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 2r5i_1_B DATA FIRST_RESID 20 DATA SEQUENCE AVVNTDDYVT RTSIFYHAGS SRLLTVGDPY FRVPAGGGNK QDIPKVSAYQ DATA SEQUENCE YRVFRVQLPD PNKFGLPDTS IYNPETQRLV WACAGVEIGR GQPLGVGLSG DATA SEQUENCE HPFYNKLDDT ESSHAATSNV SEDVRDNVSV DYKQTQLCIL GCAPAIGEHW DATA SEQUENCE AKGTASKSRP LSQGDCPPLE LKNTVLEDGD MVDTGYGAMD FSTLQDTKCE DATA SEQUENCE VPLDICQSIC KYPDYLQMSA DPYGDSMFFC LRREQLFARH FWNRAGTMGD DATA SEQUENCE TVPQSLYIKG TGMRASPGSC VYSPSPSGSI VTSDSQLFNK PYWLHKAQGH DATA SEQUENCE NNGVCWHNQL FVTVVDTTRS TNLTICASTQ SPVPGQYDAT KFKQYSRHVE DATA SEQUENCE EYDLQFIFQL CTITLTADVM SYIQSMNSSI LEDWNXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXNK DPYDKLKFWN VDLKEKFSLD LDQYPLGRKF DATA SEQUENCE LVQAGL 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 20 A HA 0.000 nan 4.320 nan 0.000 0.244 20 A C 0.000 177.618 177.584 0.057 0.000 1.274 20 A CA 0.000 52.054 52.037 0.028 0.000 0.836 20 A CB 0.000 19.015 19.000 0.026 0.000 0.831 21 V N 2.182 122.067 119.914 -0.047 0.000 2.686 21 V HA 0.518 4.619 4.120 -0.032 0.000 0.295 21 V C 0.335 176.281 176.094 -0.247 0.000 1.055 21 V CA -0.211 62.038 62.300 -0.084 0.000 1.050 21 V CB 1.398 33.020 31.823 -0.335 0.000 0.984 21 V HN 0.782 nan 8.190 nan 0.000 0.482 22 V N 3.174 123.095 119.914 0.012 0.000 2.823 22 V HA 0.385 4.486 4.120 -0.032 0.000 0.312 22 V C 0.181 176.348 176.094 0.123 0.000 1.072 22 V CA -1.135 61.125 62.300 -0.067 0.000 0.937 22 V CB 1.937 33.699 31.823 -0.102 0.000 1.013 22 V HN 0.847 nan 8.190 nan 0.000 0.430 23 N N 2.007 120.801 118.700 0.157 0.000 2.412 23 N HA -0.036 4.684 4.740 -0.032 0.000 0.258 23 N C 1.479 177.106 175.510 0.195 0.000 1.236 23 N CA 0.846 54.056 53.050 0.268 0.000 0.882 23 N CB 1.621 40.238 38.487 0.217 0.000 1.066 23 N HN 1.027 nan 8.380 nan 0.000 0.465 24 T N -0.522 114.107 114.554 0.125 0.000 2.881 24 T HA -0.123 4.208 4.350 -0.032 0.000 0.270 24 T C 0.866 175.420 174.700 -0.244 0.000 1.068 24 T CA 0.990 62.941 62.100 -0.249 0.000 1.131 24 T CB 0.037 68.814 68.868 -0.152 0.000 0.871 24 T HN 0.430 nan 8.240 nan 0.000 0.479 25 D N 1.715 122.083 120.400 -0.055 0.000 2.354 25 D HA -0.089 4.532 4.640 -0.032 0.000 0.216 25 D C 1.247 177.546 176.300 -0.002 0.000 0.970 25 D CA 0.968 54.951 54.000 -0.029 0.000 0.905 25 D CB -0.214 40.598 40.800 0.019 0.000 0.903 25 D HN 0.495 nan 8.370 nan 0.000 0.508 26 D N -0.725 119.696 120.400 0.034 0.000 2.271 26 D HA -0.059 4.561 4.640 -0.032 0.000 0.206 26 D C 1.488 177.892 176.300 0.173 0.000 0.967 26 D CA 0.549 54.611 54.000 0.102 0.000 0.867 26 D CB 0.026 40.901 40.800 0.126 0.000 0.960 26 D HN 0.526 nan 8.370 nan 0.000 0.509 27 Y N -2.006 118.325 120.300 0.052 0.000 2.527 27 Y HA 0.486 5.017 4.550 -0.032 0.000 0.247 27 Y C -0.200 175.774 175.900 0.122 0.000 1.138 27 Y CA -0.502 57.641 58.100 0.072 0.000 1.228 27 Y CB 0.404 38.901 38.460 0.062 0.000 1.252 27 Y HN -0.349 nan 8.280 nan 0.000 0.531 28 V N 2.474 122.340 119.914 -0.079 0.000 2.349 28 V HA 0.325 4.425 4.120 -0.032 0.000 0.284 28 V C -0.252 175.823 176.094 -0.031 0.000 1.014 28 V CA -0.654 61.611 62.300 -0.058 0.000 0.826 28 V CB 1.174 32.889 31.823 -0.181 0.000 1.009 28 V HN 0.349 nan 8.190 nan 0.000 0.431 29 T N 5.004 119.559 114.554 0.002 0.000 2.856 29 T HA 0.512 4.843 4.350 -0.032 0.000 0.292 29 T C 0.117 174.804 174.700 -0.021 0.000 0.980 29 T CA -0.574 61.526 62.100 -0.001 0.000 1.091 29 T CB 0.967 69.842 68.868 0.012 0.000 0.936 29 T HN 0.506 nan 8.240 nan 0.000 0.503 30 R N 1.406 121.897 120.500 -0.016 0.000 2.404 30 R HA 0.502 4.823 4.340 -0.032 0.000 0.291 30 R C 1.143 177.416 176.300 -0.044 0.000 1.025 30 R CA -0.605 55.476 56.100 -0.031 0.000 0.991 30 R CB 0.982 31.278 30.300 -0.006 0.000 1.053 30 R HN 0.855 nan 8.270 nan 0.000 0.479 31 T N -1.801 112.702 114.554 -0.085 0.000 2.833 31 T HA 0.130 4.460 4.350 -0.032 0.000 0.292 31 T C 0.958 175.571 174.700 -0.146 0.000 1.031 31 T CA -0.461 61.585 62.100 -0.091 0.000 0.937 31 T CB 1.036 69.849 68.868 -0.092 0.000 1.256 31 T HN 0.533 nan 8.240 nan 0.000 0.551 32 S N -0.532 115.101 115.700 -0.111 0.000 2.602 32 S HA 0.327 4.778 4.470 -0.032 0.000 0.240 32 S C 0.200 174.709 174.600 -0.152 0.000 0.992 32 S CA -0.762 57.382 58.200 -0.093 0.000 0.971 32 S CB -0.321 62.908 63.200 0.047 0.000 0.855 32 S HN 0.584 nan 8.310 nan 0.000 0.481 33 I N 2.591 123.025 120.570 -0.227 0.000 2.325 33 I HA 0.459 4.610 4.170 -0.032 0.000 0.291 33 I C -0.754 175.248 176.117 -0.193 0.000 1.019 33 I CA -1.020 60.229 61.300 -0.085 0.000 1.302 33 I CB -0.444 37.611 38.000 0.092 0.000 1.401 33 I HN 0.166 nan 8.210 nan 0.000 0.485 34 F N 6.050 126.078 119.950 0.129 0.000 2.507 34 F HA 0.504 5.012 4.527 -0.032 0.000 0.325 34 F C -0.254 175.554 175.800 0.013 0.000 1.116 34 F CA -0.654 57.418 58.000 0.119 0.000 0.930 34 F CB 1.668 40.682 39.000 0.023 0.000 1.146 34 F HN 0.241 nan 8.300 nan 0.000 0.447 35 Y N 1.444 121.855 120.300 0.186 0.000 2.528 35 Y HA 0.377 4.908 4.550 -0.033 0.000 0.335 35 Y C 0.012 175.828 175.900 -0.139 0.000 1.093 35 Y CA -0.794 57.339 58.100 0.055 0.000 1.134 35 Y CB 1.359 39.825 38.460 0.009 0.000 1.253 35 Y HN 0.507 nan 8.280 nan 0.000 0.478 36 H N 1.191 120.195 119.070 -0.110 0.000 2.567 36 H HA 0.873 5.410 4.556 -0.032 0.000 0.345 36 H C -1.712 173.339 175.328 -0.462 0.000 1.169 36 H CA -0.752 55.126 56.048 -0.283 0.000 1.227 36 H CB 1.728 31.333 29.762 -0.261 0.000 1.607 36 H HN 0.789 nan 8.280 nan 0.000 0.534 37 A N 1.956 124.174 122.820 -1.003 0.000 2.540 37 A HA 0.606 4.907 4.320 -0.032 0.000 0.297 37 A C -1.017 176.297 177.584 -0.449 0.000 1.056 37 A CA -0.038 51.647 52.037 -0.587 0.000 0.700 37 A CB 1.515 20.068 19.000 -0.743 0.000 1.280 37 A HN 0.930 nan 8.150 nan 0.000 0.398 38 G N 0.701 109.430 108.800 -0.118 0.000 2.753 38 G HA2 0.646 4.586 3.960 -0.032 0.000 0.297 38 G HA3 0.646 4.586 3.960 -0.032 0.000 0.297 38 G C -0.182 174.732 174.900 0.024 0.000 1.430 38 G CA 0.230 45.310 45.100 -0.034 0.000 1.040 38 G HN 1.717 nan 8.290 nan 0.000 0.530 39 S N 0.901 116.603 115.700 0.003 0.000 2.573 39 S HA 0.356 4.807 4.470 -0.032 0.000 0.277 39 S C 1.712 176.319 174.600 0.011 0.000 1.346 39 S CA 0.528 58.730 58.200 0.003 0.000 1.034 39 S CB 1.265 64.419 63.200 -0.078 0.000 0.879 39 S HN 1.449 nan 8.310 nan 0.000 0.528 40 S N 2.182 117.907 115.700 0.042 0.000 2.436 40 S HA -0.048 4.403 4.470 -0.032 0.000 0.208 40 S C 0.824 175.441 174.600 0.029 0.000 1.063 40 S CA 0.648 58.879 58.200 0.051 0.000 1.120 40 S CB -0.551 62.692 63.200 0.072 0.000 1.053 40 S HN 1.030 nan 8.310 nan 0.000 0.407 41 R N 0.374 120.901 120.500 0.044 0.000 2.912 41 R HA 0.391 4.712 4.340 -0.032 0.000 0.278 41 R C -1.667 174.686 176.300 0.089 0.000 1.533 41 R CA -0.399 55.723 56.100 0.036 0.000 1.061 41 R CB 0.278 30.602 30.300 0.040 0.000 1.313 41 R HN 0.450 nan 8.270 nan 0.000 0.443 42 L N 3.966 125.233 121.223 0.074 0.000 2.461 42 L HA 0.420 4.740 4.340 -0.032 0.000 0.272 42 L C -0.329 176.733 176.870 0.319 0.000 1.197 42 L CA -0.393 54.574 54.840 0.212 0.000 0.836 42 L CB 0.566 42.577 42.059 -0.081 0.000 1.105 42 L HN 0.512 nan 8.230 nan 0.000 0.477 43 L N 2.104 123.627 121.223 0.500 0.000 2.591 43 L HA 0.644 4.964 4.340 -0.032 0.000 0.257 43 L C -0.855 176.218 176.870 0.339 0.000 0.935 43 L CA 0.115 55.167 54.840 0.354 0.000 0.873 43 L CB 2.473 44.644 42.059 0.187 0.000 1.397 43 L HN 0.644 nan 8.230 nan 0.000 0.414 44 T N 3.463 118.162 114.554 0.242 0.000 3.291 44 T HA 0.704 5.034 4.350 -0.032 0.000 0.344 44 T C -1.625 173.099 174.700 0.040 0.000 1.293 44 T CA 0.122 62.287 62.100 0.108 0.000 1.108 44 T CB 0.880 69.784 68.868 0.061 0.000 1.231 44 T HN 1.266 nan 8.240 nan 0.000 0.474 45 V N 1.740 121.655 119.914 0.001 0.000 3.001 45 V HA 1.125 5.225 4.120 -0.032 0.000 0.314 45 V C 0.223 176.311 176.094 -0.012 0.000 1.099 45 V CA 0.009 62.297 62.300 -0.020 0.000 0.989 45 V CB 1.366 33.177 31.823 -0.021 0.000 1.040 45 V HN 1.452 nan 8.190 nan 0.000 0.434 46 G N 0.891 109.688 108.800 -0.005 0.000 2.430 46 G HA2 0.386 4.326 3.960 -0.032 0.000 0.300 46 G HA3 0.386 4.326 3.960 -0.032 0.000 0.300 46 G C -2.101 172.792 174.900 -0.012 0.000 1.330 46 G CA -0.231 44.871 45.100 0.002 0.000 0.813 46 G HN 0.986 nan 8.290 nan 0.000 0.487 47 D N 0.318 120.693 120.400 -0.043 0.000 2.256 47 D HA 0.357 4.978 4.640 -0.032 0.000 0.250 47 D C -1.239 174.962 176.300 -0.166 0.000 1.093 47 D CA -1.905 51.999 54.000 -0.159 0.000 0.882 47 D CB 2.404 43.078 40.800 -0.211 0.000 1.185 47 D HN 0.076 nan 8.370 nan 0.000 0.437 48 P HA -0.058 nan 4.420 nan 0.000 0.236 48 P C 0.679 177.998 177.300 0.032 0.000 1.177 48 P CA 0.772 63.791 63.100 -0.134 0.000 0.773 48 P CB 0.163 31.698 31.700 -0.276 0.000 0.878 49 Y N -0.587 119.566 120.300 -0.245 0.000 2.581 49 Y HA 0.233 4.763 4.550 -0.033 0.000 0.271 49 Y C 1.086 176.912 175.900 -0.123 0.000 1.100 49 Y CA -0.772 57.184 58.100 -0.239 0.000 1.281 49 Y CB 0.385 38.615 38.460 -0.384 0.000 1.237 49 Y HN -0.129 nan 8.280 nan 0.000 0.514 50 F N -0.610 119.451 119.950 0.185 0.000 2.858 50 F HA 0.492 5.000 4.527 -0.032 0.000 0.319 50 F C -1.238 174.610 175.800 0.080 0.000 1.166 50 F CA -2.399 55.673 58.000 0.120 0.000 0.899 50 F CB 0.582 39.647 39.000 0.107 0.000 1.332 50 F HN -0.209 nan 8.300 nan 0.000 0.461 51 R N 0.691 121.430 120.500 0.399 0.000 2.457 51 R HA 0.813 5.134 4.340 -0.032 0.000 0.284 51 R C -1.671 174.800 176.300 0.285 0.000 1.024 51 R CA -0.894 55.356 56.100 0.249 0.000 1.025 51 R CB 1.558 31.939 30.300 0.135 0.000 1.063 51 R HN 0.519 nan 8.270 nan 0.000 0.493 52 V N 4.088 124.126 119.914 0.206 0.000 2.333 52 V HA 0.264 4.365 4.120 -0.032 0.000 0.274 52 V C -2.027 174.131 176.094 0.107 0.000 1.028 52 V CA -2.274 60.139 62.300 0.189 0.000 0.851 52 V CB 1.073 33.009 31.823 0.188 0.000 1.000 52 V HN 0.787 nan 8.190 nan 0.000 0.456 53 P HA 0.007 nan 4.420 nan 0.000 0.261 53 P C 0.253 177.579 177.300 0.043 0.000 1.173 53 P CA 0.406 63.534 63.100 0.046 0.000 0.760 53 P CB 0.369 32.084 31.700 0.026 0.000 0.783 54 A N 4.494 127.335 122.820 0.034 0.000 2.622 54 A HA 0.230 4.531 4.320 -0.032 0.000 0.235 54 A C 1.847 179.447 177.584 0.026 0.000 1.013 54 A CA 0.829 52.883 52.037 0.027 0.000 0.765 54 A CB -1.214 17.796 19.000 0.017 0.000 0.921 54 A HN 0.950 nan 8.150 nan 0.000 0.506 55 G N 1.707 110.522 108.800 0.026 0.000 2.243 55 G HA2 -0.230 3.711 3.960 -0.032 0.000 0.276 55 G HA3 -0.230 3.711 3.960 -0.032 0.000 0.276 55 G C 1.585 176.500 174.900 0.025 0.000 0.997 55 G CA 1.689 46.803 45.100 0.022 0.000 0.693 55 G HN 2.073 nan 8.290 nan 0.000 0.529 56 G N 0.289 109.108 108.800 0.031 0.000 2.586 56 G HA2 0.038 3.978 3.960 -0.032 0.000 0.218 56 G HA3 0.038 3.978 3.960 -0.032 0.000 0.218 56 G C 1.732 176.653 174.900 0.036 0.000 1.216 56 G CA 1.935 47.054 45.100 0.032 0.000 0.786 56 G HN 1.383 nan 8.290 nan 0.000 0.583 57 G N 0.511 109.342 108.800 0.051 0.000 2.447 57 G HA2 0.135 4.076 3.960 -0.032 0.000 0.211 57 G HA3 0.135 4.076 3.960 -0.032 0.000 0.211 57 G C 0.580 175.501 174.900 0.036 0.000 1.184 57 G CA 0.723 45.855 45.100 0.053 0.000 0.813 57 G HN 0.734 nan 8.290 nan 0.000 0.540 58 N N -0.213 118.506 118.700 0.033 0.000 2.519 58 N HA 0.118 4.839 4.740 -0.032 0.000 0.291 58 N C -0.722 174.797 175.510 0.014 0.000 1.107 58 N CA -0.633 52.426 53.050 0.016 0.000 0.904 58 N CB 1.717 40.204 38.487 0.001 0.000 1.500 58 N HN 0.161 nan 8.380 nan 0.000 0.510 59 K N 2.328 122.734 120.400 0.011 0.000 2.435 59 K HA -0.333 3.968 4.320 -0.032 0.000 0.249 59 K C -0.449 176.156 176.600 0.008 0.000 1.037 59 K CA 1.158 57.450 56.287 0.008 0.000 1.129 59 K CB -0.008 32.495 32.500 0.004 0.000 0.737 59 K HN 0.894 nan 8.250 nan 0.000 0.462 60 Q N 2.145 121.950 119.800 0.010 0.000 3.231 60 Q HA -0.147 4.174 4.340 -0.032 0.000 0.028 60 Q C -1.380 174.629 176.000 0.014 0.000 1.708 60 Q CA 1.109 56.917 55.803 0.008 0.000 0.242 60 Q CB -0.017 28.722 28.738 0.002 0.000 0.586 60 Q HN 0.753 nan 8.270 nan 0.000 0.322 61 D N 3.255 123.663 120.400 0.014 0.000 2.525 61 D HA 0.078 4.699 4.640 -0.032 0.000 0.235 61 D C 0.331 176.644 176.300 0.021 0.000 1.137 61 D CA 0.576 54.589 54.000 0.022 0.000 0.868 61 D CB 0.366 41.175 40.800 0.016 0.000 1.180 61 D HN 0.346 nan 8.370 nan 0.000 0.465 62 I N 4.081 124.675 120.570 0.040 0.000 2.306 62 I HA 0.185 4.335 4.170 -0.032 0.000 0.288 62 I C -2.135 174.008 176.117 0.043 0.000 1.036 62 I CA -2.148 59.175 61.300 0.038 0.000 1.221 62 I CB 0.708 38.741 38.000 0.055 0.000 1.385 62 I HN -0.085 nan 8.210 nan 0.000 0.472 63 P HA 0.081 nan 4.420 nan 0.000 0.272 63 P C -0.199 177.124 177.300 0.038 0.000 1.230 63 P CA -0.500 62.611 63.100 0.019 0.000 0.788 63 P CB 0.753 32.444 31.700 -0.016 0.000 0.949 64 K N 1.925 122.359 120.400 0.058 0.000 2.220 64 K HA 0.215 4.516 4.320 -0.032 0.000 0.283 64 K C -1.100 175.549 176.600 0.082 0.000 1.098 64 K CA -0.262 56.069 56.287 0.073 0.000 0.928 64 K CB -0.319 32.246 32.500 0.109 0.000 1.214 64 K HN 0.192 nan 8.250 nan 0.000 0.442 65 V N 3.345 123.310 119.914 0.086 0.000 2.318 65 V HA 0.149 4.250 4.120 -0.032 0.000 0.271 65 V C 0.140 176.390 176.094 0.261 0.000 1.030 65 V CA -0.502 61.884 62.300 0.143 0.000 0.844 65 V CB 0.949 32.832 31.823 0.100 0.000 1.015 65 V HN 0.659 nan 8.190 nan 0.000 0.460 66 S N 3.473 119.336 115.700 0.272 0.000 2.648 66 S HA 0.754 5.204 4.470 -0.032 0.000 0.305 66 S C 1.046 175.795 174.600 0.249 0.000 1.094 66 S CA 0.154 58.517 58.200 0.273 0.000 0.983 66 S CB 2.065 65.423 63.200 0.264 0.000 1.101 66 S HN 0.834 nan 8.310 nan 0.000 0.514 67 A N 1.565 124.374 122.820 -0.019 0.000 2.218 67 A HA 0.256 4.557 4.320 -0.032 0.000 0.209 67 A C 0.362 177.775 177.584 -0.285 0.000 1.168 67 A CA 0.421 52.398 52.037 -0.100 0.000 0.804 67 A CB -0.445 18.363 19.000 -0.320 0.000 0.834 67 A HN 0.810 nan 8.150 nan 0.000 0.482 68 Y N 1.078 121.463 120.300 0.142 0.000 2.645 68 Y HA 0.207 4.736 4.550 -0.035 0.000 0.307 68 Y C 0.746 176.697 175.900 0.086 0.000 1.151 68 Y CA -0.291 57.880 58.100 0.117 0.000 1.291 68 Y CB -0.119 38.438 38.460 0.160 0.000 1.135 68 Y HN 0.534 nan 8.280 nan 0.000 0.523 69 Q N -1.699 118.211 119.800 0.184 0.000 2.342 69 Q HA 0.383 4.703 4.340 -0.032 0.000 0.267 69 Q C -1.261 174.840 176.000 0.168 0.000 1.038 69 Q CA -1.214 54.705 55.803 0.192 0.000 0.832 69 Q CB 1.346 30.212 28.738 0.213 0.000 1.323 69 Q HN 0.211 nan 8.270 nan 0.000 0.448 70 Y N 0.776 121.149 120.300 0.121 0.000 2.550 70 Y HA 0.101 4.633 4.550 -0.030 0.000 0.343 70 Y C 0.507 176.436 175.900 0.049 0.000 1.245 70 Y CA 0.203 58.361 58.100 0.097 0.000 1.462 70 Y CB 0.639 39.142 38.460 0.073 0.000 1.340 70 Y HN 0.352 nan 8.280 nan 0.000 0.604 71 R N 1.672 122.270 120.500 0.163 0.000 2.451 71 R HA 0.446 4.766 4.340 -0.032 0.000 0.307 71 R C -1.864 174.335 176.300 -0.168 0.000 0.965 71 R CA -0.762 55.273 56.100 -0.109 0.000 0.865 71 R CB 1.487 31.606 30.300 -0.302 0.000 1.174 71 R HN 0.438 nan 8.270 nan 0.000 0.455 72 V N 5.194 125.020 119.914 -0.148 0.000 2.313 72 V HA 0.426 4.526 4.120 -0.032 0.000 0.278 72 V C -0.276 175.734 176.094 -0.139 0.000 1.017 72 V CA -0.716 61.584 62.300 0.000 0.000 0.823 72 V CB 0.754 32.720 31.823 0.239 0.000 1.010 72 V HN 0.451 nan 8.190 nan 0.000 0.443 73 F N 3.472 123.439 119.950 0.028 0.000 2.404 73 F HA 0.552 5.059 4.527 -0.033 0.000 0.345 73 F C 0.780 176.503 175.800 -0.128 0.000 1.110 73 F CA -0.447 57.524 58.000 -0.049 0.000 1.130 73 F CB 1.180 40.065 39.000 -0.191 0.000 1.129 73 F HN 0.320 nan 8.300 nan 0.000 0.500 74 R N 3.428 123.898 120.500 -0.050 0.000 2.278 74 R HA 0.499 4.820 4.340 -0.032 0.000 0.322 74 R C -1.645 174.513 176.300 -0.236 0.000 1.058 74 R CA -0.407 55.416 56.100 -0.462 0.000 0.991 74 R CB 0.715 30.771 30.300 -0.407 0.000 1.140 74 R HN 0.541 nan 8.270 nan 0.000 0.518 75 V N 4.490 124.252 119.914 -0.253 0.000 2.408 75 V HA 0.102 4.203 4.120 -0.032 0.000 0.267 75 V C 0.112 176.084 176.094 -0.203 0.000 1.047 75 V CA -0.438 61.765 62.300 -0.162 0.000 0.937 75 V CB 1.231 32.940 31.823 -0.190 0.000 0.999 75 V HN 0.630 nan 8.190 nan 0.000 0.472 76 Q N 4.942 124.663 119.800 -0.131 0.000 2.349 76 Q HA 0.513 4.834 4.340 -0.032 0.000 0.254 76 Q C -0.862 175.047 176.000 -0.151 0.000 0.980 76 Q CA 0.118 55.849 55.803 -0.120 0.000 0.924 76 Q CB 0.885 29.587 28.738 -0.061 0.000 1.209 76 Q HN 0.703 nan 8.270 nan 0.000 0.445 77 L N 5.774 126.864 121.223 -0.221 0.000 2.375 77 L HA 0.662 4.983 4.340 -0.032 0.000 0.268 77 L C -1.921 174.720 176.870 -0.383 0.000 1.058 77 L CA -2.344 52.268 54.840 -0.380 0.000 0.803 77 L CB 1.250 42.987 42.059 -0.537 0.000 1.212 77 L HN 0.565 nan 8.230 nan 0.000 0.451 78 P HA -0.019 nan 4.420 nan 0.000 0.275 78 P C -1.044 176.055 177.300 -0.336 0.000 1.228 78 P CA -0.309 62.493 63.100 -0.497 0.000 0.786 78 P CB 0.809 31.989 31.700 -0.865 0.000 0.927 79 D N 4.049 124.327 120.400 -0.204 0.000 2.363 79 D HA 0.012 4.633 4.640 -0.032 0.000 0.263 79 D C -1.061 175.089 176.300 -0.250 0.000 1.258 79 D CA -1.889 52.016 54.000 -0.159 0.000 0.907 79 D CB 0.590 41.356 40.800 -0.056 0.000 1.107 79 D HN 0.224 nan 8.370 nan 0.000 0.495 80 P HA -0.124 nan 4.420 nan 0.000 0.222 80 P C 0.685 177.801 177.300 -0.307 0.000 1.147 80 P CA 0.682 63.417 63.100 -0.608 0.000 0.790 80 P CB 0.555 31.498 31.700 -1.262 0.000 0.780 81 N N 1.260 119.828 118.700 -0.220 0.000 2.132 81 N HA -0.063 4.657 4.740 -0.032 0.000 0.187 81 N C 1.296 176.807 175.510 0.001 0.000 1.038 81 N CA 1.023 54.004 53.050 -0.114 0.000 0.846 81 N CB -0.532 37.901 38.487 -0.091 0.000 1.012 81 N HN 0.255 nan 8.380 nan 0.000 0.429 82 K N 0.250 120.662 120.400 0.020 0.000 2.668 82 K HA 0.038 4.339 4.320 -0.032 0.000 0.204 82 K C -0.300 176.374 176.600 0.123 0.000 1.016 82 K CA 0.001 56.320 56.287 0.053 0.000 1.131 82 K CB -0.273 32.252 32.500 0.042 0.000 0.891 82 K HN 0.051 nan 8.250 nan 0.000 0.499 83 F N -0.120 119.774 119.950 -0.093 0.000 2.523 83 F HA 0.498 5.006 4.527 -0.032 0.000 0.329 83 F C 0.445 176.215 175.800 -0.050 0.000 1.061 83 F CA -1.552 56.397 58.000 -0.087 0.000 0.967 83 F CB 1.347 40.255 39.000 -0.153 0.000 1.218 83 F HN -0.104 nan 8.300 nan 0.000 0.480 84 G N 5.574 113.978 108.800 -0.660 0.000 2.457 84 G HA2 0.483 4.423 3.960 -0.032 0.000 0.316 84 G HA3 0.483 4.423 3.960 -0.032 0.000 0.316 84 G C -0.723 173.877 174.900 -0.500 0.000 1.030 84 G CA -0.522 44.295 45.100 -0.472 0.000 1.073 84 G HN 0.642 nan 8.290 nan 0.000 0.430 85 L N 3.511 124.632 121.223 -0.170 0.000 2.466 85 L HA 0.261 4.582 4.340 -0.032 0.000 0.257 85 L C -0.477 176.409 176.870 0.027 0.000 1.189 85 L CA -1.639 53.205 54.840 0.006 0.000 0.813 85 L CB 0.990 43.077 42.059 0.046 0.000 1.118 85 L HN 0.362 nan 8.230 nan 0.000 0.471 86 P HA -0.073 nan 4.420 nan 0.000 0.226 86 P C -0.365 176.960 177.300 0.041 0.000 1.153 86 P CA 1.060 64.198 63.100 0.064 0.000 0.777 86 P CB 0.166 31.911 31.700 0.075 0.000 0.794 87 D N -1.337 119.091 120.400 0.047 0.000 2.419 87 D HA 0.080 4.701 4.640 -0.032 0.000 0.219 87 D C -0.624 175.707 176.300 0.052 0.000 1.349 87 D CA -0.252 53.772 54.000 0.040 0.000 0.964 87 D CB 0.096 40.920 40.800 0.040 0.000 1.463 87 D HN -0.335 nan 8.370 nan 0.000 0.573 88 T N 1.440 116.025 114.554 0.052 0.000 3.624 88 T HA 0.245 4.575 4.350 -0.032 0.000 0.231 88 T C 0.721 175.491 174.700 0.115 0.000 0.865 88 T CA 0.129 62.287 62.100 0.097 0.000 0.926 88 T CB -0.421 68.499 68.868 0.087 0.000 1.189 88 T HN 0.356 nan 8.240 nan 0.000 0.640 89 S N -0.161 115.601 115.700 0.102 0.000 2.941 89 S HA 0.293 4.743 4.470 -0.032 0.000 0.248 89 S C 0.743 175.398 174.600 0.093 0.000 0.962 89 S CA -0.577 57.669 58.200 0.077 0.000 1.092 89 S CB -0.124 63.099 63.200 0.037 0.000 1.113 89 S HN 0.247 nan 8.310 nan 0.000 0.512 90 I N 1.049 121.711 120.570 0.153 0.000 3.708 90 I HA 0.335 4.486 4.170 -0.032 0.000 0.302 90 I C 0.588 176.812 176.117 0.179 0.000 1.255 90 I CA 0.041 61.405 61.300 0.106 0.000 1.362 90 I CB -0.970 37.048 38.000 0.030 0.000 1.100 90 I HN 0.731 nan 8.210 nan 0.000 0.434 91 Y N -0.206 120.066 120.300 -0.047 0.000 2.670 91 Y HA 0.591 5.122 4.550 -0.032 0.000 0.334 91 Y C -0.878 174.986 175.900 -0.059 0.000 1.185 91 Y CA -1.625 56.439 58.100 -0.060 0.000 1.053 91 Y CB 1.218 39.625 38.460 -0.089 0.000 1.298 91 Y HN -0.058 nan 8.280 nan 0.000 0.459 92 N N 3.206 121.691 118.700 -0.359 0.000 2.511 92 N HA 0.384 5.104 4.740 -0.032 0.000 0.249 92 N C -2.320 172.798 175.510 -0.653 0.000 0.971 92 N CA -2.876 49.909 53.050 -0.441 0.000 0.938 92 N CB 1.683 40.049 38.487 -0.202 0.000 1.131 92 N HN 0.431 nan 8.380 nan 0.000 0.505 93 P HA -0.077 nan 4.420 nan 0.000 0.240 93 P C -0.025 177.089 177.300 -0.310 0.000 1.186 93 P CA 0.896 63.621 63.100 -0.625 0.000 0.755 93 P CB 0.472 31.903 31.700 -0.448 0.000 0.870 94 E N -0.727 119.321 120.200 -0.252 0.000 2.340 94 E HA 0.007 4.338 4.350 -0.032 0.000 0.198 94 E C 1.704 178.238 176.600 -0.110 0.000 0.961 94 E CA 1.359 57.671 56.400 -0.146 0.000 0.905 94 E CB -0.161 29.469 29.700 -0.117 0.000 0.884 94 E HN 0.401 nan 8.360 nan 0.000 0.491 95 T N -1.977 112.503 114.554 -0.122 0.000 2.959 95 T HA 0.119 4.450 4.350 -0.032 0.000 0.254 95 T C 0.838 175.499 174.700 -0.065 0.000 1.003 95 T CA -0.298 61.757 62.100 -0.074 0.000 0.950 95 T CB 0.391 69.227 68.868 -0.053 0.000 1.090 95 T HN 0.007 nan 8.240 nan 0.000 0.503 96 Q N 0.171 119.914 119.800 -0.096 0.000 2.458 96 Q HA 0.739 5.059 4.340 -0.032 0.000 0.282 96 Q C -1.048 174.903 176.000 -0.083 0.000 1.106 96 Q CA -1.354 54.419 55.803 -0.050 0.000 0.814 96 Q CB 2.005 30.771 28.738 0.048 0.000 1.425 96 Q HN -0.029 nan 8.270 nan 0.000 0.437 97 R N 0.248 120.621 120.500 -0.211 0.000 2.912 97 R HA 0.640 4.960 4.340 -0.032 0.000 0.262 97 R C -0.877 175.190 176.300 -0.389 0.000 1.057 97 R CA -0.954 54.877 56.100 -0.449 0.000 0.981 97 R CB 1.506 31.015 30.300 -1.318 0.000 1.201 97 R HN 0.609 nan 8.270 nan 0.000 0.484 98 L N 1.202 122.140 121.223 -0.474 0.000 2.346 98 L HA 0.634 4.955 4.340 -0.032 0.000 0.276 98 L C -0.592 176.069 176.870 -0.348 0.000 1.006 98 L CA -1.007 53.550 54.840 -0.472 0.000 0.817 98 L CB 2.077 43.729 42.059 -0.677 0.000 1.272 98 L HN 0.193 nan 8.230 nan 0.000 0.421 99 V N 0.088 119.824 119.914 -0.295 0.000 2.962 99 V HA 0.416 4.517 4.120 -0.032 0.000 0.313 99 V C -1.200 174.762 176.094 -0.221 0.000 1.099 99 V CA -0.903 61.298 62.300 -0.165 0.000 0.971 99 V CB 2.170 33.970 31.823 -0.037 0.000 1.028 99 V HN 0.667 nan 8.190 nan 0.000 0.430 100 W N 1.402 122.602 121.300 -0.166 0.000 2.433 100 W HA 0.733 5.374 4.660 -0.032 0.000 0.315 100 W C 0.137 176.589 176.519 -0.111 0.000 1.087 100 W CA -0.521 56.721 57.345 -0.173 0.000 1.205 100 W CB 1.791 31.049 29.460 -0.337 0.000 1.288 100 W HN 0.752 nan 8.180 nan 0.000 0.504 101 A N 3.490 126.468 122.820 0.262 0.000 2.304 101 A HA 0.493 4.793 4.320 -0.032 0.000 0.323 101 A C -0.721 177.001 177.584 0.230 0.000 1.195 101 A CA -0.573 51.530 52.037 0.109 0.000 0.826 101 A CB 0.694 19.726 19.000 0.053 0.000 1.184 101 A HN 0.757 nan 8.150 nan 0.000 0.496 102 C N 2.239 121.597 119.300 0.096 0.000 2.601 102 C HA 0.594 5.035 4.460 -0.032 0.000 0.409 102 C C 1.249 176.185 174.990 -0.090 0.000 1.293 102 C CA 0.658 59.666 59.018 -0.016 0.000 2.101 102 C CB 0.188 27.863 27.740 -0.109 0.000 2.639 102 C HN 1.135 nan 8.230 nan 0.000 0.592 103 A N 3.417 126.160 122.820 -0.128 0.000 2.653 103 A HA 0.659 4.960 4.320 -0.032 0.000 0.248 103 A C 0.385 178.022 177.584 0.089 0.000 1.211 103 A CA 0.547 52.592 52.037 0.014 0.000 0.991 103 A CB -0.115 18.961 19.000 0.126 0.000 1.252 103 A HN 1.639 nan 8.150 nan 0.000 0.593 104 G N -0.610 108.151 108.800 -0.064 0.000 2.716 104 G HA2 0.537 4.478 3.960 -0.032 0.000 0.299 104 G HA3 0.537 4.478 3.960 -0.032 0.000 0.299 104 G C -1.606 173.133 174.900 -0.269 0.000 1.450 104 G CA -0.191 44.916 45.100 0.011 0.000 0.968 104 G HN 0.617 nan 8.290 nan 0.000 0.566 105 V N 0.415 120.099 119.914 -0.384 0.000 3.007 105 V HA 0.837 4.938 4.120 -0.032 0.000 0.311 105 V C -0.656 175.184 176.094 -0.424 0.000 1.120 105 V CA -0.879 61.158 62.300 -0.438 0.000 0.980 105 V CB 2.334 33.955 31.823 -0.337 0.000 1.033 105 V HN 0.985 nan 8.190 nan 0.000 0.429 106 E N 2.124 122.043 120.200 -0.469 0.000 2.448 106 E HA 0.461 4.792 4.350 -0.032 0.000 0.288 106 E C -1.800 174.621 176.600 -0.299 0.000 0.936 106 E CA -0.580 55.621 56.400 -0.332 0.000 0.809 106 E CB 1.241 30.725 29.700 -0.360 0.000 1.408 106 E HN 0.572 nan 8.360 nan 0.000 0.393 107 I N 3.979 124.478 120.570 -0.119 0.000 2.329 107 I HA 0.250 4.401 4.170 -0.032 0.000 0.295 107 I C 0.945 176.946 176.117 -0.193 0.000 1.109 107 I CA 0.339 61.511 61.300 -0.214 0.000 1.297 107 I CB 1.037 38.911 38.000 -0.210 0.000 1.433 107 I HN 0.558 nan 8.210 nan 0.000 0.509 108 G N 6.853 115.522 108.800 -0.218 0.000 2.378 108 G HA2 0.353 4.293 3.960 -0.032 0.000 0.255 108 G HA3 0.353 4.293 3.960 -0.032 0.000 0.255 108 G C 0.011 174.773 174.900 -0.229 0.000 1.270 108 G CA -0.605 44.389 45.100 -0.177 0.000 0.876 108 G HN 0.362 nan 8.290 nan 0.000 0.521 109 R N 1.710 122.093 120.500 -0.195 0.000 2.562 109 R HA 0.418 4.739 4.340 -0.032 0.000 0.298 109 R C 1.026 177.221 176.300 -0.175 0.000 0.961 109 R CA -0.266 55.669 56.100 -0.275 0.000 0.881 109 R CB 1.769 31.930 30.300 -0.233 0.000 1.159 109 R HN 0.577 nan 8.270 nan 0.000 0.450 110 G N 1.969 110.652 108.800 -0.196 0.000 2.654 110 G HA2 -0.097 3.844 3.960 -0.032 0.000 0.215 110 G HA3 -0.097 3.844 3.960 -0.032 0.000 0.215 110 G C 0.197 175.051 174.900 -0.077 0.000 1.310 110 G CA 0.092 45.124 45.100 -0.113 0.000 0.866 110 G HN 0.372 nan 8.290 nan 0.000 0.558 111 Q N 1.229 120.987 119.800 -0.069 0.000 2.839 111 Q HA 0.151 4.472 4.340 -0.032 0.000 0.229 111 Q C -1.937 174.050 176.000 -0.022 0.000 1.140 111 Q CA -0.725 55.056 55.803 -0.036 0.000 1.077 111 Q CB -0.398 28.323 28.738 -0.028 0.000 1.335 111 Q HN 0.306 nan 8.270 nan 0.000 0.610 112 P HA 0.201 nan 4.420 nan 0.000 0.278 112 P C -0.581 176.729 177.300 0.017 0.000 1.258 112 P CA -0.582 62.521 63.100 0.005 0.000 0.811 112 P CB 0.708 32.413 31.700 0.008 0.000 1.063 113 L N 0.602 121.837 121.223 0.020 0.000 2.436 113 L HA 0.619 4.939 4.340 -0.032 0.000 0.265 113 L C 1.166 178.056 176.870 0.035 0.000 1.168 113 L CA 0.957 55.815 54.840 0.030 0.000 0.815 113 L CB -0.019 42.057 42.059 0.029 0.000 1.109 113 L HN 0.779 nan 8.230 nan 0.000 0.462 114 G N 0.894 109.720 108.800 0.043 0.000 2.523 114 G HA2 0.589 4.530 3.960 -0.032 0.000 0.291 114 G HA3 0.589 4.530 3.960 -0.032 0.000 0.291 114 G C -1.734 173.197 174.900 0.052 0.000 1.450 114 G CA -0.051 45.077 45.100 0.046 0.000 0.790 114 G HN 0.680 nan 8.290 nan 0.000 0.496 115 V N -2.071 117.874 119.914 0.052 0.000 2.864 115 V HA 1.061 5.161 4.120 -0.032 0.000 0.314 115 V C 0.249 176.376 176.094 0.056 0.000 1.073 115 V CA -0.231 62.106 62.300 0.063 0.000 0.956 115 V CB 1.567 33.428 31.823 0.064 0.000 1.023 115 V HN 1.910 nan 8.190 nan 0.000 0.435 116 G N 2.030 110.872 108.800 0.070 0.000 2.696 116 G HA2 0.670 4.611 3.960 -0.032 0.000 0.295 116 G HA3 0.670 4.611 3.960 -0.032 0.000 0.295 116 G C -1.365 173.556 174.900 0.034 0.000 1.398 116 G CA -1.037 44.096 45.100 0.054 0.000 0.920 116 G HN 0.902 nan 8.290 nan 0.000 0.492 117 L N 0.380 121.605 121.223 0.003 0.000 2.416 117 L HA 0.749 5.069 4.340 -0.032 0.000 0.262 117 L C 0.237 177.039 176.870 -0.113 0.000 1.093 117 L CA -0.744 54.046 54.840 -0.083 0.000 0.801 117 L CB 1.790 43.809 42.059 -0.066 0.000 1.191 117 L HN 0.431 nan 8.230 nan 0.000 0.459 118 S N -0.422 115.072 115.700 -0.343 0.000 2.548 118 S HA 0.819 5.269 4.470 -0.032 0.000 0.276 118 S C -0.204 174.154 174.600 -0.403 0.000 1.129 118 S CA -0.631 57.282 58.200 -0.478 0.000 0.931 118 S CB 2.068 64.853 63.200 -0.691 0.000 1.068 118 S HN 0.919 nan 8.310 nan 0.000 0.480 119 G N 0.912 109.464 108.800 -0.412 0.000 2.827 119 G HA2 0.650 4.590 3.960 -0.032 0.000 0.296 119 G HA3 0.650 4.590 3.960 -0.032 0.000 0.296 119 G C -2.034 172.762 174.900 -0.173 0.000 1.362 119 G CA -0.419 44.546 45.100 -0.225 0.000 0.809 119 G HN 0.624 nan 8.290 nan 0.000 0.522 120 H N -0.159 118.837 119.070 -0.123 0.000 2.782 120 H HA 0.391 4.927 4.556 -0.033 0.000 0.347 120 H C -2.064 173.184 175.328 -0.134 0.000 1.038 120 H CA -1.527 54.476 56.048 -0.075 0.000 1.255 120 H CB 3.010 32.797 29.762 0.042 0.000 1.623 120 H HN 0.097 nan 8.280 nan 0.000 0.525 121 P HA -0.075 nan 4.420 nan 0.000 0.218 121 P C -0.174 176.847 177.300 -0.465 0.000 1.148 121 P CA 1.397 64.221 63.100 -0.460 0.000 0.822 121 P CB 0.080 31.288 31.700 -0.820 0.000 0.784 122 F N -3.209 117.037 119.950 0.492 0.000 2.597 122 F HA 0.267 4.775 4.527 -0.032 0.000 0.336 122 F C 0.211 176.013 175.800 0.004 0.000 1.432 122 F CA -1.193 56.929 58.000 0.204 0.000 1.120 122 F CB -0.288 38.788 39.000 0.127 0.000 1.253 122 F HN -0.205 nan 8.300 nan 0.000 0.546 123 Y N 2.060 122.334 120.300 -0.042 0.000 2.610 123 Y HA 0.027 4.558 4.550 -0.032 0.000 0.332 123 Y C 0.844 176.633 175.900 -0.185 0.000 1.201 123 Y CA -0.031 57.945 58.100 -0.207 0.000 1.465 123 Y CB 0.450 38.794 38.460 -0.193 0.000 1.283 123 Y HN 0.271 nan 8.280 nan 0.000 0.563 124 N N 6.342 124.828 118.700 -0.357 0.000 2.807 124 N HA 0.048 4.768 4.740 -0.032 0.000 0.259 124 N C -1.315 174.099 175.510 -0.160 0.000 1.149 124 N CA -0.079 52.837 53.050 -0.223 0.000 1.042 124 N CB -0.221 38.104 38.487 -0.270 0.000 1.367 124 N HN 0.589 nan 8.380 nan 0.000 0.516 125 K N 4.099 124.470 120.400 -0.048 0.000 2.521 125 K HA 0.122 4.422 4.320 -0.032 0.000 0.248 125 K C 0.535 177.074 176.600 -0.103 0.000 0.978 125 K CA -0.605 55.616 56.287 -0.109 0.000 0.947 125 K CB 0.899 33.150 32.500 -0.414 0.000 1.165 125 K HN 0.232 nan 8.250 nan 0.000 0.445 126 L N 3.860 125.070 121.223 -0.023 0.000 1.943 126 L HA -0.094 4.227 4.340 -0.032 0.000 0.215 126 L C -0.184 176.698 176.870 0.020 0.000 1.074 126 L CA 2.282 57.124 54.840 0.004 0.000 0.759 126 L CB -0.146 41.931 42.059 0.030 0.000 0.888 126 L HN 0.927 nan 8.230 nan 0.000 0.433 127 D N -3.630 116.826 120.400 0.093 0.000 2.738 127 D HA 0.218 4.839 4.640 -0.032 0.000 0.308 127 D C -1.614 174.881 176.300 0.326 0.000 1.311 127 D CA -0.628 53.460 54.000 0.147 0.000 0.799 127 D CB 0.124 40.997 40.800 0.121 0.000 1.332 127 D HN 0.035 nan 8.370 nan 0.000 0.441 128 D N -0.895 119.696 120.400 0.319 0.000 2.380 128 D HA 0.350 4.971 4.640 -0.032 0.000 0.230 128 D C 0.476 176.948 176.300 0.286 0.000 1.154 128 D CA -0.370 53.876 54.000 0.411 0.000 0.859 128 D CB 0.854 41.840 40.800 0.310 0.000 1.045 128 D HN 0.428 nan 8.370 nan 0.000 0.495 129 T N 0.159 114.905 114.554 0.320 0.000 3.206 129 T HA 0.088 4.419 4.350 -0.032 0.000 0.253 129 T C 1.204 176.028 174.700 0.208 0.000 1.042 129 T CA -0.349 61.903 62.100 0.254 0.000 0.931 129 T CB 0.148 69.207 68.868 0.318 0.000 1.029 129 T HN 0.508 nan 8.240 nan 0.000 0.564 130 E N 2.000 122.302 120.200 0.170 0.000 2.112 130 E HA -0.071 4.260 4.350 -0.032 0.000 0.190 130 E C 0.954 177.568 176.600 0.024 0.000 0.979 130 E CA 1.189 57.631 56.400 0.071 0.000 0.814 130 E CB 0.237 29.782 29.700 -0.257 0.000 0.762 130 E HN 0.655 nan 8.360 nan 0.000 0.460 131 S N -0.512 115.198 115.700 0.017 0.000 3.868 131 S HA -0.018 4.432 4.470 -0.032 0.000 0.115 131 S C -0.195 174.390 174.600 -0.024 0.000 0.838 131 S CA -0.008 58.182 58.200 -0.017 0.000 0.958 131 S CB -1.136 62.023 63.200 -0.068 0.000 1.035 131 S HN 0.237 nan 8.310 nan 0.000 0.700 132 S N 1.626 117.347 115.700 0.035 0.000 2.691 132 S HA -0.107 4.343 4.470 -0.032 0.000 0.320 132 S C 1.129 175.739 174.600 0.016 0.000 1.241 132 S CA 0.356 58.590 58.200 0.056 0.000 1.028 132 S CB -0.223 63.035 63.200 0.097 0.000 0.726 132 S HN 0.471 nan 8.310 nan 0.000 0.488 133 H N 2.376 121.471 119.070 0.041 0.000 2.357 133 H HA -0.109 4.429 4.556 -0.031 0.000 0.296 133 H C 1.276 176.623 175.328 0.030 0.000 1.108 133 H CA 2.033 58.100 56.048 0.031 0.000 1.273 133 H CB -0.286 29.493 29.762 0.028 0.000 1.367 133 H HN 0.878 nan 8.280 nan 0.000 0.498 134 A N -1.130 121.778 122.820 0.147 0.000 4.812 134 A HA 0.624 4.924 4.320 -0.032 0.000 0.246 134 A C 0.010 177.643 177.584 0.082 0.000 0.986 134 A CA 0.095 52.192 52.037 0.100 0.000 0.616 134 A CB -0.328 18.729 19.000 0.095 0.000 1.826 134 A HN 0.334 nan 8.150 nan 0.000 0.887 135 A N -0.739 122.121 122.820 0.066 0.000 2.180 135 A HA 0.589 4.890 4.320 -0.032 0.000 0.287 135 A C 0.765 178.386 177.584 0.063 0.000 1.417 135 A CA 1.455 53.526 52.037 0.056 0.000 0.858 135 A CB -0.732 18.293 19.000 0.042 0.000 1.208 135 A HN 2.337 nan 8.150 nan 0.000 0.522 136 T N -3.597 110.989 114.554 0.052 0.000 2.693 136 T HA 0.531 4.861 4.350 -0.032 0.000 0.304 136 T C 0.022 174.746 174.700 0.039 0.000 1.471 136 T CA -0.131 62.001 62.100 0.054 0.000 0.993 136 T CB 0.125 69.033 68.868 0.066 0.000 1.554 136 T HN 1.731 nan 8.240 nan 0.000 0.496 137 S N 0.875 116.597 115.700 0.036 0.000 2.586 137 S HA 0.099 4.550 4.470 -0.032 0.000 0.256 137 S C 0.260 174.871 174.600 0.018 0.000 1.392 137 S CA -0.078 58.136 58.200 0.024 0.000 0.983 137 S CB -0.578 62.634 63.200 0.020 0.000 0.897 137 S HN 1.125 nan 8.310 nan 0.000 0.566 138 N N -0.906 117.801 118.700 0.011 0.000 2.518 138 N HA 0.247 4.967 4.740 -0.032 0.000 0.283 138 N C -0.076 175.434 175.510 0.001 0.000 1.119 138 N CA -0.794 52.260 53.050 0.006 0.000 0.983 138 N CB 0.990 39.480 38.487 0.005 0.000 1.139 138 N HN 0.405 nan 8.380 nan 0.000 0.465 139 V N 2.637 122.549 119.914 -0.002 0.000 3.413 139 V HA -0.040 4.060 4.120 -0.032 0.000 0.344 139 V C 1.858 177.945 176.094 -0.012 0.000 1.225 139 V CA 0.587 62.882 62.300 -0.009 0.000 1.324 139 V CB -1.880 29.935 31.823 -0.013 0.000 1.161 139 V HN 0.847 nan 8.190 nan 0.000 0.432 140 S N 0.727 116.422 115.700 -0.009 0.000 2.363 140 S HA -0.241 4.209 4.470 -0.032 0.000 0.218 140 S C 1.546 176.136 174.600 -0.016 0.000 1.035 140 S CA 1.973 60.167 58.200 -0.010 0.000 1.043 140 S CB 0.050 63.246 63.200 -0.007 0.000 0.986 140 S HN 0.710 nan 8.310 nan 0.000 0.423 141 E N -0.493 119.697 120.200 -0.017 0.000 3.575 141 E HA 0.123 4.454 4.350 -0.032 0.000 0.263 141 E C -1.329 175.252 176.600 -0.031 0.000 1.230 141 E CA 0.240 56.625 56.400 -0.024 0.000 1.875 141 E CB 0.627 30.312 29.700 -0.024 0.000 1.961 141 E HN 0.384 nan 8.360 nan 0.000 0.904 142 D N 0.431 120.815 120.400 -0.027 0.000 2.479 142 D HA 0.268 4.888 4.640 -0.032 0.000 0.246 142 D C -0.618 175.675 176.300 -0.011 0.000 1.336 142 D CA -0.206 53.775 54.000 -0.033 0.000 0.967 142 D CB 1.971 42.743 40.800 -0.047 0.000 1.275 142 D HN 0.022 nan 8.370 nan 0.000 0.577 143 V N 3.767 123.676 119.914 -0.007 0.000 3.166 143 V HA 0.289 4.389 4.120 -0.032 0.000 0.332 143 V C 1.036 177.135 176.094 0.009 0.000 1.434 143 V CA -0.375 61.926 62.300 0.001 0.000 1.121 143 V CB -0.314 31.505 31.823 -0.008 0.000 1.062 143 V HN 0.335 nan 8.190 nan 0.000 0.489 144 R N 1.908 122.429 120.500 0.035 0.000 2.489 144 R HA 0.259 4.580 4.340 -0.032 0.000 0.287 144 R C -0.565 175.789 176.300 0.090 0.000 1.053 144 R CA 0.403 56.545 56.100 0.069 0.000 1.036 144 R CB 0.441 30.820 30.300 0.133 0.000 0.966 144 R HN 0.385 nan 8.270 nan 0.000 0.432 145 D N 0.781 121.199 120.400 0.030 0.000 2.414 145 D HA 0.091 4.712 4.640 -0.032 0.000 0.241 145 D C -0.642 175.630 176.300 -0.047 0.000 1.008 145 D CA -0.629 53.359 54.000 -0.020 0.000 1.001 145 D CB 1.243 41.987 40.800 -0.093 0.000 1.277 145 D HN 0.347 nan 8.370 nan 0.000 0.538 146 N N 1.249 119.893 118.700 -0.094 0.000 2.462 146 N HA 0.238 4.959 4.740 -0.032 0.000 0.242 146 N C -0.943 174.477 175.510 -0.150 0.000 1.010 146 N CA -0.300 52.676 53.050 -0.123 0.000 0.939 146 N CB 0.647 39.047 38.487 -0.145 0.000 1.127 146 N HN 0.252 nan 8.380 nan 0.000 0.509 147 V N 1.218 121.019 119.914 -0.188 0.000 2.960 147 V HA 0.863 4.963 4.120 -0.032 0.000 0.315 147 V C 0.070 176.032 176.094 -0.220 0.000 1.087 147 V CA -0.775 61.357 62.300 -0.280 0.000 0.982 147 V CB 1.346 32.823 31.823 -0.577 0.000 1.039 147 V HN 0.676 nan 8.190 nan 0.000 0.437 148 S N 1.831 117.423 115.700 -0.180 0.000 2.745 148 S HA 0.959 5.410 4.470 -0.032 0.000 0.306 148 S C -0.705 173.816 174.600 -0.132 0.000 1.137 148 S CA -0.426 57.680 58.200 -0.158 0.000 0.900 148 S CB 1.775 64.902 63.200 -0.121 0.000 1.176 148 S HN 2.223 nan 8.310 nan 0.000 0.520 149 V N 1.187 121.000 119.914 -0.168 0.000 3.036 149 V HA 0.371 4.472 4.120 -0.032 0.000 0.280 149 V C -2.230 173.708 176.094 -0.260 0.000 1.497 149 V CA -0.686 61.531 62.300 -0.138 0.000 0.982 149 V CB 2.102 33.921 31.823 -0.006 0.000 1.171 149 V HN 1.199 nan 8.190 nan 0.000 0.444 150 D N 5.341 125.643 120.400 -0.164 0.000 2.249 150 D HA 0.292 4.913 4.640 -0.032 0.000 0.246 150 D C -0.219 176.021 176.300 -0.101 0.000 1.114 150 D CA -0.115 53.795 54.000 -0.150 0.000 0.854 150 D CB 0.902 41.688 40.800 -0.024 0.000 1.132 150 D HN 0.555 nan 8.370 nan 0.000 0.461 151 Y N 0.478 120.701 120.300 -0.128 0.000 2.258 151 Y HA 0.015 4.544 4.550 -0.035 0.000 0.345 151 Y C 1.674 177.550 175.900 -0.039 0.000 1.303 151 Y CA -0.906 57.071 58.100 -0.205 0.000 1.537 151 Y CB 0.838 38.898 38.460 -0.667 0.000 1.383 151 Y HN 0.294 nan 8.280 nan 0.000 0.606 152 K N 1.709 122.207 120.400 0.164 0.000 2.380 152 K HA -0.053 4.248 4.320 -0.032 0.000 0.267 152 K C -0.589 176.150 176.600 0.232 0.000 0.990 152 K CA -0.345 56.016 56.287 0.124 0.000 0.946 152 K CB 0.515 33.052 32.500 0.060 0.000 0.937 152 K HN 0.693 nan 8.250 nan 0.000 0.491 153 Q N 2.567 122.475 119.800 0.181 0.000 2.290 153 Q HA 0.244 4.564 4.340 -0.032 0.000 0.259 153 Q C -1.451 174.642 176.000 0.154 0.000 0.941 153 Q CA -0.449 55.468 55.803 0.190 0.000 0.912 153 Q CB 1.549 30.372 28.738 0.142 0.000 1.244 153 Q HN 0.695 nan 8.270 nan 0.000 0.441 154 T N 3.666 118.314 114.554 0.157 0.000 2.916 154 T HA 0.425 4.756 4.350 -0.032 0.000 0.305 154 T C -1.261 173.502 174.700 0.106 0.000 1.119 154 T CA -0.750 61.429 62.100 0.131 0.000 1.008 154 T CB 1.771 70.735 68.868 0.161 0.000 1.129 154 T HN 0.610 nan 8.240 nan 0.000 0.480 155 Q N 1.846 121.693 119.800 0.079 0.000 2.263 155 Q HA 0.655 4.976 4.340 -0.032 0.000 0.266 155 Q C -1.470 174.570 176.000 0.067 0.000 1.002 155 Q CA -0.896 54.944 55.803 0.062 0.000 0.790 155 Q CB 2.407 31.065 28.738 -0.133 0.000 1.272 155 Q HN 0.639 nan 8.270 nan 0.000 0.435 156 L N -0.895 120.447 121.223 0.197 0.000 2.469 156 L HA 0.986 5.307 4.340 -0.032 0.000 0.256 156 L C -1.528 175.536 176.870 0.324 0.000 1.006 156 L CA -0.747 54.208 54.840 0.193 0.000 0.832 156 L CB 2.375 44.551 42.059 0.195 0.000 1.421 156 L HN 0.700 nan 8.230 nan 0.000 0.410 157 C N 2.983 122.431 119.300 0.246 0.000 2.716 157 C HA 0.804 5.244 4.460 -0.032 0.000 0.366 157 C C -1.152 173.958 174.990 0.200 0.000 1.073 157 C CA -0.363 58.828 59.018 0.289 0.000 1.260 157 C CB 0.272 28.260 27.740 0.413 0.000 1.755 157 C HN 0.839 nan 8.230 nan 0.000 0.475 158 I N 6.478 127.178 120.570 0.216 0.000 2.466 158 I HA 0.469 4.620 4.170 -0.032 0.000 0.289 158 I C -0.590 175.648 176.117 0.201 0.000 1.026 158 I CA -0.547 60.860 61.300 0.179 0.000 1.078 158 I CB 1.664 39.716 38.000 0.087 0.000 1.249 158 I HN 0.482 nan 8.210 nan 0.000 0.429 159 L N 5.013 126.387 121.223 0.252 0.000 2.334 159 L HA 0.915 5.235 4.340 -0.032 0.000 0.273 159 L C 0.298 176.918 176.870 -0.417 0.000 1.013 159 L CA -0.423 54.499 54.840 0.137 0.000 0.816 159 L CB 2.004 44.307 42.059 0.408 0.000 1.278 159 L HN 0.807 nan 8.230 nan 0.000 0.431 160 G N -0.169 108.270 108.800 -0.602 0.000 2.550 160 G HA2 0.356 4.297 3.960 -0.032 0.000 0.293 160 G HA3 0.356 4.297 3.960 -0.032 0.000 0.293 160 G C -0.898 173.798 174.900 -0.339 0.000 1.402 160 G CA -0.307 44.133 45.100 -1.099 0.000 0.784 160 G HN 0.729 nan 8.290 nan 0.000 0.482 161 C N -0.970 118.247 119.300 -0.138 0.000 2.513 161 C HA 0.858 5.299 4.460 -0.032 0.000 0.281 161 C C 0.568 175.686 174.990 0.214 0.000 1.501 161 C CA -0.315 58.832 59.018 0.215 0.000 1.749 161 C CB -1.574 26.356 27.740 0.316 0.000 2.955 161 C HN 1.795 nan 8.230 nan 0.000 0.532 162 A N 1.088 123.888 122.820 -0.032 0.000 2.594 162 A HA 0.838 5.138 4.320 -0.032 0.000 0.296 162 A C -3.103 173.865 177.584 -1.026 0.000 1.056 162 A CA -0.785 50.982 52.037 -0.449 0.000 0.693 162 A CB 0.739 19.631 19.000 -0.179 0.000 1.278 162 A HN 0.196 nan 8.150 nan 0.000 0.408 163 P HA 0.352 nan 4.420 nan 0.000 0.268 163 P C 0.163 177.109 177.300 -0.590 0.000 1.208 163 P CA 0.450 62.781 63.100 -1.281 0.000 0.777 163 P CB 0.790 31.749 31.700 -1.235 0.000 0.875 164 A N 2.690 125.268 122.820 -0.403 0.000 2.304 164 A HA 0.476 4.776 4.320 -0.032 0.000 0.271 164 A C 0.052 177.482 177.584 -0.256 0.000 1.091 164 A CA -0.377 51.492 52.037 -0.280 0.000 0.812 164 A CB -0.191 18.680 19.000 -0.215 0.000 1.056 164 A HN 0.427 nan 8.150 nan 0.000 0.489 165 I N 0.562 120.994 120.570 -0.231 0.000 2.392 165 I HA 0.516 4.666 4.170 -0.032 0.000 0.295 165 I C 0.907 176.885 176.117 -0.231 0.000 0.985 165 I CA 0.304 61.481 61.300 -0.204 0.000 1.221 165 I CB 1.705 39.611 38.000 -0.157 0.000 1.366 165 I HN 0.676 nan 8.210 nan 0.000 0.467 166 G N 4.100 112.781 108.800 -0.199 0.000 2.441 166 G HA2 0.682 4.623 3.960 -0.032 0.000 0.334 166 G HA3 0.682 4.623 3.960 -0.032 0.000 0.334 166 G C -1.071 173.779 174.900 -0.083 0.000 1.161 166 G CA -0.444 44.555 45.100 -0.168 0.000 0.935 166 G HN 0.647 nan 8.290 nan 0.000 0.488 167 E N -0.115 120.067 120.200 -0.030 0.000 2.244 167 E HA 0.648 4.979 4.350 -0.032 0.000 0.266 167 E C -1.092 175.538 176.600 0.050 0.000 0.914 167 E CA -0.925 55.443 56.400 -0.053 0.000 0.794 167 E CB 2.125 31.767 29.700 -0.097 0.000 1.210 167 E HN 0.740 nan 8.360 nan 0.000 0.414 168 H N 0.371 119.295 119.070 -0.243 0.000 2.981 168 H HA 0.271 4.807 4.556 -0.033 0.000 0.327 168 H C -1.890 173.168 175.328 -0.449 0.000 1.342 168 H CA -1.202 54.699 56.048 -0.245 0.000 1.123 168 H CB 0.255 29.980 29.762 -0.062 0.000 1.851 168 H HN 0.636 nan 8.280 nan 0.000 0.531 169 W N 1.101 122.360 121.300 -0.068 0.000 2.351 169 W HA 0.689 5.328 4.660 -0.034 0.000 0.311 169 W C -0.037 176.389 176.519 -0.155 0.000 1.168 169 W CA -0.098 57.156 57.345 -0.152 0.000 1.200 169 W CB 1.649 31.058 29.460 -0.085 0.000 1.221 169 W HN 0.815 nan 8.180 nan 0.000 0.519 170 A N 2.929 125.736 122.820 -0.020 0.000 2.435 170 A HA 0.576 4.876 4.320 -0.032 0.000 0.296 170 A C -0.898 176.715 177.584 0.050 0.000 1.147 170 A CA -1.152 50.893 52.037 0.013 0.000 0.775 170 A CB 1.378 20.336 19.000 -0.069 0.000 1.340 170 A HN 0.544 nan 8.150 nan 0.000 0.427 171 K N 1.297 121.721 120.400 0.040 0.000 2.351 171 K HA 0.262 4.563 4.320 -0.032 0.000 0.287 171 K C 0.644 177.259 176.600 0.024 0.000 1.068 171 K CA 0.293 56.599 56.287 0.032 0.000 0.998 171 K CB -0.254 32.260 32.500 0.024 0.000 0.968 171 K HN 0.872 nan 8.250 nan 0.000 0.464 172 G N 3.154 111.972 108.800 0.031 0.000 2.562 172 G HA2 -0.059 3.882 3.960 -0.032 0.000 0.233 172 G HA3 -0.059 3.882 3.960 -0.032 0.000 0.233 172 G C -0.358 174.549 174.900 0.012 0.000 1.266 172 G CA -0.420 44.693 45.100 0.021 0.000 0.852 172 G HN 0.661 nan 8.290 nan 0.000 0.581 173 T N 1.171 115.729 114.554 0.006 0.000 2.853 173 T HA 0.398 4.729 4.350 -0.032 0.000 0.298 173 T C 0.864 175.567 174.700 0.004 0.000 0.978 173 T CA 0.348 62.450 62.100 0.003 0.000 1.152 173 T CB 1.027 69.894 68.868 -0.000 0.000 0.914 173 T HN 0.868 nan 8.240 nan 0.000 0.539 174 A N 4.205 127.027 122.820 0.003 0.000 2.491 174 A HA 0.424 4.724 4.320 -0.032 0.000 0.261 174 A C 0.997 178.582 177.584 0.002 0.000 1.101 174 A CA -0.713 51.326 52.037 0.003 0.000 0.772 174 A CB -0.266 18.735 19.000 0.002 0.000 1.043 174 A HN 0.945 nan 8.150 nan 0.000 0.501 175 S N 2.496 118.197 115.700 0.002 0.000 2.562 175 S HA 0.147 4.597 4.470 -0.032 0.000 0.281 175 S C 0.953 175.553 174.600 0.000 0.000 1.333 175 S CA 0.135 58.336 58.200 0.001 0.000 1.052 175 S CB 0.869 64.070 63.200 0.001 0.000 0.884 175 S HN 0.788 nan 8.310 nan 0.000 0.506 176 K N 1.809 122.209 120.400 -0.000 0.000 2.076 176 K HA -0.082 4.218 4.320 -0.032 0.000 0.204 176 K C 2.229 178.829 176.600 -0.001 0.000 1.051 176 K CA 1.247 57.534 56.287 -0.001 0.000 0.949 176 K CB -0.747 31.753 32.500 -0.001 0.000 0.726 176 K HN 0.706 nan 8.250 nan 0.000 0.443 177 S N 0.704 116.403 115.700 -0.001 0.000 2.370 177 S HA -0.113 4.337 4.470 -0.032 0.000 0.226 177 S C 1.425 176.025 174.600 -0.001 0.000 1.033 177 S CA 0.622 58.822 58.200 -0.001 0.000 1.011 177 S CB -0.181 63.019 63.200 -0.000 0.000 0.852 177 S HN 0.167 nan 8.310 nan 0.000 0.457 178 R N 2.494 122.993 120.500 -0.001 0.000 2.564 178 R HA 0.446 4.767 4.340 -0.032 0.000 0.282 178 R C -2.947 173.353 176.300 -0.001 0.000 1.573 178 R CA -2.345 53.754 56.100 -0.001 0.000 1.588 178 R CB 0.735 31.035 30.300 -0.001 0.000 1.154 178 R HN 0.395 nan 8.270 nan 0.000 0.606 179 P HA 0.077 nan 4.420 nan 0.000 0.271 179 P C -0.646 176.653 177.300 -0.002 0.000 1.244 179 P CA -0.564 62.535 63.100 -0.002 0.000 0.793 179 P CB 1.142 32.841 31.700 -0.002 0.000 0.984 180 L N 1.236 122.457 121.223 -0.002 0.000 2.343 180 L HA 0.266 4.587 4.340 -0.032 0.000 0.278 180 L C -0.026 176.842 176.870 -0.004 0.000 0.996 180 L CA -0.281 54.557 54.840 -0.003 0.000 0.831 180 L CB 1.113 43.171 42.059 -0.003 0.000 1.232 180 L HN 0.417 nan 8.230 nan 0.000 0.413 181 S N 2.675 118.372 115.700 -0.005 0.000 2.546 181 S HA 0.168 4.619 4.470 -0.032 0.000 0.290 181 S C 0.107 174.703 174.600 -0.006 0.000 1.290 181 S CA -0.482 57.715 58.200 -0.005 0.000 1.069 181 S CB 0.561 63.758 63.200 -0.006 0.000 0.846 181 S HN 0.656 nan 8.310 nan 0.000 0.495 182 Q N 1.942 121.738 119.800 -0.007 0.000 2.283 182 Q HA 0.387 4.707 4.340 -0.032 0.000 0.301 182 Q C 1.365 177.359 176.000 -0.009 0.000 1.063 182 Q CA 1.776 57.574 55.803 -0.008 0.000 0.952 182 Q CB -0.136 28.597 28.738 -0.008 0.000 1.166 182 Q HN 1.267 nan 8.270 nan 0.000 0.381 183 G N 3.296 112.090 108.800 -0.011 0.000 2.349 183 G HA2 -0.224 3.717 3.960 -0.032 0.000 0.213 183 G HA3 -0.224 3.717 3.960 -0.032 0.000 0.213 183 G C -0.260 174.632 174.900 -0.014 0.000 1.044 183 G CA -0.054 45.038 45.100 -0.013 0.000 0.633 183 G HN 0.655 nan 8.290 nan 0.000 0.506 184 D N 0.362 120.755 120.400 -0.012 0.000 2.357 184 D HA 0.447 5.068 4.640 -0.032 0.000 0.242 184 D C 0.753 177.045 176.300 -0.013 0.000 1.153 184 D CA 0.189 54.182 54.000 -0.012 0.000 0.918 184 D CB 1.108 41.902 40.800 -0.010 0.000 1.181 184 D HN 0.503 nan 8.370 nan 0.000 0.435 185 C N 3.263 122.553 119.300 -0.016 0.000 2.499 185 C HA 0.418 4.859 4.460 -0.032 0.000 0.386 185 C C -1.896 173.085 174.990 -0.015 0.000 1.293 185 C CA -1.396 57.611 59.018 -0.019 0.000 1.884 185 C CB -0.639 27.085 27.740 -0.026 0.000 2.509 185 C HN 0.463 nan 8.230 nan 0.000 0.566 186 P HA 0.364 nan 4.420 nan 0.000 0.273 186 P C -2.779 174.517 177.300 -0.005 0.000 1.250 186 P CA -0.795 62.302 63.100 -0.005 0.000 0.793 186 P CB 0.037 31.736 31.700 -0.001 0.000 1.011 187 P HA 0.296 nan 4.420 nan 0.000 0.290 187 P C -0.799 176.524 177.300 0.037 0.000 1.275 187 P CA -0.441 62.665 63.100 0.011 0.000 0.841 187 P CB 0.878 32.587 31.700 0.016 0.000 1.042 188 L N 1.642 122.898 121.223 0.055 0.000 2.357 188 L HA 0.491 4.812 4.340 -0.032 0.000 0.273 188 L C 0.742 177.774 176.870 0.271 0.000 1.080 188 L CA -0.012 54.924 54.840 0.159 0.000 0.803 188 L CB 0.260 42.389 42.059 0.117 0.000 1.174 188 L HN 0.593 nan 8.230 nan 0.000 0.443 189 E N 1.919 122.281 120.200 0.270 0.000 2.275 189 E HA 0.332 4.662 4.350 -0.032 0.000 0.270 189 E C -1.576 174.962 176.600 -0.103 0.000 0.882 189 E CA -0.881 55.604 56.400 0.142 0.000 0.758 189 E CB 2.619 32.333 29.700 0.023 0.000 1.195 189 E HN 0.411 nan 8.360 nan 0.000 0.419 190 L N 4.145 125.110 121.223 -0.430 0.000 2.319 190 L HA 0.338 4.659 4.340 -0.032 0.000 0.280 190 L C -0.872 175.672 176.870 -0.543 0.000 1.099 190 L CA 0.423 54.690 54.840 -0.955 0.000 0.828 190 L CB 0.340 41.755 42.059 -1.074 0.000 1.150 190 L HN 0.420 nan 8.230 nan 0.000 0.442 191 K N 4.252 124.301 120.400 -0.586 0.000 2.376 191 K HA 0.393 4.693 4.320 -0.032 0.000 0.257 191 K C -0.908 175.534 176.600 -0.263 0.000 0.939 191 K CA -0.874 55.182 56.287 -0.385 0.000 0.809 191 K CB 1.222 33.462 32.500 -0.433 0.000 1.121 191 K HN 0.572 nan 8.250 nan 0.000 0.425 192 N N 1.339 119.942 118.700 -0.162 0.000 2.524 192 N HA 0.245 4.965 4.740 -0.032 0.000 0.283 192 N C -0.376 175.100 175.510 -0.056 0.000 1.142 192 N CA 0.236 53.224 53.050 -0.104 0.000 0.984 192 N CB 1.749 40.178 38.487 -0.097 0.000 1.155 192 N HN 0.589 nan 8.380 nan 0.000 0.467 193 T N -1.076 113.450 114.554 -0.046 0.000 2.853 193 T HA 0.360 4.690 4.350 -0.032 0.000 0.311 193 T C -1.101 173.547 174.700 -0.086 0.000 1.307 193 T CA -0.648 61.428 62.100 -0.040 0.000 1.019 193 T CB 0.643 69.516 68.868 0.008 0.000 1.264 193 T HN 0.018 nan 8.240 nan 0.000 0.497 194 V N 3.839 123.702 119.914 -0.085 0.000 2.614 194 V HA 0.340 4.441 4.120 -0.032 0.000 0.291 194 V C 0.448 176.452 176.094 -0.150 0.000 1.049 194 V CA -0.447 61.782 62.300 -0.118 0.000 1.038 194 V CB 0.853 32.626 31.823 -0.084 0.000 0.980 194 V HN 0.731 nan 8.190 nan 0.000 0.481 195 L N 5.955 127.054 121.223 -0.207 0.000 2.342 195 L HA 0.309 4.630 4.340 -0.032 0.000 0.285 195 L C 0.488 177.281 176.870 -0.127 0.000 1.095 195 L CA 0.193 54.858 54.840 -0.292 0.000 0.843 195 L CB 0.098 41.867 42.059 -0.484 0.000 1.201 195 L HN 0.708 nan 8.230 nan 0.000 0.445 196 E N 1.525 121.654 120.200 -0.117 0.000 2.227 196 E HA 0.187 4.518 4.350 -0.032 0.000 0.268 196 E C -0.884 175.717 176.600 0.002 0.000 0.990 196 E CA -0.943 55.425 56.400 -0.053 0.000 0.856 196 E CB 1.385 30.959 29.700 -0.210 0.000 1.159 196 E HN 0.407 nan 8.360 nan 0.000 0.401 197 D N -0.058 120.375 120.400 0.055 0.000 2.401 197 D HA 0.217 4.837 4.640 -0.032 0.000 0.254 197 D C 0.757 177.085 176.300 0.046 0.000 1.192 197 D CA 1.492 55.536 54.000 0.074 0.000 0.885 197 D CB 0.222 41.070 40.800 0.080 0.000 1.147 197 D HN 0.583 nan 8.370 nan 0.000 0.478 198 G N 3.389 112.250 108.800 0.102 0.000 2.231 198 G HA2 -0.213 3.728 3.960 -0.032 0.000 0.206 198 G HA3 -0.213 3.728 3.960 -0.032 0.000 0.206 198 G C -0.048 174.934 174.900 0.137 0.000 0.996 198 G CA -0.107 45.055 45.100 0.103 0.000 0.645 198 G HN 0.620 nan 8.290 nan 0.000 0.498 199 D N 1.915 122.403 120.400 0.147 0.000 2.399 199 D HA 0.385 5.006 4.640 -0.032 0.000 0.241 199 D C 1.243 177.751 176.300 0.347 0.000 1.133 199 D CA 0.219 54.321 54.000 0.169 0.000 0.890 199 D CB 0.491 41.321 40.800 0.050 0.000 1.201 199 D HN 0.058 nan 8.370 nan 0.000 0.432 200 M N 1.312 121.072 119.600 0.266 0.000 2.242 200 M HA 0.134 4.594 4.480 -0.032 0.000 0.344 200 M C 0.269 176.762 176.300 0.321 0.000 1.140 200 M CA -0.590 54.866 55.300 0.259 0.000 1.160 200 M CB 0.684 33.393 32.600 0.181 0.000 1.491 200 M HN 0.138 nan 8.290 nan 0.000 0.459 201 V N -0.814 119.208 119.914 0.180 0.000 3.109 201 V HA 0.462 4.563 4.120 -0.032 0.000 0.317 201 V C -0.014 176.176 176.094 0.161 0.000 1.074 201 V CA -1.205 61.169 62.300 0.124 0.000 1.033 201 V CB 1.106 32.869 31.823 -0.100 0.000 1.111 201 V HN 0.778 nan 8.190 nan 0.000 0.458 202 D N 1.417 121.941 120.400 0.205 0.000 2.401 202 D HA 0.127 4.748 4.640 -0.032 0.000 0.254 202 D C 1.252 177.571 176.300 0.031 0.000 1.192 202 D CA 0.782 54.868 54.000 0.144 0.000 0.885 202 D CB 1.289 42.156 40.800 0.110 0.000 1.147 202 D HN 0.943 nan 8.370 nan 0.000 0.478 203 T N 0.668 115.148 114.554 -0.125 0.000 3.086 203 T HA 0.362 4.693 4.350 -0.032 0.000 0.250 203 T C 1.332 175.904 174.700 -0.214 0.000 1.074 203 T CA 0.301 62.167 62.100 -0.388 0.000 0.988 203 T CB 0.282 68.300 68.868 -1.417 0.000 0.988 203 T HN 0.585 nan 8.240 nan 0.000 0.530 204 G N 0.416 109.165 108.800 -0.085 0.000 2.367 204 G HA2 -0.164 3.776 3.960 -0.032 0.000 0.181 204 G HA3 -0.164 3.776 3.960 -0.032 0.000 0.181 204 G C 0.304 175.078 174.900 -0.211 0.000 1.000 204 G CA -0.218 44.800 45.100 -0.138 0.000 0.693 204 G HN 0.480 nan 8.290 nan 0.000 0.480 205 Y N 1.787 122.100 120.300 0.023 0.000 2.493 205 Y HA 0.464 4.997 4.550 -0.029 0.000 0.275 205 Y C 1.651 177.707 175.900 0.260 0.000 1.183 205 Y CA 0.744 58.934 58.100 0.150 0.000 1.258 205 Y CB 0.493 39.035 38.460 0.136 0.000 1.108 205 Y HN 1.014 nan 8.280 nan 0.000 0.521 206 G N 0.525 109.488 108.800 0.271 0.000 2.730 206 G HA2 0.069 4.009 3.960 -0.032 0.000 0.686 206 G HA3 0.069 4.009 3.960 -0.032 0.000 0.686 206 G C -0.596 174.477 174.900 0.290 0.000 1.343 206 G CA -0.747 44.483 45.100 0.217 0.000 0.826 206 G HN 0.547 nan 8.290 nan 0.000 0.582 207 A N 1.327 124.299 122.820 0.253 0.000 2.650 207 A HA 0.784 5.084 4.320 -0.032 0.000 0.320 207 A C 0.622 178.374 177.584 0.279 0.000 1.466 207 A CA 0.983 53.189 52.037 0.281 0.000 1.099 207 A CB -0.642 18.529 19.000 0.284 0.000 1.136 207 A HN 1.988 nan 8.150 nan 0.000 0.532 208 M N -0.199 119.465 119.600 0.106 0.000 3.385 208 M HA 0.574 5.034 4.480 -0.032 0.000 0.286 208 M C -1.609 174.606 176.300 -0.142 0.000 1.381 208 M CA -0.861 54.446 55.300 0.012 0.000 0.813 208 M CB 1.253 33.732 32.600 -0.201 0.000 1.731 208 M HN 0.180 nan 8.290 nan 0.000 0.460 209 D N 0.531 120.876 120.400 -0.092 0.000 2.493 209 D HA 0.386 5.007 4.640 -0.032 0.000 0.235 209 D C -0.138 176.084 176.300 -0.130 0.000 1.117 209 D CA -0.343 53.641 54.000 -0.028 0.000 0.930 209 D CB 0.092 40.963 40.800 0.119 0.000 1.010 209 D HN 0.547 nan 8.370 nan 0.000 0.514 210 F N 1.083 121.073 119.950 0.067 0.000 2.269 210 F HA -0.186 4.322 4.527 -0.033 0.000 0.301 210 F C 2.703 178.519 175.800 0.027 0.000 1.082 210 F CA 1.023 59.044 58.000 0.035 0.000 1.360 210 F CB -0.212 38.793 39.000 0.007 0.000 1.041 210 F HN 0.336 nan 8.300 nan 0.000 0.512 211 S N -0.968 114.844 115.700 0.188 0.000 2.406 211 S HA -0.165 4.286 4.470 -0.032 0.000 0.228 211 S C 1.961 176.607 174.600 0.077 0.000 1.020 211 S CA 1.380 59.654 58.200 0.123 0.000 0.965 211 S CB -1.147 62.114 63.200 0.102 0.000 0.798 211 S HN 0.468 nan 8.310 nan 0.000 0.488 212 T N -1.753 112.837 114.554 0.060 0.000 3.044 212 T HA 0.322 4.653 4.350 -0.032 0.000 0.250 212 T C 1.316 176.030 174.700 0.023 0.000 1.081 212 T CA -0.043 62.081 62.100 0.039 0.000 1.040 212 T CB -0.100 68.793 68.868 0.042 0.000 0.962 212 T HN 0.219 nan 8.240 nan 0.000 0.506 213 L N 0.479 121.708 121.223 0.010 0.000 2.556 213 L HA 0.477 4.798 4.340 -0.032 0.000 0.226 213 L C 0.475 177.347 176.870 0.004 0.000 1.089 213 L CA 0.672 55.505 54.840 -0.011 0.000 0.864 213 L CB -0.034 41.989 42.059 -0.060 0.000 1.067 213 L HN 0.367 nan 8.230 nan 0.000 0.477 214 Q N -0.638 119.184 119.800 0.037 0.000 2.394 214 Q HA 0.168 4.488 4.340 -0.032 0.000 0.261 214 Q C -0.201 175.815 176.000 0.027 0.000 1.023 214 Q CA -0.323 55.504 55.803 0.040 0.000 0.720 214 Q CB 1.454 30.246 28.738 0.089 0.000 1.241 214 Q HN -0.027 nan 8.270 nan 0.000 0.483 215 D N 0.531 120.934 120.400 0.005 0.000 2.219 215 D HA -0.116 4.505 4.640 -0.032 0.000 0.205 215 D C 1.328 177.621 176.300 -0.011 0.000 0.970 215 D CA 1.341 55.340 54.000 -0.001 0.000 0.851 215 D CB 0.327 41.121 40.800 -0.010 0.000 0.943 215 D HN 0.449 nan 8.370 nan 0.000 0.488 216 T N 0.302 114.838 114.554 -0.029 0.000 2.788 216 T HA -0.144 4.187 4.350 -0.032 0.000 0.268 216 T C 0.970 175.641 174.700 -0.048 0.000 1.044 216 T CA 1.136 63.204 62.100 -0.054 0.000 1.139 216 T CB -0.073 68.742 68.868 -0.090 0.000 0.867 216 T HN 0.205 nan 8.240 nan 0.000 0.454 217 K N -1.314 119.067 120.400 -0.032 0.000 3.339 217 K HA -0.146 4.155 4.320 -0.032 0.000 0.299 217 K C -0.189 176.367 176.600 -0.074 0.000 1.270 217 K CA 0.502 56.793 56.287 0.006 0.000 0.875 217 K CB -2.200 30.331 32.500 0.052 0.000 1.298 217 K HN 0.448 nan 8.250 nan 0.000 0.485 218 C N -0.098 119.047 119.300 -0.259 0.000 3.613 218 C HA 0.136 4.576 4.460 -0.032 0.000 0.277 218 C C 1.312 175.947 174.990 -0.593 0.000 2.235 218 C CA -0.716 57.928 59.018 -0.624 0.000 1.657 218 C CB 0.164 27.642 27.740 -0.436 0.000 3.412 218 C HN 0.310 nan 8.230 nan 0.000 0.432 219 E N 1.361 121.296 120.200 -0.441 0.000 2.340 219 E HA 0.120 4.451 4.350 -0.032 0.000 0.194 219 E C 0.809 177.024 176.600 -0.642 0.000 0.996 219 E CA 0.940 57.057 56.400 -0.471 0.000 0.869 219 E CB 0.529 30.115 29.700 -0.190 0.000 0.835 219 E HN 0.643 nan 8.360 nan 0.000 0.493 220 V N -2.638 116.950 119.914 -0.543 0.000 3.206 220 V HA 0.553 4.654 4.120 -0.032 0.000 0.305 220 V C -2.997 172.968 176.094 -0.216 0.000 1.257 220 V CA -3.001 58.942 62.300 -0.594 0.000 1.057 220 V CB 1.744 32.996 31.823 -0.952 0.000 1.075 220 V HN -0.291 nan 8.190 nan 0.000 0.443 221 P HA 0.243 nan 4.420 nan 0.000 0.269 221 P C 0.810 178.114 177.300 0.007 0.000 1.215 221 P CA -0.172 62.955 63.100 0.044 0.000 0.780 221 P CB 0.469 32.189 31.700 0.033 0.000 0.898 222 L N 2.349 123.549 121.223 -0.038 0.000 2.103 222 L HA -0.244 4.076 4.340 -0.032 0.000 0.215 222 L C 1.673 178.566 176.870 0.038 0.000 1.080 222 L CA 2.164 56.984 54.840 -0.034 0.000 0.764 222 L CB -1.485 40.515 42.059 -0.098 0.000 0.890 222 L HN 0.502 nan 8.230 nan 0.000 0.435 223 D N -1.484 118.924 120.400 0.015 0.000 2.363 223 D HA -0.120 4.501 4.640 -0.032 0.000 0.220 223 D C 1.631 177.985 176.300 0.090 0.000 0.994 223 D CA 1.074 55.149 54.000 0.124 0.000 0.890 223 D CB -0.304 40.625 40.800 0.215 0.000 0.906 223 D HN 0.614 nan 8.370 nan 0.000 0.530 224 I N -4.013 116.548 120.570 -0.015 0.000 4.655 224 I HA 0.250 4.401 4.170 -0.032 0.000 0.333 224 I C 1.926 177.951 176.117 -0.153 0.000 1.312 224 I CA -0.643 60.595 61.300 -0.104 0.000 1.270 224 I CB 0.036 37.847 38.000 -0.315 0.000 1.318 224 I HN -0.009 nan 8.210 nan 0.000 0.456 225 C N 1.941 121.171 119.300 -0.117 0.000 2.369 225 C HA -0.220 4.221 4.460 -0.032 0.000 0.273 225 C C 2.101 177.125 174.990 0.057 0.000 1.172 225 C CA 1.876 60.861 59.018 -0.054 0.000 1.791 225 C CB -0.823 26.962 27.740 0.074 0.000 2.086 225 C HN 0.690 nan 8.230 nan 0.000 0.459 226 Q N 0.523 120.378 119.800 0.091 0.000 2.165 226 Q HA 0.352 4.672 4.340 -0.032 0.000 0.245 226 Q C 0.115 176.193 176.000 0.129 0.000 0.841 226 Q CA 0.108 55.980 55.803 0.115 0.000 1.078 226 Q CB 0.975 29.767 28.738 0.090 0.000 1.169 226 Q HN 0.793 nan 8.270 nan 0.000 0.475 227 S N -0.719 115.079 115.700 0.164 0.000 2.841 227 S HA 0.672 5.123 4.470 -0.032 0.000 0.318 227 S C -0.048 174.678 174.600 0.211 0.000 1.127 227 S CA -0.674 57.616 58.200 0.151 0.000 0.883 227 S CB 1.496 64.772 63.200 0.126 0.000 1.271 227 S HN 0.156 nan 8.310 nan 0.000 0.567 228 I N 0.887 121.532 120.570 0.125 0.000 2.436 228 I HA 0.347 4.498 4.170 -0.032 0.000 0.289 228 I C -1.074 175.101 176.117 0.096 0.000 1.010 228 I CA -0.463 60.867 61.300 0.049 0.000 1.098 228 I CB 1.335 39.212 38.000 -0.204 0.000 1.266 228 I HN 0.499 nan 8.210 nan 0.000 0.434 229 C N 6.306 125.733 119.300 0.212 0.000 2.285 229 C HA 0.424 4.865 4.460 -0.032 0.000 0.335 229 C C 0.389 175.504 174.990 0.208 0.000 1.267 229 C CA -0.734 58.435 59.018 0.252 0.000 1.762 229 C CB -0.210 27.755 27.740 0.375 0.000 2.365 229 C HN 0.683 nan 8.230 nan 0.000 0.527 230 K N 1.881 122.430 120.400 0.248 0.000 2.238 230 K HA 0.606 4.907 4.320 -0.032 0.000 0.239 230 K C -1.317 175.533 176.600 0.416 0.000 0.987 230 K CA -0.620 55.808 56.287 0.235 0.000 0.857 230 K CB 1.895 34.429 32.500 0.057 0.000 1.154 230 K HN 0.618 nan 8.250 nan 0.000 0.439 231 Y N 1.209 121.613 120.300 0.173 0.000 2.442 231 Y HA 0.318 4.848 4.550 -0.034 0.000 0.344 231 Y C -2.738 173.200 175.900 0.062 0.000 0.976 231 Y CA -2.617 55.602 58.100 0.198 0.000 1.040 231 Y CB 1.698 40.265 38.460 0.179 0.000 1.228 231 Y HN 0.390 nan 8.280 nan 0.000 0.451 232 P HA -0.004 nan 4.420 nan 0.000 0.265 232 P C -0.742 176.101 177.300 -0.760 0.000 1.193 232 P CA 0.397 63.094 63.100 -0.673 0.000 0.765 232 P CB 0.540 31.611 31.700 -1.049 0.000 0.823 233 D N 2.505 122.627 120.400 -0.463 0.000 2.639 233 D HA 0.060 4.680 4.640 -0.032 0.000 0.233 233 D C 0.538 176.703 176.300 -0.225 0.000 1.161 233 D CA -0.392 53.463 54.000 -0.242 0.000 1.003 233 D CB -0.505 40.208 40.800 -0.146 0.000 1.034 233 D HN 0.272 nan 8.370 nan 0.000 0.514 234 Y N 0.851 121.096 120.300 -0.091 0.000 2.241 234 Y HA -0.194 4.338 4.550 -0.030 0.000 0.286 234 Y C 2.193 178.077 175.900 -0.027 0.000 1.166 234 Y CA 0.777 58.838 58.100 -0.065 0.000 1.203 234 Y CB -0.019 38.404 38.460 -0.063 0.000 0.977 234 Y HN 0.330 nan 8.280 nan 0.000 0.529 235 L N -0.425 120.873 121.223 0.125 0.000 2.005 235 L HA -0.239 4.081 4.340 -0.032 0.000 0.207 235 L C 2.660 179.555 176.870 0.042 0.000 1.072 235 L CA 1.754 56.646 54.840 0.086 0.000 0.744 235 L CB -0.534 41.573 42.059 0.080 0.000 0.895 235 L HN 0.235 nan 8.230 nan 0.000 0.433 236 Q N 0.076 119.882 119.800 0.010 0.000 2.124 236 Q HA -0.216 4.105 4.340 -0.032 0.000 0.202 236 Q C 2.058 178.052 176.000 -0.010 0.000 0.977 236 Q CA 1.831 57.629 55.803 -0.009 0.000 0.850 236 Q CB -0.206 28.509 28.738 -0.038 0.000 0.901 236 Q HN 0.413 nan 8.270 nan 0.000 0.429 237 M N -0.413 119.175 119.600 -0.021 0.000 2.254 237 M HA -0.038 4.422 4.480 -0.032 0.000 0.265 237 M C 2.061 178.374 176.300 0.022 0.000 1.066 237 M CA 1.261 56.552 55.300 -0.016 0.000 1.123 237 M CB 0.121 32.690 32.600 -0.052 0.000 1.388 237 M HN 0.171 nan 8.290 nan 0.000 0.425 238 S N 0.549 116.272 115.700 0.039 0.000 2.423 238 S HA -0.010 4.440 4.470 -0.032 0.000 0.231 238 S C 1.953 176.571 174.600 0.030 0.000 1.014 238 S CA 1.186 59.411 58.200 0.042 0.000 0.965 238 S CB -0.191 63.036 63.200 0.047 0.000 0.785 238 S HN 0.544 nan 8.310 nan 0.000 0.495 239 A N 1.044 123.880 122.820 0.027 0.000 2.072 239 A HA 0.111 4.412 4.320 -0.032 0.000 0.216 239 A C 0.715 178.314 177.584 0.025 0.000 1.156 239 A CA 0.025 52.076 52.037 0.022 0.000 0.701 239 A CB -0.383 18.628 19.000 0.019 0.000 0.816 239 A HN 0.393 nan 8.150 nan 0.000 0.458 240 D N 0.970 121.390 120.400 0.032 0.000 2.772 240 D HA -0.026 4.595 4.640 -0.032 0.000 0.227 240 D C -0.656 175.683 176.300 0.066 0.000 1.114 240 D CA -0.376 53.656 54.000 0.052 0.000 0.832 240 D CB 0.848 41.691 40.800 0.071 0.000 1.154 240 D HN 0.200 nan 8.370 nan 0.000 0.514 241 P HA -0.226 nan 4.420 nan 0.000 0.215 241 P C 0.947 178.243 177.300 -0.007 0.000 1.157 241 P CA 1.548 64.615 63.100 -0.056 0.000 0.874 241 P CB -0.058 31.491 31.700 -0.252 0.000 0.790 242 Y N -0.365 120.056 120.300 0.203 0.000 2.314 242 Y HA 0.210 4.741 4.550 -0.032 0.000 0.294 242 Y C 1.932 178.010 175.900 0.298 0.000 1.119 242 Y CA 1.022 59.279 58.100 0.262 0.000 1.179 242 Y CB -0.668 37.902 38.460 0.184 0.000 1.025 242 Y HN 0.087 nan 8.280 nan 0.000 0.541 243 G N 0.424 109.432 108.800 0.348 0.000 2.203 243 G HA2 -0.226 3.715 3.960 -0.032 0.000 0.231 243 G HA3 -0.226 3.715 3.960 -0.032 0.000 0.231 243 G C 0.045 175.110 174.900 0.276 0.000 1.058 243 G CA 0.368 45.627 45.100 0.265 0.000 0.781 243 G HN 0.355 nan 8.290 nan 0.000 0.496 244 D N -0.210 120.334 120.400 0.239 0.000 2.349 244 D HA 0.180 4.801 4.640 -0.032 0.000 0.214 244 D C 2.155 178.448 176.300 -0.011 0.000 1.063 244 D CA 0.898 55.018 54.000 0.200 0.000 0.847 244 D CB 0.339 41.289 40.800 0.249 0.000 0.933 244 D HN 0.389 nan 8.370 nan 0.000 0.513 245 S N 0.196 115.881 115.700 -0.026 0.000 2.404 245 S HA 0.085 4.536 4.470 -0.032 0.000 0.223 245 S C 1.001 175.484 174.600 -0.194 0.000 1.040 245 S CA 0.318 58.441 58.200 -0.127 0.000 0.957 245 S CB 0.189 63.338 63.200 -0.085 0.000 0.826 245 S HN 0.339 nan 8.310 nan 0.000 0.491 246 M N 0.199 119.723 119.600 -0.127 0.000 2.238 246 M HA 0.536 4.996 4.480 -0.032 0.000 0.278 246 M C -1.219 175.097 176.300 0.026 0.000 1.040 246 M CA -0.793 54.423 55.300 -0.140 0.000 0.969 246 M CB 1.313 33.888 32.600 -0.041 0.000 1.694 246 M HN 0.053 nan 8.290 nan 0.000 0.472 247 F N 1.309 121.354 119.950 0.158 0.000 2.735 247 F HA 0.731 5.239 4.527 -0.033 0.000 0.304 247 F C -1.270 174.691 175.800 0.269 0.000 1.119 247 F CA -1.709 56.392 58.000 0.167 0.000 1.280 247 F CB -0.217 38.869 39.000 0.143 0.000 0.994 247 F HN 0.545 nan 8.300 nan 0.000 0.520 248 F N 1.431 121.573 119.950 0.321 0.000 2.652 248 F HA 0.505 5.014 4.527 -0.031 0.000 0.320 248 F C -1.911 173.957 175.800 0.113 0.000 1.115 248 F CA -1.581 56.547 58.000 0.213 0.000 1.053 248 F CB 0.936 40.094 39.000 0.264 0.000 1.297 248 F HN 0.206 nan 8.300 nan 0.000 0.471 249 C N 7.796 126.825 119.300 -0.452 0.000 2.642 249 C HA 0.872 5.312 4.460 -0.032 0.000 0.344 249 C C -2.383 172.326 174.990 -0.469 0.000 1.110 249 C CA -0.583 58.291 59.018 -0.239 0.000 1.298 249 C CB 0.533 28.256 27.740 -0.028 0.000 1.827 249 C HN 0.818 nan 8.230 nan 0.000 0.467 250 L N 6.443 127.462 121.223 -0.340 0.000 2.441 250 L HA 0.746 5.066 4.340 -0.032 0.000 0.270 250 L C -0.074 176.696 176.870 -0.166 0.000 0.973 250 L CA -0.010 54.627 54.840 -0.338 0.000 0.842 250 L CB 1.602 43.393 42.059 -0.447 0.000 1.239 250 L HN 0.923 nan 8.230 nan 0.000 0.406 251 R N 2.530 122.930 120.500 -0.167 0.000 2.795 251 R HA 0.965 5.285 4.340 -0.032 0.000 0.275 251 R C -0.843 175.399 176.300 -0.096 0.000 0.981 251 R CA -1.138 54.904 56.100 -0.097 0.000 0.917 251 R CB 2.228 32.440 30.300 -0.147 0.000 1.202 251 R HN 0.423 nan 8.270 nan 0.000 0.469 252 R N 1.196 121.670 120.500 -0.043 0.000 2.879 252 R HA 0.114 4.435 4.340 -0.032 0.000 0.291 252 R C -1.562 174.748 176.300 0.017 0.000 1.246 252 R CA -0.268 55.812 56.100 -0.034 0.000 1.083 252 R CB 1.146 31.403 30.300 -0.072 0.000 1.274 252 R HN 0.992 nan 8.270 nan 0.000 0.393 253 E N 3.754 123.983 120.200 0.047 0.000 2.339 253 E HA 0.527 4.858 4.350 -0.032 0.000 0.262 253 E C -1.278 175.358 176.600 0.060 0.000 0.934 253 E CA -1.075 55.371 56.400 0.077 0.000 0.802 253 E CB 2.477 32.249 29.700 0.120 0.000 1.275 253 E HN 0.597 nan 8.360 nan 0.000 0.427 254 Q N 0.393 120.236 119.800 0.072 0.000 2.545 254 Q HA 0.529 4.849 4.340 -0.032 0.000 0.273 254 Q C -1.419 174.634 176.000 0.088 0.000 0.975 254 Q CA -1.153 54.693 55.803 0.071 0.000 0.876 254 Q CB 1.491 30.270 28.738 0.068 0.000 1.472 254 Q HN 0.583 nan 8.270 nan 0.000 0.389 255 L N -1.423 119.859 121.223 0.099 0.000 3.079 255 L HA 0.874 5.194 4.340 -0.032 0.000 0.278 255 L C -1.741 175.228 176.870 0.165 0.000 1.026 255 L CA -0.914 53.981 54.840 0.092 0.000 0.963 255 L CB 0.562 42.631 42.059 0.016 0.000 1.526 255 L HN 1.046 nan 8.230 nan 0.000 0.397 256 F N -1.073 118.875 119.950 -0.003 0.000 2.693 256 F HA 0.931 5.452 4.527 -0.010 0.000 0.309 256 F C -0.738 175.054 175.800 -0.013 0.000 1.129 256 F CA -0.696 57.297 58.000 -0.011 0.000 0.948 256 F CB 1.204 40.196 39.000 -0.013 0.000 1.315 256 F HN 0.912 nan 8.300 nan 0.000 0.447 257 A N 2.825 125.764 122.820 0.199 0.000 2.310 257 A HA 0.527 4.827 4.320 -0.032 0.000 0.300 257 A C 1.010 178.625 177.584 0.050 0.000 1.269 257 A CA -0.308 51.763 52.037 0.057 0.000 0.909 257 A CB 0.500 19.633 19.000 0.223 0.000 1.144 257 A HN 0.972 nan 8.150 nan 0.000 0.540 258 R N 2.079 122.405 120.500 -0.289 0.000 2.052 258 R HA 0.033 4.354 4.340 -0.032 0.000 0.226 258 R C -0.074 175.938 176.300 -0.480 0.000 1.145 258 R CA 1.659 57.617 56.100 -0.237 0.000 0.952 258 R CB -0.172 29.977 30.300 -0.252 0.000 0.847 258 R HN 0.838 nan 8.270 nan 0.000 0.431 259 H N -2.123 116.668 119.070 -0.465 0.000 2.797 259 H HA 0.388 4.926 4.556 -0.029 0.000 0.372 259 H C -1.233 173.731 175.328 -0.607 0.000 1.168 259 H CA -0.657 54.955 56.048 -0.727 0.000 1.163 259 H CB 1.514 30.716 29.762 -0.933 0.000 1.778 259 H HN 0.007 nan 8.280 nan 0.000 0.551 260 F N 1.721 121.372 119.950 -0.498 0.000 2.402 260 F HA 0.302 4.807 4.527 -0.036 0.000 0.355 260 F C -0.706 175.023 175.800 -0.118 0.000 1.123 260 F CA -0.810 57.021 58.000 -0.281 0.000 1.021 260 F CB 1.276 40.200 39.000 -0.126 0.000 1.160 260 F HN 0.188 nan 8.300 nan 0.000 0.451 261 W N 1.547 123.069 121.300 0.371 0.000 2.902 261 W HA 0.325 4.969 4.660 -0.027 0.000 0.346 261 W C -0.539 176.155 176.519 0.291 0.000 1.139 261 W CA -1.314 56.209 57.345 0.298 0.000 1.139 261 W CB 1.358 30.982 29.460 0.273 0.000 1.439 261 W HN 0.420 nan 8.180 nan 0.000 0.558 262 N N 0.902 119.874 118.700 0.455 0.000 2.463 262 N HA 0.385 5.106 4.740 -0.032 0.000 0.270 262 N C -0.395 175.185 175.510 0.116 0.000 1.205 262 N CA -0.513 52.653 53.050 0.193 0.000 0.974 262 N CB 0.876 39.444 38.487 0.135 0.000 1.197 262 N HN -0.045 nan 8.380 nan 0.000 0.504 263 R N 0.995 121.494 120.500 -0.002 0.000 2.494 263 R HA 0.449 4.769 4.340 -0.032 0.000 0.305 263 R C -0.793 175.479 176.300 -0.048 0.000 0.959 263 R CA -0.641 55.446 56.100 -0.022 0.000 0.864 263 R CB 1.551 31.828 30.300 -0.037 0.000 1.159 263 R HN 0.549 nan 8.270 nan 0.000 0.446 264 A N 1.068 123.859 122.820 -0.049 0.000 2.304 264 A HA 0.760 5.061 4.320 -0.032 0.000 0.271 264 A C 0.445 177.996 177.584 -0.055 0.000 1.091 264 A CA 0.497 52.505 52.037 -0.048 0.000 0.812 264 A CB 0.624 19.598 19.000 -0.044 0.000 1.056 264 A HN 0.852 nan 8.150 nan 0.000 0.489 265 G N -0.644 108.126 108.800 -0.049 0.000 2.347 265 G HA2 0.484 4.425 3.960 -0.032 0.000 0.477 265 G HA3 0.484 4.425 3.960 -0.032 0.000 0.477 265 G C -0.340 174.533 174.900 -0.045 0.000 1.349 265 G CA -0.145 44.927 45.100 -0.047 0.000 1.000 265 G HN 1.877 nan 8.290 nan 0.000 0.605 266 T N -0.934 113.596 114.554 -0.039 0.000 2.909 266 T HA 0.645 4.976 4.350 -0.032 0.000 0.286 266 T C 0.723 175.399 174.700 -0.039 0.000 1.002 266 T CA -0.755 61.324 62.100 -0.035 0.000 1.074 266 T CB 1.221 70.073 68.868 -0.027 0.000 0.984 266 T HN 0.585 nan 8.240 nan 0.000 0.495 267 M N 2.952 122.528 119.600 -0.039 0.000 2.188 267 M HA 0.261 4.722 4.480 -0.032 0.000 0.354 267 M C 1.666 177.948 176.300 -0.031 0.000 1.342 267 M CA -0.573 54.702 55.300 -0.043 0.000 1.117 267 M CB 0.333 32.905 32.600 -0.046 0.000 1.670 267 M HN 1.068 nan 8.290 nan 0.000 0.466 268 G N 3.412 112.192 108.800 -0.032 0.000 2.484 268 G HA2 -0.095 3.846 3.960 -0.032 0.000 0.215 268 G HA3 -0.095 3.846 3.960 -0.032 0.000 0.215 268 G C 0.183 175.073 174.900 -0.018 0.000 1.219 268 G CA 0.353 45.438 45.100 -0.025 0.000 0.791 268 G HN 0.666 nan 8.290 nan 0.000 0.550 269 D N 1.209 121.598 120.400 -0.019 0.000 2.277 269 D HA 0.327 4.948 4.640 -0.032 0.000 0.249 269 D C -0.201 176.097 176.300 -0.003 0.000 1.134 269 D CA 0.170 54.164 54.000 -0.010 0.000 0.863 269 D CB 1.325 42.118 40.800 -0.012 0.000 1.143 269 D HN -0.011 nan 8.370 nan 0.000 0.458 270 T N 1.025 115.585 114.554 0.009 0.000 2.794 270 T HA 0.163 4.494 4.350 -0.032 0.000 0.296 270 T C 0.780 175.509 174.700 0.048 0.000 0.949 270 T CA -0.710 61.405 62.100 0.025 0.000 1.101 270 T CB 0.916 69.802 68.868 0.031 0.000 0.905 270 T HN 0.057 nan 8.240 nan 0.000 0.516 271 V N 6.734 126.687 119.914 0.066 0.000 2.509 271 V HA 0.056 4.157 4.120 -0.032 0.000 0.297 271 V C -1.709 174.502 176.094 0.195 0.000 1.014 271 V CA -1.197 61.175 62.300 0.120 0.000 1.127 271 V CB -0.725 31.155 31.823 0.096 0.000 0.925 271 V HN 0.748 nan 8.190 nan 0.000 0.480 272 P HA 0.087 nan 4.420 nan 0.000 0.269 272 P C 0.724 178.063 177.300 0.064 0.000 1.209 272 P CA -0.187 62.967 63.100 0.090 0.000 0.776 272 P CB 0.497 32.229 31.700 0.053 0.000 0.876 273 Q N 0.993 120.747 119.800 -0.078 0.000 2.230 273 Q HA -0.083 4.238 4.340 -0.032 0.000 0.202 273 Q C 1.490 177.272 176.000 -0.363 0.000 0.963 273 Q CA 1.540 57.143 55.803 -0.334 0.000 0.866 273 Q CB -0.298 28.302 28.738 -0.231 0.000 0.931 273 Q HN 0.588 nan 8.270 nan 0.000 0.452 274 S N -0.593 115.014 115.700 -0.154 0.000 2.660 274 S HA 0.064 4.515 4.470 -0.032 0.000 0.223 274 S C 1.420 175.993 174.600 -0.046 0.000 0.963 274 S CA 0.150 58.290 58.200 -0.101 0.000 0.932 274 S CB -0.173 62.998 63.200 -0.049 0.000 0.775 274 S HN 0.266 nan 8.310 nan 0.000 0.531 275 L N 0.428 121.652 121.223 0.001 0.000 2.728 275 L HA 0.445 4.766 4.340 -0.032 0.000 0.238 275 L C 0.021 177.064 176.870 0.290 0.000 1.143 275 L CA -0.535 54.391 54.840 0.143 0.000 0.937 275 L CB -0.188 41.981 42.059 0.184 0.000 1.225 275 L HN 0.602 nan 8.230 nan 0.000 0.507 276 Y N -2.943 117.364 120.300 0.013 0.000 2.852 276 Y HA 0.598 5.129 4.550 -0.032 0.000 0.350 276 Y C -1.444 174.463 175.900 0.012 0.000 1.272 276 Y CA -1.721 56.388 58.100 0.014 0.000 1.086 276 Y CB 0.833 39.305 38.460 0.019 0.000 1.408 276 Y HN -0.251 nan 8.280 nan 0.000 0.447 277 I N 2.490 123.206 120.570 0.244 0.000 2.436 277 I HA 0.369 4.520 4.170 -0.032 0.000 0.289 277 I C -0.625 175.633 176.117 0.235 0.000 1.010 277 I CA -1.102 60.261 61.300 0.106 0.000 1.098 277 I CB 1.998 40.044 38.000 0.077 0.000 1.266 277 I HN 0.530 nan 8.210 nan 0.000 0.434 278 K N 3.414 123.902 120.400 0.146 0.000 2.380 278 K HA 0.368 4.668 4.320 -0.032 0.000 0.267 278 K C 0.415 177.089 176.600 0.124 0.000 0.990 278 K CA -0.081 56.320 56.287 0.191 0.000 0.946 278 K CB 0.890 33.456 32.500 0.110 0.000 0.937 278 K HN 0.834 nan 8.250 nan 0.000 0.491 279 G N 0.150 109.016 108.800 0.111 0.000 3.217 279 G HA2 0.494 4.435 3.960 -0.032 0.000 0.213 279 G HA3 0.494 4.435 3.960 -0.032 0.000 0.213 279 G C -0.911 174.022 174.900 0.055 0.000 1.294 279 G CA -0.487 44.655 45.100 0.070 0.000 0.987 279 G HN 0.587 nan 8.290 nan 0.000 0.584 280 T N -3.438 111.141 114.554 0.041 0.000 2.907 280 T HA 0.702 5.033 4.350 -0.032 0.000 0.292 280 T C 0.732 175.449 174.700 0.029 0.000 1.043 280 T CA 0.650 62.769 62.100 0.033 0.000 1.003 280 T CB 1.414 70.298 68.868 0.026 0.000 1.084 280 T HN 2.425 nan 8.240 nan 0.000 0.483 281 G N 2.591 111.406 108.800 0.025 0.000 2.509 281 G HA2 -0.315 3.626 3.960 -0.032 0.000 0.259 281 G HA3 -0.315 3.626 3.960 -0.032 0.000 0.259 281 G C 0.902 175.814 174.900 0.021 0.000 1.169 281 G CA 0.721 45.833 45.100 0.021 0.000 0.953 281 G HN 1.479 nan 8.290 nan 0.000 0.563 282 M N -0.704 118.906 119.600 0.017 0.000 2.229 282 M HA 0.227 4.688 4.480 -0.032 0.000 0.264 282 M C 2.204 178.511 176.300 0.013 0.000 1.063 282 M CA 2.205 57.513 55.300 0.013 0.000 1.114 282 M CB -0.212 32.396 32.600 0.012 0.000 1.387 282 M HN 0.347 nan 8.290 nan 0.000 0.420 283 R N 0.811 121.322 120.500 0.018 0.000 2.346 283 R HA 0.168 4.488 4.340 -0.032 0.000 0.199 283 R C 1.859 178.182 176.300 0.039 0.000 1.015 283 R CA 0.528 56.640 56.100 0.021 0.000 1.058 283 R CB -0.176 30.139 30.300 0.026 0.000 0.921 283 R HN 0.594 nan 8.270 nan 0.000 0.475 284 A N -0.418 122.428 122.820 0.043 0.000 2.132 284 A HA 0.053 4.354 4.320 -0.032 0.000 0.213 284 A C 0.799 178.439 177.584 0.095 0.000 1.154 284 A CA 0.415 52.494 52.037 0.069 0.000 0.753 284 A CB 0.425 19.457 19.000 0.052 0.000 0.826 284 A HN 0.131 nan 8.150 nan 0.000 0.469 285 S N 1.087 116.816 115.700 0.049 0.000 2.647 285 S HA 0.535 4.986 4.470 -0.032 0.000 0.300 285 S C -3.043 171.527 174.600 -0.050 0.000 1.129 285 S CA -1.537 56.684 58.200 0.034 0.000 1.029 285 S CB 1.235 64.454 63.200 0.031 0.000 1.007 285 S HN 0.189 nan 8.310 nan 0.000 0.484 286 P HA 0.194 nan 4.420 nan 0.000 0.265 286 P C 0.665 177.894 177.300 -0.119 0.000 1.193 286 P CA -0.029 62.930 63.100 -0.235 0.000 0.765 286 P CB 0.288 31.735 31.700 -0.422 0.000 0.823 287 G N 1.934 110.679 108.800 -0.092 0.000 2.485 287 G HA2 0.107 4.048 3.960 -0.032 0.000 0.260 287 G HA3 0.107 4.048 3.960 -0.032 0.000 0.260 287 G C -0.215 174.633 174.900 -0.086 0.000 1.459 287 G CA -0.466 44.597 45.100 -0.061 0.000 1.060 287 G HN 0.586 nan 8.290 nan 0.000 0.546 288 S N -1.694 113.952 115.700 -0.089 0.000 2.515 288 S HA 0.083 4.533 4.470 -0.032 0.000 0.285 288 S C 0.641 175.062 174.600 -0.297 0.000 1.265 288 S CA -0.609 57.496 58.200 -0.158 0.000 1.079 288 S CB -0.317 62.801 63.200 -0.136 0.000 0.877 288 S HN 0.485 nan 8.310 nan 0.000 0.493 289 C N 5.652 124.750 119.300 -0.336 0.000 2.563 289 C HA 0.354 4.795 4.460 -0.032 0.000 0.307 289 C C 0.023 174.649 174.990 -0.607 0.000 1.371 289 C CA -0.623 58.090 59.018 -0.509 0.000 1.772 289 C CB -1.373 26.267 27.740 -0.167 0.000 2.283 289 C HN 0.659 nan 8.230 nan 0.000 0.570 290 V N 1.755 121.321 119.914 -0.579 0.000 2.293 290 V HA 0.354 4.455 4.120 -0.032 0.000 0.275 290 V C -0.682 175.200 176.094 -0.354 0.000 1.021 290 V CA -0.350 61.748 62.300 -0.337 0.000 0.815 290 V CB -0.078 31.648 31.823 -0.163 0.000 1.025 290 V HN 0.438 nan 8.190 nan 0.000 0.448 291 Y N 2.277 122.602 120.300 0.042 0.000 2.419 291 Y HA 0.738 5.270 4.550 -0.031 0.000 0.328 291 Y C 0.625 176.570 175.900 0.075 0.000 1.162 291 Y CA -0.672 57.467 58.100 0.066 0.000 1.174 291 Y CB 2.163 40.630 38.460 0.012 0.000 1.228 291 Y HN 0.622 nan 8.280 nan 0.000 0.473 292 S N 1.767 117.653 115.700 0.309 0.000 2.590 292 S HA 0.443 4.893 4.470 -0.032 0.000 0.286 292 S C -3.489 171.269 174.600 0.264 0.000 1.147 292 S CA -1.303 57.041 58.200 0.240 0.000 0.963 292 S CB 2.109 65.474 63.200 0.275 0.000 1.124 292 S HN 0.395 nan 8.310 nan 0.000 0.458 293 P HA 0.401 nan 4.420 nan 0.000 0.290 293 P C -0.258 177.016 177.300 -0.042 0.000 1.275 293 P CA -0.466 62.658 63.100 0.040 0.000 0.841 293 P CB 1.488 33.189 31.700 0.002 0.000 1.042 294 S N 3.118 118.730 115.700 -0.147 0.000 2.481 294 S HA 0.318 4.768 4.470 -0.032 0.000 0.276 294 S C -1.834 172.644 174.600 -0.204 0.000 1.247 294 S CA -1.057 57.084 58.200 -0.099 0.000 1.053 294 S CB -0.188 62.914 63.200 -0.162 0.000 0.925 294 S HN 0.361 nan 8.310 nan 0.000 0.491 295 P HA 0.340 nan 4.420 nan 0.000 0.277 295 P C -0.513 176.610 177.300 -0.295 0.000 1.276 295 P CA -0.526 62.411 63.100 -0.272 0.000 0.788 295 P CB 0.939 32.499 31.700 -0.234 0.000 1.114 296 S N -1.139 114.317 115.700 -0.406 0.000 2.582 296 S HA 0.482 4.933 4.470 -0.032 0.000 0.296 296 S C -0.596 173.840 174.600 -0.275 0.000 1.118 296 S CA -0.627 57.333 58.200 -0.399 0.000 0.947 296 S CB -0.129 62.669 63.200 -0.670 0.000 1.131 296 S HN 0.661 nan 8.310 nan 0.000 0.453 297 G N 2.823 111.609 108.800 -0.023 0.000 2.390 297 G HA2 0.469 4.409 3.960 -0.032 0.000 0.270 297 G HA3 0.469 4.409 3.960 -0.032 0.000 0.270 297 G C 0.681 175.684 174.900 0.172 0.000 1.211 297 G CA 0.044 45.202 45.100 0.097 0.000 0.842 297 G HN 0.792 nan 8.290 nan 0.000 0.519 298 S N 1.412 117.285 115.700 0.287 0.000 2.116 298 S HA 0.116 4.567 4.470 -0.032 0.000 0.173 298 S C 1.163 175.853 174.600 0.151 0.000 1.419 298 S CA -0.183 58.187 58.200 0.284 0.000 2.163 298 S CB -0.311 62.998 63.200 0.181 0.000 0.340 298 S HN 0.410 nan 8.310 nan 0.000 0.358 299 I N 0.988 121.616 120.570 0.097 0.000 2.696 299 I HA 0.206 4.357 4.170 -0.032 0.000 0.284 299 I C -0.146 176.009 176.117 0.062 0.000 1.129 299 I CA -0.020 61.319 61.300 0.065 0.000 1.410 299 I CB 1.167 39.189 38.000 0.037 0.000 1.399 299 I HN 0.196 nan 8.210 nan 0.000 0.579 300 V N 5.983 125.930 119.914 0.054 0.000 2.384 300 V HA 0.621 4.722 4.120 -0.032 0.000 0.287 300 V C -0.308 175.806 176.094 0.033 0.000 1.020 300 V CA 0.102 62.431 62.300 0.047 0.000 0.850 300 V CB 1.629 33.485 31.823 0.055 0.000 0.987 300 V HN 0.859 nan 8.190 nan 0.000 0.436 301 T N 2.879 117.447 114.554 0.024 0.000 2.906 301 T HA 0.414 4.744 4.350 -0.032 0.000 0.295 301 T C 0.970 175.676 174.700 0.010 0.000 1.075 301 T CA 0.128 62.237 62.100 0.015 0.000 1.005 301 T CB 1.928 70.802 68.868 0.011 0.000 1.136 301 T HN 1.078 nan 8.240 nan 0.000 0.498 302 S N 1.657 117.361 115.700 0.007 0.000 2.561 302 S HA 0.013 4.464 4.470 -0.032 0.000 0.225 302 S C 1.104 175.702 174.600 -0.002 0.000 0.977 302 S CA 0.278 58.481 58.200 0.004 0.000 0.926 302 S CB -0.238 62.964 63.200 0.003 0.000 0.769 302 S HN 0.740 nan 8.310 nan 0.000 0.533 303 D N 2.746 123.144 120.400 -0.002 0.000 2.178 303 D HA -0.049 4.572 4.640 -0.032 0.000 0.202 303 D C 1.519 177.813 176.300 -0.010 0.000 0.974 303 D CA 1.580 55.576 54.000 -0.006 0.000 0.841 303 D CB -0.185 40.612 40.800 -0.005 0.000 0.953 303 D HN 0.659 nan 8.370 nan 0.000 0.478 304 S N -0.290 115.402 115.700 -0.013 0.000 2.601 304 S HA 0.156 4.607 4.470 -0.032 0.000 0.244 304 S C 0.516 175.088 174.600 -0.045 0.000 1.001 304 S CA -0.605 57.580 58.200 -0.024 0.000 0.984 304 S CB 0.622 63.811 63.200 -0.018 0.000 0.842 304 S HN -0.124 nan 8.310 nan 0.000 0.474 305 Q N 1.369 121.146 119.800 -0.038 0.000 2.289 305 Q HA 0.346 4.667 4.340 -0.032 0.000 0.273 305 Q C 0.659 176.598 176.000 -0.101 0.000 1.029 305 Q CA -0.336 55.433 55.803 -0.057 0.000 0.896 305 Q CB 0.748 29.481 28.738 -0.008 0.000 1.182 305 Q HN 0.341 nan 8.270 nan 0.000 0.385 306 L N 4.090 125.150 121.223 -0.272 0.000 2.179 306 L HA 0.194 4.515 4.340 -0.032 0.000 0.208 306 L C 0.044 176.821 176.870 -0.156 0.000 1.096 306 L CA 1.206 55.823 54.840 -0.372 0.000 0.779 306 L CB -0.087 41.492 42.059 -0.800 0.000 0.922 306 L HN 0.643 nan 8.230 nan 0.000 0.443 307 F N -1.090 118.953 119.950 0.156 0.000 2.450 307 F HA 0.255 4.766 4.527 -0.027 0.000 0.361 307 F C 1.286 177.097 175.800 0.019 0.000 1.092 307 F CA -0.999 57.092 58.000 0.151 0.000 1.105 307 F CB 0.113 39.157 39.000 0.073 0.000 1.458 307 F HN -0.166 nan 8.300 nan 0.000 0.496 308 N N 0.113 118.929 118.700 0.194 0.000 2.725 308 N HA -0.216 4.505 4.740 -0.032 0.000 0.249 308 N C -1.559 173.890 175.510 -0.102 0.000 1.103 308 N CA 0.541 53.595 53.050 0.006 0.000 0.707 308 N CB -0.786 37.709 38.487 0.012 0.000 1.043 308 N HN 0.378 nan 8.380 nan 0.000 0.553 309 K N -0.318 119.940 120.400 -0.237 0.000 2.498 309 K HA 0.423 4.724 4.320 -0.032 0.000 0.254 309 K C -2.846 173.213 176.600 -0.901 0.000 0.933 309 K CA -1.592 54.411 56.287 -0.473 0.000 0.806 309 K CB 2.728 34.956 32.500 -0.452 0.000 1.301 309 K HN -0.177 nan 8.250 nan 0.000 0.432 310 P HA 0.171 nan 4.420 nan 0.000 0.286 310 P C -1.518 175.031 177.300 -1.252 0.000 1.269 310 P CA -0.299 62.209 63.100 -0.987 0.000 0.787 310 P CB 0.326 31.511 31.700 -0.857 0.000 0.920 311 Y N 1.077 120.986 120.300 -0.651 0.000 2.350 311 Y HA 0.452 4.981 4.550 -0.035 0.000 0.338 311 Y C -0.383 175.173 175.900 -0.574 0.000 0.961 311 Y CA -0.953 56.867 58.100 -0.466 0.000 1.100 311 Y CB 0.945 39.487 38.460 0.136 0.000 1.179 311 Y HN 0.342 nan 8.280 nan 0.000 0.454 312 W N 4.822 126.223 121.300 0.168 0.000 2.391 312 W HA 0.700 5.342 4.660 -0.031 0.000 0.311 312 W C -0.789 175.845 176.519 0.191 0.000 1.087 312 W CA -1.131 56.273 57.345 0.099 0.000 1.209 312 W CB 1.064 30.587 29.460 0.106 0.000 1.273 312 W HN 0.384 nan 8.180 nan 0.000 0.482 313 L N 2.785 124.186 121.223 0.297 0.000 2.257 313 L HA 0.459 4.780 4.340 -0.032 0.000 0.290 313 L C 1.011 178.030 176.870 0.249 0.000 1.044 313 L CA -0.748 54.253 54.840 0.269 0.000 0.810 313 L CB 0.611 42.692 42.059 0.036 0.000 1.193 313 L HN 0.617 nan 8.230 nan 0.000 0.425 314 H N 1.890 121.055 119.070 0.160 0.000 2.506 314 H HA 0.344 4.880 4.556 -0.033 0.000 0.289 314 H C -0.363 175.021 175.328 0.093 0.000 1.009 314 H CA -0.289 55.835 56.048 0.127 0.000 1.303 314 H CB 0.445 30.285 29.762 0.130 0.000 1.453 314 H HN 0.560 nan 8.280 nan 0.000 0.526 315 K N 0.972 121.037 120.400 -0.559 0.000 2.731 315 K HA 0.549 4.849 4.320 -0.032 0.000 0.257 315 K C -0.836 175.630 176.600 -0.223 0.000 1.032 315 K CA -0.135 55.979 56.287 -0.289 0.000 0.983 315 K CB 2.822 35.199 32.500 -0.204 0.000 1.248 315 K HN 0.362 nan 8.250 nan 0.000 0.484 316 A N 1.705 124.475 122.820 -0.082 0.000 2.455 316 A HA -0.029 4.272 4.320 -0.032 0.000 0.244 316 A C 1.283 178.895 177.584 0.046 0.000 1.099 316 A CA 0.417 52.473 52.037 0.032 0.000 0.786 316 A CB 0.276 19.315 19.000 0.065 0.000 1.051 316 A HN 0.857 nan 8.150 nan 0.000 0.508 317 Q N 0.702 120.561 119.800 0.099 0.000 2.089 317 Q HA 0.251 4.572 4.340 -0.032 0.000 0.195 317 Q C 1.146 177.161 176.000 0.025 0.000 0.963 317 Q CA 1.243 57.081 55.803 0.058 0.000 0.834 317 Q CB -0.926 27.857 28.738 0.074 0.000 0.906 317 Q HN 0.827 nan 8.270 nan 0.000 0.452 318 G N -0.576 108.265 108.800 0.068 0.000 2.489 318 G HA2 0.110 4.050 3.960 -0.032 0.000 0.271 318 G HA3 0.110 4.050 3.960 -0.032 0.000 0.271 318 G C -0.193 174.723 174.900 0.027 0.000 1.427 318 G CA 0.036 45.144 45.100 0.012 0.000 1.057 318 G HN 0.498 nan 8.290 nan 0.000 0.532 319 H N -1.054 118.132 119.070 0.193 0.000 2.512 319 H HA 0.065 4.603 4.556 -0.032 0.000 0.279 319 H C 0.865 176.344 175.328 0.251 0.000 0.999 319 H CA 0.200 56.377 56.048 0.215 0.000 1.283 319 H CB 0.347 30.261 29.762 0.254 0.000 1.421 319 H HN 0.231 nan 8.280 nan 0.000 0.554 320 N N 1.557 120.504 118.700 0.412 0.000 2.408 320 N HA -0.072 4.648 4.740 -0.032 0.000 0.257 320 N C -0.820 174.819 175.510 0.215 0.000 1.064 320 N CA 0.014 53.282 53.050 0.365 0.000 0.952 320 N CB 0.385 39.163 38.487 0.485 0.000 1.093 320 N HN 0.208 nan 8.380 nan 0.000 0.490 321 N N 3.019 121.748 118.700 0.048 0.000 3.322 321 N HA 0.127 4.848 4.740 -0.032 0.000 0.290 321 N C 0.353 175.664 175.510 -0.331 0.000 1.297 321 N CA 0.129 53.124 53.050 -0.092 0.000 1.167 321 N CB -0.593 37.865 38.487 -0.048 0.000 1.434 321 N HN 0.808 nan 8.380 nan 0.000 0.526 322 G N 1.028 109.378 108.800 -0.749 0.000 2.341 322 G HA2 -0.247 3.694 3.960 -0.032 0.000 0.292 322 G HA3 -0.247 3.694 3.960 -0.032 0.000 0.292 322 G C 0.023 174.606 174.900 -0.527 0.000 1.021 322 G CA 0.295 44.525 45.100 -1.451 0.000 0.905 322 G HN 0.366 nan 8.290 nan 0.000 0.508 323 V N 0.300 120.020 119.914 -0.322 0.000 2.455 323 V HA 0.223 4.324 4.120 -0.032 0.000 0.273 323 V C 1.111 176.998 176.094 -0.345 0.000 1.045 323 V CA -0.339 61.709 62.300 -0.420 0.000 0.976 323 V CB 1.239 32.613 31.823 -0.749 0.000 0.993 323 V HN 0.462 nan 8.190 nan 0.000 0.475 324 C N 5.914 125.113 119.300 -0.168 0.000 2.183 324 C HA 0.281 4.721 4.460 -0.032 0.000 0.409 324 C C 0.402 175.430 174.990 0.064 0.000 1.022 324 C CA -1.419 57.620 59.018 0.035 0.000 1.367 324 C CB -1.872 25.933 27.740 0.108 0.000 1.650 324 C HN 0.853 nan 8.230 nan 0.000 0.499 325 W N 1.658 123.111 121.300 0.256 0.000 2.209 325 W HA 0.214 4.855 4.660 -0.032 0.000 0.344 325 W C 1.261 177.974 176.519 0.324 0.000 1.285 325 W CA 0.209 57.707 57.345 0.255 0.000 1.267 325 W CB -0.054 29.569 29.460 0.270 0.000 1.167 325 W HN 0.777 nan 8.180 nan 0.000 0.574 326 H N 0.161 119.415 119.070 0.307 0.000 3.366 326 H HA -0.279 4.257 4.556 -0.032 0.000 0.233 326 H C 0.486 175.879 175.328 0.109 0.000 1.102 326 H CA 1.332 57.474 56.048 0.156 0.000 1.184 326 H CB -1.944 27.898 29.762 0.134 0.000 1.216 326 H HN 0.541 nan 8.280 nan 0.000 0.317 327 N N -0.601 118.218 118.700 0.198 0.000 2.735 327 N HA -0.208 4.513 4.740 -0.032 0.000 0.248 327 N C -0.222 175.291 175.510 0.004 0.000 1.083 327 N CA 1.386 54.481 53.050 0.076 0.000 0.703 327 N CB -0.913 37.590 38.487 0.026 0.000 1.005 327 N HN 0.731 nan 8.380 nan 0.000 0.550 328 Q N -0.293 119.540 119.800 0.056 0.000 2.399 328 Q HA 0.807 5.128 4.340 -0.032 0.000 0.276 328 Q C -0.797 175.188 176.000 -0.025 0.000 1.098 328 Q CA -0.776 55.004 55.803 -0.038 0.000 0.827 328 Q CB 2.629 31.387 28.738 0.033 0.000 1.386 328 Q HN 0.327 nan 8.270 nan 0.000 0.443 329 L N 1.654 122.772 121.223 -0.174 0.000 2.614 329 L HA 0.472 4.793 4.340 -0.032 0.000 0.264 329 L C -1.913 174.825 176.870 -0.220 0.000 0.940 329 L CA -0.399 54.410 54.840 -0.051 0.000 0.903 329 L CB 1.165 43.212 42.059 -0.019 0.000 1.306 329 L HN 0.539 nan 8.230 nan 0.000 0.410 330 F N 4.362 124.256 119.950 -0.094 0.000 2.420 330 F HA 0.589 5.096 4.527 -0.033 0.000 0.342 330 F C 0.045 175.830 175.800 -0.025 0.000 1.113 330 F CA -0.605 57.312 58.000 -0.137 0.000 1.059 330 F CB 2.001 40.833 39.000 -0.281 0.000 1.128 330 F HN 0.032 nan 8.300 nan 0.000 0.475 331 V N 3.050 123.103 119.914 0.231 0.000 2.326 331 V HA 0.303 4.403 4.120 -0.032 0.000 0.281 331 V C -0.379 175.876 176.094 0.269 0.000 1.015 331 V CA -0.587 61.867 62.300 0.256 0.000 0.823 331 V CB 1.442 33.428 31.823 0.270 0.000 1.009 331 V HN 0.784 nan 8.190 nan 0.000 0.436 332 T N 4.797 119.477 114.554 0.211 0.000 2.771 332 T HA 0.643 4.974 4.350 -0.032 0.000 0.291 332 T C -0.327 174.524 174.700 0.252 0.000 0.954 332 T CA -0.323 61.902 62.100 0.207 0.000 1.045 332 T CB 1.555 70.514 68.868 0.151 0.000 0.917 332 T HN 0.314 nan 8.240 nan 0.000 0.484 333 V N 3.873 123.942 119.914 0.258 0.000 2.733 333 V HA 0.515 4.616 4.120 -0.032 0.000 0.306 333 V C -0.737 175.503 176.094 0.244 0.000 1.084 333 V CA -0.728 61.730 62.300 0.263 0.000 0.905 333 V CB 2.367 34.316 31.823 0.211 0.000 1.010 333 V HN 0.707 nan 8.190 nan 0.000 0.424 334 V N 3.497 123.561 119.914 0.249 0.000 2.588 334 V HA 0.664 4.764 4.120 -0.032 0.000 0.304 334 V C -1.155 175.106 176.094 0.279 0.000 1.042 334 V CA -0.416 61.964 62.300 0.134 0.000 0.877 334 V CB 2.056 33.848 31.823 -0.053 0.000 0.996 334 V HN 1.006 nan 8.190 nan 0.000 0.425 335 D N 2.272 122.811 120.400 0.233 0.000 2.470 335 D HA 0.287 4.907 4.640 -0.032 0.000 0.233 335 D C 0.507 176.867 176.300 0.099 0.000 1.372 335 D CA 0.129 54.301 54.000 0.287 0.000 0.994 335 D CB 1.932 42.988 40.800 0.428 0.000 1.377 335 D HN 0.582 nan 8.370 nan 0.000 0.586 336 T N -0.449 114.122 114.554 0.028 0.000 3.069 336 T HA 0.032 4.363 4.350 -0.032 0.000 0.252 336 T C 1.567 176.248 174.700 -0.032 0.000 1.053 336 T CA 0.714 62.727 62.100 -0.145 0.000 0.964 336 T CB -0.105 68.654 68.868 -0.181 0.000 1.005 336 T HN 0.329 nan 8.240 nan 0.000 0.532 337 T N -0.072 114.508 114.554 0.043 0.000 3.072 337 T HA 0.129 4.460 4.350 -0.032 0.000 0.266 337 T C 1.063 175.792 174.700 0.048 0.000 1.127 337 T CA 0.132 62.266 62.100 0.055 0.000 1.107 337 T CB -0.346 68.563 68.868 0.069 0.000 0.910 337 T HN 0.378 nan 8.240 nan 0.000 0.513 338 R N 1.663 122.189 120.500 0.043 0.000 2.587 338 R HA 0.359 4.680 4.340 -0.032 0.000 0.283 338 R C 0.030 176.385 176.300 0.093 0.000 1.472 338 R CA -0.063 56.071 56.100 0.057 0.000 1.578 338 R CB 0.909 31.234 30.300 0.042 0.000 1.130 338 R HN 0.428 nan 8.270 nan 0.000 0.602 339 S N -1.365 114.366 115.700 0.052 0.000 2.809 339 S HA 0.041 4.492 4.470 -0.032 0.000 0.248 339 S C 0.344 174.948 174.600 0.005 0.000 1.071 339 S CA -0.690 57.496 58.200 -0.023 0.000 1.059 339 S CB 0.415 63.531 63.200 -0.140 0.000 0.923 339 S HN 0.279 nan 8.310 nan 0.000 0.516 340 T N 1.605 116.222 114.554 0.105 0.000 2.814 340 T HA 0.328 4.659 4.350 -0.032 0.000 0.297 340 T C -0.245 174.531 174.700 0.128 0.000 0.956 340 T CA -0.466 61.686 62.100 0.086 0.000 1.123 340 T CB 0.081 68.993 68.868 0.074 0.000 0.902 340 T HN 0.431 nan 8.240 nan 0.000 0.528 341 N N 2.435 121.177 118.700 0.070 0.000 2.419 341 N HA 0.413 5.134 4.740 -0.032 0.000 0.277 341 N C -0.465 175.072 175.510 0.046 0.000 1.006 341 N CA -0.734 52.354 53.050 0.064 0.000 0.923 341 N CB 1.106 39.588 38.487 -0.009 0.000 1.140 341 N HN 0.479 nan 8.380 nan 0.000 0.488 342 L N 1.471 122.724 121.223 0.050 0.000 2.375 342 L HA 0.365 4.685 4.340 -0.032 0.000 0.271 342 L C 0.415 177.301 176.870 0.026 0.000 1.107 342 L CA -0.211 54.651 54.840 0.036 0.000 0.806 342 L CB 1.088 43.167 42.059 0.032 0.000 1.146 342 L HN 0.428 nan 8.230 nan 0.000 0.447 343 T N 3.505 118.078 114.554 0.032 0.000 2.792 343 T HA 0.636 4.967 4.350 -0.032 0.000 0.280 343 T C -0.359 174.377 174.700 0.060 0.000 0.990 343 T CA -0.245 61.880 62.100 0.042 0.000 0.960 343 T CB 0.956 69.844 68.868 0.033 0.000 0.939 343 T HN 0.267 nan 8.240 nan 0.000 0.439 344 I N 3.481 124.110 120.570 0.100 0.000 2.466 344 I HA 0.528 4.679 4.170 -0.032 0.000 0.289 344 I C -0.183 176.058 176.117 0.207 0.000 1.026 344 I CA -0.803 60.567 61.300 0.116 0.000 1.078 344 I CB 1.528 39.574 38.000 0.076 0.000 1.249 344 I HN 0.756 nan 8.210 nan 0.000 0.429 345 C N 4.156 123.567 119.300 0.184 0.000 2.535 345 C HA 0.974 5.415 4.460 -0.032 0.000 0.319 345 C C -0.189 174.952 174.990 0.252 0.000 1.171 345 C CA -0.441 58.735 59.018 0.263 0.000 1.394 345 C CB 0.624 28.505 27.740 0.235 0.000 1.990 345 C HN 0.879 nan 8.230 nan 0.000 0.466 346 A N 3.160 126.141 122.820 0.269 0.000 2.355 346 A HA 0.921 5.222 4.320 -0.032 0.000 0.324 346 A C 0.164 177.821 177.584 0.121 0.000 1.117 346 A CA 0.041 52.179 52.037 0.169 0.000 0.785 346 A CB 1.237 20.291 19.000 0.091 0.000 1.254 346 A HN 1.994 nan 8.150 nan 0.000 0.453 347 S N 0.535 116.203 115.700 -0.054 0.000 2.652 347 S HA 0.424 4.875 4.470 -0.032 0.000 0.270 347 S C 0.666 175.145 174.600 -0.202 0.000 1.243 347 S CA 0.366 58.350 58.200 -0.360 0.000 0.999 347 S CB 1.057 63.858 63.200 -0.665 0.000 0.973 347 S HN 0.605 nan 8.310 nan 0.000 0.544 348 T N 0.831 115.239 114.554 -0.243 0.000 3.009 348 T HA 0.102 4.433 4.350 -0.032 0.000 0.258 348 T C 0.496 175.120 174.700 -0.128 0.000 1.063 348 T CA 0.679 62.699 62.100 -0.133 0.000 1.139 348 T CB -0.128 68.666 68.868 -0.123 0.000 0.890 348 T HN 0.538 nan 8.240 nan 0.000 0.471 349 Q N 1.003 120.696 119.800 -0.179 0.000 2.306 349 Q HA 0.345 4.666 4.340 -0.032 0.000 0.241 349 Q C 1.277 177.212 176.000 -0.107 0.000 0.948 349 Q CA -0.060 55.664 55.803 -0.131 0.000 0.886 349 Q CB 1.459 30.111 28.738 -0.143 0.000 1.227 349 Q HN 0.154 nan 8.270 nan 0.000 0.457 350 S N 1.772 117.432 115.700 -0.067 0.000 2.371 350 S HA -0.012 4.439 4.470 -0.032 0.000 0.221 350 S C -0.758 173.820 174.600 -0.037 0.000 1.036 350 S CA 0.567 58.739 58.200 -0.046 0.000 0.965 350 S CB -0.666 62.516 63.200 -0.031 0.000 0.845 350 S HN 0.479 nan 8.310 nan 0.000 0.475 351 P HA 0.146 nan 4.420 nan 0.000 0.218 351 P C -0.307 176.984 177.300 -0.016 0.000 1.149 351 P CA 0.717 63.806 63.100 -0.019 0.000 0.817 351 P CB 0.058 31.748 31.700 -0.016 0.000 0.785 352 V N -1.448 118.441 119.914 -0.041 0.000 5.851 352 V HA -0.101 4.000 4.120 -0.032 0.000 0.335 352 V C -2.149 173.952 176.094 0.012 0.000 0.546 352 V CA -0.822 61.455 62.300 -0.038 0.000 1.140 352 V CB -2.347 29.486 31.823 0.017 0.000 1.294 352 V HN 0.233 nan 8.190 nan 0.000 0.532 353 P HA 0.106 nan 4.420 nan 0.000 0.269 353 P C 1.174 178.523 177.300 0.080 0.000 1.205 353 P CA 0.965 64.082 63.100 0.029 0.000 0.780 353 P CB 0.687 32.391 31.700 0.007 0.000 0.858 354 G N 0.159 109.000 108.800 0.069 0.000 3.141 354 G HA2 0.004 3.945 3.960 -0.032 0.000 0.218 354 G HA3 0.004 3.945 3.960 -0.032 0.000 0.218 354 G C 0.459 175.418 174.900 0.100 0.000 1.170 354 G CA 0.192 45.341 45.100 0.082 0.000 0.769 354 G HN 0.522 nan 8.290 nan 0.000 0.546 355 Q N 0.118 119.981 119.800 0.104 0.000 2.341 355 Q HA 0.453 4.774 4.340 -0.032 0.000 0.268 355 Q C -1.345 174.752 176.000 0.162 0.000 1.013 355 Q CA -1.061 54.811 55.803 0.115 0.000 0.798 355 Q CB 1.173 29.952 28.738 0.068 0.000 1.253 355 Q HN 0.276 nan 8.270 nan 0.000 0.457 356 Y N 3.254 123.614 120.300 0.100 0.000 2.442 356 Y HA 0.346 4.877 4.550 -0.032 0.000 0.330 356 Y C -0.890 175.092 175.900 0.136 0.000 1.129 356 Y CA 0.375 58.554 58.100 0.132 0.000 1.365 356 Y CB 0.822 39.302 38.460 0.034 0.000 1.233 356 Y HN 0.585 nan 8.280 nan 0.000 0.529 357 D N 5.143 125.217 120.400 -0.544 0.000 2.478 357 D HA 0.326 4.947 4.640 -0.032 0.000 0.240 357 D C 0.480 176.547 176.300 -0.389 0.000 1.364 357 D CA 0.241 54.001 54.000 -0.399 0.000 0.987 357 D CB 1.411 42.143 40.800 -0.114 0.000 1.328 357 D HN 0.793 nan 8.370 nan 0.000 0.584 358 A N 2.759 125.273 122.820 -0.509 0.000 1.894 358 A HA -0.304 3.997 4.320 -0.032 0.000 0.220 358 A C 2.068 179.680 177.584 0.048 0.000 1.237 358 A CA 3.256 55.193 52.037 -0.167 0.000 0.660 358 A CB -1.402 17.584 19.000 -0.024 0.000 0.835 358 A HN 0.704 nan 8.150 nan 0.000 0.461 359 T N -2.389 112.170 114.554 0.009 0.000 2.849 359 T HA -0.174 4.156 4.350 -0.032 0.000 0.270 359 T C 1.600 176.313 174.700 0.023 0.000 1.066 359 T CA 1.750 63.863 62.100 0.022 0.000 1.130 359 T CB -0.340 68.525 68.868 -0.005 0.000 0.864 359 T HN 0.501 nan 8.240 nan 0.000 0.481 360 K N -0.008 120.398 120.400 0.010 0.000 2.589 360 K HA 0.122 4.423 4.320 -0.032 0.000 0.192 360 K C -0.876 175.528 176.600 -0.328 0.000 1.029 360 K CA 0.129 56.339 56.287 -0.130 0.000 1.031 360 K CB -0.120 32.266 32.500 -0.190 0.000 0.821 360 K HN 0.411 nan 8.250 nan 0.000 0.502 361 F N 0.407 120.335 119.950 -0.037 0.000 2.540 361 F HA 0.361 4.869 4.527 -0.032 0.000 0.317 361 F C -0.298 175.515 175.800 0.022 0.000 1.104 361 F CA -0.980 57.027 58.000 0.013 0.000 0.913 361 F CB 1.645 40.663 39.000 0.030 0.000 1.170 361 F HN -0.405 nan 8.300 nan 0.000 0.450 362 K N 2.091 122.620 120.400 0.215 0.000 2.185 362 K HA 0.422 4.723 4.320 -0.032 0.000 0.269 362 K C -0.893 175.770 176.600 0.106 0.000 0.987 362 K CA -0.972 55.380 56.287 0.109 0.000 0.865 362 K CB 1.840 34.396 32.500 0.093 0.000 1.090 362 K HN 0.485 nan 8.250 nan 0.000 0.450 363 Q N 2.434 122.198 119.800 -0.060 0.000 2.314 363 Q HA 0.278 4.599 4.340 -0.032 0.000 0.259 363 Q C -1.583 174.295 176.000 -0.203 0.000 0.951 363 Q CA -0.198 55.595 55.803 -0.017 0.000 0.909 363 Q CB 0.647 29.383 28.738 -0.003 0.000 1.236 363 Q HN 0.377 nan 8.270 nan 0.000 0.444 364 Y N 0.268 120.584 120.300 0.027 0.000 2.602 364 Y HA 0.696 5.226 4.550 -0.033 0.000 0.330 364 Y C -0.078 175.800 175.900 -0.038 0.000 1.114 364 Y CA -0.975 57.125 58.100 -0.000 0.000 1.182 364 Y CB 2.405 40.868 38.460 0.005 0.000 1.305 364 Y HN 0.471 nan 8.280 nan 0.000 0.502 365 S N 1.615 117.344 115.700 0.048 0.000 2.614 365 S HA 0.698 5.149 4.470 -0.032 0.000 0.288 365 S C -1.480 173.064 174.600 -0.094 0.000 1.137 365 S CA -0.747 57.411 58.200 -0.070 0.000 0.992 365 S CB 0.383 63.443 63.200 -0.234 0.000 1.026 365 S HN 0.516 nan 8.310 nan 0.000 0.486 366 R N 2.951 123.426 120.500 -0.042 0.000 2.628 366 R HA 0.412 4.733 4.340 -0.032 0.000 0.288 366 R C -1.029 175.298 176.300 0.044 0.000 0.980 366 R CA -0.628 55.461 56.100 -0.018 0.000 0.891 366 R CB 1.290 31.590 30.300 -0.000 0.000 1.188 366 R HN 0.859 nan 8.270 nan 0.000 0.450 367 H N 1.339 120.373 119.070 -0.060 0.000 2.569 367 H HA 0.618 5.154 4.556 -0.032 0.000 0.357 367 H C -1.001 174.334 175.328 0.011 0.000 1.153 367 H CA -0.805 55.229 56.048 -0.023 0.000 1.193 367 H CB 1.950 31.702 29.762 -0.016 0.000 1.602 367 H HN 0.177 nan 8.280 nan 0.000 0.523 368 V N 3.091 122.626 119.914 -0.631 0.000 2.815 368 V HA 0.255 4.355 4.120 -0.032 0.000 0.314 368 V C -0.622 175.165 176.094 -0.512 0.000 1.064 368 V CA -0.632 61.436 62.300 -0.387 0.000 0.952 368 V CB 1.973 33.691 31.823 -0.176 0.000 1.020 368 V HN 0.767 nan 8.190 nan 0.000 0.439 369 E N 1.872 121.977 120.200 -0.159 0.000 2.290 369 E HA 0.477 4.807 4.350 -0.032 0.000 0.274 369 E C -1.267 175.399 176.600 0.109 0.000 0.889 369 E CA -0.442 55.954 56.400 -0.006 0.000 0.760 369 E CB 1.892 31.705 29.700 0.188 0.000 1.206 369 E HN 0.729 nan 8.360 nan 0.000 0.419 370 E N 4.070 124.259 120.200 -0.018 0.000 2.255 370 E HA 0.315 4.646 4.350 -0.032 0.000 0.256 370 E C -1.315 175.168 176.600 -0.195 0.000 0.887 370 E CA -0.517 55.878 56.400 -0.009 0.000 0.782 370 E CB 0.612 30.286 29.700 -0.042 0.000 1.214 370 E HN 0.407 nan 8.360 nan 0.000 0.417 371 Y N 1.560 121.813 120.300 -0.078 0.000 2.602 371 Y HA 0.482 5.013 4.550 -0.032 0.000 0.330 371 Y C 0.012 175.768 175.900 -0.242 0.000 1.114 371 Y CA -0.866 57.105 58.100 -0.215 0.000 1.182 371 Y CB 1.510 39.752 38.460 -0.365 0.000 1.305 371 Y HN 0.411 nan 8.280 nan 0.000 0.502 372 D N 1.298 121.611 120.400 -0.144 0.000 2.591 372 D HA 0.249 4.869 4.640 -0.032 0.000 0.222 372 D C -1.941 174.176 176.300 -0.304 0.000 1.360 372 D CA -0.234 53.652 54.000 -0.189 0.000 0.967 372 D CB 0.922 41.642 40.800 -0.134 0.000 1.456 372 D HN 0.555 nan 8.370 nan 0.000 0.588 373 L N 2.564 123.557 121.223 -0.382 0.000 2.289 373 L HA 0.472 4.793 4.340 -0.032 0.000 0.285 373 L C 0.416 176.961 176.870 -0.542 0.000 1.049 373 L CA -0.711 53.806 54.840 -0.538 0.000 0.804 373 L CB 1.564 43.304 42.059 -0.532 0.000 1.195 373 L HN 0.219 nan 8.230 nan 0.000 0.428 374 Q N 2.961 122.308 119.800 -0.754 0.000 2.306 374 Q HA 0.733 5.054 4.340 -0.032 0.000 0.265 374 Q C -1.467 173.886 176.000 -1.080 0.000 1.022 374 Q CA -0.579 54.799 55.803 -0.709 0.000 0.853 374 Q CB 2.700 31.197 28.738 -0.400 0.000 1.327 374 Q HN 0.384 nan 8.270 nan 0.000 0.449 375 F N 0.400 119.941 119.950 -0.681 0.000 2.643 375 F HA 0.544 5.052 4.527 -0.031 0.000 0.314 375 F C -0.703 174.585 175.800 -0.853 0.000 1.096 375 F CA -1.089 56.434 58.000 -0.794 0.000 0.953 375 F CB 1.412 39.761 39.000 -1.084 0.000 1.345 375 F HN 0.279 nan 8.300 nan 0.000 0.468 376 I N 2.169 122.397 120.570 -0.570 0.000 2.447 376 I HA 0.382 4.533 4.170 -0.032 0.000 0.287 376 I C -1.094 174.717 176.117 -0.510 0.000 1.023 376 I CA -0.945 60.048 61.300 -0.512 0.000 1.083 376 I CB 1.273 38.961 38.000 -0.520 0.000 1.245 376 I HN 0.429 nan 8.210 nan 0.000 0.434 377 F N 3.954 123.754 119.950 -0.249 0.000 2.522 377 F HA 0.489 4.997 4.527 -0.031 0.000 0.324 377 F C 0.430 176.284 175.800 0.090 0.000 1.077 377 F CA -0.699 57.203 58.000 -0.164 0.000 0.944 377 F CB 1.936 40.648 39.000 -0.480 0.000 1.175 377 F HN 0.351 nan 8.300 nan 0.000 0.468 378 Q N 2.963 123.007 119.800 0.406 0.000 2.322 378 Q HA 0.448 4.768 4.340 -0.032 0.000 0.265 378 Q C -1.470 174.736 176.000 0.345 0.000 0.985 378 Q CA -1.161 54.777 55.803 0.225 0.000 0.849 378 Q CB 1.943 30.722 28.738 0.068 0.000 1.274 378 Q HN 0.695 nan 8.270 nan 0.000 0.449 379 L N 3.955 125.365 121.223 0.313 0.000 2.410 379 L HA 0.289 4.610 4.340 -0.032 0.000 0.273 379 L C -1.301 175.526 176.870 -0.072 0.000 1.152 379 L CA 0.425 55.326 54.840 0.103 0.000 0.855 379 L CB 0.569 42.645 42.059 0.028 0.000 1.129 379 L HN 0.796 nan 8.230 nan 0.000 0.463 380 C N 2.386 121.595 119.300 -0.152 0.000 2.779 380 C HA 0.829 5.269 4.460 -0.032 0.000 0.314 380 C C 0.148 175.037 174.990 -0.167 0.000 1.231 380 C CA -0.517 58.423 59.018 -0.129 0.000 1.652 380 C CB 1.912 29.598 27.740 -0.091 0.000 2.198 380 C HN 0.897 nan 8.230 nan 0.000 0.483 381 T N -0.343 114.150 114.554 -0.102 0.000 2.885 381 T HA 0.812 5.143 4.350 -0.032 0.000 0.285 381 T C -0.985 173.716 174.700 0.001 0.000 1.019 381 T CA -0.447 61.605 62.100 -0.080 0.000 1.010 381 T CB 0.851 69.697 68.868 -0.037 0.000 1.022 381 T HN 0.515 nan 8.240 nan 0.000 0.466 382 I N 2.483 123.062 120.570 0.015 0.000 2.410 382 I HA 0.274 4.425 4.170 -0.032 0.000 0.286 382 I C -0.035 176.122 176.117 0.067 0.000 1.009 382 I CA -0.827 60.544 61.300 0.118 0.000 1.111 382 I CB 2.192 40.326 38.000 0.224 0.000 1.262 382 I HN 0.701 nan 8.210 nan 0.000 0.443 383 T N 7.173 121.780 114.554 0.088 0.000 2.723 383 T HA 0.344 4.675 4.350 -0.032 0.000 0.297 383 T C 0.277 175.019 174.700 0.071 0.000 0.925 383 T CA -0.367 61.766 62.100 0.054 0.000 1.030 383 T CB 0.221 69.118 68.868 0.048 0.000 0.905 383 T HN 0.295 nan 8.240 nan 0.000 0.502 384 L N 5.298 126.549 121.223 0.047 0.000 2.485 384 L HA 0.251 4.572 4.340 -0.032 0.000 0.279 384 L C 1.326 178.224 176.870 0.047 0.000 1.124 384 L CA -0.240 54.641 54.840 0.068 0.000 0.888 384 L CB -0.357 41.737 42.059 0.058 0.000 1.217 384 L HN 0.795 nan 8.230 nan 0.000 0.464 385 T N -0.621 113.963 114.554 0.049 0.000 2.762 385 T HA 0.623 4.954 4.350 -0.032 0.000 0.272 385 T C 1.001 175.719 174.700 0.029 0.000 0.982 385 T CA -0.060 62.058 62.100 0.031 0.000 1.013 385 T CB 1.614 70.497 68.868 0.025 0.000 1.309 385 T HN 0.359 nan 8.240 nan 0.000 0.572 386 A N 1.471 124.303 122.820 0.019 0.000 1.827 386 A HA -0.106 4.194 4.320 -0.032 0.000 0.215 386 A C 1.944 179.538 177.584 0.017 0.000 1.212 386 A CA 2.456 54.503 52.037 0.016 0.000 0.624 386 A CB -1.774 17.232 19.000 0.011 0.000 0.853 386 A HN 1.024 nan 8.150 nan 0.000 0.450 387 D N 0.012 120.419 120.400 0.011 0.000 2.133 387 D HA -0.184 4.437 4.640 -0.032 0.000 0.192 387 D C 1.599 177.903 176.300 0.007 0.000 1.001 387 D CA 1.793 55.799 54.000 0.009 0.000 0.844 387 D CB -1.222 39.573 40.800 -0.007 0.000 0.944 387 D HN 0.192 nan 8.370 nan 0.000 0.447 388 V N 0.214 120.123 119.914 -0.007 0.000 2.252 388 V HA -0.320 3.781 4.120 -0.032 0.000 0.249 388 V C 2.731 178.844 176.094 0.032 0.000 1.056 388 V CA 2.239 64.528 62.300 -0.019 0.000 1.022 388 V CB -0.581 31.259 31.823 0.028 0.000 0.641 388 V HN 0.226 nan 8.190 nan 0.000 0.445 389 M N 0.474 120.103 119.600 0.049 0.000 2.117 389 M HA -0.167 4.293 4.480 -0.032 0.000 0.262 389 M C 2.449 178.756 176.300 0.012 0.000 1.065 389 M CA 2.217 57.545 55.300 0.046 0.000 1.114 389 M CB -0.372 32.258 32.600 0.050 0.000 1.361 389 M HN 0.607 nan 8.290 nan 0.000 0.408 390 S N -0.707 115.005 115.700 0.019 0.000 2.399 390 S HA -0.213 4.238 4.470 -0.032 0.000 0.231 390 S C 1.770 176.378 174.600 0.013 0.000 1.022 390 S CA 1.065 59.269 58.200 0.007 0.000 0.983 390 S CB -0.921 62.289 63.200 0.017 0.000 0.803 390 S HN 0.604 nan 8.310 nan 0.000 0.480 391 Y N 2.263 122.495 120.300 -0.114 0.000 2.153 391 Y HA 0.141 4.672 4.550 -0.033 0.000 0.289 391 Y C 2.036 177.823 175.900 -0.189 0.000 1.127 391 Y CA 1.323 59.335 58.100 -0.147 0.000 1.131 391 Y CB -0.356 37.971 38.460 -0.220 0.000 0.995 391 Y HN 0.186 nan 8.280 nan 0.000 0.505 392 I N 0.578 121.090 120.570 -0.096 0.000 2.700 392 I HA -0.268 3.883 4.170 -0.032 0.000 0.261 392 I C 2.166 178.093 176.117 -0.316 0.000 1.219 392 I CA 1.369 62.510 61.300 -0.264 0.000 1.463 392 I CB -0.357 37.543 38.000 -0.166 0.000 1.092 392 I HN 0.378 nan 8.210 nan 0.000 0.452 393 Q N 1.088 120.761 119.800 -0.210 0.000 2.020 393 Q HA -0.126 4.195 4.340 -0.032 0.000 0.198 393 Q C 2.291 178.168 176.000 -0.204 0.000 0.974 393 Q CA 2.208 57.903 55.803 -0.180 0.000 0.829 393 Q CB -0.107 28.569 28.738 -0.102 0.000 0.894 393 Q HN 0.338 nan 8.270 nan 0.000 0.433 394 S N 0.533 116.114 115.700 -0.199 0.000 2.353 394 S HA -0.246 4.205 4.470 -0.032 0.000 0.222 394 S C 1.848 176.288 174.600 -0.266 0.000 1.035 394 S CA 1.583 59.674 58.200 -0.182 0.000 1.025 394 S CB -0.539 62.575 63.200 -0.144 0.000 0.902 394 S HN 0.532 nan 8.310 nan 0.000 0.440 395 M N 1.228 120.542 119.600 -0.476 0.000 2.180 395 M HA -0.142 4.319 4.480 -0.032 0.000 0.260 395 M C 0.467 176.387 176.300 -0.633 0.000 1.071 395 M CA 1.715 56.537 55.300 -0.797 0.000 1.096 395 M CB -0.053 31.964 32.600 -0.972 0.000 1.276 395 M HN 0.301 nan 8.290 nan 0.000 0.426 396 N N -0.576 117.817 118.700 -0.512 0.000 2.747 396 N HA 0.086 4.807 4.740 -0.032 0.000 0.262 396 N C 0.427 175.742 175.510 -0.325 0.000 1.261 396 N CA 0.275 53.094 53.050 -0.385 0.000 0.809 396 N CB 0.903 39.154 38.487 -0.395 0.000 1.450 396 N HN 0.351 nan 8.380 nan 0.000 0.560 397 S N 1.156 116.710 115.700 -0.244 0.000 2.380 397 S HA -0.251 4.200 4.470 -0.032 0.000 0.229 397 S C 1.912 176.384 174.600 -0.214 0.000 1.043 397 S CA 1.952 60.027 58.200 -0.208 0.000 1.038 397 S CB -0.534 62.577 63.200 -0.149 0.000 0.872 397 S HN 0.615 nan 8.310 nan 0.000 0.456 398 S N 2.289 117.888 115.700 -0.168 0.000 2.440 398 S HA -0.043 4.408 4.470 -0.032 0.000 0.240 398 S C 1.775 176.215 174.600 -0.266 0.000 1.014 398 S CA 1.220 59.347 58.200 -0.121 0.000 0.980 398 S CB -1.008 62.208 63.200 0.027 0.000 0.775 398 S HN 0.625 nan 8.310 nan 0.000 0.499 399 I N 1.310 121.655 120.570 -0.374 0.000 2.127 399 I HA -0.173 3.977 4.170 -0.032 0.000 0.241 399 I C 2.406 177.861 176.117 -1.103 0.000 1.075 399 I CA 1.483 62.319 61.300 -0.773 0.000 1.334 399 I CB -0.477 37.026 38.000 -0.829 0.000 1.040 399 I HN 0.321 nan 8.210 nan 0.000 0.405 400 L N 0.136 120.938 121.223 -0.701 0.000 2.217 400 L HA -0.169 4.152 4.340 -0.032 0.000 0.211 400 L C 2.443 179.181 176.870 -0.221 0.000 1.107 400 L CA 0.991 55.585 54.840 -0.409 0.000 0.783 400 L CB -0.398 41.552 42.059 -0.181 0.000 0.919 400 L HN 0.280 nan 8.230 nan 0.000 0.442 401 E N 0.169 120.222 120.200 -0.244 0.000 2.047 401 E HA -0.214 4.117 4.350 -0.032 0.000 0.191 401 E C 1.556 178.084 176.600 -0.120 0.000 0.987 401 E CA 1.222 57.539 56.400 -0.139 0.000 0.799 401 E CB 0.190 29.816 29.700 -0.124 0.000 0.752 401 E HN 0.402 nan 8.360 nan 0.000 0.449 402 D N -0.405 119.857 120.400 -0.230 0.000 2.265 402 D HA -0.173 4.448 4.640 -0.032 0.000 0.208 402 D C 1.079 177.420 176.300 0.067 0.000 0.977 402 D CA 0.663 54.581 54.000 -0.136 0.000 0.871 402 D CB -0.172 40.477 40.800 -0.252 0.000 0.925 402 D HN 0.398 nan 8.370 nan 0.000 0.485 403 W N 1.119 122.376 121.300 -0.073 0.000 3.139 403 W HA 0.158 4.799 4.660 -0.033 0.000 0.260 403 W C 0.548 177.047 176.519 -0.032 0.000 1.312 403 W CA -0.311 57.007 57.345 -0.045 0.000 1.606 403 W CB -0.854 28.586 29.460 -0.033 0.000 1.118 403 W HN -0.107 nan 8.180 nan 0.000 0.675 439 K N 1.264 121.657 120.400 -0.012 0.000 2.367 439 K HA 0.287 4.588 4.320 -0.032 0.000 0.263 439 K C -1.119 175.457 176.600 -0.040 0.000 1.000 439 K CA -0.443 55.832 56.287 -0.020 0.000 0.891 439 K CB 0.577 33.061 32.500 -0.027 0.000 1.117 439 K HN 0.359 nan 8.250 nan 0.000 0.443 440 D N 4.497 124.879 120.400 -0.031 0.000 2.264 440 D HA 0.110 4.730 4.640 -0.032 0.000 0.250 440 D C -1.518 174.706 176.300 -0.127 0.000 1.113 440 D CA -1.744 52.216 54.000 -0.068 0.000 0.871 440 D CB 1.452 42.259 40.800 0.011 0.000 1.167 440 D HN 0.276 nan 8.370 nan 0.000 0.447 441 P HA -0.069 nan 4.420 nan 0.000 0.237 441 P C 0.375 177.536 177.300 -0.232 0.000 1.178 441 P CA 0.670 63.572 63.100 -0.331 0.000 0.766 441 P CB -0.087 31.317 31.700 -0.492 0.000 0.876 442 Y N -0.693 119.664 120.300 0.095 0.000 2.555 442 Y HA 0.171 4.702 4.550 -0.031 0.000 0.259 442 Y C 1.431 177.422 175.900 0.151 0.000 1.179 442 Y CA -0.600 57.610 58.100 0.184 0.000 1.230 442 Y CB 0.013 38.695 38.460 0.371 0.000 1.146 442 Y HN -0.134 nan 8.280 nan 0.000 0.526 443 D N 0.308 120.809 120.400 0.169 0.000 2.349 443 D HA -0.048 4.573 4.640 -0.032 0.000 0.224 443 D C 1.557 177.895 176.300 0.063 0.000 1.029 443 D CA 0.678 54.747 54.000 0.115 0.000 0.879 443 D CB 0.287 41.126 40.800 0.065 0.000 0.906 443 D HN 0.302 nan 8.370 nan 0.000 0.528 444 K N -0.250 120.183 120.400 0.055 0.000 2.284 444 K HA 0.141 4.442 4.320 -0.032 0.000 0.198 444 K C 0.987 177.552 176.600 -0.059 0.000 1.048 444 K CA 0.091 56.379 56.287 0.001 0.000 0.987 444 K CB 0.829 33.332 32.500 0.005 0.000 0.800 444 K HN 0.160 nan 8.250 nan 0.000 0.486 445 L N 2.191 123.352 121.223 -0.103 0.000 2.399 445 L HA 0.188 4.509 4.340 -0.032 0.000 0.266 445 L C 0.318 176.850 176.870 -0.563 0.000 1.114 445 L CA -0.736 53.911 54.840 -0.322 0.000 0.804 445 L CB 0.514 42.347 42.059 -0.376 0.000 1.146 445 L HN -0.217 nan 8.230 nan 0.000 0.451 446 K N 2.879 122.913 120.400 -0.610 0.000 2.227 446 K HA 0.540 4.841 4.320 -0.032 0.000 0.280 446 K C -0.955 175.258 176.600 -0.645 0.000 1.041 446 K CA 0.102 56.105 56.287 -0.473 0.000 0.905 446 K CB 0.954 33.311 32.500 -0.238 0.000 1.068 446 K HN 0.303 nan 8.250 nan 0.000 0.470 447 F N 0.442 120.420 119.950 0.046 0.000 2.613 447 F HA 0.282 4.789 4.527 -0.033 0.000 0.314 447 F C -0.128 175.723 175.800 0.085 0.000 1.075 447 F CA -1.253 56.788 58.000 0.069 0.000 0.945 447 F CB 1.591 40.657 39.000 0.109 0.000 1.310 447 F HN 0.381 nan 8.300 nan 0.000 0.467 448 W N 4.482 125.822 121.300 0.067 0.000 2.387 448 W HA 0.268 4.909 4.660 -0.032 0.000 0.310 448 W C -0.962 175.603 176.519 0.077 0.000 1.181 448 W CA -0.886 56.440 57.345 -0.031 0.000 1.333 448 W CB 0.300 29.575 29.460 -0.309 0.000 1.286 448 W HN 0.411 nan 8.180 nan 0.000 0.455 449 N N 4.786 123.774 118.700 0.480 0.000 2.444 449 N HA 0.223 4.944 4.740 -0.032 0.000 0.271 449 N C -1.100 174.623 175.510 0.354 0.000 1.069 449 N CA -0.127 53.118 53.050 0.325 0.000 0.965 449 N CB 2.045 40.657 38.487 0.209 0.000 1.092 449 N HN 0.077 nan 8.380 nan 0.000 0.476 450 V N 2.402 122.449 119.914 0.222 0.000 2.380 450 V HA 0.102 4.203 4.120 -0.032 0.000 0.286 450 V C -0.059 176.087 176.094 0.087 0.000 1.015 450 V CA -0.922 61.480 62.300 0.170 0.000 0.834 450 V CB 1.669 33.557 31.823 0.108 0.000 1.009 450 V HN 0.528 nan 8.190 nan 0.000 0.428 451 D N 4.846 125.300 120.400 0.090 0.000 2.316 451 D HA 0.307 4.928 4.640 -0.032 0.000 0.245 451 D C 0.276 176.604 176.300 0.048 0.000 1.171 451 D CA -0.078 53.952 54.000 0.050 0.000 0.856 451 D CB 1.602 42.437 40.800 0.059 0.000 1.090 451 D HN 0.490 nan 8.370 nan 0.000 0.476 452 L N 3.854 125.091 121.223 0.023 0.000 3.014 452 L HA 0.175 4.496 4.340 -0.032 0.000 0.263 452 L C 1.946 178.855 176.870 0.066 0.000 1.207 452 L CA -0.273 54.609 54.840 0.070 0.000 1.017 452 L CB 0.348 42.464 42.059 0.095 0.000 1.360 452 L HN 0.173 nan 8.230 nan 0.000 0.560 453 K N 0.460 120.846 120.400 -0.024 0.000 2.147 453 K HA -0.094 4.206 4.320 -0.032 0.000 0.205 453 K C 1.024 177.631 176.600 0.012 0.000 1.049 453 K CA 0.927 57.153 56.287 -0.102 0.000 0.936 453 K CB 0.201 32.663 32.500 -0.065 0.000 0.722 453 K HN 0.157 nan 8.250 nan 0.000 0.446 454 E N 0.579 120.825 120.200 0.077 0.000 2.368 454 E HA 0.014 4.345 4.350 -0.032 0.000 0.188 454 E C 0.327 177.029 176.600 0.169 0.000 1.061 454 E CA 0.384 56.858 56.400 0.124 0.000 0.933 454 E CB 0.497 30.258 29.700 0.101 0.000 1.091 454 E HN 0.189 nan 8.360 nan 0.000 0.458 455 K N -0.183 120.346 120.400 0.216 0.000 2.520 455 K HA 0.169 4.470 4.320 -0.032 0.000 0.206 455 K C 0.031 176.790 176.600 0.264 0.000 1.122 455 K CA -0.310 56.106 56.287 0.214 0.000 1.045 455 K CB 0.683 33.269 32.500 0.142 0.000 0.932 455 K HN -0.058 nan 8.250 nan 0.000 0.571 456 F N 1.585 121.566 119.950 0.051 0.000 2.429 456 F HA 0.258 4.766 4.527 -0.032 0.000 0.348 456 F C 0.911 176.894 175.800 0.305 0.000 1.109 456 F CA -0.207 57.855 58.000 0.104 0.000 1.232 456 F CB 1.310 40.263 39.000 -0.080 0.000 1.157 456 F HN -0.242 nan 8.300 nan 0.000 0.564 457 S N 2.449 118.410 115.700 0.435 0.000 2.564 457 S HA 0.582 5.032 4.470 -0.032 0.000 0.274 457 S C 0.151 174.899 174.600 0.248 0.000 1.124 457 S CA -0.616 57.797 58.200 0.355 0.000 0.869 457 S CB 1.120 64.477 63.200 0.262 0.000 1.105 457 S HN 0.627 nan 8.310 nan 0.000 0.472 458 L N 1.344 122.640 121.223 0.122 0.000 2.556 458 L HA 0.277 4.598 4.340 -0.032 0.000 0.226 458 L C -0.441 176.440 176.870 0.017 0.000 1.089 458 L CA 0.184 54.960 54.840 -0.107 0.000 0.864 458 L CB 0.088 42.038 42.059 -0.182 0.000 1.067 458 L HN 0.602 nan 8.230 nan 0.000 0.477 459 D N 0.177 120.641 120.400 0.106 0.000 2.479 459 D HA 0.171 4.792 4.640 -0.032 0.000 0.218 459 D C 1.084 177.477 176.300 0.156 0.000 1.131 459 D CA -0.211 53.849 54.000 0.100 0.000 0.916 459 D CB 0.503 41.340 40.800 0.063 0.000 1.022 459 D HN 0.021 nan 8.370 nan 0.000 0.515 460 L N 0.584 121.898 121.223 0.152 0.000 2.093 460 L HA -0.117 4.203 4.340 -0.032 0.000 0.208 460 L C 2.083 179.041 176.870 0.146 0.000 1.085 460 L CA 0.925 55.886 54.840 0.202 0.000 0.755 460 L CB -0.360 41.826 42.059 0.211 0.000 0.904 460 L HN 0.434 nan 8.230 nan 0.000 0.435 461 D N 0.382 120.830 120.400 0.080 0.000 2.292 461 D HA -0.243 4.378 4.640 -0.032 0.000 0.205 461 D C 1.616 177.885 176.300 -0.052 0.000 0.994 461 D CA 1.170 55.182 54.000 0.020 0.000 0.897 461 D CB 0.200 41.004 40.800 0.006 0.000 0.907 461 D HN 0.410 nan 8.370 nan 0.000 0.467 462 Q N -0.817 118.912 119.800 -0.119 0.000 2.360 462 Q HA 0.032 4.352 4.340 -0.032 0.000 0.202 462 Q C -0.460 175.126 176.000 -0.689 0.000 0.915 462 Q CA 0.272 55.844 55.803 -0.385 0.000 0.943 462 Q CB 0.411 28.828 28.738 -0.535 0.000 1.064 462 Q HN 0.444 nan 8.270 nan 0.000 0.511 463 Y N -0.532 119.671 120.300 -0.161 0.000 2.524 463 Y HA 0.236 4.767 4.550 -0.033 0.000 0.347 463 Y C -1.619 174.235 175.900 -0.076 0.000 1.005 463 Y CA -2.385 55.585 58.100 -0.217 0.000 1.025 463 Y CB 1.418 39.471 38.460 -0.679 0.000 1.275 463 Y HN -0.174 nan 8.280 nan 0.000 0.460 464 P HA -0.276 nan 4.420 nan 0.000 0.209 464 P C 1.754 179.136 177.300 0.137 0.000 1.167 464 P CA 1.696 64.845 63.100 0.082 0.000 0.941 464 P CB 0.529 32.263 31.700 0.058 0.000 0.787 465 L N -0.717 120.608 121.223 0.169 0.000 2.081 465 L HA -0.157 4.164 4.340 -0.032 0.000 0.212 465 L C 2.660 179.717 176.870 0.311 0.000 1.080 465 L CA 2.168 57.120 54.840 0.187 0.000 0.754 465 L CB -1.323 40.797 42.059 0.101 0.000 0.893 465 L HN 0.089 nan 8.230 nan 0.000 0.433 466 G N -0.329 108.672 108.800 0.334 0.000 2.480 466 G HA2 -0.283 3.658 3.960 -0.032 0.000 0.216 466 G HA3 -0.283 3.658 3.960 -0.032 0.000 0.216 466 G C 1.548 176.598 174.900 0.251 0.000 1.200 466 G CA 0.760 46.046 45.100 0.309 0.000 0.782 466 G HN 0.352 nan 8.290 nan 0.000 0.554 467 R N 0.476 121.071 120.500 0.158 0.000 2.097 467 R HA -0.095 4.226 4.340 -0.032 0.000 0.236 467 R C 2.621 178.976 176.300 0.093 0.000 1.135 467 R CA 1.593 57.746 56.100 0.089 0.000 0.934 467 R CB -0.500 29.828 30.300 0.047 0.000 0.846 467 R HN 0.272 nan 8.270 nan 0.000 0.431 468 K N 0.042 120.534 120.400 0.153 0.000 2.077 468 K HA -0.233 4.068 4.320 -0.032 0.000 0.213 468 K C 1.959 178.672 176.600 0.188 0.000 1.051 468 K CA 1.991 58.406 56.287 0.213 0.000 0.929 468 K CB -0.364 32.327 32.500 0.318 0.000 0.715 468 K HN 0.096 nan 8.250 nan 0.000 0.451 469 F N 1.546 121.551 119.950 0.091 0.000 2.102 469 F HA -0.159 4.348 4.527 -0.033 0.000 0.298 469 F C 1.689 177.260 175.800 -0.382 0.000 1.105 469 F CA 1.303 59.089 58.000 -0.358 0.000 1.239 469 F CB -0.304 38.591 39.000 -0.176 0.000 0.991 469 F HN -0.080 nan 8.300 nan 0.000 0.474 470 L N -0.490 120.578 121.223 -0.259 0.000 2.081 470 L HA -0.265 4.056 4.340 -0.032 0.000 0.212 470 L C 2.388 179.057 176.870 -0.335 0.000 1.080 470 L CA 1.213 55.852 54.840 -0.336 0.000 0.754 470 L CB -1.001 40.997 42.059 -0.101 0.000 0.893 470 L HN 0.079 nan 8.230 nan 0.000 0.433 471 V N -0.405 119.369 119.914 -0.234 0.000 2.237 471 V HA -0.317 3.784 4.120 -0.032 0.000 0.245 471 V C 2.479 178.398 176.094 -0.292 0.000 1.046 471 V CA 2.038 64.222 62.300 -0.194 0.000 1.007 471 V CB -0.677 31.088 31.823 -0.096 0.000 0.638 471 V HN 0.563 nan 8.190 nan 0.000 0.445 472 Q N 0.117 119.671 119.800 -0.410 0.000 2.368 472 Q HA -0.194 4.127 4.340 -0.032 0.000 0.210 472 Q C 1.975 177.657 176.000 -0.531 0.000 0.982 472 Q CA 1.843 57.355 55.803 -0.486 0.000 0.884 472 Q CB -0.123 28.142 28.738 -0.788 0.000 0.933 472 Q HN 0.649 nan 8.270 nan 0.000 0.460 473 A N -0.934 121.506 122.820 -0.633 0.000 2.081 473 A HA 0.305 4.605 4.320 -0.032 0.000 0.214 473 A C 1.644 179.022 177.584 -0.344 0.000 1.158 473 A CA 1.362 53.041 52.037 -0.596 0.000 0.724 473 A CB 0.074 18.587 19.000 -0.813 0.000 0.826 473 A HN 0.575 nan 8.150 nan 0.000 0.463 474 G N -0.969 107.662 108.800 -0.282 0.000 3.031 474 G HA2 -0.152 3.788 3.960 -0.032 0.000 0.198 474 G HA3 -0.152 3.788 3.960 -0.032 0.000 0.198 474 G C 0.422 175.234 174.900 -0.148 0.000 1.242 474 G CA -0.195 44.797 45.100 -0.180 0.000 0.878 474 G HN 0.918 nan 8.290 nan 0.000 0.493 475 L N 0.000 121.131 121.223 -0.154 0.000 2.949 475 L HA 0.000 4.321 4.340 -0.032 0.000 0.249 475 L CA 0.000 54.774 54.840 -0.110 0.000 0.813 475 L CB 0.000 42.005 42.059 -0.090 0.000 0.961 475 L HN 0.000 nan 8.230 nan 0.000 0.502