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 1kwh_1_A DATA FIRST_RESID 1 DATA SEQUENCE KEATWVTDKP LTLKIHMHFR DKWVWDENWP VAKESFRLTN VKLQSVANKA DATA SEQUENCE ATNSQEQFNL MMASGDLPDV VGGDNLKDKF IQYGQEGAFV PLNKLIDQYA DATA SEQUENCE PHIKAFFKSH PEVERAIKAP DGNIYFIPYV PDGVVARGYF IREDWLKKLN DATA SEQUENCE LKPPQNIDEL YTVLKAFKEK DPNGNGKADE VPFIDRHPDE VFRLVNFWGA DATA SEQUENCE RSSGSDNYMD FYIDNGRVKH PWAETAFRDG MKHVAQWYKE GLIDKEIFTR DATA SEQUENCE KAKAREQMFG GNLGGFTHDW FASTMTFNEG LAKTVPGFKL IPIAPPTNSK DATA SEQUENCE GQRWEEDSRQ KVRPDGWAIT VKNKNPVETI KFFDFYFSRP GRDISNFGVP DATA SEQUENCE GVTYDIKNGK AVFKDSVLKS PQPVNNQLYD MGAQIPIGFW QDYDYERQWT DATA SEQUENCE TPEAQAGIDM YVKGKYVMPG FEGVNMTREE RAIYDKYWAD VRTYMYEMGQ DATA SEQUENCE AWVMGTKDVD KTWDEYQRQL KLRGLYQVLQ MMQQAYDRQY KN VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 K HA 0.000 nan 4.320 nan 0.000 0.191 1 K C 0.000 175.891 176.600 -1.182 0.000 0.988 1 K CA 0.000 55.255 56.287 -1.720 0.000 0.838 1 K CB 0.000 31.949 32.500 -0.918 0.000 1.064 2 E N 1.812 121.111 120.200 -1.502 0.000 2.244 2 E HA 0.382 4.732 4.350 -0.001 0.000 0.266 2 E C 0.348 176.735 176.600 -0.355 0.000 0.914 2 E CA -0.195 55.818 56.400 -0.646 0.000 0.794 2 E CB 1.858 31.323 29.700 -0.391 0.000 1.210 2 E HN 0.713 nan 8.360 nan 0.000 0.414 3 A N 1.046 123.772 122.820 -0.157 0.000 2.125 3 A HA -0.131 4.189 4.320 -0.001 0.000 0.219 3 A C 1.567 179.179 177.584 0.046 0.000 1.156 3 A CA 2.000 54.011 52.037 -0.043 0.000 0.671 3 A CB -0.561 18.432 19.000 -0.012 0.000 0.794 3 A HN 0.563 nan 8.150 nan 0.000 0.459 4 T N -5.541 109.054 114.554 0.068 0.000 3.086 4 T HA 0.098 4.448 4.350 -0.001 0.000 0.250 4 T C 0.039 174.852 174.700 0.189 0.000 1.074 4 T CA -0.572 61.612 62.100 0.141 0.000 0.988 4 T CB -0.343 68.618 68.868 0.155 0.000 0.988 4 T HN 0.329 nan 8.240 nan 0.000 0.530 5 W N 1.871 123.144 121.300 -0.044 0.000 2.347 5 W HA 0.258 4.918 4.660 -0.000 0.000 0.333 5 W C 1.132 177.644 176.519 -0.012 0.000 1.383 5 W CA -1.261 56.052 57.345 -0.053 0.000 1.283 5 W CB 0.181 29.612 29.460 -0.047 0.000 1.253 5 W HN -0.041 nan 8.180 nan 0.000 0.563 6 V N 2.723 122.706 119.914 0.115 0.000 2.599 6 V HA -0.032 4.088 4.120 -0.001 0.000 0.245 6 V C 0.771 176.876 176.094 0.018 0.000 1.046 6 V CA 1.499 63.843 62.300 0.074 0.000 1.065 6 V CB -0.395 31.470 31.823 0.070 0.000 0.703 6 V HN 0.511 nan 8.190 nan 0.000 0.464 7 T N -1.108 113.403 114.554 -0.072 0.000 2.900 7 T HA 0.279 4.629 4.350 -0.001 0.000 0.295 7 T C 0.297 174.910 174.700 -0.145 0.000 1.044 7 T CA -0.329 61.709 62.100 -0.104 0.000 0.995 7 T CB 2.329 71.103 68.868 -0.157 0.000 1.072 7 T HN 0.105 nan 8.240 nan 0.000 0.473 8 D N 0.734 121.105 120.400 -0.048 0.000 2.277 8 D HA 0.021 4.661 4.640 -0.001 0.000 0.208 8 D C 0.240 176.469 176.300 -0.118 0.000 0.962 8 D CA 0.976 54.983 54.000 0.012 0.000 0.865 8 D CB 0.325 41.170 40.800 0.076 0.000 0.939 8 D HN 0.103 nan 8.370 nan 0.000 0.510 9 K N 0.876 121.184 120.400 -0.154 0.000 2.292 9 K HA 0.356 4.675 4.320 -0.001 0.000 0.257 9 K C -2.643 173.839 176.600 -0.197 0.000 0.940 9 K CA -2.239 53.959 56.287 -0.147 0.000 0.811 9 K CB 1.717 34.168 32.500 -0.082 0.000 1.120 9 K HN -0.087 nan 8.250 nan 0.000 0.428 10 P HA -0.056 nan 4.420 nan 0.000 0.260 10 P C -0.733 176.520 177.300 -0.079 0.000 1.172 10 P CA -0.151 62.901 63.100 -0.081 0.000 0.760 10 P CB 0.295 32.029 31.700 0.056 0.000 0.773 11 L N 4.686 125.853 121.223 -0.092 0.000 2.305 11 L HA 0.463 4.803 4.340 -0.001 0.000 0.284 11 L C -0.409 176.347 176.870 -0.190 0.000 1.013 11 L CA 0.173 54.926 54.840 -0.143 0.000 0.819 11 L CB 1.429 43.386 42.059 -0.170 0.000 1.227 11 L HN 0.188 nan 8.230 nan 0.000 0.417 12 T N 6.129 120.566 114.554 -0.195 0.000 2.758 12 T HA 0.653 5.002 4.350 -0.001 0.000 0.285 12 T C -0.639 173.930 174.700 -0.218 0.000 0.981 12 T CA -0.228 61.734 62.100 -0.230 0.000 0.965 12 T CB 0.744 69.493 68.868 -0.198 0.000 0.927 12 T HN 0.270 nan 8.240 nan 0.000 0.448 13 L N 3.309 124.374 121.223 -0.264 0.000 2.346 13 L HA 0.504 4.843 4.340 -0.001 0.000 0.274 13 L C 0.276 177.022 176.870 -0.207 0.000 1.007 13 L CA -0.621 54.073 54.840 -0.243 0.000 0.818 13 L CB 1.449 43.315 42.059 -0.321 0.000 1.284 13 L HN 0.435 nan 8.230 nan 0.000 0.424 14 K N 3.418 123.734 120.400 -0.140 0.000 2.258 14 K HA 0.592 4.912 4.320 -0.001 0.000 0.284 14 K C -0.865 175.698 176.600 -0.061 0.000 1.051 14 K CA -0.205 56.029 56.287 -0.089 0.000 0.923 14 K CB 1.533 34.005 32.500 -0.047 0.000 1.046 14 K HN 0.494 nan 8.250 nan 0.000 0.474 15 I N 2.251 122.793 120.570 -0.047 0.000 2.582 15 I HA 0.193 4.362 4.170 -0.001 0.000 0.292 15 I C -1.128 175.074 176.117 0.142 0.000 1.066 15 I CA -0.777 60.541 61.300 0.030 0.000 1.053 15 I CB 1.557 39.508 38.000 -0.081 0.000 1.241 15 I HN 0.715 nan 8.210 nan 0.000 0.421 16 H N 9.133 128.301 119.070 0.164 0.000 2.623 16 H HA 0.415 4.971 4.556 -0.000 0.000 0.299 16 H C -1.779 173.742 175.328 0.322 0.000 1.052 16 H CA -0.561 55.613 56.048 0.210 0.000 1.231 16 H CB 1.354 31.217 29.762 0.168 0.000 1.389 16 H HN 0.703 nan 8.280 nan 0.000 0.469 17 M N 5.922 125.557 119.600 0.058 0.000 2.165 17 M HA 0.209 4.689 4.480 -0.001 0.000 0.283 17 M C -2.179 174.296 176.300 0.292 0.000 0.978 17 M CA -0.642 54.842 55.300 0.306 0.000 0.948 17 M CB 1.397 34.281 32.600 0.473 0.000 1.599 17 M HN 0.754 nan 8.290 nan 0.000 0.450 18 H N 5.291 124.517 119.070 0.261 0.000 2.744 18 H HA 0.673 5.229 4.556 -0.000 0.000 0.339 18 H C -1.936 173.615 175.328 0.373 0.000 1.004 18 H CA -0.520 55.662 56.048 0.223 0.000 1.257 18 H CB 1.051 30.874 29.762 0.102 0.000 1.552 18 H HN 0.595 nan 8.280 nan 0.000 0.522 19 F N 0.837 120.857 119.950 0.117 0.000 2.613 19 F HA 0.543 5.070 4.527 -0.001 0.000 0.314 19 F C 0.313 176.172 175.800 0.098 0.000 1.075 19 F CA -1.615 56.481 58.000 0.160 0.000 0.945 19 F CB 1.338 40.438 39.000 0.167 0.000 1.310 19 F HN 0.584 nan 8.300 nan 0.000 0.467 20 R N 0.836 121.455 120.500 0.199 0.000 3.627 20 R HA -0.216 4.124 4.340 -0.001 0.000 0.281 20 R C -0.700 175.532 176.300 -0.113 0.000 1.140 20 R CA 0.991 57.117 56.100 0.043 0.000 0.761 20 R CB -1.950 28.391 30.300 0.068 0.000 1.181 20 R HN 0.849 nan 8.270 nan 0.000 0.472 21 D N -1.112 119.284 120.400 -0.006 0.000 2.792 21 D HA -0.236 4.404 4.640 -0.001 0.000 0.231 21 D C 0.851 177.047 176.300 -0.173 0.000 1.160 21 D CA 2.049 56.058 54.000 0.016 0.000 0.697 21 D CB -0.372 40.417 40.800 -0.018 0.000 1.070 21 D HN 0.719 nan 8.370 nan 0.000 0.426 22 K N -1.765 118.331 120.400 -0.507 0.000 2.614 22 K HA 0.039 4.359 4.320 -0.001 0.000 0.183 22 K C -0.404 175.526 176.600 -1.117 0.000 1.792 22 K CA -0.069 55.684 56.287 -0.891 0.000 1.211 22 K CB 0.659 32.391 32.500 -1.281 0.000 1.735 22 K HN 0.081 nan 8.250 nan 0.000 0.587 23 W N 1.788 122.619 121.300 -0.781 0.000 2.647 23 W HA 0.541 5.200 4.660 -0.000 0.000 0.353 23 W C -0.114 175.877 176.519 -0.880 0.000 1.080 23 W CA -1.122 55.696 57.345 -0.878 0.000 1.208 23 W CB 1.618 30.369 29.460 -1.181 0.000 1.396 23 W HN -0.192 nan 8.180 nan 0.000 0.573 24 V N -1.684 118.159 119.914 -0.118 0.000 3.130 24 V HA 0.490 4.610 4.120 -0.001 0.000 0.310 24 V C -0.752 175.415 176.094 0.122 0.000 1.158 24 V CA -1.452 60.880 62.300 0.053 0.000 1.029 24 V CB 1.836 33.639 31.823 -0.033 0.000 1.057 24 V HN 0.785 nan 8.190 nan 0.000 0.436 25 W N 2.782 124.113 121.300 0.052 0.000 2.322 25 W HA 0.268 4.928 4.660 -0.001 0.000 0.328 25 W C -0.751 175.434 176.519 -0.557 0.000 1.395 25 W CA 0.663 57.917 57.345 -0.151 0.000 1.267 25 W CB 0.847 30.369 29.460 0.104 0.000 1.259 25 W HN 0.926 nan 8.180 nan 0.000 0.560 26 D N 5.515 124.895 120.400 -1.699 0.000 2.414 26 D HA 0.010 4.650 4.640 -0.001 0.000 0.232 26 D C 1.165 176.995 176.300 -0.784 0.000 1.070 26 D CA -0.132 53.132 54.000 -1.227 0.000 0.839 26 D CB 0.944 40.677 40.800 -1.777 0.000 1.079 26 D HN 0.604 nan 8.370 nan 0.000 0.521 27 E N 2.247 122.352 120.200 -0.159 0.000 2.516 27 E HA -0.078 4.271 4.350 -0.001 0.000 0.199 27 E C 0.178 176.807 176.600 0.048 0.000 1.069 27 E CA 0.373 56.840 56.400 0.110 0.000 0.876 27 E CB -0.057 29.763 29.700 0.200 0.000 0.843 27 E HN 0.383 nan 8.360 nan 0.000 0.530 28 N N 0.133 118.794 118.700 -0.066 0.000 2.280 28 N HA -0.001 4.738 4.740 -0.001 0.000 0.192 28 N C -0.412 175.155 175.510 0.095 0.000 1.109 28 N CA -0.185 52.870 53.050 0.009 0.000 0.855 28 N CB 0.181 38.651 38.487 -0.029 0.000 0.974 28 N HN 0.157 nan 8.380 nan 0.000 0.482 29 W N 2.039 123.293 121.300 -0.077 0.000 2.223 29 W HA 0.098 4.757 4.660 -0.001 0.000 0.334 29 W C -1.632 174.862 176.519 -0.041 0.000 1.334 29 W CA -1.737 55.539 57.345 -0.115 0.000 1.246 29 W CB 0.028 29.336 29.460 -0.254 0.000 1.184 29 W HN 0.051 nan 8.180 nan 0.000 0.563 30 P HA -0.204 nan 4.420 nan 0.000 0.216 30 P C 1.642 179.021 177.300 0.131 0.000 1.150 30 P CA 1.627 64.802 63.100 0.125 0.000 0.837 30 P CB 0.325 32.067 31.700 0.070 0.000 0.786 31 V N -0.260 119.697 119.914 0.073 0.000 2.453 31 V HA -0.193 3.926 4.120 -0.001 0.000 0.247 31 V C 2.390 178.616 176.094 0.220 0.000 1.048 31 V CA 2.030 64.379 62.300 0.082 0.000 1.049 31 V CB -1.647 30.116 31.823 -0.100 0.000 0.672 31 V HN 0.094 nan 8.190 nan 0.000 0.457 32 A N -0.016 122.956 122.820 0.254 0.000 1.902 32 A HA -0.223 4.097 4.320 -0.001 0.000 0.217 32 A C 2.296 180.154 177.584 0.456 0.000 1.181 32 A CA 1.874 54.173 52.037 0.436 0.000 0.623 32 A CB -0.389 18.831 19.000 0.367 0.000 0.818 32 A HN 0.532 nan 8.150 nan 0.000 0.443 33 K N -0.736 119.867 120.400 0.339 0.000 2.057 33 K HA -0.183 4.137 4.320 -0.001 0.000 0.207 33 K C 2.125 178.917 176.600 0.321 0.000 1.049 33 K CA 1.575 58.059 56.287 0.328 0.000 0.931 33 K CB -0.111 32.530 32.500 0.234 0.000 0.714 33 K HN 0.490 nan 8.250 nan 0.000 0.440 34 E N 0.963 121.321 120.200 0.264 0.000 2.106 34 E HA -0.154 4.196 4.350 -0.001 0.000 0.192 34 E C 1.995 178.756 176.600 0.267 0.000 0.984 34 E CA 1.390 57.926 56.400 0.227 0.000 0.806 34 E CB -0.191 29.629 29.700 0.200 0.000 0.750 34 E HN 0.122 nan 8.360 nan 0.000 0.458 35 S N -1.043 114.881 115.700 0.373 0.000 2.368 35 S HA -0.165 4.305 4.470 -0.001 0.000 0.225 35 S C 1.794 176.612 174.600 0.364 0.000 1.030 35 S CA 1.246 59.699 58.200 0.422 0.000 0.999 35 S CB -0.612 63.011 63.200 0.706 0.000 0.844 35 S HN 0.460 nan 8.310 nan 0.000 0.459 36 F N 3.042 123.156 119.950 0.272 0.000 2.102 36 F HA 0.064 4.591 4.527 -0.000 0.000 0.298 36 F C 2.405 178.282 175.800 0.128 0.000 1.105 36 F CA 1.880 59.983 58.000 0.173 0.000 1.239 36 F CB -0.902 38.192 39.000 0.158 0.000 0.991 36 F HN 0.184 nan 8.300 nan 0.000 0.474 37 R N 0.442 120.903 120.500 -0.065 0.000 2.105 37 R HA -0.166 4.174 4.340 -0.001 0.000 0.239 37 R C 2.118 178.441 176.300 0.038 0.000 1.135 37 R CA 2.037 58.068 56.100 -0.115 0.000 0.967 37 R CB -0.503 29.816 30.300 0.032 0.000 0.861 37 R HN 0.462 nan 8.270 nan 0.000 0.442 38 L N -0.323 120.921 121.223 0.036 0.000 2.270 38 L HA -0.004 4.336 4.340 -0.001 0.000 0.210 38 L C 2.204 179.065 176.870 -0.016 0.000 1.104 38 L CA 1.394 56.244 54.840 0.016 0.000 0.804 38 L CB 0.042 42.081 42.059 -0.033 0.000 0.937 38 L HN 0.402 nan 8.230 nan 0.000 0.450 39 T N -5.804 108.674 114.554 -0.127 0.000 2.971 39 T HA 0.068 4.418 4.350 -0.001 0.000 0.252 39 T C 1.017 175.597 174.700 -0.200 0.000 1.022 39 T CA 0.237 62.263 62.100 -0.123 0.000 0.980 39 T CB 0.004 68.818 68.868 -0.089 0.000 1.044 39 T HN 0.353 nan 8.240 nan 0.000 0.501 40 N N -0.194 118.277 118.700 -0.380 0.000 2.850 40 N HA -0.139 4.601 4.740 -0.001 0.000 0.249 40 N C -1.056 174.420 175.510 -0.056 0.000 1.060 40 N CA 0.196 52.847 53.050 -0.665 0.000 0.825 40 N CB -0.935 36.709 38.487 -1.406 0.000 1.132 40 N HN 0.339 nan 8.380 nan 0.000 0.564 41 V N 1.350 121.367 119.914 0.173 0.000 2.487 41 V HA 0.355 4.475 4.120 -0.001 0.000 0.298 41 V C 0.099 176.261 176.094 0.113 0.000 1.028 41 V CA -0.515 61.798 62.300 0.021 0.000 0.860 41 V CB 1.706 33.347 31.823 -0.303 0.000 0.991 41 V HN 0.112 nan 8.190 nan 0.000 0.427 42 K N 4.184 124.470 120.400 -0.190 0.000 2.221 42 K HA 0.685 5.005 4.320 -0.001 0.000 0.258 42 K C -1.661 174.749 176.600 -0.317 0.000 0.944 42 K CA -0.761 55.318 56.287 -0.347 0.000 0.823 42 K CB 1.580 33.577 32.500 -0.838 0.000 1.113 42 K HN 0.422 nan 8.250 nan 0.000 0.431 43 L N 3.563 124.648 121.223 -0.229 0.000 2.295 43 L HA 0.326 4.666 4.340 -0.001 0.000 0.285 43 L C -0.366 176.365 176.870 -0.232 0.000 1.035 43 L CA 0.036 54.640 54.840 -0.394 0.000 0.806 43 L CB 1.459 42.984 42.059 -0.889 0.000 1.214 43 L HN 0.664 nan 8.230 nan 0.000 0.426 44 Q N 2.091 121.767 119.800 -0.207 0.000 2.325 44 Q HA 0.415 4.755 4.340 -0.001 0.000 0.262 44 Q C -0.696 175.272 176.000 -0.053 0.000 0.968 44 Q CA -0.355 55.395 55.803 -0.088 0.000 0.877 44 Q CB 1.520 30.203 28.738 -0.091 0.000 1.253 44 Q HN 0.621 nan 8.270 nan 0.000 0.448 45 S N 3.096 118.820 115.700 0.041 0.000 2.474 45 S HA 0.190 4.660 4.470 -0.001 0.000 0.276 45 S C 0.536 175.166 174.600 0.051 0.000 1.227 45 S CA -0.426 57.819 58.200 0.075 0.000 1.050 45 S CB 0.556 63.842 63.200 0.142 0.000 0.939 45 S HN 0.628 nan 8.310 nan 0.000 0.490 46 V N 3.068 123.020 119.914 0.065 0.000 3.483 46 V HA 0.610 4.730 4.120 -0.001 0.000 0.301 46 V C 0.793 176.964 176.094 0.128 0.000 1.389 46 V CA 0.043 62.393 62.300 0.083 0.000 1.101 46 V CB -0.925 30.953 31.823 0.091 0.000 0.971 46 V HN 0.839 nan 8.190 nan 0.000 0.434 47 A N 1.682 124.541 122.820 0.065 0.000 2.287 47 A HA 0.595 4.914 4.320 -0.001 0.000 0.273 47 A C 0.155 177.794 177.584 0.091 0.000 1.091 47 A CA -0.270 51.776 52.037 0.014 0.000 0.817 47 A CB 0.291 19.141 19.000 -0.251 0.000 1.069 47 A HN 0.481 nan 8.150 nan 0.000 0.492 48 N N 0.151 118.941 118.700 0.149 0.000 2.462 48 N HA 0.157 4.897 4.740 -0.001 0.000 0.242 48 N C 0.641 176.240 175.510 0.149 0.000 1.010 48 N CA -0.163 52.959 53.050 0.121 0.000 0.939 48 N CB 0.580 39.125 38.487 0.096 0.000 1.127 48 N HN 0.568 nan 8.380 nan 0.000 0.509 49 K N 2.199 122.643 120.400 0.074 0.000 2.113 49 K HA -0.184 4.135 4.320 -0.001 0.000 0.208 49 K C 1.365 177.989 176.600 0.040 0.000 1.047 49 K CA 1.670 57.975 56.287 0.031 0.000 0.928 49 K CB -0.038 32.463 32.500 0.003 0.000 0.716 49 K HN 0.621 nan 8.250 nan 0.000 0.446 50 A N 1.351 124.198 122.820 0.045 0.000 2.119 50 A HA 0.127 4.446 4.320 -0.001 0.000 0.217 50 A C 1.110 178.716 177.584 0.036 0.000 1.153 50 A CA 0.647 52.698 52.037 0.023 0.000 0.692 50 A CB -0.243 18.764 19.000 0.012 0.000 0.799 50 A HN 0.305 nan 8.150 nan 0.000 0.458 51 A N 0.026 122.898 122.820 0.086 0.000 2.462 51 A HA 0.416 4.735 4.320 -0.001 0.000 0.243 51 A C 1.167 178.792 177.584 0.069 0.000 1.076 51 A CA 0.688 52.742 52.037 0.030 0.000 0.773 51 A CB -0.010 18.941 19.000 -0.082 0.000 1.010 51 A HN 0.733 nan 8.150 nan 0.000 0.493 52 T N -1.247 113.303 114.554 -0.008 0.000 3.085 52 T HA 0.204 4.553 4.350 -0.001 0.000 0.264 52 T C 0.142 174.836 174.700 -0.010 0.000 1.019 52 T CA -0.122 61.979 62.100 0.000 0.000 0.910 52 T CB -0.209 68.637 68.868 -0.036 0.000 1.059 52 T HN 0.553 nan 8.240 nan 0.000 0.542 53 N N 0.943 119.601 118.700 -0.069 0.000 2.617 53 N HA 0.314 5.054 4.740 -0.001 0.000 0.263 53 N C 0.527 175.960 175.510 -0.129 0.000 1.074 53 N CA -0.177 52.837 53.050 -0.059 0.000 0.841 53 N CB 1.723 40.183 38.487 -0.044 0.000 1.221 53 N HN 0.027 nan 8.380 nan 0.000 0.529 54 S N 1.877 117.562 115.700 -0.025 0.000 2.365 54 S HA -0.162 4.308 4.470 -0.001 0.000 0.225 54 S C 1.615 176.264 174.600 0.082 0.000 1.039 54 S CA 1.114 59.348 58.200 0.056 0.000 1.033 54 S CB 0.048 63.438 63.200 0.317 0.000 0.887 54 S HN 0.591 nan 8.310 nan 0.000 0.447 55 Q N 0.812 120.653 119.800 0.068 0.000 2.170 55 Q HA -0.125 4.214 4.340 -0.001 0.000 0.203 55 Q C 2.208 178.274 176.000 0.111 0.000 0.976 55 Q CA 1.272 57.117 55.803 0.070 0.000 0.858 55 Q CB -0.396 28.357 28.738 0.026 0.000 0.907 55 Q HN 0.785 nan 8.270 nan 0.000 0.433 56 E N 0.135 120.365 120.200 0.050 0.000 2.072 56 E HA -0.178 4.172 4.350 -0.001 0.000 0.190 56 E C 1.790 178.408 176.600 0.030 0.000 0.982 56 E CA 0.656 57.076 56.400 0.035 0.000 0.803 56 E CB 0.237 29.933 29.700 -0.007 0.000 0.755 56 E HN 0.155 nan 8.360 nan 0.000 0.453 57 Q N -0.076 119.723 119.800 -0.001 0.000 2.170 57 Q HA -0.176 4.164 4.340 -0.001 0.000 0.203 57 Q C 1.965 177.994 176.000 0.048 0.000 0.976 57 Q CA 1.203 57.016 55.803 0.017 0.000 0.858 57 Q CB -0.494 28.220 28.738 -0.040 0.000 0.907 57 Q HN 0.402 nan 8.270 nan 0.000 0.433 58 F N 2.279 122.224 119.950 -0.008 0.000 2.102 58 F HA -0.208 4.319 4.527 -0.001 0.000 0.298 58 F C 1.720 177.431 175.800 -0.149 0.000 1.105 58 F CA 1.341 59.300 58.000 -0.068 0.000 1.239 58 F CB -0.164 38.844 39.000 0.013 0.000 0.991 58 F HN 0.087 nan 8.300 nan 0.000 0.474 59 N N 0.837 119.588 118.700 0.084 0.000 2.084 59 N HA -0.166 4.574 4.740 -0.001 0.000 0.190 59 N C 1.918 177.327 175.510 -0.169 0.000 1.030 59 N CA 1.437 54.464 53.050 -0.038 0.000 0.849 59 N CB -0.753 37.785 38.487 0.085 0.000 1.012 59 N HN 0.249 nan 8.380 nan 0.000 0.423 60 L N 1.263 122.411 121.223 -0.125 0.000 2.127 60 L HA -0.070 4.270 4.340 -0.001 0.000 0.211 60 L C 2.269 179.015 176.870 -0.206 0.000 1.089 60 L CA 1.189 55.950 54.840 -0.130 0.000 0.757 60 L CB -1.237 40.772 42.059 -0.083 0.000 0.899 60 L HN 0.322 nan 8.230 nan 0.000 0.434 61 M N -1.529 117.877 119.600 -0.323 0.000 2.123 61 M HA -0.247 4.232 4.480 -0.001 0.000 0.263 61 M C 2.309 178.353 176.300 -0.428 0.000 1.069 61 M CA 1.603 56.661 55.300 -0.404 0.000 1.133 61 M CB -0.060 32.142 32.600 -0.662 0.000 1.356 61 M HN 0.171 nan 8.290 nan 0.000 0.415 62 M N 0.997 120.244 119.600 -0.588 0.000 2.080 62 M HA -0.109 4.370 4.480 -0.001 0.000 0.260 62 M C 2.238 178.312 176.300 -0.376 0.000 1.068 62 M CA 2.329 57.250 55.300 -0.633 0.000 1.109 62 M CB -0.925 31.112 32.600 -0.938 0.000 1.342 62 M HN 0.441 nan 8.290 nan 0.000 0.405 63 A N -1.648 121.011 122.820 -0.268 0.000 1.858 63 A HA -0.189 4.130 4.320 -0.001 0.000 0.216 63 A C 2.269 179.766 177.584 -0.146 0.000 1.190 63 A CA 2.248 54.191 52.037 -0.157 0.000 0.617 63 A CB -1.549 17.387 19.000 -0.105 0.000 0.827 63 A HN 0.555 nan 8.150 nan 0.000 0.443 64 S N -1.462 114.144 115.700 -0.156 0.000 2.443 64 S HA -0.167 4.303 4.470 -0.001 0.000 0.246 64 S C 1.808 176.336 174.600 -0.121 0.000 1.058 64 S CA 2.312 60.436 58.200 -0.128 0.000 1.028 64 S CB -0.816 62.299 63.200 -0.141 0.000 0.821 64 S HN 2.060 nan 8.310 nan 0.000 0.484 65 G N 0.552 109.262 108.800 -0.150 0.000 2.562 65 G HA2 -0.363 3.597 3.960 -0.001 0.000 0.241 65 G HA3 -0.363 3.597 3.960 -0.001 0.000 0.241 65 G C 0.121 174.947 174.900 -0.123 0.000 1.120 65 G CA 0.727 45.749 45.100 -0.130 0.000 0.673 65 G HN 0.749 nan 8.290 nan 0.000 0.519 66 D N 1.864 122.198 120.400 -0.110 0.000 2.402 66 D HA 0.476 5.116 4.640 -0.001 0.000 0.235 66 D C 0.927 177.165 176.300 -0.104 0.000 1.226 66 D CA -0.265 53.681 54.000 -0.090 0.000 0.918 66 D CB -0.310 40.449 40.800 -0.069 0.000 1.043 66 D HN 0.449 nan 8.370 nan 0.000 0.506 67 L N 4.824 125.983 121.223 -0.107 0.000 2.421 67 L HA 0.532 4.871 4.340 -0.001 0.000 0.263 67 L C -1.574 175.266 176.870 -0.049 0.000 1.122 67 L CA -1.686 53.092 54.840 -0.104 0.000 0.804 67 L CB 1.101 43.082 42.059 -0.129 0.000 1.150 67 L HN 0.344 nan 8.230 nan 0.000 0.457 68 P HA 0.216 nan 4.420 nan 0.000 0.310 68 P C -0.655 176.659 177.300 0.024 0.000 1.309 68 P CA -0.440 62.672 63.100 0.020 0.000 0.769 68 P CB 1.259 33.008 31.700 0.080 0.000 1.327 69 D N -1.362 119.041 120.400 0.006 0.000 2.183 69 D HA 0.066 4.706 4.640 -0.001 0.000 0.205 69 D C 0.372 176.695 176.300 0.037 0.000 0.962 69 D CA 1.250 55.240 54.000 -0.015 0.000 0.849 69 D CB 0.188 40.935 40.800 -0.088 0.000 0.978 69 D HN 0.040 nan 8.370 nan 0.000 0.488 70 V N 0.974 120.932 119.914 0.074 0.000 2.789 70 V HA 0.385 4.504 4.120 -0.001 0.000 0.311 70 V C -0.353 175.919 176.094 0.297 0.000 1.073 70 V CA -0.834 61.567 62.300 0.168 0.000 0.921 70 V CB 3.029 34.895 31.823 0.071 0.000 1.009 70 V HN -0.257 nan 8.190 nan 0.000 0.426 71 V N 2.622 122.797 119.914 0.436 0.000 2.531 71 V HA 0.937 5.057 4.120 -0.001 0.000 0.301 71 V C 0.379 176.867 176.094 0.658 0.000 1.034 71 V CA -0.066 62.582 62.300 0.579 0.000 0.865 71 V CB 1.650 33.927 31.823 0.757 0.000 0.995 71 V HN 1.065 nan 8.190 nan 0.000 0.424 72 G N 1.829 111.013 108.800 0.639 0.000 2.642 72 G HA2 0.926 4.886 3.960 -0.001 0.000 0.293 72 G HA3 0.926 4.886 3.960 -0.001 0.000 0.293 72 G C -0.447 174.737 174.900 0.474 0.000 1.341 72 G CA -0.263 45.206 45.100 0.615 0.000 0.916 72 G HN 1.325 nan 8.290 nan 0.000 0.474 73 G N -0.225 108.779 108.800 0.339 0.000 2.337 73 G HA2 0.488 4.448 3.960 -0.001 0.000 0.298 73 G HA3 0.488 4.448 3.960 -0.001 0.000 0.298 73 G C -1.759 173.237 174.900 0.159 0.000 1.335 73 G CA -0.191 45.062 45.100 0.255 0.000 0.875 73 G HN 0.984 nan 8.290 nan 0.000 0.579 74 D N -0.301 120.203 120.400 0.173 0.000 2.253 74 D HA 0.387 5.027 4.640 -0.001 0.000 0.249 74 D C 0.479 176.792 176.300 0.021 0.000 1.049 74 D CA -0.581 53.492 54.000 0.123 0.000 0.929 74 D CB 0.827 41.735 40.800 0.179 0.000 1.176 74 D HN 0.513 nan 8.370 nan 0.000 0.437 75 N N 0.432 119.122 118.700 -0.016 0.000 2.740 75 N HA -0.166 4.574 4.740 -0.001 0.000 0.248 75 N C 0.140 175.505 175.510 -0.241 0.000 1.062 75 N CA 0.336 53.338 53.050 -0.081 0.000 0.704 75 N CB -1.099 37.371 38.487 -0.030 0.000 0.968 75 N HN 0.573 nan 8.380 nan 0.000 0.547 76 L N -0.695 120.285 121.223 -0.405 0.000 2.731 76 L HA 0.112 4.452 4.340 -0.001 0.000 0.240 76 L C 2.151 178.448 176.870 -0.955 0.000 1.120 76 L CA -0.134 54.186 54.840 -0.867 0.000 0.913 76 L CB 0.061 41.318 42.059 -1.336 0.000 1.213 76 L HN 0.131 nan 8.230 nan 0.000 0.515 77 K N 1.162 121.228 120.400 -0.557 0.000 2.032 77 K HA -0.281 4.039 4.320 -0.001 0.000 0.218 77 K C 1.409 177.855 176.600 -0.256 0.000 1.054 77 K CA 2.479 58.494 56.287 -0.454 0.000 0.941 77 K CB 0.032 32.457 32.500 -0.126 0.000 0.720 77 K HN 0.178 nan 8.250 nan 0.000 0.449 78 D N 0.308 120.596 120.400 -0.188 0.000 2.116 78 D HA -0.165 4.474 4.640 -0.001 0.000 0.193 78 D C 1.871 178.107 176.300 -0.107 0.000 0.998 78 D CA 1.490 55.422 54.000 -0.112 0.000 0.836 78 D CB -0.087 40.653 40.800 -0.100 0.000 0.951 78 D HN 0.362 nan 8.370 nan 0.000 0.449 79 K N -0.481 119.792 120.400 -0.213 0.000 2.097 79 K HA -0.070 4.250 4.320 -0.001 0.000 0.205 79 K C 2.122 178.859 176.600 0.228 0.000 1.050 79 K CA 0.483 56.740 56.287 -0.049 0.000 0.938 79 K CB -0.158 32.118 32.500 -0.374 0.000 0.718 79 K HN 0.066 nan 8.250 nan 0.000 0.442 80 F N 1.464 121.401 119.950 -0.022 0.000 2.095 80 F HA -0.162 4.364 4.527 -0.001 0.000 0.298 80 F C 2.109 177.992 175.800 0.139 0.000 1.104 80 F CA 0.912 58.884 58.000 -0.047 0.000 1.232 80 F CB -0.585 38.161 39.000 -0.422 0.000 0.987 80 F HN -0.052 nan 8.300 nan 0.000 0.475 81 I N -0.155 120.581 120.570 0.276 0.000 2.315 81 I HA -0.290 3.880 4.170 -0.001 0.000 0.248 81 I C 2.543 178.670 176.117 0.018 0.000 1.117 81 I CA 1.514 62.932 61.300 0.196 0.000 1.404 81 I CB -0.597 37.524 38.000 0.201 0.000 1.071 81 I HN 0.255 nan 8.210 nan 0.000 0.419 82 Q N 0.610 120.408 119.800 -0.004 0.000 2.062 82 Q HA -0.201 4.138 4.340 -0.001 0.000 0.196 82 Q C 1.924 177.816 176.000 -0.180 0.000 0.967 82 Q CA 1.567 57.280 55.803 -0.150 0.000 0.832 82 Q CB -0.537 28.033 28.738 -0.281 0.000 0.899 82 Q HN 0.416 nan 8.270 nan 0.000 0.442 83 Y N 0.843 121.236 120.300 0.155 0.000 2.616 83 Y HA 0.173 4.723 4.550 -0.001 0.000 0.296 83 Y C 2.269 178.198 175.900 0.048 0.000 1.154 83 Y CA 0.860 59.029 58.100 0.115 0.000 1.325 83 Y CB -0.113 38.477 38.460 0.216 0.000 1.007 83 Y HN 0.366 nan 8.280 nan 0.000 0.542 84 G N -1.062 107.801 108.800 0.104 0.000 2.459 84 G HA2 -0.126 3.834 3.960 -0.001 0.000 0.213 84 G HA3 -0.126 3.834 3.960 -0.001 0.000 0.213 84 G C 1.465 175.934 174.900 -0.718 0.000 1.155 84 G CA 0.124 44.970 45.100 -0.422 0.000 0.811 84 G HN 0.311 nan 8.290 nan 0.000 0.534 85 Q N 0.163 119.666 119.800 -0.496 0.000 2.297 85 Q HA -0.039 4.301 4.340 -0.001 0.000 0.204 85 Q C 1.551 177.510 176.000 -0.068 0.000 0.962 85 Q CA 1.047 56.731 55.803 -0.199 0.000 0.879 85 Q CB 0.098 28.789 28.738 -0.078 0.000 0.947 85 Q HN 0.799 nan 8.270 nan 0.000 0.462 86 E N -0.983 119.178 120.200 -0.065 0.000 2.405 86 E HA 0.216 4.565 4.350 -0.001 0.000 0.214 86 E C 0.504 177.104 176.600 0.000 0.000 1.101 86 E CA 0.215 56.604 56.400 -0.017 0.000 1.254 86 E CB 0.178 29.869 29.700 -0.015 0.000 1.240 86 E HN 0.241 nan 8.360 nan 0.000 0.439 87 G N 0.500 109.301 108.800 0.002 0.000 2.180 87 G HA2 -0.434 3.525 3.960 -0.001 0.000 0.263 87 G HA3 -0.434 3.525 3.960 -0.001 0.000 0.263 87 G C 0.982 175.877 174.900 -0.007 0.000 0.989 87 G CA 0.447 45.563 45.100 0.026 0.000 0.692 87 G HN 0.642 nan 8.290 nan 0.000 0.526 88 A N -1.151 121.624 122.820 -0.075 0.000 1.970 88 A HA 0.601 4.921 4.320 -0.001 0.000 0.216 88 A C 0.669 178.068 177.584 -0.309 0.000 1.170 88 A CA 0.920 52.801 52.037 -0.260 0.000 0.645 88 A CB 0.063 18.797 19.000 -0.445 0.000 0.816 88 A HN 0.573 nan 8.150 nan 0.000 0.447 89 F N -0.805 119.227 119.950 0.137 0.000 2.458 89 F HA 0.477 5.003 4.527 -0.001 0.000 0.336 89 F C 0.169 176.135 175.800 0.278 0.000 1.114 89 F CA -1.406 56.718 58.000 0.207 0.000 0.987 89 F CB 1.547 40.713 39.000 0.277 0.000 1.130 89 F HN -0.216 nan 8.300 nan 0.000 0.458 90 V N 6.009 126.190 119.914 0.444 0.000 2.585 90 V HA 0.123 4.243 4.120 -0.001 0.000 0.296 90 V C -1.759 174.555 176.094 0.365 0.000 1.035 90 V CA -1.216 61.282 62.300 0.330 0.000 1.084 90 V CB 0.462 32.403 31.823 0.196 0.000 0.953 90 V HN 0.498 nan 8.190 nan 0.000 0.483 91 P HA 0.119 nan 4.420 nan 0.000 0.275 91 P C -0.083 177.218 177.300 0.001 0.000 1.227 91 P CA -0.240 62.842 63.100 -0.030 0.000 0.781 91 P CB 1.268 32.923 31.700 -0.075 0.000 0.906 92 L N 2.598 123.791 121.223 -0.050 0.000 2.616 92 L HA 0.111 4.450 4.340 -0.001 0.000 0.229 92 L C 1.832 178.706 176.870 0.008 0.000 1.110 92 L CA 0.769 55.621 54.840 0.021 0.000 0.884 92 L CB -1.504 40.597 42.059 0.068 0.000 1.115 92 L HN 0.217 nan 8.230 nan 0.000 0.481 93 N N 1.260 119.929 118.700 -0.051 0.000 2.027 93 N HA -0.294 4.446 4.740 -0.001 0.000 0.200 93 N C 1.689 177.193 175.510 -0.009 0.000 1.042 93 N CA 2.256 55.280 53.050 -0.044 0.000 0.871 93 N CB -0.292 38.145 38.487 -0.084 0.000 1.063 93 N HN 0.480 nan 8.380 nan 0.000 0.438 94 K N 0.834 121.232 120.400 -0.004 0.000 2.057 94 K HA -0.021 4.299 4.320 -0.001 0.000 0.206 94 K C 1.950 178.569 176.600 0.031 0.000 1.050 94 K CA 1.024 57.312 56.287 0.002 0.000 0.935 94 K CB -0.562 31.943 32.500 0.009 0.000 0.715 94 K HN 0.126 nan 8.250 nan 0.000 0.439 95 L N 1.048 122.321 121.223 0.084 0.000 2.081 95 L HA -0.178 4.162 4.340 -0.001 0.000 0.212 95 L C 2.582 179.546 176.870 0.157 0.000 1.080 95 L CA 1.271 56.217 54.840 0.177 0.000 0.754 95 L CB -0.400 41.742 42.059 0.139 0.000 0.893 95 L HN 0.242 nan 8.230 nan 0.000 0.433 96 I N -0.467 120.158 120.570 0.092 0.000 2.193 96 I HA -0.266 3.904 4.170 -0.001 0.000 0.240 96 I C 2.036 178.172 176.117 0.032 0.000 1.084 96 I CA 1.145 62.492 61.300 0.079 0.000 1.365 96 I CB -0.361 37.695 38.000 0.094 0.000 1.064 96 I HN 0.215 nan 8.210 nan 0.000 0.410 97 D N 0.588 120.989 120.400 0.002 0.000 2.182 97 D HA -0.207 4.433 4.640 -0.001 0.000 0.201 97 D C 2.152 178.389 176.300 -0.106 0.000 0.986 97 D CA 1.310 55.287 54.000 -0.039 0.000 0.847 97 D CB -0.119 40.654 40.800 -0.045 0.000 0.942 97 D HN 0.516 nan 8.370 nan 0.000 0.467 98 Q N -1.643 118.042 119.800 -0.193 0.000 2.394 98 Q HA 0.063 4.403 4.340 -0.001 0.000 0.218 98 Q C 0.768 176.445 176.000 -0.538 0.000 0.907 98 Q CA 0.439 55.973 55.803 -0.448 0.000 0.919 98 Q CB 0.403 28.692 28.738 -0.749 0.000 1.051 98 Q HN 0.363 nan 8.270 nan 0.000 0.538 99 Y N -0.900 119.412 120.300 0.019 0.000 2.527 99 Y HA 0.512 5.062 4.550 -0.001 0.000 0.247 99 Y C 0.214 176.145 175.900 0.051 0.000 1.138 99 Y CA -0.509 57.609 58.100 0.031 0.000 1.228 99 Y CB 1.252 39.729 38.460 0.027 0.000 1.252 99 Y HN -0.064 nan 8.280 nan 0.000 0.531 100 A N 1.529 124.439 122.820 0.149 0.000 2.978 100 A HA 0.411 4.731 4.320 -0.001 0.000 0.341 100 A C -1.931 175.683 177.584 0.049 0.000 1.105 100 A CA -1.257 50.858 52.037 0.131 0.000 0.819 100 A CB 0.472 19.542 19.000 0.116 0.000 1.080 100 A HN -0.040 nan 8.150 nan 0.000 0.476 101 P HA -0.230 nan 4.420 nan 0.000 0.215 101 P C 0.903 178.122 177.300 -0.134 0.000 1.153 101 P CA 1.477 64.507 63.100 -0.118 0.000 0.853 101 P CB -0.016 31.552 31.700 -0.220 0.000 0.788 102 H N -0.261 118.870 119.070 0.101 0.000 2.357 102 H HA 0.039 4.595 4.556 -0.001 0.000 0.301 102 H C 2.409 177.769 175.328 0.052 0.000 1.082 102 H CA 0.979 57.114 56.048 0.145 0.000 1.342 102 H CB -0.609 29.285 29.762 0.219 0.000 1.389 102 H HN 0.169 nan 8.280 nan 0.000 0.511 103 I N 0.918 121.480 120.570 -0.013 0.000 2.252 103 I HA -0.247 3.923 4.170 -0.001 0.000 0.245 103 I C 2.670 178.593 176.117 -0.322 0.000 1.102 103 I CA 1.208 62.229 61.300 -0.465 0.000 1.385 103 I CB -0.156 37.522 38.000 -0.536 0.000 1.064 103 I HN 0.097 nan 8.210 nan 0.000 0.414 104 K N 1.924 122.266 120.400 -0.096 0.000 2.020 104 K HA -0.195 4.124 4.320 -0.001 0.000 0.212 104 K C 2.089 178.712 176.600 0.038 0.000 1.050 104 K CA 2.044 58.336 56.287 0.009 0.000 0.929 104 K CB -0.394 32.112 32.500 0.010 0.000 0.714 104 K HN 0.252 nan 8.250 nan 0.000 0.443 105 A N -0.077 122.766 122.820 0.040 0.000 1.933 105 A HA -0.090 4.229 4.320 -0.001 0.000 0.218 105 A C 2.151 179.788 177.584 0.088 0.000 1.175 105 A CA 1.442 53.521 52.037 0.069 0.000 0.628 105 A CB -0.895 18.164 19.000 0.098 0.000 0.814 105 A HN 0.541 nan 8.150 nan 0.000 0.444 106 F N -0.218 119.694 119.950 -0.063 0.000 2.102 106 F HA -0.161 4.365 4.527 -0.001 0.000 0.298 106 F C 1.846 177.664 175.800 0.030 0.000 1.105 106 F CA 1.676 59.595 58.000 -0.135 0.000 1.239 106 F CB -0.382 38.327 39.000 -0.485 0.000 0.991 106 F HN 0.209 nan 8.300 nan 0.000 0.474 107 F N 1.004 120.903 119.950 -0.084 0.000 2.171 107 F HA -0.114 4.412 4.527 -0.000 0.000 0.300 107 F C 2.391 178.081 175.800 -0.183 0.000 1.090 107 F CA 1.530 59.434 58.000 -0.160 0.000 1.293 107 F CB -1.316 37.644 39.000 -0.066 0.000 1.013 107 F HN -0.007 nan 8.300 nan 0.000 0.486 108 K N 0.875 121.313 120.400 0.064 0.000 2.057 108 K HA -0.152 4.168 4.320 -0.001 0.000 0.207 108 K C 1.946 178.489 176.600 -0.096 0.000 1.049 108 K CA 1.904 58.183 56.287 -0.013 0.000 0.931 108 K CB -0.461 32.039 32.500 -0.001 0.000 0.714 108 K HN 0.210 nan 8.250 nan 0.000 0.440 109 S N -1.097 114.504 115.700 -0.166 0.000 2.575 109 S HA 0.058 4.528 4.470 -0.001 0.000 0.215 109 S C 0.145 174.351 174.600 -0.656 0.000 0.966 109 S CA -0.327 57.675 58.200 -0.330 0.000 0.911 109 S CB -0.202 62.820 63.200 -0.296 0.000 0.780 109 S HN 0.319 nan 8.310 nan 0.000 0.514 110 H N 1.455 120.291 119.070 -0.390 0.000 2.616 110 H HA 0.263 4.819 4.556 -0.001 0.000 0.229 110 H C -2.143 173.049 175.328 -0.227 0.000 1.418 110 H CA -1.388 54.412 56.048 -0.413 0.000 1.248 110 H CB 0.866 30.061 29.762 -0.945 0.000 1.822 110 H HN 0.298 nan 8.280 nan 0.000 0.522 111 P HA -0.246 nan 4.420 nan 0.000 0.216 111 P C 1.525 178.775 177.300 -0.084 0.000 1.150 111 P CA 1.440 64.484 63.100 -0.094 0.000 0.843 111 P CB 0.431 32.075 31.700 -0.093 0.000 0.787 112 E N 0.433 120.615 120.200 -0.030 0.000 2.153 112 E HA -0.101 4.248 4.350 -0.001 0.000 0.194 112 E C 2.027 178.637 176.600 0.016 0.000 0.988 112 E CA 1.066 57.473 56.400 0.011 0.000 0.811 112 E CB -1.731 28.009 29.700 0.066 0.000 0.746 112 E HN 0.153 nan 8.360 nan 0.000 0.466 113 V N 1.706 121.651 119.914 0.052 0.000 2.379 113 V HA -0.210 3.910 4.120 -0.001 0.000 0.245 113 V C 2.595 178.674 176.094 -0.025 0.000 1.044 113 V CA 1.978 64.348 62.300 0.117 0.000 1.036 113 V CB -0.602 31.419 31.823 0.330 0.000 0.664 113 V HN 0.307 nan 8.190 nan 0.000 0.453 114 E N 0.257 120.337 120.200 -0.201 0.000 2.051 114 E HA -0.232 4.118 4.350 -0.001 0.000 0.192 114 E C 2.515 178.871 176.600 -0.408 0.000 0.991 114 E CA 1.243 57.276 56.400 -0.611 0.000 0.799 114 E CB -0.053 29.215 29.700 -0.720 0.000 0.748 114 E HN 0.439 nan 8.360 nan 0.000 0.449 115 R N -0.018 120.297 120.500 -0.308 0.000 2.080 115 R HA -0.161 4.178 4.340 -0.001 0.000 0.236 115 R C 2.450 178.553 176.300 -0.329 0.000 1.137 115 R CA 1.208 57.090 56.100 -0.362 0.000 0.943 115 R CB -0.589 29.448 30.300 -0.438 0.000 0.846 115 R HN 0.231 nan 8.270 nan 0.000 0.431 116 A N 1.729 124.433 122.820 -0.194 0.000 1.986 116 A HA -0.172 4.148 4.320 -0.001 0.000 0.220 116 A C 2.073 179.640 177.584 -0.028 0.000 1.171 116 A CA 1.806 53.806 52.037 -0.061 0.000 0.640 116 A CB -0.658 18.362 19.000 0.033 0.000 0.811 116 A HN 0.560 nan 8.150 nan 0.000 0.451 117 I N -4.604 115.920 120.570 -0.077 0.000 3.956 117 I HA 0.251 4.421 4.170 -0.001 0.000 0.333 117 I C 0.218 176.324 176.117 -0.018 0.000 1.302 117 I CA -0.264 61.029 61.300 -0.012 0.000 1.122 117 I CB 0.076 37.946 38.000 -0.215 0.000 1.013 117 I HN -0.090 nan 8.210 nan 0.000 0.405 118 K N 3.157 123.489 120.400 -0.114 0.000 2.379 118 K HA 0.462 4.781 4.320 -0.001 0.000 0.284 118 K C 0.461 177.061 176.600 0.000 0.000 1.044 118 K CA -0.144 56.080 56.287 -0.105 0.000 0.974 118 K CB 1.118 33.506 32.500 -0.188 0.000 0.962 118 K HN 0.393 nan 8.250 nan 0.000 0.474 119 A N 5.297 128.170 122.820 0.088 0.000 2.327 119 A HA 0.180 4.500 4.320 -0.001 0.000 0.255 119 A C -1.332 176.302 177.584 0.084 0.000 1.099 119 A CA -1.103 51.037 52.037 0.172 0.000 0.801 119 A CB -0.166 19.078 19.000 0.407 0.000 1.062 119 A HN 0.574 nan 8.150 nan 0.000 0.496 120 P HA -0.182 nan 4.420 nan 0.000 0.219 120 P C 0.274 177.596 177.300 0.036 0.000 1.146 120 P CA 1.707 64.829 63.100 0.037 0.000 0.808 120 P CB -0.236 31.485 31.700 0.035 0.000 0.779 121 D N -1.578 118.871 120.400 0.080 0.000 2.336 121 D HA 0.104 4.744 4.640 -0.001 0.000 0.229 121 D C 1.486 177.799 176.300 0.021 0.000 1.061 121 D CA 0.582 54.622 54.000 0.066 0.000 0.875 121 D CB -0.944 39.930 40.800 0.124 0.000 0.904 121 D HN 0.269 nan 8.370 nan 0.000 0.525 122 G N -0.434 108.360 108.800 -0.011 0.000 2.199 122 G HA2 -0.298 3.661 3.960 -0.001 0.000 0.254 122 G HA3 -0.298 3.661 3.960 -0.001 0.000 0.254 122 G C 0.182 175.011 174.900 -0.117 0.000 0.982 122 G CA -0.013 45.046 45.100 -0.069 0.000 0.632 122 G HN 0.419 nan 8.290 nan 0.000 0.529 123 N N 0.136 118.754 118.700 -0.137 0.000 2.483 123 N HA 0.576 5.316 4.740 -0.001 0.000 0.269 123 N C 0.187 175.450 175.510 -0.411 0.000 1.209 123 N CA -0.093 52.748 53.050 -0.347 0.000 0.969 123 N CB 0.819 38.920 38.487 -0.644 0.000 1.173 123 N HN 0.286 nan 8.380 nan 0.000 0.475 124 I N 2.099 122.403 120.570 -0.444 0.000 2.354 124 I HA 0.146 4.315 4.170 -0.001 0.000 0.286 124 I C -0.141 175.799 176.117 -0.295 0.000 1.007 124 I CA -0.421 60.709 61.300 -0.283 0.000 1.167 124 I CB 0.638 38.514 38.000 -0.206 0.000 1.320 124 I HN 0.481 nan 8.210 nan 0.000 0.458 125 Y N 6.571 126.970 120.300 0.166 0.000 2.458 125 Y HA 0.245 4.794 4.550 -0.001 0.000 0.256 125 Y C -0.033 175.974 175.900 0.179 0.000 1.159 125 Y CA -0.536 57.693 58.100 0.215 0.000 1.261 125 Y CB 0.094 38.727 38.460 0.288 0.000 1.119 125 Y HN 0.511 nan 8.280 nan 0.000 0.524 126 F N -2.606 117.339 119.950 -0.008 0.000 2.719 126 F HA 0.586 5.112 4.527 -0.001 0.000 0.309 126 F C -1.843 173.973 175.800 0.026 0.000 1.138 126 F CA -2.317 55.584 58.000 -0.165 0.000 0.943 126 F CB 0.650 39.268 39.000 -0.637 0.000 1.304 126 F HN -0.393 nan 8.300 nan 0.000 0.445 127 I N 4.224 124.805 120.570 0.019 0.000 2.315 127 I HA 0.391 4.560 4.170 -0.001 0.000 0.291 127 I C -2.315 173.821 176.117 0.032 0.000 1.006 127 I CA -2.517 58.765 61.300 -0.030 0.000 1.265 127 I CB 0.984 39.063 38.000 0.132 0.000 1.387 127 I HN 0.443 nan 8.210 nan 0.000 0.475 128 P HA 0.106 nan 4.420 nan 0.000 0.280 128 P C -0.988 176.426 177.300 0.191 0.000 1.272 128 P CA -0.483 62.722 63.100 0.176 0.000 0.819 128 P CB 1.028 32.780 31.700 0.087 0.000 1.122 129 Y N 1.731 122.065 120.300 0.055 0.000 2.486 129 Y HA 0.251 4.801 4.550 -0.001 0.000 0.348 129 Y C -0.863 174.947 175.900 -0.150 0.000 1.000 129 Y CA -1.246 56.805 58.100 -0.082 0.000 1.253 129 Y CB -0.375 38.102 38.460 0.027 0.000 1.140 129 Y HN -0.035 nan 8.280 nan 0.000 0.526 130 V N 10.565 130.495 119.914 0.028 0.000 2.333 130 V HA 0.301 4.420 4.120 -0.001 0.000 0.274 130 V C -1.979 174.120 176.094 0.008 0.000 1.028 130 V CA -1.708 60.558 62.300 -0.056 0.000 0.851 130 V CB 0.906 32.531 31.823 -0.330 0.000 1.000 130 V HN 0.675 nan 8.190 nan 0.000 0.456 131 P HA 0.325 nan 4.420 nan 0.000 0.276 131 P C -1.028 176.373 177.300 0.169 0.000 1.252 131 P CA -0.287 62.877 63.100 0.108 0.000 0.802 131 P CB 1.546 33.251 31.700 0.008 0.000 1.035 132 D N -1.069 119.458 120.400 0.212 0.000 2.457 132 D HA 0.606 5.246 4.640 -0.001 0.000 0.240 132 D C -0.380 176.053 176.300 0.223 0.000 1.041 132 D CA 0.055 54.197 54.000 0.236 0.000 0.861 132 D CB 1.529 42.467 40.800 0.230 0.000 1.394 132 D HN 0.721 nan 8.370 nan 0.000 0.473 133 G N 0.085 108.936 108.800 0.086 0.000 2.576 133 G HA2 -0.005 3.954 3.960 -0.001 0.000 0.686 133 G HA3 -0.005 3.954 3.960 -0.001 0.000 0.686 133 G C -0.084 174.796 174.900 -0.034 0.000 1.242 133 G CA -0.244 44.788 45.100 -0.113 0.000 0.819 133 G HN 0.484 nan 8.290 nan 0.000 0.655 134 V N 0.341 120.192 119.914 -0.105 0.000 3.090 134 V HA 0.224 4.344 4.120 -0.001 0.000 0.237 134 V C 1.469 177.547 176.094 -0.027 0.000 1.209 134 V CA 1.030 63.309 62.300 -0.034 0.000 1.209 134 V CB 0.410 32.208 31.823 -0.043 0.000 0.971 134 V HN 0.876 nan 8.190 nan 0.000 0.477 135 V N 1.130 120.996 119.914 -0.079 0.000 2.555 135 V HA 0.607 4.727 4.120 -0.001 0.000 0.286 135 V C 0.810 176.867 176.094 -0.062 0.000 1.044 135 V CA 0.812 63.069 62.300 -0.072 0.000 1.026 135 V CB 0.638 32.335 31.823 -0.210 0.000 0.981 135 V HN 0.420 nan 8.190 nan 0.000 0.480 136 A N 5.948 128.657 122.820 -0.185 0.000 2.538 136 A HA 0.496 4.815 4.320 -0.001 0.000 0.214 136 A C 0.905 178.024 177.584 -0.776 0.000 2.355 136 A CA -0.307 51.299 52.037 -0.717 0.000 1.493 136 A CB 0.119 18.653 19.000 -0.775 0.000 1.143 136 A HN 0.668 nan 8.150 nan 0.000 0.452 137 R N -0.874 119.126 120.500 -0.834 0.000 2.583 137 R HA 0.529 4.869 4.340 -0.001 0.000 0.268 137 R C -0.062 175.952 176.300 -0.476 0.000 1.101 137 R CA 0.396 56.032 56.100 -0.773 0.000 1.180 137 R CB 0.834 30.504 30.300 -1.050 0.000 1.128 137 R HN 0.703 nan 8.270 nan 0.000 0.568 138 G N -0.049 108.302 108.800 -0.748 0.000 2.684 138 G HA2 0.410 4.370 3.960 -0.001 0.000 0.290 138 G HA3 0.410 4.370 3.960 -0.001 0.000 0.290 138 G C -1.855 172.686 174.900 -0.599 0.000 1.425 138 G CA -0.618 44.078 45.100 -0.674 0.000 0.822 138 G HN 0.332 nan 8.290 nan 0.000 0.482 139 Y N -0.307 119.964 120.300 -0.048 0.000 2.313 139 Y HA 0.649 5.198 4.550 -0.001 0.000 0.332 139 Y C -0.220 175.458 175.900 -0.369 0.000 1.071 139 Y CA -0.143 57.981 58.100 0.041 0.000 1.169 139 Y CB 1.307 39.971 38.460 0.339 0.000 1.192 139 Y HN 0.298 nan 8.280 nan 0.000 0.487 140 F N 3.686 123.767 119.950 0.218 0.000 2.546 140 F HA 0.675 5.201 4.527 -0.001 0.000 0.320 140 F C -0.359 175.655 175.800 0.358 0.000 1.076 140 F CA -1.053 57.056 58.000 0.183 0.000 0.928 140 F CB 1.805 40.821 39.000 0.026 0.000 1.189 140 F HN 0.281 nan 8.300 nan 0.000 0.465 141 I N 1.709 122.548 120.570 0.447 0.000 2.894 141 I HA 0.441 4.611 4.170 -0.001 0.000 0.302 141 I C -0.915 175.281 176.117 0.132 0.000 1.188 141 I CA -1.053 60.506 61.300 0.433 0.000 1.014 141 I CB 1.582 39.844 38.000 0.435 0.000 1.242 141 I HN 0.392 nan 8.210 nan 0.000 0.430 142 R N 4.587 125.088 120.500 0.003 0.000 2.345 142 R HA 0.045 4.385 4.340 -0.001 0.000 0.331 142 R C 0.690 176.928 176.300 -0.104 0.000 1.067 142 R CA 0.266 56.155 56.100 -0.352 0.000 0.962 142 R CB 0.359 30.146 30.300 -0.854 0.000 0.987 142 R HN 0.708 nan 8.270 nan 0.000 0.451 143 E N 2.265 122.395 120.200 -0.117 0.000 2.107 143 E HA -0.177 4.173 4.350 -0.001 0.000 0.191 143 E C 0.609 177.209 176.600 0.000 0.000 0.982 143 E CA 1.230 57.625 56.400 -0.008 0.000 0.809 143 E CB 0.375 30.071 29.700 -0.006 0.000 0.756 143 E HN 0.547 nan 8.360 nan 0.000 0.459 144 D N -0.124 120.226 120.400 -0.083 0.000 2.178 144 D HA -0.209 4.430 4.640 -0.001 0.000 0.201 144 D C 1.488 177.882 176.300 0.158 0.000 0.980 144 D CA 0.723 54.725 54.000 0.004 0.000 0.842 144 D CB -0.824 39.949 40.800 -0.046 0.000 0.948 144 D HN 0.315 nan 8.370 nan 0.000 0.472 145 W N 1.105 122.304 121.300 -0.168 0.000 2.409 145 W HA 0.210 4.870 4.660 -0.000 0.000 0.299 145 W C 2.516 179.028 176.519 -0.012 0.000 1.203 145 W CA -0.058 57.168 57.345 -0.198 0.000 1.298 145 W CB -0.923 28.193 29.460 -0.573 0.000 1.127 145 W HN -0.018 nan 8.180 nan 0.000 0.528 146 L N 0.167 121.582 121.223 0.321 0.000 2.079 146 L HA -0.246 4.094 4.340 -0.001 0.000 0.210 146 L C 2.434 179.390 176.870 0.144 0.000 1.081 146 L CA 1.279 56.279 54.840 0.267 0.000 0.752 146 L CB -0.825 41.353 42.059 0.198 0.000 0.896 146 L HN -0.126 nan 8.230 nan 0.000 0.433 147 K N 0.825 121.294 120.400 0.116 0.000 1.985 147 K HA -0.168 4.152 4.320 -0.001 0.000 0.210 147 K C 2.012 178.646 176.600 0.057 0.000 1.047 147 K CA 1.594 57.924 56.287 0.071 0.000 0.932 147 K CB -0.111 32.424 32.500 0.060 0.000 0.716 147 K HN 0.042 nan 8.250 nan 0.000 0.439 148 K N 0.131 120.567 120.400 0.060 0.000 1.987 148 K HA -0.126 4.193 4.320 -0.001 0.000 0.216 148 K C 1.882 178.484 176.600 0.004 0.000 1.051 148 K CA 1.957 58.254 56.287 0.017 0.000 0.942 148 K CB -0.400 32.088 32.500 -0.020 0.000 0.722 148 K HN 0.108 nan 8.250 nan 0.000 0.444 149 L N 1.278 122.511 121.223 0.017 0.000 2.642 149 L HA -0.087 4.253 4.340 -0.001 0.000 0.236 149 L C 0.546 177.426 176.870 0.017 0.000 1.169 149 L CA 0.115 54.964 54.840 0.014 0.000 0.851 149 L CB -0.769 41.326 42.059 0.060 0.000 0.968 149 L HN 0.453 nan 8.230 nan 0.000 0.453 150 N N 1.112 119.827 118.700 0.026 0.000 2.738 150 N HA -0.188 4.551 4.740 -0.001 0.000 0.249 150 N C -0.723 174.793 175.510 0.011 0.000 1.047 150 N CA 0.601 53.661 53.050 0.016 0.000 0.707 150 N CB -0.915 37.572 38.487 -0.000 0.000 0.937 150 N HN 0.323 nan 8.380 nan 0.000 0.545 151 L N -0.004 121.235 121.223 0.027 0.000 2.333 151 L HA 0.522 4.861 4.340 -0.001 0.000 0.269 151 L C 0.728 177.603 176.870 0.009 0.000 1.010 151 L CA -0.921 53.920 54.840 0.003 0.000 0.818 151 L CB 1.635 43.688 42.059 -0.010 0.000 1.306 151 L HN -0.123 nan 8.230 nan 0.000 0.430 152 K N 1.474 121.865 120.400 -0.016 0.000 2.090 152 K HA 0.435 4.755 4.320 -0.001 0.000 0.249 152 K C -2.376 174.207 176.600 -0.027 0.000 0.995 152 K CA -1.613 54.667 56.287 -0.011 0.000 0.914 152 K CB 0.872 33.361 32.500 -0.018 0.000 1.057 152 K HN 0.363 nan 8.250 nan 0.000 0.462 153 P HA 0.061 nan 4.420 nan 0.000 0.268 153 P C -2.554 174.701 177.300 -0.075 0.000 1.204 153 P CA -1.061 62.022 63.100 -0.028 0.000 0.768 153 P CB -0.135 31.573 31.700 0.014 0.000 0.842 154 P HA 0.064 nan 4.420 nan 0.000 0.267 154 P C 0.326 177.539 177.300 -0.144 0.000 1.205 154 P CA 0.157 63.152 63.100 -0.175 0.000 0.765 154 P CB 0.808 32.339 31.700 -0.283 0.000 0.828 155 Q N 1.576 121.299 119.800 -0.128 0.000 2.396 155 Q HA 0.102 4.441 4.340 -0.001 0.000 0.209 155 Q C 0.813 176.732 176.000 -0.134 0.000 0.906 155 Q CA 0.796 56.534 55.803 -0.109 0.000 0.927 155 Q CB 0.289 28.980 28.738 -0.077 0.000 1.069 155 Q HN 0.695 nan 8.270 nan 0.000 0.523 156 N N -1.432 117.169 118.700 -0.165 0.000 2.853 156 N HA 0.167 4.907 4.740 -0.001 0.000 0.258 156 N C 0.434 175.787 175.510 -0.260 0.000 1.444 156 N CA -0.565 52.372 53.050 -0.188 0.000 0.837 156 N CB 0.924 39.322 38.487 -0.150 0.000 1.489 156 N HN -0.188 nan 8.380 nan 0.000 0.529 157 I N 0.959 121.346 120.570 -0.305 0.000 2.335 157 I HA -0.206 3.963 4.170 -0.001 0.000 0.251 157 I C 1.342 177.333 176.117 -0.211 0.000 1.129 157 I CA 1.559 62.612 61.300 -0.412 0.000 1.402 157 I CB -0.669 36.993 38.000 -0.564 0.000 1.069 157 I HN 0.516 nan 8.210 nan 0.000 0.424 158 D N 0.629 120.947 120.400 -0.137 0.000 2.084 158 D HA -0.182 4.458 4.640 -0.001 0.000 0.194 158 D C 2.133 178.399 176.300 -0.057 0.000 0.990 158 D CA 1.549 55.523 54.000 -0.043 0.000 0.826 158 D CB -0.172 40.601 40.800 -0.045 0.000 0.971 158 D HN 0.513 nan 8.370 nan 0.000 0.453 159 E N 0.374 120.498 120.200 -0.127 0.000 2.106 159 E HA -0.103 4.246 4.350 -0.001 0.000 0.192 159 E C 2.307 178.761 176.600 -0.243 0.000 0.984 159 E CA 0.066 56.367 56.400 -0.164 0.000 0.806 159 E CB -0.032 29.571 29.700 -0.161 0.000 0.750 159 E HN 0.231 nan 8.360 nan 0.000 0.458 160 L N 0.444 121.493 121.223 -0.290 0.000 2.012 160 L HA -0.253 4.087 4.340 -0.001 0.000 0.210 160 L C 2.565 179.204 176.870 -0.385 0.000 1.073 160 L CA 1.590 56.179 54.840 -0.418 0.000 0.748 160 L CB -0.308 41.434 42.059 -0.528 0.000 0.891 160 L HN 0.215 nan 8.230 nan 0.000 0.431 161 Y N 0.772 120.839 120.300 -0.387 0.000 2.128 161 Y HA -0.291 4.259 4.550 -0.001 0.000 0.284 161 Y C 2.574 178.210 175.900 -0.440 0.000 1.154 161 Y CA 2.242 60.043 58.100 -0.497 0.000 1.149 161 Y CB -0.812 37.512 38.460 -0.227 0.000 0.976 161 Y HN 0.167 nan 8.280 nan 0.000 0.505 162 T N -0.175 114.173 114.554 -0.344 0.000 2.652 162 T HA -0.206 4.143 4.350 -0.001 0.000 0.267 162 T C 2.123 176.562 174.700 -0.436 0.000 1.039 162 T CA 2.063 63.932 62.100 -0.385 0.000 1.153 162 T CB -0.909 67.822 68.868 -0.229 0.000 0.863 162 T HN 0.209 nan 8.240 nan 0.000 0.428 163 V N 1.744 121.386 119.914 -0.454 0.000 2.287 163 V HA -0.136 3.983 4.120 -0.001 0.000 0.248 163 V C 2.527 178.130 176.094 -0.819 0.000 1.053 163 V CA 1.542 63.488 62.300 -0.590 0.000 1.027 163 V CB -0.785 30.656 31.823 -0.636 0.000 0.646 163 V HN 0.455 nan 8.190 nan 0.000 0.447 164 L N -0.665 120.107 121.223 -0.753 0.000 2.131 164 L HA -0.171 4.169 4.340 -0.001 0.000 0.210 164 L C 2.578 179.216 176.870 -0.387 0.000 1.092 164 L CA 1.545 56.029 54.840 -0.594 0.000 0.759 164 L CB -0.720 41.049 42.059 -0.483 0.000 0.903 164 L HN 0.305 nan 8.230 nan 0.000 0.435 165 K N 0.271 120.370 120.400 -0.503 0.000 2.103 165 K HA -0.077 4.243 4.320 -0.001 0.000 0.204 165 K C 2.291 178.743 176.600 -0.247 0.000 1.052 165 K CA 1.162 57.202 56.287 -0.412 0.000 0.945 165 K CB -0.123 32.026 32.500 -0.585 0.000 0.722 165 K HN 0.261 nan 8.250 nan 0.000 0.443 166 A N 1.384 124.055 122.820 -0.248 0.000 1.877 166 A HA -0.169 4.151 4.320 -0.001 0.000 0.216 166 A C 1.892 179.500 177.584 0.040 0.000 1.186 166 A CA 1.299 53.265 52.037 -0.119 0.000 0.620 166 A CB -0.656 18.273 19.000 -0.119 0.000 0.822 166 A HN 0.145 nan 8.150 nan 0.000 0.443 167 F N 0.142 120.009 119.950 -0.138 0.000 2.126 167 F HA -0.137 4.390 4.527 -0.001 0.000 0.299 167 F C 2.249 177.956 175.800 -0.155 0.000 1.096 167 F CA 1.649 59.583 58.000 -0.110 0.000 1.255 167 F CB -0.661 38.390 39.000 0.085 0.000 0.997 167 F HN 0.322 nan 8.300 nan 0.000 0.479 168 K N 0.072 120.517 120.400 0.076 0.000 2.243 168 K HA -0.072 4.248 4.320 -0.001 0.000 0.201 168 K C 1.659 178.221 176.600 -0.064 0.000 1.051 168 K CA 1.033 57.316 56.287 -0.006 0.000 0.970 168 K CB 0.139 32.626 32.500 -0.021 0.000 0.755 168 K HN 0.217 nan 8.250 nan 0.000 0.465 169 E N -0.039 120.111 120.200 -0.083 0.000 2.201 169 E HA 0.015 4.365 4.350 -0.001 0.000 0.193 169 E C 0.488 177.029 176.600 -0.098 0.000 0.957 169 E CA 0.463 56.807 56.400 -0.093 0.000 0.858 169 E CB 0.471 30.107 29.700 -0.107 0.000 0.816 169 E HN 0.094 nan 8.360 nan 0.000 0.475 170 K N 1.820 122.157 120.400 -0.104 0.000 2.708 170 K HA 0.028 4.348 4.320 -0.001 0.000 0.219 170 K C -0.638 175.864 176.600 -0.163 0.000 1.068 170 K CA -0.111 56.108 56.287 -0.114 0.000 1.212 170 K CB 0.109 32.554 32.500 -0.092 0.000 0.978 170 K HN -0.045 nan 8.250 nan 0.000 0.475 171 D N 2.052 122.339 120.400 -0.189 0.000 2.971 171 D HA -0.133 4.506 4.640 -0.001 0.000 0.212 171 D C -1.292 174.793 176.300 -0.358 0.000 1.243 171 D CA -0.019 53.835 54.000 -0.244 0.000 0.781 171 D CB 0.323 41.027 40.800 -0.160 0.000 0.894 171 D HN 0.231 nan 8.370 nan 0.000 0.392 172 P HA -0.192 nan 4.420 nan 0.000 0.217 172 P C 0.993 177.850 177.300 -0.739 0.000 1.151 172 P CA 1.282 63.860 63.100 -0.871 0.000 0.828 172 P CB -0.024 30.661 31.700 -1.691 0.000 0.788 173 N N -0.138 118.174 118.700 -0.648 0.000 2.521 173 N HA 0.005 4.745 4.740 -0.001 0.000 0.188 173 N C 1.387 176.827 175.510 -0.117 0.000 1.146 173 N CA 0.866 53.802 53.050 -0.191 0.000 0.893 173 N CB -1.676 36.817 38.487 0.010 0.000 0.975 173 N HN 0.157 nan 8.380 nan 0.000 0.451 174 G N 1.241 109.936 108.800 -0.175 0.000 2.361 174 G HA2 -0.394 3.566 3.960 -0.001 0.000 0.294 174 G HA3 -0.394 3.566 3.960 -0.001 0.000 0.294 174 G C 0.244 175.106 174.900 -0.063 0.000 1.004 174 G CA 0.695 45.730 45.100 -0.108 0.000 0.870 174 G HN 0.828 nan 8.290 nan 0.000 0.510 175 N N -0.467 118.200 118.700 -0.056 0.000 2.346 175 N HA 0.405 5.145 4.740 -0.001 0.000 0.225 175 N C 1.539 177.029 175.510 -0.034 0.000 1.144 175 N CA 0.332 53.364 53.050 -0.029 0.000 0.837 175 N CB 0.035 38.516 38.487 -0.011 0.000 1.069 175 N HN 1.319 nan 8.380 nan 0.000 0.487 176 G N -0.415 108.357 108.800 -0.047 0.000 2.233 176 G HA2 -0.351 3.609 3.960 -0.001 0.000 0.270 176 G HA3 -0.351 3.609 3.960 -0.001 0.000 0.270 176 G C -0.323 174.552 174.900 -0.041 0.000 1.011 176 G CA 0.719 45.793 45.100 -0.044 0.000 0.762 176 G HN 0.562 nan 8.290 nan 0.000 0.511 177 K N -0.910 119.461 120.400 -0.047 0.000 2.385 177 K HA 0.716 5.036 4.320 -0.001 0.000 0.248 177 K C 0.082 176.651 176.600 -0.053 0.000 0.955 177 K CA -0.391 55.873 56.287 -0.039 0.000 0.816 177 K CB 2.071 34.557 32.500 -0.024 0.000 1.250 177 K HN 0.389 nan 8.250 nan 0.000 0.434 178 A N 2.350 125.144 122.820 -0.043 0.000 3.215 178 A HA 0.078 4.398 4.320 -0.001 0.000 0.269 178 A C 0.031 177.598 177.584 -0.029 0.000 1.517 178 A CA -0.285 51.724 52.037 -0.047 0.000 1.221 178 A CB -0.623 18.352 19.000 -0.042 0.000 1.160 178 A HN 0.743 nan 8.150 nan 0.000 0.620 179 D N -0.713 119.672 120.400 -0.024 0.000 2.369 179 D HA 0.060 4.700 4.640 -0.001 0.000 0.211 179 D C -0.112 176.206 176.300 0.031 0.000 1.077 179 D CA 0.002 54.004 54.000 0.004 0.000 0.842 179 D CB 0.015 40.822 40.800 0.013 0.000 0.947 179 D HN 0.380 nan 8.370 nan 0.000 0.509 180 E N 0.063 120.270 120.200 0.011 0.000 2.360 180 E HA 0.321 4.671 4.350 -0.001 0.000 0.269 180 E C -0.564 176.110 176.600 0.124 0.000 1.022 180 E CA -0.183 56.261 56.400 0.073 0.000 0.887 180 E CB 1.782 31.454 29.700 -0.048 0.000 0.990 180 E HN -0.087 nan 8.360 nan 0.000 0.426 181 V N 6.285 126.321 119.914 0.203 0.000 2.305 181 V HA 0.151 4.270 4.120 -0.001 0.000 0.275 181 V C -1.845 174.428 176.094 0.297 0.000 1.020 181 V CA -1.481 60.929 62.300 0.183 0.000 0.811 181 V CB 1.314 33.206 31.823 0.114 0.000 1.031 181 V HN 0.599 nan 8.190 nan 0.000 0.439 182 P HA -0.195 nan 4.420 nan 0.000 0.214 182 P C 0.254 177.907 177.300 0.587 0.000 1.172 182 P CA 1.445 64.856 63.100 0.518 0.000 0.925 182 P CB 0.190 32.102 31.700 0.353 0.000 0.793 183 F N 0.234 120.402 119.950 0.364 0.000 2.411 183 F HA 0.492 5.018 4.527 -0.001 0.000 0.352 183 F C -0.161 175.750 175.800 0.185 0.000 1.123 183 F CA -1.427 56.789 58.000 0.361 0.000 1.044 183 F CB 0.383 39.638 39.000 0.424 0.000 1.135 183 F HN -0.202 nan 8.300 nan 0.000 0.461 184 I N 2.829 123.037 120.570 -0.603 0.000 2.934 184 I HA 0.717 4.887 4.170 -0.001 0.000 0.306 184 I C -1.664 173.937 176.117 -0.860 0.000 1.110 184 I CA -0.579 60.370 61.300 -0.586 0.000 1.019 184 I CB 2.321 40.074 38.000 -0.412 0.000 1.227 184 I HN 0.508 nan 8.210 nan 0.000 0.434 185 D N 1.949 122.011 120.400 -0.563 0.000 2.812 185 D HA 0.205 4.845 4.640 -0.001 0.000 0.210 185 D C 0.098 176.258 176.300 -0.234 0.000 1.260 185 D CA -0.466 53.301 54.000 -0.388 0.000 0.817 185 D CB 2.021 42.647 40.800 -0.290 0.000 1.694 185 D HN 0.869 nan 8.370 nan 0.000 0.530 186 R N 1.392 121.746 120.500 -0.244 0.000 2.235 186 R HA 0.020 4.360 4.340 -0.001 0.000 0.213 186 R C 0.167 176.321 176.300 -0.243 0.000 1.059 186 R CA 0.747 56.689 56.100 -0.265 0.000 0.997 186 R CB -0.013 30.087 30.300 -0.334 0.000 0.884 186 R HN 0.242 nan 8.270 nan 0.000 0.462 187 H N 0.878 119.999 119.070 0.085 0.000 2.638 187 H HA 0.221 4.777 4.556 -0.001 0.000 0.303 187 H C -1.932 173.447 175.328 0.084 0.000 1.034 187 H CA -2.783 53.350 56.048 0.141 0.000 1.225 187 H CB 1.843 31.770 29.762 0.275 0.000 1.394 187 H HN -0.097 nan 8.280 nan 0.000 0.477 188 P HA -0.174 nan 4.420 nan 0.000 0.216 188 P C 0.767 178.141 177.300 0.123 0.000 1.154 188 P CA 1.322 64.496 63.100 0.124 0.000 0.865 188 P CB 0.425 32.310 31.700 0.308 0.000 0.789 189 D N -0.948 119.528 120.400 0.126 0.000 2.315 189 D HA -0.162 4.478 4.640 -0.001 0.000 0.211 189 D C 1.734 178.109 176.300 0.126 0.000 0.977 189 D CA 0.780 54.837 54.000 0.095 0.000 0.894 189 D CB -0.487 39.823 40.800 -0.815 0.000 0.910 189 D HN 0.206 nan 8.370 nan 0.000 0.490 190 E N 0.151 120.447 120.200 0.159 0.000 2.338 190 E HA -0.091 4.259 4.350 -0.001 0.000 0.197 190 E C 2.080 178.859 176.600 0.298 0.000 1.007 190 E CA 0.061 56.682 56.400 0.368 0.000 0.849 190 E CB -0.185 29.806 29.700 0.485 0.000 0.774 190 E HN 0.229 nan 8.360 nan 0.000 0.506 191 V N 0.104 120.077 119.914 0.098 0.000 2.515 191 V HA -0.223 3.897 4.120 -0.001 0.000 0.250 191 V C 1.652 177.629 176.094 -0.195 0.000 1.058 191 V CA 1.363 63.592 62.300 -0.119 0.000 1.064 191 V CB -0.388 31.198 31.823 -0.396 0.000 0.675 191 V HN 0.091 nan 8.190 nan 0.000 0.461 192 F N 0.478 120.536 119.950 0.181 0.000 2.325 192 F HA 0.053 4.580 4.527 -0.001 0.000 0.299 192 F C 2.409 178.293 175.800 0.140 0.000 1.090 192 F CA 1.369 59.455 58.000 0.143 0.000 1.392 192 F CB -0.696 38.476 39.000 0.286 0.000 1.053 192 F HN 0.104 nan 8.300 nan 0.000 0.521 193 R N 1.018 121.724 120.500 0.343 0.000 2.241 193 R HA -0.087 4.252 4.340 -0.001 0.000 0.224 193 R C 1.722 178.064 176.300 0.069 0.000 1.101 193 R CA 0.898 57.145 56.100 0.245 0.000 0.995 193 R CB -0.633 29.831 30.300 0.273 0.000 0.870 193 R HN 0.340 nan 8.270 nan 0.000 0.463 194 L N 0.310 121.556 121.223 0.038 0.000 2.265 194 L HA -0.128 4.212 4.340 -0.001 0.000 0.215 194 L C 2.093 178.980 176.870 0.028 0.000 1.117 194 L CA 0.974 55.818 54.840 0.008 0.000 0.782 194 L CB -0.581 41.442 42.059 -0.060 0.000 0.914 194 L HN 0.208 nan 8.230 nan 0.000 0.441 195 V N -3.420 116.526 119.914 0.052 0.000 3.026 195 V HA -0.233 3.886 4.120 -0.001 0.000 0.265 195 V C 1.753 177.867 176.094 0.033 0.000 1.121 195 V CA 1.846 64.206 62.300 0.100 0.000 1.142 195 V CB -1.189 30.599 31.823 -0.058 0.000 0.730 195 V HN 0.504 nan 8.190 nan 0.000 0.503 196 N N 0.367 119.014 118.700 -0.089 0.000 2.149 196 N HA -0.139 4.601 4.740 -0.001 0.000 0.188 196 N C 1.400 176.628 175.510 -0.469 0.000 1.019 196 N CA 1.678 54.646 53.050 -0.136 0.000 0.857 196 N CB -0.313 38.060 38.487 -0.190 0.000 0.997 196 N HN 0.549 nan 8.380 nan 0.000 0.426 197 F N -0.694 118.957 119.950 -0.499 0.000 2.583 197 F HA -0.088 4.438 4.527 -0.001 0.000 0.297 197 F C 0.983 176.023 175.800 -1.268 0.000 1.131 197 F CA 0.458 57.871 58.000 -0.978 0.000 1.467 197 F CB -0.037 38.131 39.000 -1.387 0.000 1.097 197 F HN 0.222 nan 8.300 nan 0.000 0.586 198 W N -0.138 120.999 121.300 -0.271 0.000 2.506 198 W HA 0.423 5.083 4.660 -0.000 0.000 0.394 198 W C 1.208 177.540 176.519 -0.311 0.000 0.920 198 W CA 0.207 57.361 57.345 -0.319 0.000 2.221 198 W CB -0.034 29.216 29.460 -0.350 0.000 1.197 198 W HN 0.104 nan 8.180 nan 0.000 0.627 199 G N 1.480 110.045 108.800 -0.391 0.000 2.153 199 G HA2 -0.108 3.851 3.960 -0.001 0.000 0.252 199 G HA3 -0.108 3.851 3.960 -0.001 0.000 0.252 199 G C 0.185 175.014 174.900 -0.120 0.000 0.994 199 G CA 0.339 45.128 45.100 -0.518 0.000 0.698 199 G HN 0.424 nan 8.290 nan 0.000 0.521 200 A N -0.305 122.547 122.820 0.053 0.000 2.337 200 A HA 0.876 5.196 4.320 -0.001 0.000 0.329 200 A C 0.493 178.271 177.584 0.323 0.000 1.146 200 A CA -0.634 51.532 52.037 0.215 0.000 0.800 200 A CB 0.999 20.092 19.000 0.154 0.000 1.220 200 A HN 0.402 nan 8.150 nan 0.000 0.472 201 R N 0.662 121.295 120.500 0.221 0.000 2.532 201 R HA 0.445 4.784 4.340 -0.001 0.000 0.272 201 R C 0.719 177.103 176.300 0.140 0.000 1.032 201 R CA 0.389 56.517 56.100 0.047 0.000 1.089 201 R CB 1.185 31.238 30.300 -0.413 0.000 1.098 201 R HN 0.876 nan 8.270 nan 0.000 0.526 202 S N -1.325 114.473 115.700 0.164 0.000 2.604 202 S HA 0.116 4.585 4.470 -0.001 0.000 0.235 202 S C 0.231 175.061 174.600 0.382 0.000 1.043 202 S CA -0.239 58.161 58.200 0.332 0.000 0.997 202 S CB 0.718 64.182 63.200 0.439 0.000 0.956 202 S HN 0.458 nan 8.310 nan 0.000 0.535 203 S N -1.151 114.650 115.700 0.169 0.000 2.580 203 S HA 0.545 5.014 4.470 -0.001 0.000 0.281 203 S C 0.408 175.030 174.600 0.036 0.000 1.129 203 S CA -0.026 58.254 58.200 0.134 0.000 0.862 203 S CB 0.857 64.203 63.200 0.243 0.000 1.090 203 S HN 0.422 nan 8.310 nan 0.000 0.451 204 G N 1.415 110.268 108.800 0.089 0.000 2.712 204 G HA2 0.357 4.317 3.960 -0.001 0.000 0.212 204 G HA3 0.357 4.317 3.960 -0.001 0.000 0.212 204 G C 0.508 175.512 174.900 0.173 0.000 1.142 204 G CA 0.771 45.955 45.100 0.141 0.000 0.789 204 G HN 1.387 nan 8.290 nan 0.000 0.535 205 S N -1.442 114.351 115.700 0.154 0.000 2.776 205 S HA 0.328 4.798 4.470 -0.001 0.000 0.292 205 S C 0.276 174.908 174.600 0.054 0.000 1.187 205 S CA 0.165 58.437 58.200 0.121 0.000 0.834 205 S CB 1.254 64.547 63.200 0.157 0.000 1.199 205 S HN -0.078 nan 8.310 nan 0.000 0.514 206 D N 0.391 120.805 120.400 0.024 0.000 2.263 206 D HA -0.013 4.627 4.640 -0.001 0.000 0.208 206 D C 0.114 176.315 176.300 -0.165 0.000 0.971 206 D CA 0.884 54.853 54.000 -0.051 0.000 0.867 206 D CB -0.546 40.266 40.800 0.020 0.000 0.929 206 D HN 0.577 nan 8.370 nan 0.000 0.492 207 N N -0.201 118.469 118.700 -0.050 0.000 2.497 207 N HA 0.084 4.823 4.740 -0.001 0.000 0.271 207 N C -0.831 174.676 175.510 -0.005 0.000 1.142 207 N CA -0.455 52.574 53.050 -0.035 0.000 0.965 207 N CB 0.449 38.995 38.487 0.099 0.000 1.077 207 N HN 0.058 nan 8.380 nan 0.000 0.462 208 Y N 1.984 122.399 120.300 0.192 0.000 2.578 208 Y HA -0.040 4.510 4.550 -0.001 0.000 0.339 208 Y C 1.172 177.181 175.900 0.181 0.000 1.231 208 Y CA 0.024 58.260 58.100 0.227 0.000 1.461 208 Y CB 0.273 38.889 38.460 0.260 0.000 1.323 208 Y HN 0.527 nan 8.280 nan 0.000 0.590 209 M N 0.859 120.681 119.600 0.370 0.000 2.360 209 M HA -0.275 4.204 4.480 -0.001 0.000 0.202 209 M C -0.996 175.400 176.300 0.160 0.000 0.390 209 M CA 0.637 56.007 55.300 0.117 0.000 0.470 209 M CB -1.037 31.456 32.600 -0.180 0.000 1.637 209 M HN 0.594 nan 8.290 nan 0.000 0.885 210 D N -0.296 120.178 120.400 0.123 0.000 2.277 210 D HA 0.562 5.202 4.640 -0.001 0.000 0.250 210 D C -0.171 176.079 176.300 -0.084 0.000 1.032 210 D CA -0.187 53.883 54.000 0.117 0.000 0.947 210 D CB 0.709 41.662 40.800 0.255 0.000 1.159 210 D HN 0.083 nan 8.370 nan 0.000 0.460 211 F N 1.100 121.085 119.950 0.059 0.000 2.440 211 F HA 0.258 4.785 4.527 -0.001 0.000 0.323 211 F C 0.422 176.103 175.800 -0.198 0.000 1.192 211 F CA -0.139 57.783 58.000 -0.131 0.000 1.252 211 F CB 0.198 39.036 39.000 -0.269 0.000 1.214 211 F HN 0.240 nan 8.300 nan 0.000 0.578 212 Y N -0.787 119.340 120.300 -0.289 0.000 2.609 212 Y HA 0.744 5.294 4.550 -0.001 0.000 0.342 212 Y C -1.575 174.021 175.900 -0.507 0.000 1.058 212 Y CA -2.164 55.704 58.100 -0.387 0.000 1.055 212 Y CB 0.787 39.139 38.460 -0.181 0.000 1.292 212 Y HN 0.263 nan 8.280 nan 0.000 0.476 213 I N 2.535 122.814 120.570 -0.485 0.000 2.336 213 I HA 0.276 4.445 4.170 -0.001 0.000 0.292 213 I C -1.020 174.893 176.117 -0.339 0.000 0.991 213 I CA -0.403 60.554 61.300 -0.571 0.000 1.227 213 I CB 1.077 38.780 38.000 -0.495 0.000 1.366 213 I HN 0.778 nan 8.210 nan 0.000 0.466 214 D N 6.980 127.138 120.400 -0.404 0.000 2.420 214 D HA 0.169 4.809 4.640 -0.001 0.000 0.255 214 D C 0.259 176.481 176.300 -0.130 0.000 1.185 214 D CA -0.100 53.789 54.000 -0.185 0.000 0.904 214 D CB 0.446 41.132 40.800 -0.190 0.000 1.102 214 D HN 0.547 nan 8.370 nan 0.000 0.534 215 N N 3.780 122.444 118.700 -0.061 0.000 2.746 215 N HA -0.204 4.535 4.740 -0.001 0.000 0.250 215 N C 0.842 176.331 175.510 -0.035 0.000 1.055 215 N CA 1.328 54.362 53.050 -0.026 0.000 0.699 215 N CB -1.132 37.347 38.487 -0.013 0.000 0.919 215 N HN 1.008 nan 8.380 nan 0.000 0.548 216 G N -0.105 108.674 108.800 -0.035 0.000 2.175 216 G HA2 -0.330 3.630 3.960 -0.001 0.000 0.265 216 G HA3 -0.330 3.630 3.960 -0.001 0.000 0.265 216 G C 0.015 174.850 174.900 -0.108 0.000 0.979 216 G CA 0.864 45.983 45.100 0.031 0.000 0.663 216 G HN 0.565 nan 8.290 nan 0.000 0.533 217 R N 0.054 120.418 120.500 -0.227 0.000 2.338 217 R HA 0.507 4.846 4.340 -0.001 0.000 0.317 217 R C -0.016 176.011 176.300 -0.455 0.000 0.968 217 R CA -0.714 55.223 56.100 -0.272 0.000 0.849 217 R CB 1.781 31.962 30.300 -0.197 0.000 1.128 217 R HN 0.100 nan 8.270 nan 0.000 0.448 218 V N 4.667 124.305 119.914 -0.460 0.000 2.470 218 V HA 0.173 4.292 4.120 -0.001 0.000 0.276 218 V C 0.495 176.366 176.094 -0.371 0.000 1.040 218 V CA 0.247 62.226 62.300 -0.535 0.000 1.008 218 V CB 0.488 32.026 31.823 -0.475 0.000 0.990 218 V HN 0.561 nan 8.190 nan 0.000 0.477 219 K N 2.719 122.865 120.400 -0.423 0.000 2.444 219 K HA 0.554 4.874 4.320 -0.001 0.000 0.252 219 K C -1.301 175.301 176.600 0.003 0.000 0.993 219 K CA -1.093 55.050 56.287 -0.240 0.000 0.847 219 K CB 2.464 34.702 32.500 -0.436 0.000 1.340 219 K HN 0.738 nan 8.250 nan 0.000 0.446 220 H N 2.687 121.834 119.070 0.128 0.000 2.551 220 H HA 0.202 4.758 4.556 -0.001 0.000 0.321 220 H C -1.828 173.680 175.328 0.300 0.000 1.028 220 H CA -2.096 54.041 56.048 0.148 0.000 1.215 220 H CB 1.425 31.211 29.762 0.039 0.000 1.414 220 H HN 0.285 nan 8.280 nan 0.000 0.480 221 P HA -0.228 nan 4.420 nan 0.000 0.217 221 P C 0.749 178.180 177.300 0.218 0.000 1.151 221 P CA 1.338 64.581 63.100 0.238 0.000 0.849 221 P CB 0.135 31.869 31.700 0.058 0.000 0.787 222 W N 0.198 121.441 121.300 -0.095 0.000 2.699 222 W HA 0.209 4.869 4.660 -0.001 0.000 0.249 222 W C 2.421 179.072 176.519 0.219 0.000 1.280 222 W CA 0.869 57.969 57.345 -0.408 0.000 1.345 222 W CB -1.108 28.214 29.460 -0.229 0.000 1.128 222 W HN 0.037 nan 8.180 nan 0.000 0.642 223 A N -0.841 122.315 122.820 0.559 0.000 2.220 223 A HA 0.129 4.449 4.320 -0.001 0.000 0.211 223 A C 0.591 178.534 177.584 0.599 0.000 1.176 223 A CA 0.057 52.390 52.037 0.494 0.000 0.834 223 A CB -0.219 18.987 19.000 0.343 0.000 0.868 223 A HN 0.016 nan 8.150 nan 0.000 0.488 224 E N -0.053 120.494 120.200 0.579 0.000 2.366 224 E HA 0.275 4.624 4.350 -0.001 0.000 0.266 224 E C 1.537 178.469 176.600 0.553 0.000 1.051 224 E CA 0.640 57.346 56.400 0.510 0.000 0.884 224 E CB 1.023 30.961 29.700 0.396 0.000 1.006 224 E HN 0.373 nan 8.360 nan 0.000 0.417 225 T N 0.238 115.014 114.554 0.370 0.000 2.929 225 T HA -0.164 4.185 4.350 -0.001 0.000 0.271 225 T C 1.709 176.364 174.700 -0.074 0.000 1.085 225 T CA 0.951 63.090 62.100 0.064 0.000 1.125 225 T CB -0.161 68.737 68.868 0.050 0.000 0.874 225 T HN 0.392 nan 8.240 nan 0.000 0.494 226 A N 0.936 123.807 122.820 0.085 0.000 1.933 226 A HA 0.076 4.395 4.320 -0.001 0.000 0.218 226 A C 1.991 179.594 177.584 0.032 0.000 1.175 226 A CA 1.362 53.434 52.037 0.057 0.000 0.628 226 A CB -1.159 17.926 19.000 0.141 0.000 0.814 226 A HN 0.542 nan 8.150 nan 0.000 0.444 227 F N 0.460 120.398 119.950 -0.019 0.000 2.216 227 F HA -0.119 4.408 4.527 -0.001 0.000 0.300 227 F C 2.339 177.988 175.800 -0.252 0.000 1.085 227 F CA 1.776 59.746 58.000 -0.051 0.000 1.326 227 F CB -0.164 38.906 39.000 0.117 0.000 1.027 227 F HN 0.215 nan 8.300 nan 0.000 0.497 228 R N 0.387 120.609 120.500 -0.462 0.000 2.073 228 R HA -0.163 4.176 4.340 -0.001 0.000 0.234 228 R C 1.806 177.667 176.300 -0.732 0.000 1.134 228 R CA 2.119 57.626 56.100 -0.988 0.000 0.952 228 R CB -0.597 28.615 30.300 -1.814 0.000 0.850 228 R HN 0.235 nan 8.270 nan 0.000 0.433 229 D N -0.683 119.397 120.400 -0.533 0.000 2.178 229 D HA -0.083 4.557 4.640 -0.001 0.000 0.202 229 D C 1.711 177.774 176.300 -0.395 0.000 0.974 229 D CA 1.416 55.162 54.000 -0.422 0.000 0.841 229 D CB -0.358 40.284 40.800 -0.262 0.000 0.953 229 D HN 0.511 nan 8.370 nan 0.000 0.478 230 G N 0.849 109.441 108.800 -0.347 0.000 2.402 230 G HA2 -0.202 3.758 3.960 -0.001 0.000 0.216 230 G HA3 -0.202 3.758 3.960 -0.001 0.000 0.216 230 G C 1.569 176.160 174.900 -0.515 0.000 1.162 230 G CA 0.348 45.267 45.100 -0.302 0.000 0.777 230 G HN 0.095 nan 8.290 nan 0.000 0.539 231 M N 0.528 119.736 119.600 -0.655 0.000 2.213 231 M HA 0.019 4.499 4.480 -0.001 0.000 0.263 231 M C 2.345 178.324 176.300 -0.535 0.000 1.062 231 M CA 1.035 55.972 55.300 -0.605 0.000 1.105 231 M CB -0.772 31.420 32.600 -0.680 0.000 1.385 231 M HN 0.233 nan 8.290 nan 0.000 0.417 232 K N -0.796 119.234 120.400 -0.616 0.000 2.063 232 K HA -0.187 4.133 4.320 -0.001 0.000 0.208 232 K C 1.842 178.051 176.600 -0.651 0.000 1.048 232 K CA 1.532 57.456 56.287 -0.604 0.000 0.928 232 K CB -0.289 31.815 32.500 -0.661 0.000 0.713 232 K HN 0.427 nan 8.250 nan 0.000 0.442 233 H N -0.351 118.218 119.070 -0.835 0.000 2.357 233 H HA -0.071 4.485 4.556 -0.001 0.000 0.301 233 H C 2.049 176.862 175.328 -0.859 0.000 1.082 233 H CA 1.338 56.741 56.048 -1.075 0.000 1.342 233 H CB -0.048 28.313 29.762 -2.335 0.000 1.389 233 H HN -0.098 nan 8.280 nan 0.000 0.511 234 V N 0.793 120.330 119.914 -0.629 0.000 2.332 234 V HA -0.296 3.824 4.120 -0.001 0.000 0.248 234 V C 2.566 178.609 176.094 -0.085 0.000 1.055 234 V CA 1.747 63.834 62.300 -0.354 0.000 1.038 234 V CB -0.986 30.689 31.823 -0.247 0.000 0.651 234 V HN 0.590 nan 8.190 nan 0.000 0.450 235 A N -0.580 122.171 122.820 -0.116 0.000 1.933 235 A HA -0.276 4.043 4.320 -0.001 0.000 0.218 235 A C 2.173 179.820 177.584 0.105 0.000 1.175 235 A CA 2.057 54.099 52.037 0.009 0.000 0.628 235 A CB -0.484 18.479 19.000 -0.062 0.000 0.814 235 A HN 0.537 nan 8.150 nan 0.000 0.444 236 Q N -1.123 118.699 119.800 0.037 0.000 2.079 236 Q HA -0.156 4.184 4.340 -0.001 0.000 0.200 236 Q C 1.645 177.837 176.000 0.319 0.000 0.974 236 Q CA 1.820 57.696 55.803 0.122 0.000 0.840 236 Q CB -0.455 28.305 28.738 0.036 0.000 0.898 236 Q HN 0.717 nan 8.270 nan 0.000 0.430 237 W N -0.471 120.862 121.300 0.056 0.000 2.363 237 W HA -0.147 4.513 4.660 -0.001 0.000 0.296 237 W C 2.163 178.769 176.519 0.145 0.000 1.212 237 W CA 1.104 58.529 57.345 0.135 0.000 1.260 237 W CB -1.249 28.300 29.460 0.148 0.000 1.131 237 W HN 0.319 nan 8.180 nan 0.000 0.530 238 Y N 1.420 121.887 120.300 0.279 0.000 2.200 238 Y HA -0.236 4.314 4.550 -0.001 0.000 0.290 238 Y C 2.607 178.593 175.900 0.143 0.000 1.137 238 Y CA 2.609 60.821 58.100 0.186 0.000 1.163 238 Y CB -0.534 38.011 38.460 0.141 0.000 0.988 238 Y HN -0.067 nan 8.280 nan 0.000 0.518 239 K N 0.499 121.071 120.400 0.287 0.000 2.147 239 K HA -0.204 4.116 4.320 -0.001 0.000 0.205 239 K C 1.362 178.004 176.600 0.069 0.000 1.049 239 K CA 1.972 58.362 56.287 0.171 0.000 0.936 239 K CB -0.176 32.417 32.500 0.155 0.000 0.722 239 K HN 0.452 nan 8.250 nan 0.000 0.446 240 E N -0.854 119.394 120.200 0.081 0.000 2.489 240 E HA 0.041 4.391 4.350 -0.001 0.000 0.193 240 E C 0.509 177.097 176.600 -0.020 0.000 1.057 240 E CA 0.323 56.741 56.400 0.029 0.000 0.866 240 E CB 0.353 30.081 29.700 0.046 0.000 0.916 240 E HN 0.603 nan 8.360 nan 0.000 0.500 241 G N 1.212 109.981 108.800 -0.052 0.000 2.153 241 G HA2 -0.303 3.657 3.960 -0.001 0.000 0.252 241 G HA3 -0.303 3.657 3.960 -0.001 0.000 0.252 241 G C 0.776 175.668 174.900 -0.014 0.000 0.994 241 G CA 0.299 45.349 45.100 -0.083 0.000 0.698 241 G HN 0.312 nan 8.290 nan 0.000 0.521 242 L N -0.813 120.431 121.223 0.035 0.000 2.313 242 L HA 0.321 4.660 4.340 -0.001 0.000 0.214 242 L C 1.441 178.462 176.870 0.251 0.000 1.119 242 L CA 0.693 55.584 54.840 0.084 0.000 0.809 242 L CB -0.033 42.003 42.059 -0.039 0.000 0.933 242 L HN 0.306 nan 8.230 nan 0.000 0.449 243 I N -0.218 120.493 120.570 0.234 0.000 2.441 243 I HA 0.115 4.285 4.170 -0.001 0.000 0.295 243 I C -0.100 176.098 176.117 0.136 0.000 0.994 243 I CA -0.847 60.653 61.300 0.333 0.000 1.144 243 I CB 1.680 39.926 38.000 0.409 0.000 1.314 243 I HN -0.134 nan 8.210 nan 0.000 0.445 244 D N 6.101 126.610 120.400 0.182 0.000 2.570 244 D HA -0.083 4.557 4.640 -0.001 0.000 0.243 244 D C 1.098 177.425 176.300 0.045 0.000 1.171 244 D CA 0.725 54.765 54.000 0.067 0.000 0.879 244 D CB 0.822 41.640 40.800 0.030 0.000 1.143 244 D HN 0.435 nan 8.370 nan 0.000 0.511 245 K N 2.619 122.995 120.400 -0.041 0.000 2.160 245 K HA -0.157 4.163 4.320 -0.001 0.000 0.206 245 K C 0.659 177.381 176.600 0.204 0.000 1.047 245 K CA 1.008 57.294 56.287 -0.003 0.000 0.930 245 K CB 0.181 32.667 32.500 -0.024 0.000 0.720 245 K HN 0.496 nan 8.250 nan 0.000 0.450 246 E N 0.704 120.977 120.200 0.121 0.000 2.349 246 E HA -0.007 4.343 4.350 -0.001 0.000 0.201 246 E C 1.138 177.785 176.600 0.080 0.000 1.087 246 E CA -0.066 56.409 56.400 0.125 0.000 1.128 246 E CB 0.096 29.842 29.700 0.077 0.000 1.188 246 E HN 0.201 nan 8.360 nan 0.000 0.445 247 I N -0.081 120.511 120.570 0.036 0.000 2.264 247 I HA -0.266 3.904 4.170 -0.001 0.000 0.248 247 I C 1.340 177.348 176.117 -0.181 0.000 1.111 247 I CA 1.458 62.681 61.300 -0.128 0.000 1.382 247 I CB -0.132 37.718 38.000 -0.251 0.000 1.060 247 I HN -0.031 nan 8.210 nan 0.000 0.418 248 F N 0.022 120.050 119.950 0.129 0.000 2.661 248 F HA 0.014 4.540 4.527 -0.001 0.000 0.298 248 F C 2.296 178.170 175.800 0.124 0.000 1.137 248 F CA 1.193 59.272 58.000 0.132 0.000 1.454 248 F CB -0.909 38.165 39.000 0.124 0.000 1.103 248 F HN 0.271 nan 8.300 nan 0.000 0.577 249 T N -3.848 110.843 114.554 0.229 0.000 2.989 249 T HA 0.110 4.459 4.350 -0.001 0.000 0.250 249 T C 1.969 176.726 174.700 0.094 0.000 0.981 249 T CA -0.060 62.138 62.100 0.162 0.000 0.980 249 T CB -0.147 68.809 68.868 0.147 0.000 1.133 249 T HN 0.100 nan 8.240 nan 0.000 0.489 250 R N 1.951 122.485 120.500 0.058 0.000 2.097 250 R HA -0.115 4.224 4.340 -0.001 0.000 0.236 250 R C 0.603 176.903 176.300 0.001 0.000 1.135 250 R CA 1.835 57.943 56.100 0.012 0.000 0.934 250 R CB -0.344 29.939 30.300 -0.029 0.000 0.846 250 R HN 0.441 nan 8.270 nan 0.000 0.431 251 K N -2.886 117.512 120.400 -0.004 0.000 1.898 251 K HA -0.339 3.980 4.320 -0.001 0.000 0.256 251 K C 1.153 177.717 176.600 -0.060 0.000 1.652 251 K CA 0.875 57.157 56.287 -0.010 0.000 0.589 251 K CB -1.639 30.887 32.500 0.045 0.000 0.785 251 K HN 0.318 nan 8.250 nan 0.000 0.824 252 A N 0.812 123.610 122.820 -0.037 0.000 1.826 252 A HA -0.357 3.963 4.320 -0.001 0.000 0.267 252 A C 1.492 179.040 177.584 -0.060 0.000 2.510 252 A CA 3.104 55.115 52.037 -0.043 0.000 0.865 252 A CB -0.903 18.098 19.000 0.001 0.000 0.830 252 A HN 0.545 nan 8.150 nan 0.000 0.508 253 K N -0.103 120.270 120.400 -0.045 0.000 2.551 253 K HA 0.417 4.736 4.320 -0.001 0.000 0.204 253 K C 1.705 178.237 176.600 -0.114 0.000 1.033 253 K CA 0.367 56.624 56.287 -0.049 0.000 1.187 253 K CB -0.181 32.307 32.500 -0.020 0.000 0.900 253 K HN 0.553 nan 8.250 nan 0.000 0.499 254 A N 1.820 124.540 122.820 -0.167 0.000 1.917 254 A HA -0.233 4.086 4.320 -0.001 0.000 0.219 254 A C 2.122 179.453 177.584 -0.423 0.000 1.182 254 A CA 1.360 53.244 52.037 -0.255 0.000 0.633 254 A CB -0.219 18.618 19.000 -0.272 0.000 0.819 254 A HN 0.320 nan 8.150 nan 0.000 0.448 255 R N -0.699 119.510 120.500 -0.485 0.000 2.062 255 R HA -0.124 4.216 4.340 -0.001 0.000 0.231 255 R C 2.180 178.124 176.300 -0.593 0.000 1.136 255 R CA 1.639 57.245 56.100 -0.823 0.000 0.948 255 R CB -0.391 29.449 30.300 -0.766 0.000 0.845 255 R HN 0.571 nan 8.270 nan 0.000 0.430 256 E N 0.785 120.847 120.200 -0.230 0.000 2.085 256 E HA -0.211 4.139 4.350 -0.001 0.000 0.194 256 E C 2.108 178.671 176.600 -0.062 0.000 0.994 256 E CA 1.415 57.815 56.400 -0.000 0.000 0.801 256 E CB -0.029 29.735 29.700 0.107 0.000 0.743 256 E HN 0.343 nan 8.360 nan 0.000 0.453 257 Q N -0.607 119.130 119.800 -0.106 0.000 1.965 257 Q HA -0.100 4.240 4.340 -0.001 0.000 0.200 257 Q C 2.106 178.053 176.000 -0.088 0.000 0.981 257 Q CA 1.357 57.113 55.803 -0.079 0.000 0.834 257 Q CB -0.098 28.592 28.738 -0.080 0.000 0.900 257 Q HN 0.258 nan 8.270 nan 0.000 0.426 258 M N -0.628 118.861 119.600 -0.186 0.000 2.175 258 M HA -0.076 4.403 4.480 -0.001 0.000 0.264 258 M C 1.919 178.209 176.300 -0.016 0.000 1.063 258 M CA 1.538 56.742 55.300 -0.159 0.000 1.119 258 M CB -0.798 31.614 32.600 -0.314 0.000 1.377 258 M HN 0.214 nan 8.290 nan 0.000 0.415 259 F N -0.326 119.528 119.950 -0.160 0.000 2.219 259 F HA 0.047 4.574 4.527 -0.001 0.000 0.294 259 F C 2.537 178.239 175.800 -0.163 0.000 1.086 259 F CA 0.448 58.359 58.000 -0.149 0.000 1.330 259 F CB -0.620 38.156 39.000 -0.373 0.000 1.047 259 F HN 0.232 nan 8.300 nan 0.000 0.495 260 G N 0.056 108.872 108.800 0.027 0.000 2.422 260 G HA2 -0.204 3.755 3.960 -0.001 0.000 0.218 260 G HA3 -0.204 3.755 3.960 -0.001 0.000 0.218 260 G C 1.800 176.721 174.900 0.035 0.000 1.146 260 G CA 0.894 45.993 45.100 -0.002 0.000 0.769 260 G HN 0.462 nan 8.290 nan 0.000 0.547 261 G N -0.272 108.560 108.800 0.055 0.000 2.712 261 G HA2 0.055 4.015 3.960 -0.001 0.000 0.212 261 G HA3 0.055 4.015 3.960 -0.001 0.000 0.212 261 G C 0.754 175.734 174.900 0.132 0.000 1.142 261 G CA 0.671 45.815 45.100 0.073 0.000 0.789 261 G HN 0.615 nan 8.290 nan 0.000 0.535 262 N N -1.801 117.009 118.700 0.184 0.000 2.783 262 N HA -0.139 4.600 4.740 -0.001 0.000 0.247 262 N C 0.772 176.514 175.510 0.387 0.000 1.089 262 N CA 0.517 53.740 53.050 0.288 0.000 0.690 262 N CB -1.296 37.362 38.487 0.285 0.000 0.991 262 N HN 0.189 nan 8.380 nan 0.000 0.552 263 L N -1.068 120.339 121.223 0.306 0.000 2.445 263 L HA 0.483 4.823 4.340 -0.001 0.000 0.207 263 L C 1.870 178.993 176.870 0.421 0.000 1.053 263 L CA 1.430 56.466 54.840 0.326 0.000 0.841 263 L CB -0.701 41.454 42.059 0.159 0.000 1.074 263 L HN 0.355 nan 8.230 nan 0.000 0.479 264 G N -1.438 107.516 108.800 0.257 0.000 2.451 264 G HA2 0.467 4.426 3.960 -0.001 0.000 0.303 264 G HA3 0.467 4.426 3.960 -0.001 0.000 0.303 264 G C 0.348 175.294 174.900 0.076 0.000 1.166 264 G CA 0.165 45.406 45.100 0.236 0.000 0.884 264 G HN 0.240 nan 8.290 nan 0.000 0.514 265 G N -1.164 107.769 108.800 0.223 0.000 4.385 265 G HA2 0.440 4.400 3.960 -0.001 0.000 0.283 265 G HA3 0.440 4.400 3.960 -0.001 0.000 0.283 265 G C -0.622 174.612 174.900 0.557 0.000 1.020 265 G CA -0.229 44.871 45.100 0.001 0.000 0.790 265 G HN 0.605 nan 8.290 nan 0.000 0.420 266 F N 0.542 120.728 119.950 0.392 0.000 2.669 266 F HA 0.584 5.110 4.527 -0.001 0.000 0.315 266 F C -1.214 174.821 175.800 0.391 0.000 1.109 266 F CA -0.470 57.795 58.000 0.442 0.000 1.028 266 F CB 1.898 41.197 39.000 0.499 0.000 1.287 266 F HN 0.066 nan 8.300 nan 0.000 0.452 267 T N 2.489 116.951 114.554 -0.153 0.000 2.749 267 T HA 0.332 4.681 4.350 -0.001 0.000 0.310 267 T C -2.452 172.266 174.700 0.030 0.000 1.496 267 T CA -0.496 61.503 62.100 -0.168 0.000 1.006 267 T CB 1.369 70.195 68.868 -0.069 0.000 1.457 267 T HN 0.773 nan 8.240 nan 0.000 0.497 268 H N 1.846 120.928 119.070 0.019 0.000 2.860 268 H HA 0.721 5.277 4.556 -0.001 0.000 0.312 268 H C -0.887 174.475 175.328 0.057 0.000 0.995 268 H CA -0.252 55.785 56.048 -0.020 0.000 1.311 268 H CB 0.748 30.496 29.762 -0.024 0.000 1.478 268 H HN 0.530 nan 8.280 nan 0.000 0.508 269 D N 2.712 123.037 120.400 -0.124 0.000 2.759 269 D HA 0.093 4.732 4.640 -0.001 0.000 0.321 269 D C -0.751 175.496 176.300 -0.089 0.000 1.267 269 D CA -0.636 53.348 54.000 -0.026 0.000 0.933 269 D CB 1.109 41.945 40.800 0.060 0.000 1.431 269 D HN 0.320 nan 8.370 nan 0.000 0.504 270 W N 1.104 122.406 121.300 0.003 0.000 2.181 270 W HA 0.213 4.872 4.660 -0.001 0.000 0.335 270 W C 1.456 178.002 176.519 0.045 0.000 1.310 270 W CA -0.293 57.101 57.345 0.081 0.000 1.226 270 W CB -0.030 29.519 29.460 0.149 0.000 1.155 270 W HN 0.344 nan 8.180 nan 0.000 0.565 271 F N 2.245 122.399 119.950 0.340 0.000 2.026 271 F HA -0.297 4.229 4.527 -0.001 0.000 0.296 271 F C 2.407 178.324 175.800 0.195 0.000 1.133 271 F CA 2.284 60.487 58.000 0.337 0.000 1.188 271 F CB -1.306 37.846 39.000 0.252 0.000 0.968 271 F HN 0.506 nan 8.300 nan 0.000 0.476 272 A N 0.368 123.436 122.820 0.412 0.000 1.859 272 A HA -0.309 4.010 4.320 -0.001 0.000 0.218 272 A C 2.363 180.065 177.584 0.198 0.000 1.209 272 A CA 3.148 55.348 52.037 0.271 0.000 0.639 272 A CB -1.533 17.629 19.000 0.270 0.000 0.835 272 A HN 0.459 nan 8.150 nan 0.000 0.450 273 S N -1.426 114.398 115.700 0.206 0.000 2.382 273 S HA -0.137 4.333 4.470 -0.001 0.000 0.228 273 S C 1.813 176.492 174.600 0.132 0.000 1.027 273 S CA 1.941 60.219 58.200 0.131 0.000 0.991 273 S CB -1.194 62.092 63.200 0.143 0.000 0.823 273 S HN 0.531 nan 8.310 nan 0.000 0.469 274 T N 2.565 117.162 114.554 0.072 0.000 2.821 274 T HA 0.121 4.471 4.350 -0.001 0.000 0.267 274 T C 1.789 176.495 174.700 0.010 0.000 1.046 274 T CA 1.300 63.397 62.100 -0.005 0.000 1.139 274 T CB -0.302 68.192 68.868 -0.623 0.000 0.871 274 T HN 0.275 nan 8.240 nan 0.000 0.454 275 M N 1.977 121.535 119.600 -0.070 0.000 2.374 275 M HA -0.022 4.457 4.480 -0.001 0.000 0.264 275 M C 2.582 178.926 176.300 0.073 0.000 1.067 275 M CA 1.174 56.498 55.300 0.039 0.000 1.103 275 M CB -1.667 31.009 32.600 0.126 0.000 1.402 275 M HN 0.446 nan 8.290 nan 0.000 0.444 276 T N -2.351 112.211 114.554 0.014 0.000 3.007 276 T HA -0.093 4.256 4.350 -0.001 0.000 0.270 276 T C 1.529 176.126 174.700 -0.172 0.000 1.107 276 T CA 0.729 62.772 62.100 -0.094 0.000 1.118 276 T CB -0.750 68.005 68.868 -0.188 0.000 0.889 276 T HN 0.179 nan 8.240 nan 0.000 0.506 277 F N 2.196 122.119 119.950 -0.045 0.000 2.451 277 F HA 0.127 4.654 4.527 -0.000 0.000 0.299 277 F C 2.249 177.971 175.800 -0.129 0.000 1.101 277 F CA 0.240 58.164 58.000 -0.127 0.000 1.436 277 F CB -0.570 38.342 39.000 -0.147 0.000 1.074 277 F HN 0.157 nan 8.300 nan 0.000 0.553 278 N N 0.149 118.959 118.700 0.183 0.000 2.244 278 N HA -0.175 4.565 4.740 -0.001 0.000 0.183 278 N C 1.905 177.475 175.510 0.100 0.000 1.016 278 N CA 1.170 54.354 53.050 0.223 0.000 0.866 278 N CB -0.239 38.354 38.487 0.176 0.000 0.980 278 N HN 0.445 nan 8.380 nan 0.000 0.430 279 E N -0.136 120.080 120.200 0.027 0.000 2.075 279 E HA 0.031 4.380 4.350 -0.001 0.000 0.190 279 E C 1.796 178.367 176.600 -0.048 0.000 0.969 279 E CA 0.546 56.943 56.400 -0.005 0.000 0.815 279 E CB -0.218 29.472 29.700 -0.017 0.000 0.776 279 E HN 0.253 nan 8.360 nan 0.000 0.457 280 G N 0.342 109.078 108.800 -0.106 0.000 2.625 280 G HA2 -0.117 3.842 3.960 -0.001 0.000 0.214 280 G HA3 -0.117 3.842 3.960 -0.001 0.000 0.214 280 G C 1.102 175.936 174.900 -0.109 0.000 1.132 280 G CA 0.372 45.393 45.100 -0.132 0.000 0.782 280 G HN 0.185 nan 8.290 nan 0.000 0.538 281 L N -0.162 120.986 121.223 -0.126 0.000 2.858 281 L HA 0.469 4.809 4.340 -0.001 0.000 0.251 281 L C 2.541 179.368 176.870 -0.071 0.000 1.149 281 L CA 0.357 55.093 54.840 -0.173 0.000 0.955 281 L CB 0.291 42.043 42.059 -0.511 0.000 1.289 281 L HN 0.127 nan 8.230 nan 0.000 0.542 282 A N 0.823 123.635 122.820 -0.013 0.000 1.948 282 A HA -0.275 4.045 4.320 -0.001 0.000 0.220 282 A C 2.248 179.848 177.584 0.026 0.000 1.177 282 A CA 2.285 54.343 52.037 0.035 0.000 0.636 282 A CB -0.317 18.702 19.000 0.031 0.000 0.815 282 A HN 0.560 nan 8.150 nan 0.000 0.449 283 K N -1.497 118.905 120.400 0.003 0.000 1.974 283 K HA -0.096 4.224 4.320 -0.001 0.000 0.211 283 K C 2.131 178.737 176.600 0.010 0.000 1.039 283 K CA 1.697 57.987 56.287 0.005 0.000 0.947 283 K CB -1.229 31.268 32.500 -0.006 0.000 0.735 283 K HN 0.204 nan 8.250 nan 0.000 0.441 284 T N 0.306 114.858 114.554 -0.003 0.000 2.759 284 T HA -0.068 4.282 4.350 -0.001 0.000 0.269 284 T C 0.629 175.343 174.700 0.024 0.000 1.042 284 T CA 1.092 63.194 62.100 0.004 0.000 1.140 284 T CB -0.182 68.679 68.868 -0.012 0.000 0.864 284 T HN 0.102 nan 8.240 nan 0.000 0.455 285 V N 3.436 123.366 119.914 0.027 0.000 2.315 285 V HA 0.381 4.501 4.120 -0.001 0.000 0.265 285 V C -2.577 173.595 176.094 0.130 0.000 1.019 285 V CA -1.982 60.373 62.300 0.092 0.000 0.824 285 V CB 0.843 32.741 31.823 0.126 0.000 1.072 285 V HN 0.236 nan 8.190 nan 0.000 0.448 286 P HA 0.127 nan 4.420 nan 0.000 0.261 286 P C 1.198 178.565 177.300 0.111 0.000 1.173 286 P CA 1.770 64.925 63.100 0.091 0.000 0.760 286 P CB 0.519 32.259 31.700 0.067 0.000 0.783 287 G N 2.683 111.544 108.800 0.102 0.000 2.179 287 G HA2 -0.311 3.648 3.960 -0.001 0.000 0.260 287 G HA3 -0.311 3.648 3.960 -0.001 0.000 0.260 287 G C 0.139 175.085 174.900 0.076 0.000 0.977 287 G CA -0.364 44.785 45.100 0.082 0.000 0.641 287 G HN 0.564 nan 8.290 nan 0.000 0.533 288 F N 1.973 121.903 119.950 -0.033 0.000 2.602 288 F HA 0.508 5.034 4.527 -0.001 0.000 0.385 288 F C 0.546 176.283 175.800 -0.105 0.000 1.063 288 F CA 0.555 58.493 58.000 -0.103 0.000 1.233 288 F CB 0.529 39.466 39.000 -0.106 0.000 1.067 288 F HN 0.165 nan 8.300 nan 0.000 0.564 289 K N 8.119 128.144 120.400 -0.624 0.000 2.651 289 K HA 0.334 4.653 4.320 -0.001 0.000 0.259 289 K C -2.000 174.324 176.600 -0.461 0.000 1.017 289 K CA -0.601 55.487 56.287 -0.333 0.000 0.897 289 K CB 0.863 33.296 32.500 -0.111 0.000 1.262 289 K HN 0.731 nan 8.250 nan 0.000 0.460 290 L N 6.365 127.389 121.223 -0.332 0.000 2.292 290 L HA 0.553 4.893 4.340 -0.001 0.000 0.284 290 L C 0.137 177.049 176.870 0.070 0.000 1.065 290 L CA -0.929 53.795 54.840 -0.192 0.000 0.806 290 L CB 1.040 43.001 42.059 -0.163 0.000 1.175 290 L HN 0.572 nan 8.230 nan 0.000 0.431 291 I N 1.516 122.170 120.570 0.139 0.000 2.646 291 I HA 0.650 4.820 4.170 -0.001 0.000 0.299 291 I C -2.640 173.607 176.117 0.217 0.000 1.036 291 I CA -2.462 58.954 61.300 0.193 0.000 1.074 291 I CB 2.314 40.388 38.000 0.123 0.000 1.258 291 I HN 0.290 nan 8.210 nan 0.000 0.430 292 P HA 0.406 nan 4.420 nan 0.000 0.282 292 P C -0.925 176.424 177.300 0.082 0.000 1.249 292 P CA -0.172 62.826 63.100 -0.169 0.000 0.806 292 P CB 1.646 33.309 31.700 -0.061 0.000 0.984 293 I N -1.408 119.245 120.570 0.138 0.000 2.828 293 I HA 0.778 4.948 4.170 -0.001 0.000 0.302 293 I C -0.390 175.910 176.117 0.306 0.000 1.101 293 I CA -1.700 59.730 61.300 0.218 0.000 1.031 293 I CB 2.277 40.383 38.000 0.178 0.000 1.231 293 I HN 0.231 nan 8.210 nan 0.000 0.427 294 A N 4.854 127.758 122.820 0.140 0.000 2.425 294 A HA 0.498 4.818 4.320 -0.001 0.000 0.242 294 A C -2.323 175.143 177.584 -0.196 0.000 1.077 294 A CA -1.155 50.766 52.037 -0.194 0.000 0.781 294 A CB -0.689 18.122 19.000 -0.316 0.000 1.020 294 A HN 0.650 nan 8.150 nan 0.000 0.494 295 P HA 0.172 nan 4.420 nan 0.000 0.267 295 P C -2.653 174.529 177.300 -0.196 0.000 1.209 295 P CA -0.949 62.062 63.100 -0.148 0.000 0.763 295 P CB -0.229 31.446 31.700 -0.041 0.000 0.816 296 P HA 0.001 nan 4.420 nan 0.000 0.265 296 P C 0.045 177.289 177.300 -0.094 0.000 1.193 296 P CA 0.632 63.658 63.100 -0.123 0.000 0.765 296 P CB -0.050 31.510 31.700 -0.232 0.000 0.823 297 T N 3.352 117.821 114.554 -0.141 0.000 2.866 297 T HA 0.019 4.369 4.350 -0.001 0.000 0.293 297 T C 0.744 175.325 174.700 -0.199 0.000 1.005 297 T CA 0.080 62.086 62.100 -0.157 0.000 1.162 297 T CB -0.572 68.216 68.868 -0.133 0.000 0.968 297 T HN 0.491 nan 8.240 nan 0.000 0.530 298 N N 1.612 120.143 118.700 -0.281 0.000 2.379 298 N HA 0.118 4.857 4.740 -0.001 0.000 0.260 298 N C 1.437 176.726 175.510 -0.367 0.000 1.254 298 N CA -0.191 52.628 53.050 -0.385 0.000 0.958 298 N CB 0.206 38.334 38.487 -0.597 0.000 1.208 298 N HN 0.418 nan 8.380 nan 0.000 0.532 299 S N -0.942 114.516 115.700 -0.404 0.000 2.420 299 S HA -0.180 4.290 4.470 -0.001 0.000 0.237 299 S C 1.232 175.710 174.600 -0.204 0.000 1.023 299 S CA 0.967 59.016 58.200 -0.252 0.000 0.991 299 S CB -0.332 62.779 63.200 -0.148 0.000 0.792 299 S HN 0.545 nan 8.310 nan 0.000 0.488 300 K N 1.067 121.301 120.400 -0.277 0.000 2.487 300 K HA 0.333 4.652 4.320 -0.001 0.000 0.192 300 K C 1.220 177.709 176.600 -0.185 0.000 1.027 300 K CA 0.498 56.652 56.287 -0.222 0.000 1.054 300 K CB -0.430 31.898 32.500 -0.287 0.000 0.824 300 K HN 0.605 nan 8.250 nan 0.000 0.510 301 G N 1.155 109.834 108.800 -0.201 0.000 2.132 301 G HA2 -0.251 3.709 3.960 -0.001 0.000 0.228 301 G HA3 -0.251 3.709 3.960 -0.001 0.000 0.228 301 G C -0.448 174.376 174.900 -0.127 0.000 1.000 301 G CA 0.333 45.349 45.100 -0.139 0.000 0.693 301 G HN 0.392 nan 8.290 nan 0.000 0.515 302 Q N -1.131 118.543 119.800 -0.210 0.000 2.416 302 Q HA 0.717 5.057 4.340 -0.001 0.000 0.281 302 Q C -0.615 175.295 176.000 -0.151 0.000 1.067 302 Q CA -1.277 54.453 55.803 -0.122 0.000 0.809 302 Q CB 1.635 30.366 28.738 -0.011 0.000 1.418 302 Q HN 0.258 nan 8.270 nan 0.000 0.411 303 R N 1.046 121.564 120.500 0.031 0.000 2.202 303 R HA 0.330 4.670 4.340 -0.001 0.000 0.334 303 R C -1.275 175.190 176.300 0.275 0.000 1.036 303 R CA -0.226 55.876 56.100 0.003 0.000 0.878 303 R CB 0.647 30.860 30.300 -0.145 0.000 1.067 303 R HN 0.493 nan 8.270 nan 0.000 0.457 304 W N 1.816 123.039 121.300 -0.129 0.000 2.532 304 W HA 0.235 4.894 4.660 -0.001 0.000 0.321 304 W C -0.047 176.457 176.519 -0.025 0.000 1.037 304 W CA -0.889 56.409 57.345 -0.078 0.000 1.220 304 W CB 1.533 30.909 29.460 -0.141 0.000 1.361 304 W HN 0.371 nan 8.180 nan 0.000 0.468 305 E N 2.182 122.508 120.200 0.209 0.000 2.437 305 E HA 0.102 4.452 4.350 -0.001 0.000 0.238 305 E C 0.675 177.334 176.600 0.098 0.000 0.969 305 E CA -0.108 56.427 56.400 0.225 0.000 0.759 305 E CB 0.775 30.671 29.700 0.327 0.000 1.283 305 E HN 0.577 nan 8.360 nan 0.000 0.416 306 E N 2.705 122.937 120.200 0.053 0.000 2.150 306 E HA -0.122 4.228 4.350 -0.001 0.000 0.193 306 E C -0.134 176.477 176.600 0.019 0.000 0.985 306 E CA 0.476 56.856 56.400 -0.032 0.000 0.814 306 E CB 0.277 29.964 29.700 -0.021 0.000 0.752 306 E HN 0.456 nan 8.360 nan 0.000 0.466 307 D N 0.422 120.871 120.400 0.081 0.000 2.304 307 D HA 0.126 4.766 4.640 -0.001 0.000 0.250 307 D C -0.972 175.326 176.300 -0.004 0.000 1.107 307 D CA 0.027 54.045 54.000 0.029 0.000 0.885 307 D CB 1.141 41.943 40.800 0.003 0.000 1.192 307 D HN 0.117 nan 8.370 nan 0.000 0.436 308 S N 2.147 117.835 115.700 -0.020 0.000 2.596 308 S HA 0.580 5.050 4.470 -0.001 0.000 0.270 308 S C -0.534 174.077 174.600 0.019 0.000 1.155 308 S CA -1.158 57.038 58.200 -0.005 0.000 0.827 308 S CB 1.288 64.502 63.200 0.024 0.000 1.130 308 S HN 0.419 nan 8.310 nan 0.000 0.467 309 R N 0.789 121.322 120.500 0.055 0.000 2.490 309 R HA 0.346 4.685 4.340 -0.001 0.000 0.278 309 R C -0.051 176.307 176.300 0.095 0.000 1.069 309 R CA -0.470 55.705 56.100 0.124 0.000 1.080 309 R CB 0.440 30.841 30.300 0.168 0.000 1.030 309 R HN 0.641 nan 8.270 nan 0.000 0.491 310 Q N 1.410 121.265 119.800 0.093 0.000 2.373 310 Q HA 0.008 4.348 4.340 -0.001 0.000 0.255 310 Q C 0.579 176.622 176.000 0.071 0.000 0.980 310 Q CA 0.332 56.175 55.803 0.067 0.000 0.882 310 Q CB 0.940 29.705 28.738 0.046 0.000 1.249 310 Q HN 0.398 nan 8.270 nan 0.000 0.438 311 K N 0.226 120.673 120.400 0.078 0.000 2.365 311 K HA 0.080 4.399 4.320 -0.001 0.000 0.197 311 K C -0.324 176.335 176.600 0.097 0.000 1.042 311 K CA 0.348 56.696 56.287 0.102 0.000 0.987 311 K CB 0.571 33.140 32.500 0.115 0.000 0.779 311 K HN 0.272 nan 8.250 nan 0.000 0.484 312 V N 0.984 120.939 119.914 0.069 0.000 2.932 312 V HA 0.319 4.439 4.120 -0.001 0.000 0.307 312 V C -0.727 175.384 176.094 0.029 0.000 1.147 312 V CA -1.191 61.149 62.300 0.067 0.000 0.951 312 V CB 2.191 34.078 31.823 0.107 0.000 1.031 312 V HN 0.038 nan 8.190 nan 0.000 0.426 313 R N 3.586 124.082 120.500 -0.007 0.000 2.598 313 R HA 0.462 4.801 4.340 -0.001 0.000 0.279 313 R C -2.229 174.134 176.300 0.106 0.000 0.984 313 R CA -1.886 54.186 56.100 -0.047 0.000 0.999 313 R CB 1.969 32.080 30.300 -0.316 0.000 1.114 313 R HN 0.473 nan 8.270 nan 0.000 0.493 314 P HA 0.046 nan 4.420 nan 0.000 0.258 314 P C -1.018 176.334 177.300 0.087 0.000 1.559 314 P CA 0.318 63.481 63.100 0.106 0.000 0.855 314 P CB 0.225 31.943 31.700 0.031 0.000 1.594 315 D N -0.420 120.099 120.400 0.198 0.000 2.414 315 D HA 0.679 5.318 4.640 -0.001 0.000 0.241 315 D C 0.920 177.465 176.300 0.408 0.000 1.008 315 D CA -0.237 53.905 54.000 0.236 0.000 1.001 315 D CB 2.258 43.209 40.800 0.251 0.000 1.277 315 D HN 0.152 nan 8.370 nan 0.000 0.538 316 G N -0.799 108.219 108.800 0.363 0.000 2.339 316 G HA2 0.324 4.283 3.960 -0.001 0.000 0.275 316 G HA3 0.324 4.283 3.960 -0.001 0.000 0.275 316 G C -2.201 172.909 174.900 0.349 0.000 1.323 316 G CA -0.618 44.663 45.100 0.300 0.000 0.927 316 G HN 0.449 nan 8.290 nan 0.000 0.486 317 W N -0.777 120.541 121.300 0.031 0.000 3.083 317 W HA 0.982 5.642 4.660 -0.001 0.000 0.333 317 W C -0.206 176.103 176.519 -0.351 0.000 1.217 317 W CA -2.129 55.145 57.345 -0.119 0.000 1.170 317 W CB 0.933 30.327 29.460 -0.110 0.000 1.437 317 W HN 1.700 nan 8.180 nan 0.000 0.557 318 A N 1.577 124.360 122.820 -0.062 0.000 2.485 318 A HA 0.891 5.210 4.320 -0.001 0.000 0.292 318 A C -1.556 176.173 177.584 0.242 0.000 1.147 318 A CA -1.126 50.852 52.037 -0.098 0.000 0.750 318 A CB 1.383 19.886 19.000 -0.829 0.000 1.331 318 A HN 0.651 nan 8.150 nan 0.000 0.419 319 I N 1.811 122.546 120.570 0.274 0.000 2.339 319 I HA 0.319 4.488 4.170 -0.001 0.000 0.290 319 I C 0.825 177.152 176.117 0.349 0.000 0.994 319 I CA -0.404 61.026 61.300 0.218 0.000 1.191 319 I CB 1.863 39.900 38.000 0.061 0.000 1.343 319 I HN 0.812 nan 8.210 nan 0.000 0.458 320 T N 2.110 116.843 114.554 0.299 0.000 2.868 320 T HA 0.085 4.435 4.350 -0.001 0.000 0.292 320 T C 1.075 175.839 174.700 0.106 0.000 1.028 320 T CA -0.619 61.617 62.100 0.227 0.000 1.059 320 T CB 1.928 70.859 68.868 0.105 0.000 0.991 320 T HN 0.370 nan 8.240 nan 0.000 0.531 321 V N 1.082 121.024 119.914 0.046 0.000 2.867 321 V HA -0.020 4.099 4.120 -0.001 0.000 0.260 321 V C 2.293 178.388 176.094 0.000 0.000 1.099 321 V CA 1.684 64.001 62.300 0.028 0.000 1.122 321 V CB -0.891 30.933 31.823 0.002 0.000 0.708 321 V HN 0.971 nan 8.190 nan 0.000 0.490 322 K N 0.332 120.724 120.400 -0.014 0.000 2.444 322 K HA 0.035 4.354 4.320 -0.001 0.000 0.193 322 K C 0.786 177.368 176.600 -0.030 0.000 1.024 322 K CA -0.194 56.077 56.287 -0.027 0.000 1.077 322 K CB -0.083 32.393 32.500 -0.040 0.000 0.833 322 K HN 0.436 nan 8.250 nan 0.000 0.517 323 N N 2.507 121.193 118.700 -0.022 0.000 2.416 323 N HA -0.064 4.676 4.740 -0.001 0.000 0.265 323 N C 0.728 176.202 175.510 -0.060 0.000 1.195 323 N CA 0.300 53.320 53.050 -0.050 0.000 0.943 323 N CB 0.977 39.430 38.487 -0.057 0.000 1.115 323 N HN 0.093 nan 8.380 nan 0.000 0.481 324 K N 2.938 123.297 120.400 -0.069 0.000 2.525 324 K HA -0.024 4.296 4.320 -0.001 0.000 0.192 324 K C -0.661 175.888 176.600 -0.086 0.000 1.029 324 K CA 0.622 56.869 56.287 -0.067 0.000 1.029 324 K CB -0.082 32.381 32.500 -0.062 0.000 0.814 324 K HN 0.385 nan 8.250 nan 0.000 0.503 325 N N 2.337 120.970 118.700 -0.112 0.000 2.757 325 N HA 0.166 4.906 4.740 -0.001 0.000 0.296 325 N C -2.243 173.164 175.510 -0.171 0.000 1.874 325 N CA -1.393 51.572 53.050 -0.141 0.000 0.885 325 N CB 1.719 40.112 38.487 -0.156 0.000 1.242 325 N HN 0.028 nan 8.380 nan 0.000 0.488 326 P HA -0.175 nan 4.420 nan 0.000 0.217 326 P C 1.545 178.720 177.300 -0.208 0.000 1.150 326 P CA 1.113 64.119 63.100 -0.156 0.000 0.832 326 P CB 0.285 31.934 31.700 -0.085 0.000 0.787 327 V N -1.421 118.337 119.914 -0.261 0.000 2.453 327 V HA -0.121 3.999 4.120 -0.001 0.000 0.247 327 V C 2.192 178.093 176.094 -0.321 0.000 1.048 327 V CA 1.688 63.735 62.300 -0.422 0.000 1.049 327 V CB -1.530 29.816 31.823 -0.796 0.000 0.672 327 V HN -0.103 nan 8.190 nan 0.000 0.457 328 E N 1.162 121.212 120.200 -0.250 0.000 2.072 328 E HA -0.092 4.258 4.350 -0.001 0.000 0.191 328 E C 2.337 178.837 176.600 -0.167 0.000 0.985 328 E CA 2.100 58.393 56.400 -0.177 0.000 0.801 328 E CB -0.770 28.827 29.700 -0.171 0.000 0.750 328 E HN 0.690 nan 8.360 nan 0.000 0.452 329 T N 0.806 115.197 114.554 -0.272 0.000 2.720 329 T HA -0.161 4.189 4.350 -0.001 0.000 0.268 329 T C 1.851 176.229 174.700 -0.537 0.000 1.037 329 T CA 1.094 62.931 62.100 -0.438 0.000 1.144 329 T CB -0.271 68.259 68.868 -0.564 0.000 0.864 329 T HN 0.056 nan 8.240 nan 0.000 0.444 330 I N 0.923 121.266 120.570 -0.378 0.000 2.315 330 I HA -0.064 4.106 4.170 -0.001 0.000 0.248 330 I C 2.129 178.277 176.117 0.053 0.000 1.117 330 I CA 1.435 62.616 61.300 -0.198 0.000 1.404 330 I CB -0.194 37.779 38.000 -0.045 0.000 1.071 330 I HN 0.082 nan 8.210 nan 0.000 0.419 331 K N -0.665 119.770 120.400 0.059 0.000 2.097 331 K HA -0.201 4.118 4.320 -0.001 0.000 0.205 331 K C 2.178 178.942 176.600 0.274 0.000 1.050 331 K CA 1.767 58.156 56.287 0.171 0.000 0.938 331 K CB -0.408 32.160 32.500 0.113 0.000 0.718 331 K HN 0.333 nan 8.250 nan 0.000 0.442 332 F N 0.970 120.972 119.950 0.087 0.000 2.102 332 F HA -0.194 4.333 4.527 -0.001 0.000 0.298 332 F C 1.810 177.948 175.800 0.563 0.000 1.105 332 F CA 1.433 59.560 58.000 0.211 0.000 1.239 332 F CB -0.233 38.800 39.000 0.055 0.000 0.991 332 F HN -0.052 nan 8.300 nan 0.000 0.474 333 F N 0.503 120.622 119.950 0.282 0.000 2.126 333 F HA -0.284 4.243 4.527 -0.001 0.000 0.299 333 F C 2.330 178.395 175.800 0.441 0.000 1.096 333 F CA 1.077 59.296 58.000 0.364 0.000 1.255 333 F CB -0.575 38.562 39.000 0.229 0.000 0.997 333 F HN 0.095 nan 8.300 nan 0.000 0.479 334 D N 0.294 121.000 120.400 0.511 0.000 2.178 334 D HA -0.257 4.382 4.640 -0.001 0.000 0.201 334 D C 1.915 178.452 176.300 0.395 0.000 0.980 334 D CA 0.808 55.054 54.000 0.410 0.000 0.842 334 D CB -0.331 40.678 40.800 0.348 0.000 0.948 334 D HN 0.223 nan 8.370 nan 0.000 0.472 335 F N 0.064 120.099 119.950 0.142 0.000 2.161 335 F HA -0.207 4.320 4.527 -0.001 0.000 0.300 335 F C 1.278 176.978 175.800 -0.167 0.000 1.089 335 F CA 1.288 59.230 58.000 -0.097 0.000 1.282 335 F CB -0.622 38.212 39.000 -0.275 0.000 1.010 335 F HN 0.029 nan 8.300 nan 0.000 0.485 336 Y N -1.579 118.742 120.300 0.036 0.000 2.632 336 Y HA -0.057 4.493 4.550 -0.000 0.000 0.301 336 Y C 1.157 176.971 175.900 -0.143 0.000 1.172 336 Y CA 0.704 58.743 58.100 -0.102 0.000 1.328 336 Y CB -0.619 37.908 38.460 0.112 0.000 1.016 336 Y HN 0.056 nan 8.280 nan 0.000 0.529 337 F N -1.449 118.505 119.950 0.007 0.000 2.682 337 F HA 0.175 4.702 4.527 -0.000 0.000 0.308 337 F C 1.053 176.857 175.800 0.007 0.000 1.093 337 F CA -0.645 57.403 58.000 0.078 0.000 1.244 337 F CB 0.035 39.067 39.000 0.052 0.000 1.052 337 F HN -0.218 nan 8.300 nan 0.000 0.573 338 S N -0.738 114.834 115.700 -0.212 0.000 2.654 338 S HA 0.398 4.868 4.470 -0.001 0.000 0.283 338 S C 1.293 175.696 174.600 -0.328 0.000 1.180 338 S CA -0.692 57.214 58.200 -0.489 0.000 1.021 338 S CB 2.071 64.777 63.200 -0.823 0.000 1.018 338 S HN 0.120 nan 8.310 nan 0.000 0.532 339 R N 2.099 122.467 120.500 -0.220 0.000 2.083 339 R HA 0.020 4.360 4.340 -0.001 0.000 0.237 339 R C -0.859 175.301 176.300 -0.233 0.000 1.137 339 R CA 1.851 57.834 56.100 -0.195 0.000 0.951 339 R CB -2.090 28.141 30.300 -0.116 0.000 0.851 339 R HN 0.683 nan 8.270 nan 0.000 0.434 340 P HA -0.067 nan 4.420 nan 0.000 0.216 340 P C 1.220 178.269 177.300 -0.418 0.000 1.150 340 P CA 2.011 65.008 63.100 -0.172 0.000 0.837 340 P CB -0.421 31.287 31.700 0.012 0.000 0.786 341 G N 0.351 108.549 108.800 -1.004 0.000 2.394 341 G HA2 -0.189 3.770 3.960 -0.001 0.000 0.215 341 G HA3 -0.189 3.770 3.960 -0.001 0.000 0.215 341 G C 1.824 176.366 174.900 -0.597 0.000 1.165 341 G CA 0.239 44.412 45.100 -1.545 0.000 0.784 341 G HN 0.212 nan 8.290 nan 0.000 0.535 342 R N 0.255 120.513 120.500 -0.403 0.000 2.120 342 R HA -0.045 4.295 4.340 -0.001 0.000 0.234 342 R C 2.079 178.299 176.300 -0.134 0.000 1.123 342 R CA 1.255 57.224 56.100 -0.217 0.000 0.975 342 R CB -0.200 29.941 30.300 -0.266 0.000 0.866 342 R HN 0.234 nan 8.270 nan 0.000 0.446 343 D N 0.863 121.171 120.400 -0.153 0.000 2.078 343 D HA -0.158 4.482 4.640 -0.001 0.000 0.193 343 D C 1.897 178.154 176.300 -0.072 0.000 0.990 343 D CA 1.466 55.401 54.000 -0.110 0.000 0.827 343 D CB -0.219 40.492 40.800 -0.149 0.000 0.975 343 D HN 0.329 nan 8.370 nan 0.000 0.451 344 I N -0.477 120.080 120.570 -0.021 0.000 2.439 344 I HA -0.147 4.022 4.170 -0.001 0.000 0.251 344 I C 1.966 178.068 176.117 -0.024 0.000 1.139 344 I CA 1.396 62.736 61.300 0.067 0.000 1.438 344 I CB -0.409 37.691 38.000 0.167 0.000 1.085 344 I HN -0.116 nan 8.210 nan 0.000 0.427 345 S N 0.464 116.121 115.700 -0.072 0.000 2.489 345 S HA 0.038 4.508 4.470 -0.001 0.000 0.228 345 S C 1.596 175.961 174.600 -0.393 0.000 0.995 345 S CA 0.556 58.609 58.200 -0.245 0.000 0.934 345 S CB -0.508 62.574 63.200 -0.197 0.000 0.771 345 S HN 0.567 nan 8.310 nan 0.000 0.522 346 N N -0.100 118.425 118.700 -0.291 0.000 2.463 346 N HA 0.276 5.016 4.740 -0.001 0.000 0.183 346 N C 0.397 175.492 175.510 -0.692 0.000 1.064 346 N CA 0.681 53.398 53.050 -0.555 0.000 0.879 346 N CB 0.100 38.219 38.487 -0.614 0.000 1.148 346 N HN 0.451 nan 8.380 nan 0.000 0.451 347 F N 0.206 119.954 119.950 -0.337 0.000 2.727 347 F HA 0.354 4.881 4.527 -0.000 0.000 0.302 347 F C 1.669 177.477 175.800 0.014 0.000 1.107 347 F CA 0.347 58.154 58.000 -0.323 0.000 1.277 347 F CB 0.669 39.001 39.000 -1.113 0.000 1.079 347 F HN 0.034 nan 8.300 nan 0.000 0.594 348 G N 0.411 109.296 108.800 0.142 0.000 2.715 348 G HA2 -0.116 3.844 3.960 -0.001 0.000 0.221 348 G HA3 -0.116 3.844 3.960 -0.001 0.000 0.221 348 G C -1.164 173.951 174.900 0.359 0.000 1.204 348 G CA -0.469 44.755 45.100 0.206 0.000 1.063 348 G HN 0.012 nan 8.290 nan 0.000 0.586 349 V N 3.388 123.505 119.914 0.338 0.000 2.540 349 V HA 0.613 4.732 4.120 -0.001 0.000 0.302 349 V C -1.931 174.089 176.094 -0.123 0.000 1.035 349 V CA -1.029 61.380 62.300 0.181 0.000 0.873 349 V CB 2.036 33.909 31.823 0.083 0.000 0.992 349 V HN 0.712 nan 8.190 nan 0.000 0.428 350 P HA 0.159 nan 4.420 nan 0.000 0.268 350 P C 0.911 177.993 177.300 -0.362 0.000 1.205 350 P CA 1.324 63.918 63.100 -0.843 0.000 0.771 350 P CB 1.058 32.382 31.700 -0.626 0.000 0.858 351 G N 1.351 109.965 108.800 -0.311 0.000 2.225 351 G HA2 -0.274 3.686 3.960 -0.001 0.000 0.254 351 G HA3 -0.274 3.686 3.960 -0.001 0.000 0.254 351 G C 0.599 175.450 174.900 -0.083 0.000 0.988 351 G CA 0.311 45.321 45.100 -0.149 0.000 0.625 351 G HN 0.428 nan 8.290 nan 0.000 0.527 352 V N 0.265 120.135 119.914 -0.073 0.000 2.840 352 V HA 0.174 4.293 4.120 -0.001 0.000 0.234 352 V C 2.529 178.655 176.094 0.053 0.000 1.159 352 V CA 2.676 64.975 62.300 -0.003 0.000 1.194 352 V CB 0.253 32.084 31.823 0.014 0.000 0.971 352 V HN 0.725 nan 8.190 nan 0.000 0.494 353 T N -1.660 112.972 114.554 0.130 0.000 2.978 353 T HA 0.255 4.604 4.350 -0.001 0.000 0.248 353 T C 0.246 175.224 174.700 0.464 0.000 1.018 353 T CA 0.465 62.740 62.100 0.291 0.000 1.026 353 T CB 0.130 69.228 68.868 0.383 0.000 1.032 353 T HN 0.500 nan 8.240 nan 0.000 0.485 354 Y N -0.328 120.060 120.300 0.147 0.000 2.728 354 Y HA 0.820 5.370 4.550 -0.000 0.000 0.330 354 Y C -2.123 173.760 175.900 -0.029 0.000 1.234 354 Y CA -1.735 56.394 58.100 0.049 0.000 1.070 354 Y CB 0.901 39.294 38.460 -0.112 0.000 1.300 354 Y HN -0.138 nan 8.280 nan 0.000 0.467 355 D N 0.954 121.323 120.400 -0.050 0.000 2.661 355 D HA 0.332 4.972 4.640 -0.001 0.000 0.228 355 D C -1.094 175.193 176.300 -0.021 0.000 1.210 355 D CA -0.309 53.598 54.000 -0.155 0.000 0.826 355 D CB 2.968 43.717 40.800 -0.085 0.000 1.542 355 D HN 0.466 nan 8.370 nan 0.000 0.447 356 I N 1.302 121.839 120.570 -0.055 0.000 2.416 356 I HA 0.175 4.345 4.170 -0.001 0.000 0.288 356 I C 0.336 176.421 176.117 -0.055 0.000 1.051 356 I CA 0.180 61.455 61.300 -0.041 0.000 1.375 356 I CB 0.141 38.118 38.000 -0.039 0.000 1.407 356 I HN 0.113 nan 8.210 nan 0.000 0.516 357 K N 5.339 125.699 120.400 -0.066 0.000 2.578 357 K HA 0.305 4.625 4.320 -0.001 0.000 0.250 357 K C -0.353 176.213 176.600 -0.057 0.000 0.955 357 K CA -0.668 55.587 56.287 -0.053 0.000 0.825 357 K CB 1.227 33.701 32.500 -0.044 0.000 1.151 357 K HN 0.440 nan 8.250 nan 0.000 0.432 358 N N 1.593 120.267 118.700 -0.044 0.000 2.735 358 N HA -0.207 4.533 4.740 -0.001 0.000 0.248 358 N C 0.505 175.985 175.510 -0.050 0.000 1.083 358 N CA 1.328 54.354 53.050 -0.040 0.000 0.703 358 N CB -1.073 37.392 38.487 -0.036 0.000 1.005 358 N HN 1.089 nan 8.380 nan 0.000 0.550 359 G N -1.677 107.090 108.800 -0.056 0.000 2.155 359 G HA2 -0.380 3.579 3.960 -0.001 0.000 0.257 359 G HA3 -0.380 3.579 3.960 -0.001 0.000 0.257 359 G C 0.044 174.885 174.900 -0.097 0.000 0.983 359 G CA 0.917 45.978 45.100 -0.064 0.000 0.676 359 G HN 0.532 nan 8.290 nan 0.000 0.528 360 K N -0.047 120.281 120.400 -0.120 0.000 2.318 360 K HA 0.719 5.039 4.320 -0.001 0.000 0.249 360 K C 0.201 176.633 176.600 -0.280 0.000 0.942 360 K CA -0.240 55.931 56.287 -0.194 0.000 0.808 360 K CB 1.884 34.287 32.500 -0.161 0.000 1.189 360 K HN 0.440 nan 8.250 nan 0.000 0.428 361 A N 2.096 124.588 122.820 -0.546 0.000 2.409 361 A HA 0.390 4.710 4.320 -0.001 0.000 0.267 361 A C -0.542 176.588 177.584 -0.756 0.000 1.127 361 A CA -0.327 51.217 52.037 -0.821 0.000 0.795 361 A CB 0.209 18.031 19.000 -1.963 0.000 1.061 361 A HN 0.360 nan 8.150 nan 0.000 0.502 362 V N 4.006 123.718 119.914 -0.337 0.000 2.483 362 V HA 0.279 4.399 4.120 -0.001 0.000 0.297 362 V C -0.315 175.785 176.094 0.009 0.000 1.027 362 V CA -0.433 61.766 62.300 -0.169 0.000 0.855 362 V CB 1.081 32.870 31.823 -0.057 0.000 0.995 362 V HN 0.811 nan 8.190 nan 0.000 0.424 363 F N 3.082 123.135 119.950 0.170 0.000 2.563 363 F HA 0.162 4.688 4.527 -0.001 0.000 0.363 363 F C 1.242 177.114 175.800 0.120 0.000 1.123 363 F CA 0.084 58.207 58.000 0.205 0.000 1.307 363 F CB 0.587 39.719 39.000 0.220 0.000 1.115 363 F HN 0.375 nan 8.300 nan 0.000 0.592 364 K N 2.469 123.073 120.400 0.340 0.000 2.295 364 K HA -0.025 4.295 4.320 -0.001 0.000 0.270 364 K C 0.606 177.285 176.600 0.132 0.000 1.011 364 K CA -0.493 55.897 56.287 0.172 0.000 0.953 364 K CB 0.536 33.108 32.500 0.120 0.000 0.956 364 K HN 0.575 nan 8.250 nan 0.000 0.477 365 D N 0.859 121.308 120.400 0.083 0.000 2.149 365 D HA -0.164 4.475 4.640 -0.001 0.000 0.198 365 D C 1.827 178.142 176.300 0.026 0.000 0.990 365 D CA 1.751 55.783 54.000 0.054 0.000 0.839 365 D CB -0.059 40.763 40.800 0.036 0.000 0.948 365 D HN 0.582 nan 8.370 nan 0.000 0.460 366 S N 0.296 116.009 115.700 0.021 0.000 2.383 366 S HA -0.135 4.334 4.470 -0.001 0.000 0.229 366 S C 2.283 176.865 174.600 -0.030 0.000 1.030 366 S CA 0.974 59.171 58.200 -0.004 0.000 1.002 366 S CB -0.711 62.489 63.200 -0.001 0.000 0.829 366 S HN 0.098 nan 8.310 nan 0.000 0.467 367 V N 2.043 121.943 119.914 -0.023 0.000 2.379 367 V HA -0.030 4.089 4.120 -0.001 0.000 0.245 367 V C 2.486 178.486 176.094 -0.156 0.000 1.044 367 V CA 1.578 63.815 62.300 -0.105 0.000 1.036 367 V CB -0.771 30.987 31.823 -0.107 0.000 0.664 367 V HN 0.466 nan 8.190 nan 0.000 0.453 368 L N -0.710 120.467 121.223 -0.077 0.000 2.179 368 L HA -0.058 4.281 4.340 -0.001 0.000 0.208 368 L C 2.381 179.219 176.870 -0.053 0.000 1.096 368 L CA 1.268 56.072 54.840 -0.059 0.000 0.779 368 L CB -0.498 41.586 42.059 0.041 0.000 0.922 368 L HN 0.251 nan 8.230 nan 0.000 0.443 369 K N -0.396 119.981 120.400 -0.040 0.000 2.365 369 K HA 0.015 4.335 4.320 -0.001 0.000 0.197 369 K C 1.101 177.665 176.600 -0.061 0.000 1.042 369 K CA -0.009 56.255 56.287 -0.038 0.000 0.987 369 K CB 0.187 32.674 32.500 -0.021 0.000 0.779 369 K HN 0.077 nan 8.250 nan 0.000 0.484 370 S N 1.798 117.448 115.700 -0.083 0.000 2.568 370 S HA 0.054 4.524 4.470 -0.001 0.000 0.282 370 S C -1.398 173.135 174.600 -0.111 0.000 1.338 370 S CA -1.345 56.798 58.200 -0.094 0.000 1.045 370 S CB 0.698 63.831 63.200 -0.111 0.000 0.873 370 S HN 0.052 nan 8.310 nan 0.000 0.516 371 P HA -0.028 nan 4.420 nan 0.000 0.233 371 P C 0.011 177.234 177.300 -0.128 0.000 1.167 371 P CA 0.395 63.432 63.100 -0.104 0.000 0.770 371 P CB 0.052 31.703 31.700 -0.081 0.000 0.837 372 Q N 2.720 122.437 119.800 -0.138 0.000 2.295 372 Q HA 0.228 4.567 4.340 -0.001 0.000 0.259 372 Q C -2.223 173.634 176.000 -0.238 0.000 0.976 372 Q CA -2.701 53.005 55.803 -0.161 0.000 0.923 372 Q CB 0.340 28.992 28.738 -0.144 0.000 1.185 372 Q HN 0.094 nan 8.270 nan 0.000 0.410 373 P HA -0.113 nan 4.420 nan 0.000 0.265 373 P C 0.406 177.381 177.300 -0.541 0.000 1.193 373 P CA 0.073 62.923 63.100 -0.416 0.000 0.765 373 P CB 0.932 32.407 31.700 -0.375 0.000 0.823 374 V N 3.731 123.186 119.914 -0.764 0.000 2.278 374 V HA -0.331 3.789 4.120 -0.001 0.000 0.251 374 V C 2.373 178.031 176.094 -0.727 0.000 1.062 374 V CA 2.497 64.298 62.300 -0.832 0.000 1.038 374 V CB -1.495 29.579 31.823 -1.248 0.000 0.646 374 V HN 0.615 nan 8.190 nan 0.000 0.447 375 N N 0.196 118.413 118.700 -0.805 0.000 2.094 375 N HA -0.210 4.530 4.740 -0.001 0.000 0.191 375 N C 1.712 176.530 175.510 -1.154 0.000 1.023 375 N CA 1.528 54.079 53.050 -0.831 0.000 0.857 375 N CB -0.234 37.858 38.487 -0.660 0.000 1.013 375 N HN 0.563 nan 8.380 nan 0.000 0.426 376 N N 0.974 119.250 118.700 -0.706 0.000 2.244 376 N HA -0.123 4.616 4.740 -0.001 0.000 0.183 376 N C 1.523 176.829 175.510 -0.340 0.000 1.016 376 N CA 0.910 53.717 53.050 -0.404 0.000 0.866 376 N CB -0.075 38.315 38.487 -0.163 0.000 0.980 376 N HN 0.457 nan 8.380 nan 0.000 0.430 377 Q N 0.636 120.216 119.800 -0.367 0.000 2.124 377 Q HA -0.016 4.323 4.340 -0.001 0.000 0.202 377 Q C 2.222 178.048 176.000 -0.289 0.000 0.977 377 Q CA 0.851 56.486 55.803 -0.280 0.000 0.850 377 Q CB -0.033 28.537 28.738 -0.281 0.000 0.901 377 Q HN 0.370 nan 8.270 nan 0.000 0.429 378 L N -0.700 120.291 121.223 -0.387 0.000 2.072 378 L HA -0.172 4.168 4.340 -0.001 0.000 0.205 378 L C 2.192 178.845 176.870 -0.362 0.000 1.079 378 L CA 0.876 55.502 54.840 -0.356 0.000 0.752 378 L CB -0.540 41.294 42.059 -0.375 0.000 0.906 378 L HN 0.224 nan 8.230 nan 0.000 0.436 379 Y N 0.487 120.576 120.300 -0.353 0.000 2.114 379 Y HA -0.287 4.263 4.550 -0.000 0.000 0.282 379 Y C 2.378 177.955 175.900 -0.538 0.000 1.165 379 Y CA 0.888 58.729 58.100 -0.431 0.000 1.148 379 Y CB -1.090 37.174 38.460 -0.326 0.000 0.972 379 Y HN 0.246 nan 8.280 nan 0.000 0.504 380 D N -0.792 119.466 120.400 -0.238 0.000 2.351 380 D HA -0.131 4.509 4.640 -0.001 0.000 0.216 380 D C 1.743 177.898 176.300 -0.241 0.000 0.968 380 D CA 1.102 54.974 54.000 -0.213 0.000 0.899 380 D CB -0.245 40.470 40.800 -0.141 0.000 0.907 380 D HN 0.395 nan 8.370 nan 0.000 0.514 381 M N -1.711 117.623 119.600 -0.444 0.000 2.337 381 M HA 0.201 4.681 4.480 -0.001 0.000 0.256 381 M C 0.961 176.660 176.300 -1.001 0.000 1.075 381 M CA 0.336 55.354 55.300 -0.471 0.000 1.024 381 M CB 1.337 33.780 32.600 -0.262 0.000 1.429 381 M HN 0.083 nan 8.290 nan 0.000 0.497 382 G N 1.291 109.083 108.800 -1.681 0.000 2.134 382 G HA2 -0.122 3.838 3.960 -0.001 0.000 0.209 382 G HA3 -0.122 3.838 3.960 -0.001 0.000 0.209 382 G C -0.051 174.208 174.900 -1.068 0.000 0.993 382 G CA 0.047 43.845 45.100 -2.170 0.000 0.669 382 G HN 0.620 nan 8.290 nan 0.000 0.519 383 A N -0.609 121.769 122.820 -0.736 0.000 2.311 383 A HA 0.775 5.094 4.320 -0.001 0.000 0.334 383 A C 1.061 178.338 177.584 -0.512 0.000 1.139 383 A CA 0.607 52.307 52.037 -0.560 0.000 0.830 383 A CB 0.632 19.405 19.000 -0.379 0.000 1.234 383 A HN 1.095 nan 8.150 nan 0.000 0.483 384 Q N -1.296 118.133 119.800 -0.619 0.000 2.475 384 Q HA -0.207 4.133 4.340 -0.001 0.000 0.280 384 Q C -0.171 175.636 176.000 -0.321 0.000 1.234 384 Q CA 1.547 57.094 55.803 -0.427 0.000 0.873 384 Q CB -2.142 26.487 28.738 -0.182 0.000 1.256 384 Q HN 0.886 nan 8.270 nan 0.000 0.475 385 I N -3.086 117.075 120.570 -0.681 0.000 2.577 385 I HA 0.479 4.649 4.170 -0.001 0.000 0.305 385 I C -1.529 174.148 176.117 -0.733 0.000 0.986 385 I CA -2.731 58.183 61.300 -0.644 0.000 1.189 385 I CB 1.353 38.900 38.000 -0.755 0.000 1.355 385 I HN -0.255 nan 8.210 nan 0.000 0.476 386 P HA 0.061 nan 4.420 nan 0.000 0.271 386 P C 0.026 177.120 177.300 -0.342 0.000 1.601 386 P CA 0.277 63.233 63.100 -0.241 0.000 0.856 386 P CB -0.765 30.907 31.700 -0.046 0.000 1.820 387 I N -3.514 116.670 120.570 -0.644 0.000 3.502 387 I HA 0.679 4.848 4.170 -0.001 0.000 0.302 387 I C 0.541 176.089 176.117 -0.949 0.000 1.170 387 I CA -1.345 59.315 61.300 -1.066 0.000 0.953 387 I CB 0.498 37.514 38.000 -1.640 0.000 1.475 387 I HN -0.157 nan 8.210 nan 0.000 0.657 388 G N 1.953 109.759 108.800 -1.656 0.000 2.356 388 G HA2 0.506 4.466 3.960 -0.001 0.000 0.300 388 G HA3 0.506 4.466 3.960 -0.001 0.000 0.300 388 G C -0.916 173.855 174.900 -0.215 0.000 1.107 388 G CA -0.173 44.577 45.100 -0.583 0.000 0.960 388 G HN 0.664 nan 8.290 nan 0.000 0.418 389 F N 0.987 120.673 119.950 -0.439 0.000 2.713 389 F HA 0.700 5.226 4.527 -0.001 0.000 0.311 389 F C -2.142 173.209 175.800 -0.749 0.000 1.141 389 F CA -3.119 54.519 58.000 -0.603 0.000 0.939 389 F CB 1.106 39.780 39.000 -0.542 0.000 1.325 389 F HN 0.344 nan 8.300 nan 0.000 0.453 390 W N 4.971 125.442 121.300 -1.382 0.000 2.311 390 W HA 0.465 5.125 4.660 -0.000 0.000 0.317 390 W C -0.250 175.754 176.519 -0.858 0.000 1.065 390 W CA -1.178 55.432 57.345 -1.226 0.000 1.364 390 W CB 0.953 29.703 29.460 -1.183 0.000 1.233 390 W HN 0.916 nan 8.180 nan 0.000 0.409 391 Q N 3.267 122.708 119.800 -0.598 0.000 2.395 391 Q HA -0.025 4.315 4.340 -0.001 0.000 0.271 391 Q C -0.691 175.158 176.000 -0.253 0.000 1.026 391 Q CA 0.751 56.294 55.803 -0.433 0.000 0.900 391 Q CB 0.732 29.355 28.738 -0.192 0.000 1.266 391 Q HN 0.356 nan 8.270 nan 0.000 0.430 392 D N 2.550 122.845 120.400 -0.176 0.000 2.454 392 D HA 0.034 4.673 4.640 -0.001 0.000 0.247 392 D C -0.161 176.193 176.300 0.091 0.000 1.129 392 D CA -0.394 53.534 54.000 -0.121 0.000 0.877 392 D CB 0.471 41.192 40.800 -0.131 0.000 1.082 392 D HN 0.667 nan 8.370 nan 0.000 0.537 393 Y N 3.169 123.481 120.300 0.019 0.000 2.365 393 Y HA -0.231 4.319 4.550 -0.000 0.000 0.287 393 Y C 1.503 177.374 175.900 -0.047 0.000 1.162 393 Y CA 1.908 60.016 58.100 0.014 0.000 1.260 393 Y CB 0.110 38.562 38.460 -0.013 0.000 0.976 393 Y HN 0.425 nan 8.280 nan 0.000 0.548 394 D N -1.176 119.193 120.400 -0.052 0.000 2.263 394 D HA -0.244 4.396 4.640 -0.001 0.000 0.208 394 D C 1.966 178.209 176.300 -0.095 0.000 0.971 394 D CA 1.434 55.387 54.000 -0.078 0.000 0.867 394 D CB -0.430 40.414 40.800 0.072 0.000 0.929 394 D HN 0.617 nan 8.370 nan 0.000 0.492 395 Y N 0.344 120.489 120.300 -0.259 0.000 2.242 395 Y HA -0.008 4.542 4.550 -0.001 0.000 0.291 395 Y C 1.986 177.767 175.900 -0.199 0.000 1.137 395 Y CA 1.535 59.444 58.100 -0.318 0.000 1.181 395 Y CB -0.652 37.283 38.460 -0.875 0.000 0.989 395 Y HN -0.004 nan 8.280 nan 0.000 0.527 396 E N 0.741 120.037 120.200 -1.507 0.000 2.107 396 E HA -0.184 4.166 4.350 -0.001 0.000 0.191 396 E C 2.486 178.100 176.600 -1.643 0.000 0.982 396 E CA 0.594 55.764 56.400 -2.050 0.000 0.809 396 E CB -0.214 28.521 29.700 -1.608 0.000 0.756 396 E HN 0.525 nan 8.360 nan 0.000 0.459 397 R N 0.506 120.278 120.500 -1.213 0.000 2.105 397 R HA -0.199 4.141 4.340 -0.001 0.000 0.239 397 R C 2.169 178.215 176.300 -0.424 0.000 1.135 397 R CA 1.874 57.557 56.100 -0.695 0.000 0.967 397 R CB -0.067 30.000 30.300 -0.389 0.000 0.861 397 R HN 0.298 nan 8.270 nan 0.000 0.442 398 Q N -0.628 118.979 119.800 -0.321 0.000 2.226 398 Q HA -0.146 4.194 4.340 -0.001 0.000 0.204 398 Q C 0.913 176.937 176.000 0.041 0.000 0.975 398 Q CA 1.421 57.208 55.803 -0.027 0.000 0.866 398 Q CB 0.034 28.921 28.738 0.249 0.000 0.915 398 Q HN 0.644 nan 8.270 nan 0.000 0.440 399 W N -0.937 120.301 121.300 -0.104 0.000 2.966 399 W HA 0.391 5.050 4.660 -0.001 0.000 0.406 399 W C -0.757 175.701 176.519 -0.102 0.000 1.027 399 W CA -0.471 56.804 57.345 -0.117 0.000 1.930 399 W CB -0.111 29.235 29.460 -0.190 0.000 1.144 399 W HN -0.279 nan 8.180 nan 0.000 0.626 400 T N 2.821 117.267 114.554 -0.180 0.000 2.767 400 T HA 0.226 4.575 4.350 -0.001 0.000 0.284 400 T C 0.717 175.415 174.700 -0.002 0.000 0.973 400 T CA -0.015 62.018 62.100 -0.112 0.000 0.996 400 T CB 1.912 70.636 68.868 -0.239 0.000 0.927 400 T HN 0.090 nan 8.240 nan 0.000 0.456 401 T N 2.425 117.014 114.554 0.059 0.000 2.906 401 T HA 0.094 4.444 4.350 -0.001 0.000 0.320 401 T C -1.673 173.066 174.700 0.064 0.000 1.088 401 T CA -1.180 60.959 62.100 0.064 0.000 1.120 401 T CB 0.302 69.216 68.868 0.078 0.000 1.000 401 T HN 0.165 nan 8.240 nan 0.000 0.550 402 P HA -0.119 nan 4.420 nan 0.000 0.216 402 P C 1.531 178.879 177.300 0.081 0.000 1.153 402 P CA 1.230 64.365 63.100 0.057 0.000 0.858 402 P CB 0.076 31.807 31.700 0.051 0.000 0.789 403 E N -0.644 119.616 120.200 0.100 0.000 2.077 403 E HA -0.171 4.179 4.350 -0.001 0.000 0.193 403 E C 2.097 178.808 176.600 0.186 0.000 0.989 403 E CA 1.263 57.743 56.400 0.133 0.000 0.800 403 E CB -0.547 29.236 29.700 0.137 0.000 0.746 403 E HN 0.164 nan 8.360 nan 0.000 0.452 404 A N 1.305 124.245 122.820 0.200 0.000 1.877 404 A HA -0.221 4.099 4.320 -0.001 0.000 0.216 404 A C 2.148 179.841 177.584 0.182 0.000 1.186 404 A CA 1.172 53.382 52.037 0.288 0.000 0.620 404 A CB -0.365 18.790 19.000 0.258 0.000 0.822 404 A HN 0.110 nan 8.150 nan 0.000 0.443 405 Q N -0.524 119.334 119.800 0.096 0.000 2.135 405 Q HA -0.164 4.176 4.340 -0.001 0.000 0.204 405 Q C 2.423 178.437 176.000 0.023 0.000 0.981 405 Q CA 1.687 57.512 55.803 0.037 0.000 0.856 405 Q CB -0.661 28.098 28.738 0.034 0.000 0.902 405 Q HN 0.658 nan 8.270 nan 0.000 0.425 406 A N 0.250 123.110 122.820 0.067 0.000 1.902 406 A HA -0.087 4.233 4.320 -0.001 0.000 0.217 406 A C 2.315 179.950 177.584 0.085 0.000 1.181 406 A CA 1.772 53.853 52.037 0.073 0.000 0.623 406 A CB -0.977 18.080 19.000 0.095 0.000 0.818 406 A HN 0.462 nan 8.150 nan 0.000 0.443 407 G N -0.071 108.808 108.800 0.133 0.000 2.418 407 G HA2 -0.173 3.787 3.960 -0.001 0.000 0.217 407 G HA3 -0.173 3.787 3.960 -0.001 0.000 0.217 407 G C 1.527 176.328 174.900 -0.165 0.000 1.158 407 G CA 1.093 46.306 45.100 0.188 0.000 0.771 407 G HN 0.474 nan 8.290 nan 0.000 0.545 408 I N 0.913 121.205 120.570 -0.463 0.000 2.252 408 I HA -0.121 4.048 4.170 -0.001 0.000 0.245 408 I C 2.246 178.221 176.117 -0.237 0.000 1.102 408 I CA 1.097 62.001 61.300 -0.660 0.000 1.385 408 I CB -0.161 37.534 38.000 -0.508 0.000 1.064 408 I HN 0.051 nan 8.210 nan 0.000 0.414 409 D N 0.551 120.887 120.400 -0.106 0.000 2.149 409 D HA -0.241 4.399 4.640 -0.001 0.000 0.198 409 D C 2.090 178.399 176.300 0.015 0.000 0.990 409 D CA 1.305 55.281 54.000 -0.039 0.000 0.839 409 D CB -0.266 40.529 40.800 -0.008 0.000 0.948 409 D HN 0.335 nan 8.370 nan 0.000 0.460 410 M N -0.487 119.165 119.600 0.088 0.000 2.108 410 M HA -0.249 4.231 4.480 -0.001 0.000 0.261 410 M C 1.844 178.271 176.300 0.212 0.000 1.066 410 M CA 1.462 56.865 55.300 0.173 0.000 1.107 410 M CB -0.123 32.650 32.600 0.288 0.000 1.356 410 M HN -0.050 nan 8.290 nan 0.000 0.406 411 Y N -0.042 120.270 120.300 0.020 0.000 2.242 411 Y HA -0.141 4.409 4.550 -0.001 0.000 0.291 411 Y C 2.368 178.193 175.900 -0.125 0.000 1.137 411 Y CA 1.327 59.460 58.100 0.055 0.000 1.181 411 Y CB -0.888 37.615 38.460 0.072 0.000 0.989 411 Y HN 0.045 nan 8.280 nan 0.000 0.527 412 V N 0.015 119.938 119.914 0.015 0.000 2.307 412 V HA -0.284 3.836 4.120 -0.001 0.000 0.245 412 V C 2.191 178.211 176.094 -0.123 0.000 1.045 412 V CA 1.872 64.133 62.300 -0.065 0.000 1.024 412 V CB -0.488 31.290 31.823 -0.075 0.000 0.651 412 V HN 0.309 nan 8.190 nan 0.000 0.449 413 K N 0.304 120.638 120.400 -0.110 0.000 2.097 413 K HA -0.121 4.199 4.320 -0.001 0.000 0.206 413 K C 2.148 178.601 176.600 -0.244 0.000 1.049 413 K CA 1.504 57.716 56.287 -0.126 0.000 0.933 413 K CB -0.609 31.851 32.500 -0.067 0.000 0.717 413 K HN 0.561 nan 8.250 nan 0.000 0.442 414 G N 0.951 109.479 108.800 -0.453 0.000 2.534 414 G HA2 -0.199 3.760 3.960 -0.001 0.000 0.217 414 G HA3 -0.199 3.760 3.960 -0.001 0.000 0.217 414 G C 0.120 174.435 174.900 -0.974 0.000 1.128 414 G CA 0.193 44.705 45.100 -0.980 0.000 0.784 414 G HN 0.278 nan 8.290 nan 0.000 0.542 415 K N -1.277 118.777 120.400 -0.578 0.000 3.088 415 K HA -0.251 4.069 4.320 -0.001 0.000 0.273 415 K C 0.702 177.176 176.600 -0.210 0.000 1.111 415 K CA 0.880 56.988 56.287 -0.298 0.000 0.803 415 K CB -1.689 30.705 32.500 -0.178 0.000 1.226 415 K HN 0.544 nan 8.250 nan 0.000 0.485 416 Y N -0.152 120.117 120.300 -0.053 0.000 2.395 416 Y HA -0.003 4.547 4.550 -0.001 0.000 0.293 416 Y C 1.503 177.391 175.900 -0.021 0.000 1.123 416 Y CA 0.165 58.236 58.100 -0.049 0.000 1.227 416 Y CB 0.162 38.526 38.460 -0.159 0.000 1.012 416 Y HN -0.102 nan 8.280 nan 0.000 0.552 417 V N 3.275 123.264 119.914 0.124 0.000 2.450 417 V HA -0.092 4.027 4.120 -0.001 0.000 0.281 417 V C 0.304 176.406 176.094 0.013 0.000 1.019 417 V CA -0.000 62.356 62.300 0.093 0.000 1.062 417 V CB -0.229 31.652 31.823 0.096 0.000 0.979 417 V HN 0.229 nan 8.190 nan 0.000 0.477 418 M N 7.570 127.148 119.600 -0.035 0.000 2.211 418 M HA 0.321 4.801 4.480 -0.001 0.000 0.356 418 M C -2.239 174.037 176.300 -0.040 0.000 1.216 418 M CA -1.451 53.792 55.300 -0.096 0.000 1.134 418 M CB 0.869 33.330 32.600 -0.231 0.000 1.564 418 M HN 0.360 nan 8.290 nan 0.000 0.463 419 P HA 0.105 nan 4.420 nan 0.000 0.268 419 P C -0.174 177.151 177.300 0.042 0.000 1.205 419 P CA -0.060 63.053 63.100 0.022 0.000 0.771 419 P CB 0.534 32.254 31.700 0.033 0.000 0.858 420 G N 1.902 110.743 108.800 0.069 0.000 2.528 420 G HA2 0.403 4.363 3.960 -0.001 0.000 0.289 420 G HA3 0.403 4.363 3.960 -0.001 0.000 0.289 420 G C -1.291 173.714 174.900 0.174 0.000 1.192 420 G CA -0.624 44.540 45.100 0.107 0.000 0.921 420 G HN 0.474 nan 8.290 nan 0.000 0.512 421 F N 0.561 120.535 119.950 0.040 0.000 2.424 421 F HA 0.332 4.859 4.527 -0.001 0.000 0.356 421 F C 1.126 176.963 175.800 0.062 0.000 1.110 421 F CA -0.780 57.237 58.000 0.029 0.000 1.161 421 F CB 1.302 40.321 39.000 0.032 0.000 1.115 421 F HN 0.372 nan 8.300 nan 0.000 0.507 422 E N 4.606 124.578 120.200 -0.379 0.000 2.502 422 E HA 0.203 4.552 4.350 -0.001 0.000 0.194 422 E C 1.079 177.371 176.600 -0.513 0.000 1.062 422 E CA 0.622 56.849 56.400 -0.290 0.000 0.867 422 E CB -0.305 29.368 29.700 -0.045 0.000 0.888 422 E HN 0.963 nan 8.360 nan 0.000 0.510 423 G N 0.566 108.524 108.800 -1.403 0.000 2.796 423 G HA2 -0.206 3.754 3.960 -0.001 0.000 0.571 423 G HA3 -0.206 3.754 3.960 -0.001 0.000 0.571 423 G C -0.127 174.548 174.900 -0.375 0.000 1.370 423 G CA -0.329 44.198 45.100 -0.956 0.000 0.856 423 G HN 0.397 nan 8.290 nan 0.000 0.538 424 V N -2.684 117.186 119.914 -0.074 0.000 3.040 424 V HA 0.897 5.016 4.120 -0.001 0.000 0.312 424 V C -0.367 175.731 176.094 0.007 0.000 1.115 424 V CA -1.432 60.928 62.300 0.100 0.000 0.998 424 V CB 2.335 34.275 31.823 0.195 0.000 1.042 424 V HN 0.971 nan 8.190 nan 0.000 0.433 425 N N 2.744 121.460 118.700 0.026 0.000 2.392 425 N HA 0.646 5.386 4.740 -0.001 0.000 0.283 425 N C -0.807 174.697 175.510 -0.010 0.000 1.003 425 N CA -0.297 52.755 53.050 0.003 0.000 0.892 425 N CB 1.812 40.326 38.487 0.046 0.000 1.193 425 N HN 0.756 nan 8.380 nan 0.000 0.487 426 M N 0.330 119.901 119.600 -0.048 0.000 2.528 426 M HA 0.329 4.809 4.480 -0.001 0.000 0.318 426 M C 1.094 177.381 176.300 -0.021 0.000 1.195 426 M CA -0.779 54.495 55.300 -0.043 0.000 1.000 426 M CB 1.439 33.986 32.600 -0.089 0.000 1.615 426 M HN 0.452 nan 8.290 nan 0.000 0.469 427 T N -1.942 112.607 114.554 -0.008 0.000 2.788 427 T HA 0.344 4.694 4.350 -0.001 0.000 0.280 427 T C 1.016 175.712 174.700 -0.008 0.000 0.984 427 T CA -0.553 61.546 62.100 -0.002 0.000 0.972 427 T CB 0.996 69.868 68.868 0.007 0.000 1.039 427 T HN 0.665 nan 8.240 nan 0.000 0.530 428 R N 0.142 120.635 120.500 -0.011 0.000 2.083 428 R HA -0.137 4.202 4.340 -0.001 0.000 0.237 428 R C 2.551 178.854 176.300 0.005 0.000 1.137 428 R CA 2.007 58.099 56.100 -0.013 0.000 0.951 428 R CB -0.478 29.811 30.300 -0.018 0.000 0.851 428 R HN 0.926 nan 8.270 nan 0.000 0.434 429 E N 1.083 121.290 120.200 0.011 0.000 2.021 429 E HA -0.267 4.083 4.350 -0.001 0.000 0.200 429 E C 1.667 178.290 176.600 0.038 0.000 1.015 429 E CA 1.877 58.291 56.400 0.024 0.000 0.824 429 E CB 0.038 29.752 29.700 0.023 0.000 0.762 429 E HN 0.374 nan 8.360 nan 0.000 0.454 430 E N -0.062 120.158 120.200 0.032 0.000 2.033 430 E HA -0.260 4.090 4.350 -0.001 0.000 0.199 430 E C 2.300 178.941 176.600 0.068 0.000 1.011 430 E CA 1.436 57.862 56.400 0.044 0.000 0.815 430 E CB -0.222 29.487 29.700 0.014 0.000 0.755 430 E HN 0.049 nan 8.360 nan 0.000 0.451 431 R N 0.910 121.431 120.500 0.035 0.000 2.133 431 R HA -0.195 4.145 4.340 -0.001 0.000 0.247 431 R C 2.024 178.391 176.300 0.111 0.000 1.151 431 R CA 1.614 57.748 56.100 0.057 0.000 0.971 431 R CB -0.690 29.612 30.300 0.004 0.000 0.866 431 R HN 0.239 nan 8.270 nan 0.000 0.447 432 A N 0.238 123.098 122.820 0.067 0.000 1.908 432 A HA -0.153 4.167 4.320 -0.001 0.000 0.218 432 A C 2.247 179.859 177.584 0.047 0.000 1.181 432 A CA 1.802 53.866 52.037 0.044 0.000 0.627 432 A CB -0.581 18.435 19.000 0.027 0.000 0.818 432 A HN 0.372 nan 8.150 nan 0.000 0.445 433 I N -2.363 118.272 120.570 0.107 0.000 2.163 433 I HA -0.232 3.938 4.170 -0.001 0.000 0.240 433 I C 2.481 178.721 176.117 0.205 0.000 1.081 433 I CA 1.773 63.175 61.300 0.170 0.000 1.353 433 I CB -0.605 37.539 38.000 0.240 0.000 1.054 433 I HN 0.515 nan 8.210 nan 0.000 0.407 434 Y N 2.290 122.654 120.300 0.107 0.000 2.081 434 Y HA -0.355 4.195 4.550 -0.001 0.000 0.280 434 Y C 2.284 178.280 175.900 0.159 0.000 1.163 434 Y CA 2.040 60.225 58.100 0.142 0.000 1.135 434 Y CB -0.350 38.148 38.460 0.062 0.000 0.970 434 Y HN 0.203 nan 8.280 nan 0.000 0.498 435 D N -0.058 120.501 120.400 0.265 0.000 2.263 435 D HA -0.165 4.475 4.640 -0.001 0.000 0.208 435 D C 1.941 178.214 176.300 -0.045 0.000 0.971 435 D CA 1.284 55.362 54.000 0.131 0.000 0.867 435 D CB -0.189 40.690 40.800 0.131 0.000 0.929 435 D HN 0.443 nan 8.370 nan 0.000 0.492 436 K N -0.693 119.603 120.400 -0.173 0.000 2.186 436 K HA -0.084 4.236 4.320 -0.001 0.000 0.202 436 K C 1.162 177.452 176.600 -0.517 0.000 1.052 436 K CA 0.739 56.764 56.287 -0.437 0.000 0.965 436 K CB 0.262 32.312 32.500 -0.749 0.000 0.746 436 K HN 0.095 nan 8.250 nan 0.000 0.457 437 Y N -1.876 118.433 120.300 0.015 0.000 2.535 437 Y HA 0.044 4.594 4.550 -0.001 0.000 0.264 437 Y C 1.822 177.718 175.900 -0.006 0.000 1.087 437 Y CA -0.708 57.393 58.100 0.001 0.000 1.285 437 Y CB -0.561 37.920 38.460 0.036 0.000 1.200 437 Y HN 0.158 nan 8.280 nan 0.000 0.514 438 W N 1.734 122.955 121.300 -0.131 0.000 2.317 438 W HA -0.320 4.340 4.660 -0.001 0.000 0.318 438 W C 2.221 178.630 176.519 -0.184 0.000 1.227 438 W CA 2.150 59.342 57.345 -0.255 0.000 1.269 438 W CB -0.252 28.771 29.460 -0.728 0.000 1.155 438 W HN 0.092 nan 8.180 nan 0.000 0.484 439 A N 0.256 122.846 122.820 -0.383 0.000 1.908 439 A HA -0.330 3.990 4.320 -0.001 0.000 0.218 439 A C 1.576 178.928 177.584 -0.387 0.000 1.181 439 A CA 2.502 54.282 52.037 -0.430 0.000 0.627 439 A CB -1.318 17.563 19.000 -0.198 0.000 0.818 439 A HN 0.467 nan 8.150 nan 0.000 0.445 440 D N -0.746 119.509 120.400 -0.242 0.000 2.097 440 D HA -0.115 4.525 4.640 -0.001 0.000 0.195 440 D C 1.819 177.987 176.300 -0.220 0.000 0.989 440 D CA 1.552 55.450 54.000 -0.170 0.000 0.827 440 D CB -0.105 40.653 40.800 -0.071 0.000 0.966 440 D HN 0.137 nan 8.370 nan 0.000 0.456 441 V N 0.551 120.296 119.914 -0.282 0.000 2.287 441 V HA -0.233 3.887 4.120 -0.001 0.000 0.248 441 V C 2.651 178.435 176.094 -0.516 0.000 1.053 441 V CA 2.056 64.173 62.300 -0.305 0.000 1.027 441 V CB -0.654 31.035 31.823 -0.224 0.000 0.646 441 V HN 0.247 nan 8.190 nan 0.000 0.447 442 R N 0.376 120.267 120.500 -1.015 0.000 2.083 442 R HA -0.222 4.118 4.340 -0.001 0.000 0.237 442 R C 2.541 178.529 176.300 -0.521 0.000 1.137 442 R CA 2.387 57.884 56.100 -1.004 0.000 0.951 442 R CB -0.652 28.900 30.300 -1.246 0.000 0.851 442 R HN 0.720 nan 8.270 nan 0.000 0.434 443 T N -1.757 112.572 114.554 -0.374 0.000 2.833 443 T HA -0.221 4.129 4.350 -0.001 0.000 0.269 443 T C 1.844 176.483 174.700 -0.100 0.000 1.054 443 T CA 1.305 63.288 62.100 -0.194 0.000 1.135 443 T CB -0.603 68.178 68.868 -0.145 0.000 0.869 443 T HN 0.460 nan 8.240 nan 0.000 0.466 444 Y N 1.922 122.093 120.300 -0.214 0.000 2.145 444 Y HA 0.033 4.582 4.550 -0.001 0.000 0.286 444 Y C 2.423 178.252 175.900 -0.118 0.000 1.145 444 Y CA 1.297 59.304 58.100 -0.154 0.000 1.148 444 Y CB -0.530 37.834 38.460 -0.161 0.000 0.981 444 Y HN 0.168 nan 8.280 nan 0.000 0.507 445 M N -1.570 117.859 119.600 -0.285 0.000 2.086 445 M HA -0.248 4.232 4.480 -0.001 0.000 0.261 445 M C 2.067 178.224 176.300 -0.239 0.000 1.067 445 M CA 2.144 57.304 55.300 -0.233 0.000 1.116 445 M CB -0.818 31.633 32.600 -0.248 0.000 1.348 445 M HN 0.369 nan 8.290 nan 0.000 0.407 446 Y N 1.474 121.528 120.300 -0.410 0.000 2.165 446 Y HA -0.252 4.297 4.550 -0.001 0.000 0.286 446 Y C 2.137 177.907 175.900 -0.217 0.000 1.155 446 Y CA 1.909 59.831 58.100 -0.297 0.000 1.164 446 Y CB -0.177 38.121 38.460 -0.271 0.000 0.978 446 Y HN 0.281 nan 8.280 nan 0.000 0.513 447 E N -1.014 119.063 120.200 -0.206 0.000 2.106 447 E HA -0.210 4.140 4.350 -0.001 0.000 0.192 447 E C 2.099 178.423 176.600 -0.460 0.000 0.984 447 E CA 1.271 57.505 56.400 -0.276 0.000 0.806 447 E CB -0.155 29.442 29.700 -0.173 0.000 0.750 447 E HN 0.449 nan 8.360 nan 0.000 0.458 448 M N 0.163 119.368 119.600 -0.658 0.000 2.200 448 M HA -0.032 4.448 4.480 -0.001 0.000 0.265 448 M C 2.446 178.088 176.300 -1.098 0.000 1.066 448 M CA 1.249 55.914 55.300 -1.059 0.000 1.127 448 M CB -1.233 30.512 32.600 -1.425 0.000 1.379 448 M HN 0.185 nan 8.290 nan 0.000 0.420 449 G N -0.433 108.021 108.800 -0.578 0.000 2.421 449 G HA2 -0.264 3.696 3.960 -0.001 0.000 0.216 449 G HA3 -0.264 3.696 3.960 -0.001 0.000 0.216 449 G C 1.511 176.463 174.900 0.086 0.000 1.171 449 G CA 0.735 45.781 45.100 -0.090 0.000 0.775 449 G HN 0.501 nan 8.290 nan 0.000 0.543 450 Q N -0.039 119.618 119.800 -0.237 0.000 2.061 450 Q HA -0.090 4.250 4.340 -0.001 0.000 0.204 450 Q C 2.917 178.732 176.000 -0.309 0.000 0.984 450 Q CA 1.565 57.076 55.803 -0.486 0.000 0.846 450 Q CB -0.290 27.944 28.738 -0.840 0.000 0.902 450 Q HN 0.443 nan 8.270 nan 0.000 0.421 451 A N -0.080 122.562 122.820 -0.296 0.000 1.933 451 A HA -0.183 4.137 4.320 -0.001 0.000 0.218 451 A C 1.600 179.176 177.584 -0.013 0.000 1.175 451 A CA 1.186 53.111 52.037 -0.186 0.000 0.628 451 A CB -0.925 17.934 19.000 -0.235 0.000 0.814 451 A HN 0.566 nan 8.150 nan 0.000 0.444 452 W N -0.029 121.220 121.300 -0.085 0.000 2.358 452 W HA -0.083 4.577 4.660 -0.001 0.000 0.303 452 W C 2.348 178.815 176.519 -0.088 0.000 1.208 452 W CA 0.969 58.268 57.345 -0.077 0.000 1.274 452 W CB -1.350 28.063 29.460 -0.079 0.000 1.138 452 W HN 0.178 nan 8.180 nan 0.000 0.515 453 V N 0.977 120.995 119.914 0.172 0.000 2.261 453 V HA -0.326 3.794 4.120 -0.001 0.000 0.246 453 V C 2.202 178.134 176.094 -0.270 0.000 1.047 453 V CA 2.082 64.383 62.300 0.001 0.000 1.015 453 V CB -0.911 30.965 31.823 0.089 0.000 0.642 453 V HN 0.073 nan 8.190 nan 0.000 0.446 454 M N -0.136 119.277 119.600 -0.312 0.000 2.700 454 M HA 0.123 4.603 4.480 -0.001 0.000 0.249 454 M C 1.593 177.861 176.300 -0.054 0.000 1.082 454 M CA 1.089 56.154 55.300 -0.392 0.000 1.077 454 M CB -0.463 32.025 32.600 -0.186 0.000 1.477 454 M HN 0.602 nan 8.290 nan 0.000 0.529 455 G N 0.054 108.860 108.800 0.011 0.000 2.155 455 G HA2 -0.275 3.685 3.960 -0.001 0.000 0.257 455 G HA3 -0.275 3.685 3.960 -0.001 0.000 0.257 455 G C 0.775 175.717 174.900 0.071 0.000 0.983 455 G CA 0.776 45.919 45.100 0.072 0.000 0.676 455 G HN 0.388 nan 8.290 nan 0.000 0.528 456 T N -0.201 114.383 114.554 0.049 0.000 2.915 456 T HA 0.110 4.460 4.350 -0.001 0.000 0.269 456 T C 1.100 175.837 174.700 0.061 0.000 1.071 456 T CA 1.693 63.816 62.100 0.038 0.000 1.132 456 T CB -0.049 68.816 68.868 -0.005 0.000 0.878 456 T HN 0.557 nan 8.240 nan 0.000 0.479 457 K N 1.343 121.810 120.400 0.113 0.000 2.464 457 K HA 0.352 4.671 4.320 -0.001 0.000 0.253 457 K C -1.617 175.133 176.600 0.251 0.000 0.933 457 K CA -0.766 55.625 56.287 0.173 0.000 0.801 457 K CB 2.263 34.869 32.500 0.177 0.000 1.271 457 K HN -0.061 nan 8.250 nan 0.000 0.430 458 D N 1.442 121.941 120.400 0.165 0.000 2.308 458 D HA 0.038 4.678 4.640 -0.001 0.000 0.251 458 D C 1.191 177.507 176.300 0.027 0.000 1.127 458 D CA -0.312 53.727 54.000 0.065 0.000 0.876 458 D CB 1.479 42.292 40.800 0.022 0.000 1.176 458 D HN 0.289 nan 8.370 nan 0.000 0.446 459 V N 2.070 121.812 119.914 -0.287 0.000 2.307 459 V HA -0.146 3.974 4.120 -0.001 0.000 0.245 459 V C 1.350 177.271 176.094 -0.288 0.000 1.045 459 V CA 1.639 63.503 62.300 -0.727 0.000 1.024 459 V CB -0.471 30.662 31.823 -1.151 0.000 0.651 459 V HN 0.506 nan 8.190 nan 0.000 0.449 460 D N 0.200 120.467 120.400 -0.222 0.000 2.144 460 D HA -0.090 4.549 4.640 -0.001 0.000 0.199 460 D C 2.238 178.557 176.300 0.032 0.000 0.984 460 D CA 1.210 55.147 54.000 -0.106 0.000 0.834 460 D CB -0.209 40.506 40.800 -0.141 0.000 0.955 460 D HN 0.443 nan 8.370 nan 0.000 0.465 461 K N -0.153 120.272 120.400 0.041 0.000 2.217 461 K HA -0.013 4.307 4.320 -0.001 0.000 0.202 461 K C 1.758 178.453 176.600 0.158 0.000 1.051 461 K CA 1.015 57.354 56.287 0.087 0.000 0.952 461 K CB -0.149 32.393 32.500 0.070 0.000 0.736 461 K HN 0.301 nan 8.250 nan 0.000 0.453 462 T N -3.522 111.173 114.554 0.236 0.000 3.044 462 T HA 0.035 4.384 4.350 -0.001 0.000 0.260 462 T C 1.288 176.254 174.700 0.444 0.000 1.019 462 T CA -0.632 61.668 62.100 0.332 0.000 0.921 462 T CB -0.168 68.953 68.868 0.422 0.000 1.053 462 T HN 0.263 nan 8.240 nan 0.000 0.533 463 W N 2.634 124.057 121.300 0.204 0.000 2.358 463 W HA -0.133 4.527 4.660 -0.001 0.000 0.303 463 W C 0.691 177.400 176.519 0.316 0.000 1.208 463 W CA 1.356 58.860 57.345 0.264 0.000 1.274 463 W CB -0.074 29.426 29.460 0.065 0.000 1.138 463 W HN 0.247 nan 8.180 nan 0.000 0.515 464 D N 0.311 120.882 120.400 0.285 0.000 2.117 464 D HA -0.213 4.427 4.640 -0.001 0.000 0.197 464 D C 1.821 178.165 176.300 0.074 0.000 0.987 464 D CA 1.761 55.849 54.000 0.148 0.000 0.829 464 D CB -0.539 40.356 40.800 0.158 0.000 0.961 464 D HN 0.183 nan 8.370 nan 0.000 0.460 465 E N 0.027 120.304 120.200 0.129 0.000 2.072 465 E HA -0.183 4.167 4.350 -0.001 0.000 0.191 465 E C 2.022 178.694 176.600 0.120 0.000 0.985 465 E CA 0.705 57.168 56.400 0.104 0.000 0.801 465 E CB -0.537 29.245 29.700 0.136 0.000 0.750 465 E HN 0.366 nan 8.360 nan 0.000 0.452 466 Y N 1.110 121.446 120.300 0.059 0.000 2.128 466 Y HA -0.241 4.308 4.550 -0.001 0.000 0.284 466 Y C 2.042 177.904 175.900 -0.064 0.000 1.154 466 Y CA 2.217 60.366 58.100 0.082 0.000 1.149 466 Y CB -0.255 38.258 38.460 0.089 0.000 0.976 466 Y HN 0.064 nan 8.280 nan 0.000 0.505 467 Q N 0.247 119.858 119.800 -0.314 0.000 2.084 467 Q HA -0.184 4.156 4.340 -0.001 0.000 0.202 467 Q C 2.437 178.276 176.000 -0.268 0.000 0.978 467 Q CA 1.354 56.926 55.803 -0.386 0.000 0.844 467 Q CB -0.411 28.168 28.738 -0.265 0.000 0.898 467 Q HN 0.480 nan 8.270 nan 0.000 0.426 468 R N 0.456 120.851 120.500 -0.175 0.000 2.073 468 R HA -0.114 4.226 4.340 -0.001 0.000 0.234 468 R C 2.063 178.227 176.300 -0.227 0.000 1.134 468 R CA 1.038 57.037 56.100 -0.168 0.000 0.952 468 R CB 0.082 30.324 30.300 -0.096 0.000 0.850 468 R HN 0.302 nan 8.270 nan 0.000 0.433 469 Q N 0.297 119.956 119.800 -0.234 0.000 2.124 469 Q HA -0.124 4.216 4.340 -0.001 0.000 0.202 469 Q C 2.144 177.896 176.000 -0.412 0.000 0.977 469 Q CA 0.966 56.549 55.803 -0.368 0.000 0.850 469 Q CB -0.228 28.192 28.738 -0.529 0.000 0.901 469 Q HN 0.176 nan 8.270 nan 0.000 0.429 470 L N 1.034 122.040 121.223 -0.360 0.000 2.017 470 L HA -0.184 4.155 4.340 -0.001 0.000 0.208 470 L C 2.192 178.894 176.870 -0.279 0.000 1.073 470 L CA 1.791 56.452 54.840 -0.297 0.000 0.745 470 L CB -0.551 41.315 42.059 -0.321 0.000 0.894 470 L HN 0.128 nan 8.230 nan 0.000 0.432 471 K N -1.211 118.962 120.400 -0.379 0.000 2.057 471 K HA -0.161 4.158 4.320 -0.001 0.000 0.206 471 K C 2.010 178.397 176.600 -0.355 0.000 1.050 471 K CA 0.944 56.921 56.287 -0.516 0.000 0.935 471 K CB -0.382 31.742 32.500 -0.626 0.000 0.715 471 K HN 0.093 nan 8.250 nan 0.000 0.439 472 L N 1.435 122.476 121.223 -0.304 0.000 2.083 472 L HA -0.123 4.217 4.340 -0.001 0.000 0.209 472 L C 1.820 178.536 176.870 -0.258 0.000 1.083 472 L CA 1.624 56.310 54.840 -0.256 0.000 0.752 472 L CB -0.159 41.760 42.059 -0.233 0.000 0.899 472 L HN 0.011 nan 8.230 nan 0.000 0.433 473 R N -1.131 119.204 120.500 -0.275 0.000 2.313 473 R HA 0.218 4.558 4.340 -0.001 0.000 0.199 473 R C 1.161 177.320 176.300 -0.234 0.000 0.958 473 R CA 0.648 56.607 56.100 -0.235 0.000 1.047 473 R CB -0.014 30.133 30.300 -0.255 0.000 0.955 473 R HN 0.497 nan 8.270 nan 0.000 0.481 474 G N 0.202 108.833 108.800 -0.282 0.000 2.184 474 G HA2 -0.243 3.717 3.960 -0.001 0.000 0.206 474 G HA3 -0.243 3.717 3.960 -0.001 0.000 0.206 474 G C 0.622 175.495 174.900 -0.044 0.000 0.995 474 G CA -0.019 44.879 45.100 -0.336 0.000 0.651 474 G HN 0.263 nan 8.290 nan 0.000 0.511 475 L N -0.475 120.777 121.223 0.048 0.000 2.010 475 L HA -0.208 4.132 4.340 -0.001 0.000 0.219 475 L C 2.588 179.647 176.870 0.314 0.000 1.077 475 L CA 2.800 57.776 54.840 0.228 0.000 0.773 475 L CB -0.397 41.796 42.059 0.224 0.000 0.892 475 L HN 0.376 nan 8.230 nan 0.000 0.436 476 Y N 0.255 120.548 120.300 -0.012 0.000 2.274 476 Y HA -0.262 4.288 4.550 -0.001 0.000 0.290 476 Y C 2.737 178.631 175.900 -0.009 0.000 1.145 476 Y CA 1.246 59.340 58.100 -0.010 0.000 1.203 476 Y CB -0.711 37.730 38.460 -0.032 0.000 0.984 476 Y HN 0.365 nan 8.280 nan 0.000 0.533 477 Q N -0.734 119.143 119.800 0.128 0.000 2.123 477 Q HA -0.075 4.264 4.340 -0.001 0.000 0.199 477 Q C 2.515 178.582 176.000 0.112 0.000 0.966 477 Q CA 1.169 57.020 55.803 0.081 0.000 0.845 477 Q CB -0.713 28.035 28.738 0.016 0.000 0.907 477 Q HN 0.273 nan 8.270 nan 0.000 0.439 478 V N 0.523 120.527 119.914 0.151 0.000 2.261 478 V HA -0.260 3.860 4.120 -0.001 0.000 0.246 478 V C 2.117 178.231 176.094 0.033 0.000 1.047 478 V CA 1.615 64.009 62.300 0.157 0.000 1.015 478 V CB -0.623 31.341 31.823 0.234 0.000 0.642 478 V HN 0.336 nan 8.190 nan 0.000 0.446 479 L N -0.420 120.817 121.223 0.023 0.000 2.079 479 L HA -0.277 4.063 4.340 -0.001 0.000 0.210 479 L C 2.670 179.483 176.870 -0.094 0.000 1.081 479 L CA 1.995 56.787 54.840 -0.080 0.000 0.752 479 L CB -0.556 41.462 42.059 -0.068 0.000 0.896 479 L HN 0.436 nan 8.230 nan 0.000 0.433 480 Q N -0.590 119.186 119.800 -0.040 0.000 2.124 480 Q HA -0.224 4.115 4.340 -0.001 0.000 0.202 480 Q C 2.290 178.281 176.000 -0.014 0.000 0.977 480 Q CA 1.367 57.153 55.803 -0.028 0.000 0.850 480 Q CB 0.143 28.883 28.738 0.003 0.000 0.901 480 Q HN 0.377 nan 8.270 nan 0.000 0.429 481 M N -0.566 119.037 119.600 0.004 0.000 2.254 481 M HA -0.086 4.394 4.480 -0.001 0.000 0.265 481 M C 1.993 178.276 176.300 -0.029 0.000 1.066 481 M CA 1.088 56.395 55.300 0.012 0.000 1.123 481 M CB -0.670 31.964 32.600 0.056 0.000 1.388 481 M HN 0.330 nan 8.290 nan 0.000 0.425 482 M N -0.314 119.228 119.600 -0.097 0.000 2.099 482 M HA -0.181 4.298 4.480 -0.001 0.000 0.262 482 M C 2.182 178.441 176.300 -0.068 0.000 1.067 482 M CA 1.626 56.823 55.300 -0.172 0.000 1.124 482 M CB -1.216 31.122 32.600 -0.436 0.000 1.353 482 M HN 0.250 nan 8.290 nan 0.000 0.410 483 Q N 0.713 120.468 119.800 -0.074 0.000 2.084 483 Q HA -0.207 4.133 4.340 -0.001 0.000 0.202 483 Q C 1.954 177.994 176.000 0.067 0.000 0.978 483 Q CA 2.073 57.871 55.803 -0.007 0.000 0.844 483 Q CB -0.381 28.328 28.738 -0.048 0.000 0.898 483 Q HN 0.583 nan 8.270 nan 0.000 0.426 484 Q N -0.973 118.847 119.800 0.032 0.000 2.061 484 Q HA -0.184 4.156 4.340 -0.001 0.000 0.204 484 Q C 1.857 177.889 176.000 0.054 0.000 0.984 484 Q CA 1.800 57.625 55.803 0.038 0.000 0.846 484 Q CB -0.365 28.386 28.738 0.022 0.000 0.902 484 Q HN 0.471 nan 8.270 nan 0.000 0.421 485 A N -0.262 122.592 122.820 0.057 0.000 1.933 485 A HA -0.202 4.118 4.320 -0.001 0.000 0.218 485 A C 1.885 179.553 177.584 0.141 0.000 1.175 485 A CA 1.341 53.420 52.037 0.070 0.000 0.628 485 A CB -0.992 18.035 19.000 0.045 0.000 0.814 485 A HN 0.684 nan 8.150 nan 0.000 0.444 486 Y N 1.350 121.693 120.300 0.072 0.000 2.114 486 Y HA -0.225 4.324 4.550 -0.001 0.000 0.284 486 Y C 1.935 177.932 175.900 0.162 0.000 1.143 486 Y CA 2.045 60.237 58.100 0.154 0.000 1.135 486 Y CB -0.241 38.242 38.460 0.039 0.000 0.980 486 Y HN 0.366 nan 8.280 nan 0.000 0.499 487 D N -0.097 120.355 120.400 0.086 0.000 2.123 487 D HA -0.226 4.414 4.640 -0.001 0.000 0.196 487 D C 2.275 178.541 176.300 -0.057 0.000 0.992 487 D CA 1.539 55.538 54.000 -0.003 0.000 0.833 487 D CB -0.411 40.418 40.800 0.049 0.000 0.954 487 D HN 0.405 nan 8.370 nan 0.000 0.455 488 R N 0.693 121.175 120.500 -0.029 0.000 2.075 488 R HA -0.101 4.239 4.340 -0.001 0.000 0.232 488 R C 2.110 178.351 176.300 -0.099 0.000 1.126 488 R CA 1.218 57.289 56.100 -0.047 0.000 0.963 488 R CB -0.059 30.228 30.300 -0.021 0.000 0.858 488 R HN 0.175 nan 8.270 nan 0.000 0.435 489 Q N -1.142 118.590 119.800 -0.113 0.000 2.163 489 Q HA -0.083 4.257 4.340 -0.001 0.000 0.198 489 Q C 0.696 176.405 176.000 -0.486 0.000 0.954 489 Q CA 1.056 56.704 55.803 -0.257 0.000 0.851 489 Q CB 0.331 28.951 28.738 -0.197 0.000 0.928 489 Q HN 0.413 nan 8.270 nan 0.000 0.459 490 Y N -1.254 118.803 120.300 -0.405 0.000 2.445 490 Y HA 0.251 4.801 4.550 -0.001 0.000 0.247 490 Y C 1.186 176.892 175.900 -0.323 0.000 1.129 490 Y CA 0.094 57.939 58.100 -0.425 0.000 1.251 490 Y CB 0.853 38.878 38.460 -0.726 0.000 1.176 490 Y HN -0.090 nan 8.280 nan 0.000 0.522 491 K N 0.200 120.503 120.400 -0.162 0.000 2.391 491 K HA 0.089 4.409 4.320 -0.001 0.000 0.197 491 K C 0.449 177.008 176.600 -0.069 0.000 1.087 491 K CA 0.076 56.312 56.287 -0.086 0.000 1.012 491 K CB 0.167 32.633 32.500 -0.057 0.000 0.925 491 K HN 0.286 nan 8.250 nan 0.000 0.547 492 N N 0.000 118.647 118.700 -0.088 0.000 1.763 492 N HA 0.000 4.740 4.740 -0.001 0.000 0.220 492 N CA 0.000 53.007 53.050 -0.071 0.000 0.885 492 N CB 0.000 38.437 38.487 -0.083 0.000 1.341 492 N HN 0.000 nan 8.380 nan 0.000 0.667