1.015 55.869 54.840 0.023 0.000 0.760 398 L CB -0.364 41.710 42.059 0.024 0.000 0.910 398 L HN 0.122 nan 8.230 nan 0.000 0.437 399 D N 0.526 120.936 120.400 0.017 0.000 2.117 399 D HA -0.172 4.468 4.640 0.000 0.000 0.197 399 D C 2.189 178.498 176.300 0.015 0.000 0.987 399 D CA 1.587 55.596 54.000 0.015 0.000 0.829 399 D CB 0.111 40.917 40.800 0.011 0.000 0.961 399 D HN 0.312 nan 8.370 nan 0.000 0.460 400 A N 0.660 123.489 122.820 0.015 0.000 2.070 400 A HA -0.103 4.217 4.320 0.000 0.000 0.220 400 A C 2.182 179.777 177.584 0.018 0.000 1.159 400 A CA 0.775 52.821 52.037 0.015 0.000 0.656 400 A CB -0.522 18.486 19.000 0.014 0.000 0.800 400 A HN 0.227 nan 8.150 nan 0.000 0.453 401 L N -1.436 119.800 121.223 0.022 0.000 2.592 401 L HA 0.237 4.578 4.340 0.000 0.000 0.227 401 L C 1.553 178.439 176.870 0.027 0.000 1.127 401 L CA 0.445 55.301 54.840 0.026 0.000 0.884 401 L CB -0.144 41.934 42.059 0.032 0.000 1.065 401 L HN 0.538 nan 8.230 nan 0.000 0.457 402 G N 0.819 109.632 108.800 0.022 0.000 2.136 402 G HA2 -0.270 3.691 3.960 0.000 0.000 0.242 402 G HA3 -0.270 3.691 3.960 0.000 0.000 0.242 402 G C 0.077 174.992 174.900 0.025 0.000 0.989 402 G CA -0.234 44.879 45.100 0.021 0.000 0.682 402 G HN 0.251 nan 8.290 nan 0.000 0.522 403 L N 1.044 122.284 121.223 0.029 0.000 2.283 403 L HA 0.414 4.754 4.340 0.000 0.000 0.281 403 L C 0.462 177.349 176.870 0.028 0.000 1.033 403 L CA -0.518 54.343 54.840 0.035 0.000 0.848 403 L CB 1.151 43.237 42.059 0.046 0.000 1.226 403 L HN 0.198 nan 8.230 nan 0.000 0.429 404 Q N 0.940 120.754 119.800 0.024 0.000 2.256 404 Q HA 0.165 4.505 4.340 0.000 0.000 0.254 404 Q C 0.912 176.920 176.000 0.014 0.000 0.916 404 Q CA -0.300 55.513 55.803 0.015 0.000 0.932 404 Q CB 1.892 30.635 28.738 0.009 0.000 1.207 404 Q HN 0.711 nan 8.270 nan 0.000 0.426 405 S N 2.498 118.204 115.700 0.010 0.000 2.528 405 S HA 0.059 4.529 4.470 0.000 0.000 0.219 405 S C 0.733 175.329 174.600 -0.008 0.000 0.985 405 S CA 0.054 58.258 58.200 0.007 0.000 0.914 405 S CB 0.289 63.495 63.200 0.009 0.000 0.776 405 S HN 0.503 nan 8.310 nan 0.000 0.526 406 R N 2.426 122.916 120.500 -0.016 0.000 2.651 406 R HA 0.396 4.737 4.340 0.000 0.000 0.282 406 R C -2.771 173.501 176.300 -0.047 0.000 1.565 406 R CA -1.541 54.536 56.100 -0.037 0.000 1.661 406 R CB 1.155 31.434 30.300 -0.035 0.000 1.189 406 R HN 0.423 nan 8.270 nan 0.000 0.621 407 P HA 0.084 nan 4.420 nan 0.000 0.276 407 P C -0.130 177.103 177.300 -0.110 0.000 1.252 407 P CA -0.358 62.713 63.100 -0.048 0.000 0.802 407 P CB 1.090 32.776 31.700 -0.023 0.000 1.035 408 S N -0.080 115.574 115.700 -0.077 0.000 2.593 408 S HA 0.036 4.506 4.470 0.000 0.000 0.269 408 S C 1.417 175.905 174.600 -0.185 0.000 1.334 408 S CA -0.213 57.904 58.200 -0.140 0.000 1.015 408 S CB -0.176 63.059 63.200 0.058 0.000 0.912 408 S HN 0.406 nan 8.310 nan 0.000 0.541 409 H N 0.995 119.916 119.070 -0.248 0.000 2.321 409 H HA -0.149 4.407 4.556 0.000 0.000 0.295 409 H C 1.666 176.790 175.328 -0.339 0.000 1.102 409 H CA 2.401 58.207 56.048 -0.403 0.000 1.266 409 H CB -0.482 28.864 29.762 -0.693 0.000 1.363 409 H HN 0.818 nan 8.280 nan 0.000 0.492 410 W N 1.139 122.496 121.300 0.095 0.000 2.354 410 W HA -0.108 4.552 4.660 0.000 0.000 0.315 410 W C 2.996 179.530 176.519 0.024 0.000 1.206 410 W CA 0.780 58.152 57.345 0.044 0.000 1.290 410 W CB -0.382 29.097 29.460 0.032 0.000 1.152 410 W HN 0.042 nan 8.180 nan 0.000 0.489 411 R N 1.146 121.788 120.500 0.237 0.000 2.096 411 R HA -0.172 4.168 4.340 0.000 0.000 0.235 411 R C 2.320 178.668 176.300 0.080 0.000 1.127 411 R CA 1.813 57.990 56.100 0.129 0.000 0.968 411 R CB -0.397 29.954 30.300 0.085 0.000 0.861 411 R HN 0.150 nan 8.270 nan 0.000 0.440 412 R N 0.033 120.559 120.500 0.043 0.000 2.092 412 R HA -0.026 4.314 4.340 0.000 0.000 0.231 412 R C 0.781 177.095 176.300 0.024 0.000 1.119 412 R CA 1.646 57.755 56.100 0.015 0.000 0.970 412 R CB 0.060 30.343 30.300 -0.029 0.000 0.864 412 R HN 0.256 nan 8.270 nan 0.000 0.440 413 N N 0.307 119.025 118.700 0.029 0.000 2.238 413 N HA 0.057 4.797 4.740 0.000 0.000 0.222 413 N C -0.692 174.865 175.510 0.077 0.000 1.133 413 N CA -0.039 53.025 53.050 0.022 0.000 0.854 413 N CB 0.924 39.387 38.487 -0.040 0.000 1.041 413 N HN 0.212 nan 8.380 nan 0.000 0.510 414 L N 0.982 122.270 121.223 0.108 0.000 2.307 414 L HA 0.512 4.853 4.340 0.000 0.000 0.284 414 L C -0.774 176.157 176.870 0.103 0.000 1.023 414 L CA -0.374 54.538 54.840 0.121 0.000 0.810 414 L CB 1.103 43.245 42.059 0.138 0.000 1.231 414 L HN -0.189 nan 8.230 nan 0.000 0.423 415 M N 4.435 124.094 119.600 0.098 0.000 2.662 415 M HA 0.797 5.277 4.480 0.000 0.000 0.310 415 M C -0.821 175.514 176.300 0.059 0.000 1.204 415 M CA -0.678 54.669 55.300 0.078 0.000 0.891 415 M CB 2.288 34.938 32.600 0.082 0.000 1.732 415 M HN 0.698 nan 8.290 nan 0.000 0.467 416 A N 0.590 123.435 122.820 0.041 0.000 2.587 416 A HA 0.777 5.097 4.320 0.000 0.000 0.293 416 A C -0.614 176.986 177.584 0.026 0.000 1.087 416 A CA -0.818 51.239 52.037 0.034 0.000 0.692 416 A CB 0.821 19.836 19.000 0.025 0.000 1.291 416 A HN 1.123 nan 8.150 nan 0.000 0.407 417 C N -0.505 118.812 119.300 0.029 0.000 2.590 417 C HA 0.725 5.185 4.460 0.000 0.000 0.354 417 C C 1.836 176.842 174.990 0.026 0.000 1.622 417 C CA 0.388 59.418 59.018 0.019 0.000 2.050 417 C CB 0.378 28.127 27.740 0.016 0.000 1.960 417 C HN 0.830 nan 8.230 nan 0.000 0.550 418 S N 0.262 115.977 115.700 0.026 0.000 2.345 418 S HA 0.355 4.825 4.470 0.000 0.000 0.220 418 S C 1.318 175.922 174.600 0.006 0.000 1.031 418 S CA 1.537 59.761 58.200 0.040 0.000 0.996 418 S CB -1.251 61.989 63.200 0.067 0.000 0.882 418 S HN 2.016 nan 8.310 nan 0.000 0.445 419 G N 0.833 109.632 108.800 -0.001 0.000 2.698 419 G HA2 -0.271 3.689 3.960 0.000 0.000 0.233 419 G HA3 -0.271 3.689 3.960 0.000 0.000 0.233 419 G C 0.458 175.322 174.900 -0.060 0.000 1.352 419 G CA -0.049 45.042 45.100 -0.015 0.000 0.879 419 G HN 0.409 nan 8.290 nan 0.000 0.567 420 I N 0.726 121.255 120.570 -0.068 0.000 2.916 420 I HA -0.035 4.135 4.170 0.000 0.000 0.267 420 I C 2.446 178.466 176.117 -0.161 0.000 1.263 420 I CA 1.959 63.204 61.300 -0.091 0.000 1.471 420 I CB -0.179 37.787 38.000 -0.057 0.000 1.089 420 I HN 0.766 nan 8.210 nan 0.000 0.468 421 E N 0.559 120.611 120.200 -0.246 0.000 2.171 421 E HA -0.261 4.089 4.350 0.000 0.000 0.197 421 E C 0.990 177.114 176.600 -0.793 0.000 0.997 421 E CA 1.718 57.807 56.400 -0.518 0.000 0.810 421 E CB 0.093 29.443 29.700 -0.583 0.000 0.738 421 E HN 0.548 nan 8.360 nan 0.000 0.467 422 F N -1.446 118.356 119.950 -0.247 0.000 2.953 422 F HA 0.210 4.737 4.527 0.000 0.000 0.382 422 F C 0.367 176.062 175.800 -0.176 0.000 0.965 422 F CA -0.693 57.112 58.000 -0.325 0.000 1.081 422 F CB 0.237 38.833 39.000 -0.673 0.000 1.132 422 F HN -0.033 nan 8.300 nan 0.000 0.567 423 C N 2.426 121.742 119.300 0.025 0.000 2.369 423 C HA 0.312 4.772 4.460 0.000 0.000 0.358 423 C C 1.591 176.558 174.990 -0.039 0.000 1.274 423 C CA -0.333 58.685 59.018 0.000 0.000 1.935 423 C CB 0.203 27.925 27.740 -0.030 0.000 2.431 423 C HN 0.452 nan 8.230 nan 0.000 0.545 424 K N 3.656 124.039 120.400 -0.028 0.000 2.486 424 K HA 0.058 4.378 4.320 0.000 0.000 0.194 424 K C 0.789 177.329 176.600 -0.099 0.000 1.033 424 K CA 1.012 57.273 56.287 -0.043 0.000 1.004 424 K CB 0.078 32.574 32.500 -0.007 0.000 0.798 424 K HN 0.712 nan 8.250 nan 0.000 0.495 425 L N 0.310 121.447 121.223 -0.144 0.000 2.766 425 L HA 0.136 4.476 4.340 0.000 0.000 0.242 425 L C 0.169 176.749 176.870 -0.483 0.000 1.136 425 L CA -0.347 54.343 54.840 -0.249 0.000 0.933 425 L CB 0.419 42.388 42.059 -0.150 0.000 1.241 425 L HN -0.051 nan 8.230 nan 0.000 0.522 426 S N -0.744 114.724 115.700 -0.385 0.000 2.632 426 S HA 0.453 4.923 4.470 0.000 0.000 0.271 426 S C 0.160 174.448 174.600 -0.521 0.000 1.260 426 S CA -0.516 57.443 58.200 -0.401 0.000 1.010 426 S CB 0.991 64.099 63.200 -0.152 0.000 0.965 426 S HN 0.061 nan 8.310 nan 0.000 0.534 427 F N 0.066 119.998 119.950 -0.031 0.000 2.720 427 F HA 0.591 5.118 4.527 0.000 0.000 0.301 427 F C 1.049 176.785 175.800 -0.106 0.000 1.103 427 F CA 0.041 58.005 58.000 -0.060 0.000 1.291 427 F CB 0.006 38.955 39.000 -0.086 0.000 1.086 427 F HN 0.787 nan 8.300 nan 0.000 0.592 428 A N -0.342 122.486 122.820 0.014 0.000 2.594 428 A HA 0.664 4.984 4.320 0.000 0.000 0.291 428 A C -1.254 176.348 177.584 0.029 0.000 1.105 428 A CA -0.629 51.385 52.037 -0.039 0.000 0.694 428 A CB 1.238 20.088 19.000 -0.251 0.000 1.291 428 A HN -0.082 nan 8.150 nan 0.000 0.410 429 E N 0.057 120.288 120.200 0.051 0.000 2.249 429 E HA 0.590 4.940 4.350 0.000 0.000 0.280 429 E C 0.670 177.339 176.600 0.114 0.000 1.016 429 E CA 0.461 56.888 56.400 0.044 0.000 0.830 429 E CB 1.119 30.823 29.700 0.006 0.000 1.081 429 E HN 0.753 nan 8.360 nan 0.000 0.395 430 T N 1.517 116.112 114.554 0.069 0.000 3.280 430 T HA 0.180 4.530 4.350 0.000 0.000 0.256 430 T C 1.674 176.391 174.700 0.029 0.000 0.995 430 T CA 0.002 62.144 62.100 0.069 0.000 1.144 430 T CB -0.334 68.584 68.868 0.083 0.000 1.140 430 T HN 0.346 nan 8.240 nan 0.000 0.423 431 R N 0.809 121.319 120.500 0.017 0.000 2.092 431 R HA 0.055 4.395 4.340 0.000 0.000 0.231 431 R C 2.228 178.536 176.300 0.015 0.000 1.119 431 R CA 1.355 57.465 56.100 0.016 0.000 0.970 431 R CB -0.404 29.910 30.300 0.023 0.000 0.864 431 R HN 0.352 nan 8.270 nan 0.000 0.440 432 V N 0.100 120.025 119.914 0.019 0.000 2.488 432 V HA -0.113 4.007 4.120 0.000 0.000 0.246 432 V C 2.259 178.431 176.094 0.129 0.000 1.046 432 V CA 1.534 63.871 62.300 0.062 0.000 1.053 432 V CB -0.497 31.360 31.823 0.057 0.000 0.679 432 V HN 0.245 nan 8.190 nan 0.000 0.458 433 R N 1.445 121.998 120.500 0.089 0.000 2.083 433 R HA -0.162 4.178 4.340 0.000 0.000 0.237 433 R C 2.201 178.534 176.300 0.055 0.000 1.137 433 R CA 1.945 58.099 56.100 0.089 0.000 0.951 433 R CB -0.896 29.427 30.300 0.038 0.000 0.851 433 R HN 0.448 nan 8.270 nan 0.000 0.434 434 A N 0.213 123.037 122.820 0.007 0.000 1.978 434 A HA -0.193 4.127 4.320 0.000 0.000 0.220 434 A C 1.880 179.433 177.584 -0.051 0.000 1.170 434 A CA 1.503 53.529 52.037 -0.018 0.000 0.636 434 A CB -0.450 18.545 19.000 -0.008 0.000 0.810 434 A HN 0.405 nan 8.150 nan 0.000 0.448 435 Q N -0.624 119.110 119.800 -0.109 0.000 2.167 435 Q HA -0.165 4.176 4.340 0.000 0.000 0.202 435 Q C 1.353 177.077 176.000 -0.460 0.000 0.970 435 Q CA 1.921 57.545 55.803 -0.298 0.000 0.855 435 Q CB -0.469 28.020 28.738 -0.414 0.000 0.911 435 Q HN 0.949 nan 8.270 nan 0.000 0.438 436 H N -1.096 117.965 119.070 -0.015 0.000 2.654 436 H HA 0.093 4.650 4.556 0.000 0.000 0.264 436 H C 1.576 176.882 175.328 -0.038 0.000 0.954 436 H CA -0.047 55.987 56.048 -0.022 0.000 1.199 436 H CB 0.362 30.110 29.762 -0.023 0.000 1.446 436 H HN 0.026 nan 8.280 nan 0.000 0.516 437 L N 0.265 121.505 121.223 0.027 0.000 2.095 437 L HA -0.051 4.290 4.340 0.000 0.000 0.204 437 L C 1.856 178.691 176.870 -0.058 0.000 1.080 437 L CA 1.063 55.885 54.840 -0.029 0.000 0.759 437 L CB -0.466 41.560 42.059 -0.055 0.000 0.914 437 L HN 0.065 nan 8.230 nan 0.000 0.439 438 V N 0.975 120.871 119.914 -0.030 0.000 2.219 438 V HA -0.243 3.877 4.120 0.000 0.000 0.248 438 V C -0.021 176.062 176.094 -0.018 0.000 1.053 438 V CA 2.572 64.874 62.300 0.004 0.000 1.009 438 V CB -1.944 29.905 31.823 0.044 0.000 0.636 438 V HN 0.348 nan 8.190 nan 0.000 0.445 439 P HA -0.205 nan 4.420 nan 0.000 0.215 439 P C 1.691 178.967 177.300 -0.038 0.000 1.157 439 P CA 1.768 64.863 63.100 -0.009 0.000 0.874 439 P CB -0.060 31.640 31.700 0.001 0.000 0.790 440 E N -0.180 119.991 120.200 -0.049 0.000 2.048 440 E HA -0.218 4.132 4.350 0.000 0.000 0.202 440 E C 1.988 178.494 176.600 -0.156 0.000 1.021 440 E CA 1.461 57.815 56.400 -0.075 0.000 0.825 440 E CB -0.666 28.994 29.700 -0.067 0.000 0.756 440 E HN 0.119 nan 8.360 nan 0.000 0.454 441 L N 0.416 121.475 121.223 -0.273 0.000 2.042 441 L HA -0.219 4.121 4.340 0.000 0.000 0.210 441 L C 2.586 179.160 176.870 -0.493 0.000 1.076 441 L CA 1.514 56.015 54.840 -0.565 0.000 0.749 441 L CB -0.524 40.936 42.059 -0.999 0.000 0.893 441 L HN 0.224 nan 8.230 nan 0.000 0.432 442 E N 0.095 120.160 120.200 -0.226 0.000 2.049 442 E HA -0.251 4.100 4.350 0.000 0.000 0.198 442 E C 2.295 178.918 176.600 0.039 0.000 1.007 442 E CA 1.707 58.139 56.400 0.053 0.000 0.809 442 E CB -0.053 29.712 29.700 0.109 0.000 0.749 442 E HN 0.537 nan 8.360 nan 0.000 0.450 443 R N 0.256 120.751 120.500 -0.009 0.000 2.140 443 R HA 0.101 4.441 4.340 0.000 0.000 0.213 443 R C 2.206 178.499 176.300 -0.011 0.000 1.059 443 R CA 0.329 56.432 56.100 0.005 0.000 1.000 443 R CB -0.253 30.049 30.300 0.004 0.000 0.910 443 R HN -0.027 nan 8.270 nan 0.000 0.455 444 R N 1.115 121.582 120.500 -0.055 0.000 2.152 444 R HA 0.042 4.382 4.340 0.000 0.000 0.232 444 R C 1.043 177.320 176.300 -0.037 0.000 1.117 444 R CA 1.033 57.098 56.100 -0.058 0.000 0.981 444 R CB 0.055 30.295 30.300 -0.100 0.000 0.870 444 R HN 0.264 nan 8.270 nan 0.000 0.451 445 L N -0.012 121.196 121.223 -0.026 0.000 3.122 445 L HA 0.156 4.496 4.340 0.000 0.000 0.274 445 L C 1.694 178.647 176.870 0.138 0.000 1.222 445 L CA -0.211 54.663 54.840 0.058 0.000 1.028 445 L CB 0.622 42.726 42.059 0.076 0.000 1.386 445 L HN -0.035 nan 8.230 nan 0.000 0.578 446 E N 1.223 121.483 120.200 0.101 0.000 2.051 446 E HA -0.283 4.067 4.350 0.000 0.000 0.192 446 E C 1.408 178.058 176.600 0.084 0.000 0.991 446 E CA 1.504 57.968 56.400 0.107 0.000 0.799 446 E CB 0.145 29.887 29.700 0.070 0.000 0.748 446 E HN 0.488 nan 8.360 nan 0.000 0.449 447 D N 0.362 120.797 120.400 0.058 0.000 4.047 447 D HA -0.257 4.383 4.640 0.000 0.000 0.199 447 D C 1.691 178.021 176.300 0.050 0.000 1.319 447 D CA 2.005 56.032 54.000 0.045 0.000 0.865 447 D CB -0.320 40.502 40.800 0.036 0.000 0.911 447 D HN 0.290 nan 8.370 nan 0.000 0.579 448 I N -0.032 120.584 120.570 0.076 0.000 4.070 448 I HA 0.068 4.238 4.170 0.000 0.000 0.328 448 I C 1.671 177.839 176.117 0.084 0.000 1.298 448 I CA 0.140 61.482 61.300 0.071 0.000 1.173 448 I CB -0.154 37.898 38.000 0.085 0.000 1.051 448 I HN 0.033 nan 8.210 nan 0.000 0.409 449 N N 0.722 119.494 118.700 0.120 0.000 2.132 449 N HA -0.291 4.449 4.740 0.000 0.000 0.191 449 N C 2.090 177.648 175.510 0.079 0.000 1.015 449 N CA 1.992 55.121 53.050 0.132 0.000 0.864 449 N CB -0.046 38.532 38.487 0.150 0.000 1.006 449 N HN 0.398 nan 8.380 nan 0.000 0.430 450 S N -0.576 115.155 115.700 0.052 0.000 2.400 450 S HA -0.298 4.173 4.470 0.000 0.000 0.234 450 S C 1.750 176.356 174.600 0.009 0.000 1.049 450 S CA 1.576 59.792 58.200 0.027 0.000 1.039 450 S CB -0.644 62.565 63.200 0.014 0.000 0.856 450 S HN 0.542 nan 8.310 nan 0.000 0.465 451 Q N 0.469 120.268 119.800 -0.001 0.000 2.425 451 Q HA 0.389 4.729 4.340 0.000 0.000 0.204 451 Q C 0.283 176.256 176.000 -0.045 0.000 0.933 451 Q CA 0.253 56.038 55.803 -0.031 0.000 0.939 451 Q CB -0.081 28.626 28.738 -0.051 0.000 1.044 451 Q HN 0.547 nan 8.270 nan 0.000 0.513 452 L N 2.296 123.492 121.223 -0.044 0.000 2.466 452 L HA 0.089 4.429 4.340 0.000 0.000 0.248 452 L C -0.143 176.594 176.870 -0.222 0.000 1.240 452 L CA -0.488 54.270 54.840 -0.136 0.000 1.180 452 L CB 0.181 42.117 42.059 -0.205 0.000 1.413 452 L HN 0.198 nan 8.230 nan 0.000 0.406 453 D N -0.518 119.805 120.400 -0.128 0.000 2.378 453 D HA -0.060 4.580 4.640 0.000 0.000 0.222 453 D C 0.549 176.741 176.300 -0.180 0.000 0.980 453 D CA 0.482 54.412 54.000 -0.117 0.000 0.907 453 D CB 0.181 40.940 40.800 -0.067 0.000 0.899 453 D HN 0.164 nan 8.370 nan 0.000 0.527 454 V N 0.660 120.441 119.914 -0.222 0.000 2.531 454 V HA 0.384 4.505 4.120 0.000 0.000 0.301 454 V C -2.547 173.327 176.094 -0.367 0.000 1.034 454 V CA -2.231 59.930 62.300 -0.232 0.000 0.865 454 V CB 2.332 34.106 31.823 -0.082 0.000 0.995 454 V HN -0.122 nan 8.190 nan 0.000 0.424 455 P HA 0.418 nan 4.420 nan 0.000 0.276 455 P C -1.002 176.099 177.300 -0.331 0.000 1.230 455 P CA -0.137 62.712 63.100 -0.419 0.000 0.776 455 P CB 0.529 32.074 31.700 -0.258 0.000 0.888 456 I N 2.403 122.724 120.570 -0.414 0.000 2.306 456 I HA 0.179 4.349 4.170 0.000 0.000 0.288 456 I C 0.827 176.819 176.117 -0.208 0.000 1.036 456 I CA -0.170 60.905 61.300 -0.374 0.000 1.221 456 I CB 0.475 38.169 38.000 -0.509 0.000 1.385 456 I HN 0.285 nan 8.210 nan 0.000 0.472 457 T N 3.330 117.811 114.554 -0.121 0.000 2.901 457 T HA 0.555 4.905 4.350 0.000 0.000 0.301 457 T C -0.098 174.614 174.700 0.019 0.000 1.012 457 T CA -0.569 61.517 62.100 -0.024 0.000 1.135 457 T CB 1.055 69.930 68.868 0.011 0.000 0.936 457 T HN 0.212 nan 8.240 nan 0.000 0.539 458 V N 3.696 123.660 119.914 0.083 0.000 2.525 458 V HA 0.451 4.571 4.120 0.000 0.000 0.299 458 V C -0.976 175.195 176.094 0.129 0.000 1.034 458 V CA -1.031 61.346 62.300 0.128 0.000 0.863 458 V CB 1.720 33.675 31.823 0.220 0.000 0.999 458 V HN 0.912 nan 8.190 nan 0.000 0.423 459 N N 4.907 123.674 118.700 0.112 0.000 2.399 459 N HA 0.606 5.346 4.740 0.000 0.000 0.280 459 N C -0.899 174.691 175.510 0.134 0.000 1.008 459 N CA -0.339 52.770 53.050 0.098 0.000 0.894 459 N CB 2.297 40.819 38.487 0.058 0.000 1.273 459 N HN 0.549 nan 8.380 nan 0.000 0.486 460 I N 1.909 122.540 120.570 0.102 0.000 2.328 460 I HA 0.296 4.466 4.170 0.000 0.000 0.287 460 I C -0.239 175.925 176.117 0.079 0.000 1.012 460 I CA -0.522 60.810 61.300 0.054 0.000 1.195 460 I CB 0.657 38.608 38.000 -0.081 0.000 1.350 460 I HN 0.206 nan 8.210 nan 0.000 0.464 461 N N 4.320 123.108 118.700 0.147 0.000 2.362 461 N HA 0.263 5.003 4.740 0.000 0.000 0.298 461 N C 0.784 176.452 175.510 0.264 0.000 1.048 461 N CA -0.353 52.788 53.050 0.152 0.000 0.858 461 N CB 2.628 41.170 38.487 0.092 0.000 1.218 461 N HN 0.751 nan 8.380 nan 0.000 0.488 462 G N -0.026 108.878 108.800 0.173 0.000 2.813 462 G HA2 0.095 4.055 3.960 0.000 0.000 0.209 462 G HA3 0.095 4.055 3.960 0.000 0.000 0.209 462 G C 0.551 175.519 174.900 0.114 0.000 1.150 462 G CA 0.309 45.499 45.100 0.150 0.000 0.785 462 G HN 0.727 nan 8.290 nan 0.000 0.535 463 C N -3.774 115.602 119.300 0.126 0.000 3.259 463 C HA 0.581 5.041 4.460 0.000 0.000 0.344 463 C C -2.398 172.672 174.990 0.134 0.000 1.401 463 C CA -1.014 58.105 59.018 0.167 0.000 1.219 463 C CB 1.272 28.994 27.740 -0.030 0.000 1.521 463 C HN -0.016 nan 8.230 nan 0.000 0.455 464 P HA 0.059 nan 4.420 nan 0.000 0.237 464 P C 1.001 178.325 177.300 0.041 0.000 1.178 464 P CA 1.091 64.246 63.100 0.091 0.000 0.766 464 P CB -0.089 31.677 31.700 0.110 0.000 0.876 465 N N -0.338 118.382 118.700 0.033 0.000 2.348 465 N HA -0.115 4.625 4.740 0.000 0.000 0.185 465 N C 0.651 176.150 175.510 -0.018 0.000 1.019 465 N CA 1.074 54.127 53.050 0.006 0.000 0.880 465 N CB -0.758 37.727 38.487 -0.004 0.000 0.965 465 N HN -0.012 nan 8.380 nan 0.000 0.437 466 S N -1.401 114.288 115.700 -0.019 0.000 3.749 466 S HA -0.186 4.284 4.470 0.000 0.000 0.348 466 S C 1.196 175.771 174.600 -0.041 0.000 1.045 466 S CA 0.297 58.474 58.200 -0.039 0.000 1.051 466 S CB -1.846 61.313 63.200 -0.068 0.000 0.898 466 S HN 0.509 nan 8.310 nan 0.000 0.472 467 C N 0.280 119.560 119.300 -0.033 0.000 2.419 467 C HA 0.169 4.629 4.460 0.000 0.000 0.281 467 C C 2.369 177.334 174.990 -0.041 0.000 1.336 467 C CA 0.865 59.857 59.018 -0.044 0.000 1.770 467 C CB -1.407 26.307 27.740 -0.044 0.000 1.929 467 C HN 0.975 nan 8.230 nan 0.000 0.509 468 A N -0.565 122.242 122.820 -0.022 0.000 2.610 468 A HA 0.513 4.834 4.320 0.000 0.000 0.286 468 A C 0.525 178.103 177.584 -0.010 0.000 1.306 468 A CA -0.322 51.708 52.037 -0.012 0.000 0.942 468 A CB -0.303 18.704 19.000 0.013 0.000 1.112 468 A HN 0.535 nan 8.150 nan 0.000 0.527 469 R N -0.908 119.575 120.500 -0.029 0.000 2.994 469 R HA -0.165 4.175 4.340 0.000 0.000 0.267 469 R C 0.440 176.727 176.300 -0.022 0.000 0.914 469 R CA 0.541 56.626 56.100 -0.025 0.000 0.668 469 R CB -2.336 27.955 30.300 -0.015 0.000 1.524 469 R HN 0.643 nan 8.270 nan 0.000 0.478 470 I N 0.539 121.068 120.570 -0.068 0.000 2.252 470 I HA -0.298 3.872 4.170 0.000 0.000 0.245 470 I C 1.862 177.917 176.117 -0.103 0.000 1.102 470 I CA 1.398 62.614 61.300 -0.140 0.000 1.385 470 I CB -0.069 37.742 38.000 -0.313 0.000 1.064 470 I HN 0.436 nan 8.210 nan 0.000 0.414 471 Q N 0.535 120.312 119.800 -0.038 0.000 2.444 471 Q HA 0.119 4.460 4.340 0.000 0.000 0.206 471 Q C 1.126 177.244 176.000 0.196 0.000 0.948 471 Q CA 0.605 56.475 55.803 0.113 0.000 0.946 471 Q CB 0.081 28.844 28.738 0.043 0.000 1.027 471 Q HN 0.720 nan 8.270 nan 0.000 0.513 472 I N -4.129 116.517 120.570 0.127 0.000 3.569 472 I HA 0.676 4.846 4.170 0.000 0.000 0.334 472 I C -0.200 175.983 176.117 0.111 0.000 1.570 472 I CA -0.882 60.490 61.300 0.120 0.000 1.082 472 I CB 0.456 38.517 38.000 0.102 0.000 1.323 472 I HN -0.157 nan 8.210 nan 0.000 0.489 473 A N 0.409 123.289 122.820 0.101 0.000 2.354 473 A HA 0.529 4.849 4.320 0.000 0.000 0.321 473 A C 0.268 177.922 177.584 0.115 0.000 1.125 473 A CA -0.458 51.633 52.037 0.091 0.000 0.799 473 A CB 1.207 20.239 19.000 0.052 0.000 1.293 473 A HN 0.238 nan 8.150 nan 0.000 0.452 474 D N 0.192 120.656 120.400 0.106 0.000 2.097 474 D HA -0.051 4.589 4.640 0.000 0.000 0.195 474 D C 0.233 176.643 176.300 0.184 0.000 0.989 474 D CA 1.898 56.006 54.000 0.180 0.000 0.827 474 D CB 0.005 40.827 40.800 0.037 0.000 0.966 474 D HN 0.508 nan 8.370 nan 0.000 0.456 475 I N 0.589 121.176 120.570 0.028 0.000 2.466 475 I HA 0.354 4.524 4.170 0.000 0.000 0.279 475 I C 0.333 176.305 176.117 -0.242 0.000 1.033 475 I CA -0.692 60.567 61.300 -0.068 0.000 1.123 475 I CB 2.039 40.006 38.000 -0.055 0.000 1.237 475 I HN -0.219 nan 8.210 nan 0.000 0.460 476 G N 5.206 113.855 108.800 -0.252 0.000 2.371 476 G HA2 0.698 4.658 3.960 0.000 0.000 0.326 476 G HA3 0.698 4.658 3.960 0.000 0.000 0.326 476 G C -1.199 173.427 174.900 -0.456 0.000 1.127 476 G CA -0.242 44.711 45.100 -0.244 0.000 0.885 476 G HN 0.294 nan 8.290 nan 0.000 0.477 477 F N 0.465 120.384 119.950 -0.052 0.000 2.467 477 F HA 0.457 4.984 4.527 0.000 0.000 0.336 477 F C 0.468 176.309 175.800 0.067 0.000 1.123 477 F CA -0.875 57.102 58.000 -0.039 0.000 0.964 477 F CB 2.739 41.530 39.000 -0.349 0.000 1.136 477 F HN 0.294 nan 8.300 nan 0.000 0.447 478 K N 2.776 123.368 120.400 0.319 0.000 2.389 478 K HA 0.550 4.870 4.320 0.000 0.000 0.261 478 K C 0.173 176.989 176.600 0.359 0.000 1.014 478 K CA -0.447 55.988 56.287 0.245 0.000 0.920 478 K CB 0.832 33.390 32.500 0.096 0.000 1.149 478 K HN 0.836 nan 8.250 nan 0.000 0.444 479 G N 3.604 112.637 108.800 0.389 0.000 2.380 479 G HA2 0.107 4.067 3.960 0.000 0.000 0.242 479 G HA3 0.107 4.067 3.960 0.000 0.000 0.242 479 G C -0.716 174.224 174.900 0.066 0.000 1.298 479 G CA -0.015 45.108 45.100 0.038 0.000 0.878 479 G HN 0.766 nan 8.290 nan 0.000 0.542 480 Q N 0.946 120.666 119.800 -0.134 0.000 2.630 480 Q HA 0.509 4.849 4.340 0.000 0.000 0.295 480 Q C -0.862 174.952 176.000 -0.310 0.000 0.944 480 Q CA -1.260 54.383 55.803 -0.267 0.000 0.766 480 Q CB 1.107 29.713 28.738 -0.221 0.000 1.471 480 Q HN 0.338 nan 8.270 nan 0.000 0.416 481 M N 2.294 121.633 119.600 -0.435 0.000 2.211 481 M HA 0.481 4.961 4.480 0.000 0.000 0.356 481 M C -0.044 176.138 176.300 -0.197 0.000 1.216 481 M CA -0.184 54.957 55.300 -0.264 0.000 1.134 481 M CB 0.084 32.526 32.600 -0.264 0.000 1.564 481 M HN 0.786 nan 8.290 nan 0.000 0.463 482 I N -1.146 119.342 120.570 -0.136 0.000 3.322 482 I HA 0.779 4.949 4.170 0.000 0.000 0.313 482 I C -1.261 174.820 176.117 -0.061 0.000 1.129 482 I CA -0.992 60.248 61.300 -0.099 0.000 0.963 482 I CB 2.586 40.528 38.000 -0.097 0.000 1.273 482 I HN 0.435 nan 8.210 nan 0.000 0.473 483 D N 0.807 121.184 120.400 -0.038 0.000 2.646 483 D HA 0.560 5.200 4.640 0.000 0.000 0.245 483 D C -2.033 174.268 176.300 0.001 0.000 1.099 483 D CA -0.094 53.905 54.000 -0.002 0.000 0.849 483 D CB 1.739 42.552 40.800 0.021 0.000 1.448 483 D HN 0.773 nan 8.370 nan 0.000 0.489 484 D N 1.546 121.956 120.400 0.017 0.000 2.934 484 D HA 0.451 5.091 4.640 0.000 0.000 0.230 484 D C 0.953 177.275 176.300 0.036 0.000 1.204 484 D CA -0.580 53.432 54.000 0.019 0.000 0.873 484 D CB 1.149 41.953 40.800 0.006 0.000 1.645 484 D HN 0.616 nan 8.370 nan 0.000 0.502 485 G N 1.231 110.056 108.800 0.041 0.000 2.205 485 G HA2 -0.462 3.498 3.960 0.000 0.000 0.269 485 G HA3 -0.462 3.498 3.960 0.000 0.000 0.269 485 G C 0.850 175.813 174.900 0.104 0.000 0.977 485 G CA 1.147 46.278 45.100 0.052 0.000 0.652 485 G HN 1.186 nan 8.290 nan 0.000 0.539 486 H N -1.536 117.524 119.070 -0.018 0.000 3.857 486 H HA -0.286 4.271 4.556 0.000 0.000 0.214 486 H C 1.784 177.099 175.328 -0.021 0.000 0.983 486 H CA 1.413 57.449 56.048 -0.021 0.000 1.216 486 H CB -1.020 28.730 29.762 -0.019 0.000 1.161 486 H HN 1.099 nan 8.280 nan 0.000 0.327 487 G N 0.027 108.810 108.800 -0.028 0.000 3.609 487 G HA2 0.478 4.438 3.960 0.000 0.000 0.280 487 G HA3 0.478 4.438 3.960 0.000 0.000 0.280 487 G C 0.305 175.176 174.900 -0.048 0.000 1.155 487 G CA 0.553 45.605 45.100 -0.080 0.000 0.876 487 G HN 0.588 nan 8.290 nan 0.000 0.535 488 G N -0.606 108.177 108.800 -0.028 0.000 2.334 488 G HA2 0.389 4.350 3.960 0.000 0.000 0.290 488 G HA3 0.389 4.350 3.960 0.000 0.000 0.290 488 G C -1.211 173.686 174.900 -0.005 0.000 1.310 488 G CA -0.269 44.821 45.100 -0.016 0.000 1.308 488 G HN 0.292 nan 8.290 nan 0.000 0.612 489 S N 1.543 117.234 115.700 -0.016 0.000 2.448 489 S HA 0.715 5.185 4.470 0.000 0.000 0.320 489 S C 0.233 174.816 174.600 -0.029 0.000 1.071 489 S CA -0.450 57.738 58.200 -0.020 0.000 1.113 489 S CB 0.769 63.952 63.200 -0.028 0.000 0.972 489 S HN 0.665 nan 8.310 nan 0.000 0.465 490 V N 4.606 124.496 119.914 -0.040 0.000 3.096 490 V HA 0.520 4.640 4.120 0.000 0.000 0.319 490 V C 0.182 176.231 176.094 -0.075 0.000 1.103 490 V CA -1.170 61.103 62.300 -0.044 0.000 1.016 490 V CB 1.798 33.597 31.823 -0.041 0.000 1.090 490 V HN 0.911 nan 8.190 nan 0.000 0.449 491 E N 1.250 121.402 120.200 -0.081 0.000 2.344 491 E HA 0.565 4.915 4.350 0.000 0.000 0.270 491 E C -0.040 176.418 176.600 -0.237 0.000 1.021 491 E CA -0.011 56.297 56.400 -0.153 0.000 0.887 491 E CB 1.095 30.720 29.700 -0.126 0.000 0.997 491 E HN 0.891 nan 8.360 nan 0.000 0.429 492 G N 2.462 111.027 108.800 -0.391 0.000 2.682 492 G HA2 0.537 4.497 3.960 0.000 0.000 0.303 492 G HA3 0.537 4.497 3.960 0.000 0.000 0.303 492 G C -1.717 172.787 174.900 -0.661 0.000 1.341 492 G CA -1.013 43.840 45.100 -0.412 0.000 0.784 492 G HN 0.434 nan 8.290 nan 0.000 0.497 493 F N -0.012 119.926 119.950 -0.020 0.000 2.569 493 F HA 0.548 5.075 4.527 0.000 0.000 0.312 493 F C 0.215 176.055 175.800 0.066 0.000 1.109 493 F CA -0.684 57.353 58.000 0.062 0.000 0.919 493 F CB 2.700 41.783 39.000 0.139 0.000 1.211 493 F HN 0.407 nan 8.300 nan 0.000 0.446 494 Q N 1.764 121.728 119.800 0.272 0.000 2.230 494 Q HA 0.635 4.976 4.340 0.000 0.000 0.248 494 Q C -1.369 174.813 176.000 0.303 0.000 0.915 494 Q CA -0.618 55.318 55.803 0.222 0.000 0.900 494 Q CB 1.937 30.785 28.738 0.184 0.000 1.229 494 Q HN 0.575 nan 8.270 nan 0.000 0.439 495 V N 4.050 124.113 119.914 0.249 0.000 2.435 495 V HA 0.332 4.452 4.120 0.000 0.000 0.290 495 V C -0.631 175.598 176.094 0.226 0.000 1.030 495 V CA -0.539 61.847 62.300 0.143 0.000 0.881 495 V CB 1.443 33.311 31.823 0.074 0.000 0.983 495 V HN 0.775 nan 8.190 nan 0.000 0.445 496 H N 5.323 124.349 119.070 -0.073 0.000 2.505 496 H HA 0.597 5.153 4.556 0.000 0.000 0.338 496 H C -1.060 174.262 175.328 -0.011 0.000 1.057 496 H CA -0.703 55.333 56.048 -0.020 0.000 1.202 496 H CB 2.137 31.895 29.762 -0.007 0.000 1.466 496 H HN 0.394 nan 8.280 nan 0.000 0.499 497 L N 1.258 122.553 121.223 0.121 0.000 2.341 497 L HA 0.387 4.727 4.340 0.000 0.000 0.278 497 L C 0.909 177.850 176.870 0.118 0.000 1.005 497 L CA -0.330 54.592 54.840 0.135 0.000 0.818 497 L CB 1.947 44.060 42.059 0.090 0.000 1.259 497 L HN 1.057 nan 8.230 nan 0.000 0.418 498 G N 1.834 110.745 108.800 0.186 0.000 2.132 498 G HA2 -0.189 3.771 3.960 0.000 0.000 0.234 498 G HA3 -0.189 3.771 3.960 0.000 0.000 0.234 498 G C 0.415 175.436 174.900 0.201 0.000 0.989 498 G CA -0.141 45.065 45.100 0.176 0.000 0.676 498 G HN 0.999 nan 8.290 nan 0.000 0.522 499 G N 0.070 108.972 108.800 0.170 0.000 2.539 499 G HA2 0.672 4.632 3.960 0.000 0.000 0.258 499 G HA3 0.672 4.632 3.960 0.000 0.000 0.258 499 G C -0.084 174.907 174.900 0.151 0.000 1.202 499 G CA 0.405 45.565 45.100 0.100 0.000 0.851 499 G HN 1.546 nan 8.290 nan 0.000 0.556 500 H N -0.891 118.201 119.070 0.037 0.000 3.005 500 H HA 0.318 4.874 4.556 0.000 0.000 0.311 500 H C -1.398 173.915 175.328 -0.026 0.000 1.366 500 H CA -0.886 55.173 56.048 0.018 0.000 1.210 500 H CB 0.435 30.207 29.762 0.017 0.000 1.894 500 H HN 0.395 nan 8.280 nan 0.000 0.520 501 L N 0.133 121.408 121.223 0.086 0.000 2.805 501 L HA 0.575 4.915 4.340 0.000 0.000 0.242 501 L C 1.505 178.422 176.870 0.079 0.000 1.180 501 L CA 0.077 54.911 54.840 -0.010 0.000 1.001 501 L CB 0.497 42.514 42.059 -0.069 0.000 1.864 501 L HN 1.101 nan 8.230 nan 0.000 0.551 502 G N 0.008 108.802 108.800 -0.009 0.000 2.523 502 G HA2 -0.303 3.658 3.960 0.000 0.000 0.271 502 G HA3 -0.303 3.658 3.960 0.000 0.000 0.271 502 G C -0.704 174.236 174.900 0.066 0.000 1.146 502 G CA 0.037 45.154 45.100 0.027 0.000 0.961 502 G HN 0.440 nan 8.290 nan 0.000 0.549 503 L N 2.696 123.958 121.223 0.065 0.000 2.418 503 L HA 0.449 4.789 4.340 0.000 0.000 0.274 503 L C 0.392 177.337 176.870 0.126 0.000 1.135 503 L CA 1.021 55.899 54.840 0.064 0.000 0.870 503 L CB -0.337 41.725 42.059 0.005 0.000 1.154 503 L HN 0.675 nan 8.230 nan 0.000 0.462 504 D N 3.353 123.811 120.400 0.096 0.000 2.737 504 D HA -0.217 4.423 4.640 0.000 0.000 0.238 504 D C 0.221 176.557 176.300 0.060 0.000 1.157 504 D CA 1.019 55.071 54.000 0.086 0.000 0.694 504 D CB -0.899 39.967 40.800 0.111 0.000 1.021 504 D HN 0.823 nan 8.370 nan 0.000 0.420 505 A N 0.428 123.226 122.820 -0.038 0.000 2.520 505 A HA 0.533 4.854 4.320 0.000 0.000 0.245 505 A C 1.139 178.467 177.584 -0.427 0.000 1.072 505 A CA 0.981 52.875 52.037 -0.238 0.000 0.761 505 A CB 0.753 19.646 19.000 -0.178 0.000 1.004 505 A HN 0.612 nan 8.150 nan 0.000 0.499 506 G N 0.714 109.114 108.800 -0.667 0.000 2.677 506 G HA2 0.580 4.540 3.960 0.000 0.000 0.291 506 G HA3 0.580 4.540 3.960 0.000 0.000 0.291 506 G C -0.929 173.622 174.900 -0.583 0.000 1.435 506 G CA -0.798 43.898 45.100 -0.673 0.000 0.826 506 G HN 0.419 nan 8.290 nan 0.000 0.491 507 F N 0.330 120.206 119.950 -0.122 0.000 2.378 507 F HA 0.626 5.153 4.527 0.000 0.000 0.319 507 F C 1.325 177.103 175.800 -0.038 0.000 1.155 507 F CA -0.166 57.796 58.000 -0.062 0.000 1.157 507 F CB 0.773 39.762 39.000 -0.017 0.000 1.252 507 F HN 0.566 nan 8.300 nan 0.000 0.550 508 G N -0.053 108.888 108.800 0.234 0.000 2.507 508 G HA2 0.514 4.475 3.960 0.000 0.000 0.271 508 G HA3 0.514 4.475 3.960 0.000 0.000 0.271 508 G C -0.784 174.161 174.900 0.076 0.000 1.189 508 G CA -1.053 44.134 45.100 0.144 0.000 0.859 508 G HN 0.720 nan 8.290 nan 0.000 0.542 509 R N 0.294 120.798 120.500 0.008 0.000 2.404 509 R HA 0.524 4.864 4.340 0.000 0.000 0.291 509 R C -0.609 175.609 176.300 -0.136 0.000 1.025 509 R CA -0.768 55.294 56.100 -0.063 0.000 0.991 509 R CB 1.384 31.647 30.300 -0.061 0.000 1.053 509 R HN 0.300 nan 8.270 nan 0.000 0.479 510 K N 2.438 122.714 120.400 -0.207 0.000 2.098 510 K HA 0.365 4.686 4.320 0.000 0.000 0.261 510 K C -0.414 176.115 176.600 -0.117 0.000 0.987 510 K CA -0.620 55.510 56.287 -0.262 0.000 0.916 510 K CB 1.243 33.547 32.500 -0.326 0.000 1.039 510 K HN 0.341 nan 8.250 nan 0.000 0.455 511 L N 2.284 123.474 121.223 -0.056 0.000 2.344 511 L HA 0.381 4.722 4.340 0.000 0.000 0.272 511 L C 1.674 178.552 176.870 0.013 0.000 1.035 511 L CA -0.649 54.175 54.840 -0.027 0.000 0.807 511 L CB 1.471 43.507 42.059 -0.039 0.000 1.237 511 L HN 0.700 nan 8.230 nan 0.000 0.442 512 R N 1.007 121.508 120.500 0.001 0.000 2.065 512 R HA -0.045 4.296 4.340 0.000 0.000 0.224 512 R C 0.684 177.007 176.300 0.038 0.000 1.161 512 R CA 1.192 57.296 56.100 0.007 0.000 0.923 512 R CB 0.162 30.457 30.300 -0.008 0.000 0.822 512 R HN 0.644 nan 8.270 nan 0.000 0.437 513 Q N 0.882 120.718 119.800 0.061 0.000 2.560 513 Q HA 0.105 4.445 4.340 0.000 0.000 0.238 513 Q C -1.814 174.285 176.000 0.164 0.000 1.079 513 Q CA -0.190 55.658 55.803 0.076 0.000 0.866 513 Q CB 0.443 29.210 28.738 0.049 0.000 1.153 513 Q HN 0.327 nan 8.270 nan 0.000 0.530 514 H N 2.176 121.257 119.070 0.018 0.000 3.017 514 H HA 0.449 5.005 4.556 0.000 0.000 0.340 514 H C -1.624 173.723 175.328 0.032 0.000 1.014 514 H CA -0.353 55.716 56.048 0.036 0.000 1.341 514 H CB 1.111 30.902 29.762 0.049 0.000 1.739 514 H HN 0.388 nan 8.280 nan 0.000 0.506 515 K N 3.709 123.906 120.400 -0.338 0.000 2.482 515 K HA 0.553 4.873 4.320 0.000 0.000 0.251 515 K C -1.382 175.008 176.600 -0.350 0.000 0.936 515 K CA -0.967 55.172 56.287 -0.246 0.000 0.791 515 K CB 3.068 35.497 32.500 -0.118 0.000 1.213 515 K HN 0.173 nan 8.250 nan 0.000 0.428 516 V N 2.622 122.408 119.914 -0.214 0.000 2.378 516 V HA 0.221 4.341 4.120 0.000 0.000 0.288 516 V C 0.160 176.262 176.094 0.014 0.000 1.016 516 V CA -0.821 61.407 62.300 -0.120 0.000 0.840 516 V CB 1.342 33.088 31.823 -0.127 0.000 0.994 516 V HN 0.950 nan 8.190 nan 0.000 0.431 517 T N 1.290 115.844 114.554 -0.000 0.000 2.898 517 T HA 0.072 4.422 4.350 0.000 0.000 0.301 517 T C 1.463 176.206 174.700 0.073 0.000 1.049 517 T CA 0.397 62.503 62.100 0.010 0.000 1.095 517 T CB 1.256 70.121 68.868 -0.005 0.000 0.976 517 T HN 0.590 nan 8.240 nan 0.000 0.539 518 S N 0.694 116.443 115.700 0.082 0.000 2.440 518 S HA -0.154 4.316 4.470 0.000 0.000 0.238 518 S C 1.372 176.011 174.600 0.065 0.000 1.010 518 S CA 1.446 59.748 58.200 0.170 0.000 0.972 518 S CB -0.731 62.538 63.200 0.115 0.000 0.774 518 S HN 0.746 nan 8.310 nan 0.000 0.501 519 D N 0.942 121.360 120.400 0.029 0.000 2.194 519 D HA 0.006 4.646 4.640 0.000 0.000 0.204 519 D C 1.770 178.076 176.300 0.011 0.000 0.964 519 D CA 0.798 54.804 54.000 0.010 0.000 0.846 519 D CB -0.274 40.529 40.800 0.006 0.000 0.962 519 D HN 0.605 nan 8.370 nan 0.000 0.490 520 E N 0.123 120.339 120.200 0.026 0.000 2.482 520 E HA 0.027 4.377 4.350 0.000 0.000 0.196 520 E C 2.022 178.656 176.600 0.056 0.000 1.047 520 E CA -0.168 56.263 56.400 0.052 0.000 0.869 520 E CB 0.149 29.897 29.700 0.079 0.000 0.836 520 E HN 0.263 nan 8.360 nan 0.000 0.520 521 L N 0.211 121.414 121.223 -0.034 0.000 2.042 521 L HA -0.185 4.155 4.340 0.000 0.000 0.210 521 L C 2.496 179.363 176.870 -0.005 0.000 1.076 521 L CA 1.430 56.193 54.840 -0.129 0.000 0.749 521 L CB -0.626 41.193 42.059 -0.400 0.000 0.893 521 L HN 0.268 nan 8.230 nan 0.000 0.432 522 G N -0.793 107.989 108.800 -0.031 0.000 2.402 522 G HA2 -0.237 3.723 3.960 0.000 0.000 0.216 522 G HA3 -0.237 3.723 3.960 0.000 0.000 0.216 522 G C 1.203 176.109 174.900 0.009 0.000 1.162 522 G CA 0.711 45.788 45.100 -0.039 0.000 0.777 522 G HN 0.286 nan 8.290 nan 0.000 0.539 523 D N -0.430 119.999 120.400 0.048 0.000 2.104 523 D HA -0.144 4.496 4.640 0.000 0.000 0.194 523 D C 1.947 178.321 176.300 0.124 0.000 0.994 523 D CA 1.060 55.103 54.000 0.072 0.000 0.830 523 D CB -0.252 40.597 40.800 0.082 0.000 0.959 523 D HN 0.417 nan 8.370 nan 0.000 0.452 524 Y N 1.635 121.987 120.300 0.085 0.000 2.163 524 Y HA -0.170 4.380 4.550 0.000 0.000 0.288 524 Y C 2.294 178.299 175.900 0.176 0.000 1.136 524 Y CA 1.269 59.466 58.100 0.161 0.000 1.147 524 Y CB -0.210 38.388 38.460 0.230 0.000 0.987 524 Y HN -0.135 nan 8.280 nan 0.000 0.509 525 I N 0.550 121.281 120.570 0.268 0.000 2.163 525 I HA -0.318 3.852 4.170 0.000 0.000 0.243 525 I C 2.277 178.391 176.117 -0.006 0.000 1.085 525 I CA 2.006 63.393 61.300 0.145 0.000 1.347 525 I CB -1.173 36.897 38.000 0.117 0.000 1.044 525 I HN 0.387 nan 8.210 nan 0.000 0.408 526 D N 1.296 121.680 120.400 -0.027 0.000 2.092 526 D HA -0.253 4.387 4.640 0.000 0.000 0.193 526 D C 2.277 178.576 176.300 -0.000 0.000 0.994 526 D CA 1.636 55.619 54.000 -0.029 0.000 0.828 526 D CB -0.073 40.709 40.800 -0.030 0.000 0.963 526 D HN 0.205 nan 8.370 nan 0.000 0.450 527 R N 0.032 120.521 120.500 -0.018 0.000 2.097 527 R HA -0.140 4.200 4.340 0.000 0.000 0.236 527 R C 2.508 178.807 176.300 -0.000 0.000 1.135 527 R CA 1.804 57.898 56.100 -0.010 0.000 0.934 527 R CB -0.704 29.582 30.300 -0.024 0.000 0.846 527 R HN 0.148 nan 8.270 nan 0.000 0.431 528 V N 0.014 119.878 119.914 -0.085 0.000 2.515 528 V HA -0.131 3.989 4.120 0.000 0.000 0.250 528 V C 1.970 178.205 176.094 0.234 0.000 1.058 528 V CA 1.659 63.989 62.300 0.050 0.000 1.064 528 V CB 0.193 31.958 31.823 -0.096 0.000 0.675 528 V HN 0.281 nan 8.190 nan 0.000 0.461 529 V N 0.199 120.220 119.914 0.180 0.000 2.453 529 V HA -0.148 3.973 4.120 0.000 0.000 0.247 529 V C 2.618 178.830 176.094 0.198 0.000 1.048 529 V CA 2.138 64.591 62.300 0.254 0.000 1.049 529 V CB -0.767 31.198 31.823 0.237 0.000 0.672 529 V HN 0.487 nan 8.190 nan 0.000 0.457 530 R N 0.220 120.789 120.500 0.115 0.000 2.075 530 R HA -0.120 4.220 4.340 0.000 0.000 0.232 530 R C 2.234 178.557 176.300 0.039 0.000 1.126 530 R CA 1.517 57.655 56.100 0.063 0.000 0.963 530 R CB -0.408 29.923 30.300 0.051 0.000 0.858 530 R HN 0.467 nan 8.270 nan 0.000 0.435 531 N N 0.523 119.274 118.700 0.085 0.000 2.205 531 N HA -0.182 4.558 4.740 0.000 0.000 0.186 531 N C 1.399 176.802 175.510 -0.178 0.000 1.015 531 N CA 1.009 54.134 53.050 0.124 0.000 0.862 531 N CB -0.296 38.343 38.487 0.253 0.000 0.986 531 N HN 0.121 nan 8.380 nan 0.000 0.429 532 F N 1.452 121.065 119.950 -0.562 0.000 2.134 532 F HA -0.100 4.427 4.527 0.000 0.000 0.299 532 F C 1.839 177.258 175.800 -0.634 0.000 1.097 532 F CA 0.919 58.240 58.000 -1.132 0.000 1.264 532 F CB -0.355 38.374 39.000 -0.451 0.000 1.001 532 F HN -0.175 nan 8.300 nan 0.000 0.479 533 V N -0.133 119.487 119.914 -0.491 0.000 3.217 533 V HA -0.114 4.006 4.120 0.000 0.000 0.264 533 V C 2.130 178.010 176.094 -0.357 0.000 1.135 533 V CA 1.499 63.507 62.300 -0.487 0.000 1.142 533 V CB -0.774 30.923 31.823 -0.209 0.000 0.754 533 V HN 0.159 nan 8.190 nan 0.000 0.484 534 K N 0.904 121.149 120.400 -0.259 0.000 2.054 534 K HA 0.010 4.330 4.320 0.000 0.000 0.207 534 K C 1.618 178.068 176.600 -0.250 0.000 1.031 534 K CA 1.183 57.345 56.287 -0.207 0.000 0.952 534 K CB -0.416 32.008 32.500 -0.126 0.000 0.775 534 K HN 0.479 nan 8.250 nan 0.000 0.447 535 H N 0.261 119.229 119.070 -0.170 0.000 2.832 535 H HA 0.162 4.718 4.556 0.000 0.000 0.297 535 H C -0.310 174.940 175.328 -0.130 0.000 1.103 535 H CA 0.126 56.157 56.048 -0.028 0.000 1.201 535 H CB -0.355 29.561 29.762 0.257 0.000 1.291 535 H HN -0.022 nan 8.280 nan 0.000 0.614 536 R N 0.604 120.949 120.500 -0.259 0.000 2.349 536 R HA 0.250 4.590 4.340 0.000 0.000 0.299 536 R C 0.187 176.389 176.300 -0.164 0.000 1.027 536 R CA -0.349 55.515 56.100 -0.394 0.000 0.958 536 R CB 0.899 30.785 30.300 -0.691 0.000 1.047 536 R HN 0.261 nan 8.270 nan 0.000 0.468 537 S N 2.018 117.681 115.700 -0.063 0.000 2.614 537 S HA 0.088 4.558 4.470 0.000 0.000 0.265 537 S C -0.666 173.900 174.600 -0.058 0.000 1.303 537 S CA -0.622 57.568 58.200 -0.017 0.000 1.000 537 S CB 0.837 64.070 63.200 0.054 0.000 0.935 537 S HN 0.518 nan 8.310 nan 0.000 0.551 538 E N 1.247 121.425 120.200 -0.038 0.000 2.223 538 E HA 0.493 4.843 4.350 0.000 0.000 0.282 538 E C 0.916 177.507 176.600 -0.015 0.000 1.046 538 E CA 0.697 57.071 56.400 -0.044 0.000 0.857 538 E CB 0.602 30.280 29.700 -0.037 0.000 1.055 538 E HN 0.946 nan 8.360 nan 0.000 0.409 539 G N 2.731 111.522 108.800 -0.016 0.000 2.143 539 G HA2 -0.344 3.616 3.960 0.000 0.000 0.248 539 G HA3 -0.344 3.616 3.960 0.000 0.000 0.248 539 G C 0.077 175.007 174.900 0.049 0.000 0.991 539 G CA 0.075 45.181 45.100 0.011 0.000 0.689 539 G HN 0.511 nan 8.290 nan 0.000 0.522 540 E N 0.330 120.573 120.200 0.072 0.000 2.259 540 E HA 0.445 4.795 4.350 0.000 0.000 0.281 540 E C 0.862 177.620 176.600 0.264 0.000 1.027 540 E CA -0.787 55.701 56.400 0.147 0.000 0.838 540 E CB 0.556 30.353 29.700 0.162 0.000 1.066 540 E HN 0.399 nan 8.360 nan 0.000 0.401 541 R N 2.486 123.108 120.500 0.203 0.000 2.615 541 R HA 0.057 4.397 4.340 0.000 0.000 0.270 541 R C 0.994 177.414 176.300 0.199 0.000 1.081 541 R CA -0.190 56.019 56.100 0.183 0.000 1.154 541 R CB 0.425 30.767 30.300 0.069 0.000 1.063 541 R HN 0.614 nan 8.270 nan 0.000 0.519 542 F N 1.775 121.604 119.950 -0.202 0.000 2.134 542 F HA -0.170 4.357 4.527 0.000 0.000 0.299 542 F C 2.039 177.786 175.800 -0.089 0.000 1.097 542 F CA 1.978 59.666 58.000 -0.520 0.000 1.264 542 F CB -0.125 38.450 39.000 -0.708 0.000 1.001 542 F HN 0.657 nan 8.300 nan 0.000 0.479 543 A N -0.196 122.669 122.820 0.074 0.000 2.024 543 A HA -0.229 4.091 4.320 0.000 0.000 0.220 543 A C 2.068 179.661 177.584 0.016 0.000 1.164 543 A CA 1.867 53.940 52.037 0.060 0.000 0.643 543 A CB -0.678 18.386 19.000 0.106 0.000 0.806 543 A HN 0.630 nan 8.150 nan 0.000 0.451 544 Q N -2.321 117.504 119.800 0.041 0.000 2.062 544 Q HA -0.162 4.178 4.340 0.000 0.000 0.196 544 Q C 1.909 177.959 176.000 0.083 0.000 0.967 544 Q CA 1.339 57.180 55.803 0.063 0.000 0.832 544 Q CB -0.297 28.498 28.738 0.095 0.000 0.899 544 Q HN 0.884 nan 8.270 nan 0.000 0.442 545 W N 0.990 122.265 121.300 -0.042 0.000 2.421 545 W HA -0.120 4.540 4.660 0.000 0.000 0.270 545 W C 1.395 177.829 176.519 -0.143 0.000 1.233 545 W CA 0.901 58.233 57.345 -0.021 0.000 1.226 545 W CB 0.114 29.675 29.460 0.168 0.000 1.121 545 W HN -0.168 nan 8.180 nan 0.000 0.579 546 V N 2.980 122.677 119.914 -0.361 0.000 3.141 546 V HA -0.256 3.864 4.120 0.000 0.000 0.265 546 V C 2.300 178.172 176.094 -0.369 0.000 1.126 546 V CA 1.530 63.511 62.300 -0.532 0.000 1.141 546 V CB -1.022 30.563 31.823 -0.396 0.000 0.743 546 V HN 0.442 nan 8.190 nan 0.000 0.492 547 I N 0.786 121.213 120.570 -0.238 0.000 2.226 547 I HA -0.258 3.913 4.170 0.000 0.000 0.245 547 I C 2.397 178.388 176.117 -0.210 0.000 1.100 547 I CA 2.380 63.581 61.300 -0.166 0.000 1.374 547 I CB -0.336 37.616 38.000 -0.081 0.000 1.057 547 I HN 0.395 nan 8.210 nan 0.000 0.413 548 R N 1.804 122.136 120.500 -0.280 0.000 2.310 548 R HA 0.497 4.838 4.340 0.000 0.000 0.199 548 R C 1.212 177.325 176.300 -0.312 0.000 0.891 548 R CA 0.286 56.249 56.100 -0.228 0.000 1.060 548 R CB -0.475 29.757 30.300 -0.114 0.000 1.188 548 R HN 0.229 nan 8.270 nan 0.000 0.607 549 A N 2.331 124.798 122.820 -0.588 0.000 2.547 549 A HA 0.019 4.339 4.320 0.000 0.000 0.233 549 A C -0.201 177.158 177.584 -0.375 0.000 1.067 549 A CA -0.089 51.626 52.037 -0.537 0.000 0.763 549 A CB 0.055 18.442 19.000 -1.022 0.000 1.007 549 A HN 0.410 nan 8.150 nan 0.000 0.506 550 E N 0.323 120.377 120.200 -0.244 0.000 2.437 550 E HA -0.036 4.314 4.350 0.000 0.000 0.263 550 E C 0.595 177.078 176.600 -0.195 0.000 1.030 550 E CA 0.114 56.410 56.400 -0.174 0.000 0.934 550 E CB 0.414 30.047 29.700 -0.113 0.000 0.943 550 E HN 0.749 nan 8.360 nan 0.000 0.444 551 E N 1.424 121.535 120.200 -0.149 0.000 2.265 551 E HA -0.185 4.165 4.350 0.000 0.000 0.196 551 E C 0.803 177.337 176.600 -0.110 0.000 0.996 551 E CA 0.685 57.002 56.400 -0.139 0.000 0.832 551 E CB 0.159 29.795 29.700 -0.106 0.000 0.756 551 E HN 0.414 nan 8.360 nan 0.000 0.491 552 D N 0.910 121.261 120.400 -0.081 0.000 2.224 552 D HA -0.104 4.537 4.640 0.000 0.000 0.205 552 D C 0.973 177.251 176.300 -0.036 0.000 0.965 552 D CA 0.765 54.739 54.000 -0.043 0.000 0.852 552 D CB -0.114 40.675 40.800 -0.019 0.000 0.947 552 D HN 0.125 nan 8.370 nan 0.000 0.494 553 D N 0.118 120.476 120.400 -0.070 0.000 2.378 553 D HA 0.007 4.647 4.640 0.000 0.000 0.227 553 D C 1.460 177.781 176.300 0.034 0.000 1.012 553 D CA 0.261 54.250 54.000 -0.018 0.000 0.905 553 D CB 0.099 40.858 40.800 -0.069 0.000 0.895 553 D HN 0.269 nan 8.370 nan 0.000 0.532 554 L N -0.513 120.675 121.223 -0.058 0.000 2.857 554 L HA 0.277 4.617 4.340 0.000 0.000 0.249 554 L C 0.955 177.809 176.870 -0.026 0.000 1.172 554 L CA -0.148 54.663 54.840 -0.047 0.000 0.980 554 L CB 0.522 42.493 42.059 -0.147 0.000 1.299 554 L HN -0.211 nan 8.230 nan 0.000 0.535 555 R N 0.000 120.485 120.500 -0.025 0.000 2.786 555 R HA 0.000 4.340 4.340 0.000 0.000 0.208 555 R CA 0.000 56.092 56.100 -0.013 0.000 0.921 555 R CB 0.000 30.279 30.300 -0.034 0.000 0.687 555 R HN 0.000 nan 8.270 nan 0.000 0.535