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 1bnc_1_B DATA FIRST_RESID 1 DATA SEQUENCE MLDKIVIANR GEIALRILRA CKELGIKTVA VHSSADRDLK HVLLADETVC DATA SEQUENCE IGPAPSVKSY LNIPAIISAA EITGAVAIHP GYGFLSENAN FAEQVERSGF DATA SEQUENCE IFIGPKAETI RLMGDKVSAI AAMKKAGVPC VPGSDGXXXD DMDKNRAIAK DATA SEQUENCE RIGYPVIIKX XXXXXXXXXR VVRGDAELAQ SISMTRAXXX XXXXXXXXYM DATA SEQUENCE EKYLENPRHV EIQVLADGQG NAIYLAERDC SMQRRHQKVV EEAPAPGITP DATA SEQUENCE ELRRYIGERC AKACVDIGYR GAGTFEFLFE NGEFYFIEMN TRIQVEHPVT DATA SEQUENCE EMITGVDLIK EQLRIAAGQP LSIKQEEVHV RGHAVECRIN AEDPNTFLPS DATA SEQUENCE PGKITRFHAP GGFGVRWESH IYAGYTVPPY YDSMIGKLIC YGENRDVAIA DATA SEQUENCE RMKNALQELI IDGIKTNVDL QIRIMNDENF QHGGTNIHYL EKKLGLQE 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 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.299 176.300 -0.002 0.000 1.140 1 M CA 0.000 55.298 55.300 -0.003 0.000 0.988 1 M CB 0.000 32.598 32.600 -0.003 0.000 1.302 2 L N 0.741 121.962 121.223 -0.003 0.000 2.452 2 L HA 0.192 4.532 4.340 -0.000 0.000 0.267 2 L C 0.921 177.791 176.870 -0.001 0.000 1.188 2 L CA 0.048 54.887 54.840 -0.002 0.000 0.821 2 L CB -0.079 41.976 42.059 -0.006 0.000 1.102 2 L HN 0.700 nan 8.230 nan 0.000 0.470 3 D N 0.264 120.665 120.400 0.002 0.000 2.106 3 D HA 0.012 4.652 4.640 -0.000 0.000 0.203 3 D C 0.369 176.667 176.300 -0.003 0.000 0.977 3 D CA 1.227 55.228 54.000 0.002 0.000 0.844 3 D CB 0.425 41.230 40.800 0.007 0.000 1.002 3 D HN 0.473 nan 8.370 nan 0.000 0.461 4 K N -0.396 120.000 120.400 -0.007 0.000 2.469 4 K HA 0.501 4.821 4.320 -0.000 0.000 0.254 4 K C -1.492 175.091 176.600 -0.029 0.000 0.939 4 K CA -0.839 55.439 56.287 -0.015 0.000 0.812 4 K CB 1.944 34.435 32.500 -0.015 0.000 1.301 4 K HN 0.197 nan 8.250 nan 0.000 0.433 5 I N -0.496 120.056 120.570 -0.031 0.000 2.969 5 I HA 0.537 4.707 4.170 -0.000 0.000 0.307 5 I C -1.520 174.573 176.117 -0.040 0.000 1.149 5 I CA -0.932 60.343 61.300 -0.041 0.000 1.008 5 I CB 2.240 40.230 38.000 -0.018 0.000 1.232 5 I HN 0.206 nan 8.210 nan 0.000 0.435 6 V N 5.194 125.077 119.914 -0.051 0.000 2.435 6 V HA 0.431 4.551 4.120 -0.000 0.000 0.290 6 V C 0.023 176.129 176.094 0.021 0.000 1.030 6 V CA -0.359 61.924 62.300 -0.028 0.000 0.881 6 V CB 1.478 33.266 31.823 -0.060 0.000 0.983 6 V HN 0.531 nan 8.190 nan 0.000 0.445 7 I N 4.344 124.934 120.570 0.035 0.000 2.276 7 I HA 0.340 4.510 4.170 -0.000 0.000 0.290 7 I C 0.993 177.139 176.117 0.048 0.000 1.109 7 I CA -0.043 61.273 61.300 0.027 0.000 1.229 7 I CB 1.096 39.102 38.000 0.010 0.000 1.452 7 I HN 0.692 nan 8.210 nan 0.000 0.497 8 A N 5.710 128.573 122.820 0.072 0.000 3.051 8 A HA 0.306 4.626 4.320 -0.000 0.000 0.257 8 A C 0.277 177.884 177.584 0.037 0.000 1.785 8 A CA 0.246 52.339 52.037 0.094 0.000 1.420 8 A CB -0.683 18.444 19.000 0.212 0.000 1.063 8 A HN 0.746 nan 8.150 nan 0.000 0.630 9 N N -0.071 118.615 118.700 -0.023 0.000 3.496 9 N HA 0.407 5.147 4.740 -0.000 0.000 0.331 9 N C -0.895 174.452 175.510 -0.272 0.000 1.532 9 N CA -0.219 52.739 53.050 -0.153 0.000 0.863 9 N CB 1.035 39.405 38.487 -0.195 0.000 1.927 9 N HN 0.668 nan 8.380 nan 0.000 0.529 10 R N -1.069 119.181 120.500 -0.417 0.000 2.829 10 R HA 0.656 4.996 4.340 -0.000 0.000 0.267 10 R C 0.535 176.527 176.300 -0.513 0.000 1.051 10 R CA -0.070 55.762 56.100 -0.446 0.000 0.927 10 R CB 0.002 29.904 30.300 -0.663 0.000 1.292 10 R HN 0.697 nan 8.270 nan 0.000 0.445 11 G N 0.681 109.185 108.800 -0.494 0.000 2.582 11 G HA2 -0.411 3.549 3.960 -0.000 0.000 0.288 11 G HA3 -0.411 3.549 3.960 -0.000 0.000 0.288 11 G C 0.734 175.139 174.900 -0.825 0.000 1.247 11 G CA 0.760 45.352 45.100 -0.847 0.000 0.972 11 G HN 0.915 nan 8.290 nan 0.000 0.557 12 E N -0.296 119.421 120.200 -0.806 0.000 2.048 12 E HA -0.203 4.147 4.350 -0.000 0.000 0.202 12 E C 2.637 179.067 176.600 -0.284 0.000 1.021 12 E CA 2.337 58.539 56.400 -0.330 0.000 0.825 12 E CB -0.358 29.267 29.700 -0.124 0.000 0.756 12 E HN 0.711 nan 8.360 nan 0.000 0.454 13 I N 1.112 121.483 120.570 -0.331 0.000 2.567 13 I HA -0.146 4.024 4.170 -0.000 0.000 0.257 13 I C 2.204 178.065 176.117 -0.426 0.000 1.184 13 I CA 1.412 62.489 61.300 -0.372 0.000 1.451 13 I CB -0.686 36.853 38.000 -0.769 0.000 1.089 13 I HN 0.197 nan 8.210 nan 0.000 0.441 14 A N -0.138 122.360 122.820 -0.536 0.000 1.897 14 A HA -0.145 4.175 4.320 -0.000 0.000 0.215 14 A C 2.195 179.476 177.584 -0.505 0.000 1.181 14 A CA 1.642 53.278 52.037 -0.668 0.000 0.620 14 A CB -0.938 17.360 19.000 -1.170 0.000 0.821 14 A HN 0.461 nan 8.150 nan 0.000 0.443 15 L N -0.252 120.743 121.223 -0.380 0.000 2.156 15 L HA -0.005 4.335 4.340 -0.000 0.000 0.208 15 L C 2.322 179.129 176.870 -0.105 0.000 1.095 15 L CA 2.177 56.932 54.840 -0.142 0.000 0.770 15 L CB -0.467 41.552 42.059 -0.067 0.000 0.914 15 L HN 0.412 nan 8.230 nan 0.000 0.439 16 R N -0.024 120.397 120.500 -0.131 0.000 2.092 16 R HA -0.066 4.274 4.340 -0.000 0.000 0.231 16 R C 2.001 178.249 176.300 -0.086 0.000 1.119 16 R CA 1.970 58.026 56.100 -0.073 0.000 0.970 16 R CB -0.594 29.690 30.300 -0.026 0.000 0.864 16 R HN 0.508 nan 8.270 nan 0.000 0.440 17 I N 0.144 120.616 120.570 -0.164 0.000 2.500 17 I HA -0.130 4.040 4.170 -0.000 0.000 0.252 17 I C 2.136 178.192 176.117 -0.101 0.000 1.142 17 I CA 0.509 61.698 61.300 -0.184 0.000 1.451 17 I CB -0.173 37.624 38.000 -0.339 0.000 1.093 17 I HN 0.206 nan 8.210 nan 0.000 0.430 18 L N 1.091 122.267 121.223 -0.079 0.000 1.989 18 L HA -0.231 4.109 4.340 -0.000 0.000 0.211 18 L C 2.808 179.670 176.870 -0.014 0.000 1.071 18 L CA 1.762 56.591 54.840 -0.018 0.000 0.749 18 L CB -0.320 41.759 42.059 0.034 0.000 0.890 18 L HN 0.080 nan 8.230 nan 0.000 0.431 19 R N -0.224 120.266 120.500 -0.015 0.000 2.103 19 R HA -0.191 4.149 4.340 -0.000 0.000 0.242 19 R C 2.276 178.573 176.300 -0.005 0.000 1.142 19 R CA 1.418 57.514 56.100 -0.006 0.000 0.960 19 R CB -0.781 29.518 30.300 -0.003 0.000 0.858 19 R HN 0.567 nan 8.270 nan 0.000 0.439 20 A N 0.569 123.382 122.820 -0.012 0.000 1.972 20 A HA -0.154 4.166 4.320 -0.000 0.000 0.219 20 A C 2.371 179.952 177.584 -0.005 0.000 1.169 20 A CA 1.277 53.310 52.037 -0.006 0.000 0.635 20 A CB -0.644 18.350 19.000 -0.010 0.000 0.810 20 A HN 0.435 nan 8.150 nan 0.000 0.446 21 C N -0.588 118.706 119.300 -0.009 0.000 2.473 21 C HA -0.068 4.392 4.460 -0.000 0.000 0.279 21 C C 2.671 177.660 174.990 -0.001 0.000 1.250 21 C CA 1.187 60.203 59.018 -0.004 0.000 1.713 21 C CB -0.999 26.739 27.740 -0.004 0.000 2.066 21 C HN 0.624 nan 8.230 nan 0.000 0.474 22 K N 0.654 121.053 120.400 -0.001 0.000 2.077 22 K HA -0.277 4.043 4.320 -0.000 0.000 0.213 22 K C 1.934 178.534 176.600 0.001 0.000 1.051 22 K CA 1.870 58.157 56.287 -0.000 0.000 0.929 22 K CB -0.410 32.091 32.500 0.000 0.000 0.715 22 K HN 0.590 nan 8.250 nan 0.000 0.451 23 E N 0.221 120.422 120.200 0.002 0.000 2.160 23 E HA -0.193 4.157 4.350 -0.000 0.000 0.195 23 E C 1.661 178.263 176.600 0.002 0.000 0.991 23 E CA 0.780 57.182 56.400 0.003 0.000 0.810 23 E CB 0.121 29.824 29.700 0.004 0.000 0.742 23 E HN 0.069 nan 8.360 nan 0.000 0.466 24 L N -0.829 120.395 121.223 0.001 0.000 2.446 24 L HA 0.143 4.483 4.340 -0.000 0.000 0.219 24 L C 1.204 178.074 176.870 0.000 0.000 1.116 24 L CA 1.374 56.214 54.840 0.001 0.000 0.844 24 L CB 0.105 42.164 42.059 0.001 0.000 0.970 24 L HN 0.243 nan 8.230 nan 0.000 0.457 25 G N 0.408 109.208 108.800 0.000 0.000 2.203 25 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.231 25 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.231 25 G C 0.087 174.986 174.900 -0.001 0.000 1.058 25 G CA 0.175 45.274 45.100 -0.000 0.000 0.781 25 G HN 0.266 nan 8.290 nan 0.000 0.496 26 I N -0.213 120.356 120.570 -0.001 0.000 2.412 26 I HA 0.450 4.620 4.170 -0.000 0.000 0.296 26 I C 0.352 176.468 176.117 -0.003 0.000 0.987 26 I CA -1.159 60.140 61.300 -0.002 0.000 1.180 26 I CB 1.600 39.598 38.000 -0.002 0.000 1.340 26 I HN -0.097 nan 8.210 nan 0.000 0.455 27 K N 3.335 123.733 120.400 -0.004 0.000 2.237 27 K HA 0.388 4.708 4.320 -0.000 0.000 0.270 27 K C -0.039 176.558 176.600 -0.006 0.000 1.015 27 K CA -0.315 55.969 56.287 -0.005 0.000 0.949 27 K CB 0.815 33.312 32.500 -0.006 0.000 0.976 27 K HN 0.707 nan 8.250 nan 0.000 0.472 28 T N -1.978 112.573 114.554 -0.005 0.000 2.888 28 T HA 0.670 5.020 4.350 -0.000 0.000 0.284 28 T C -0.598 174.100 174.700 -0.003 0.000 1.017 28 T CA -0.936 61.164 62.100 -0.001 0.000 1.022 28 T CB 1.107 69.980 68.868 0.009 0.000 1.013 28 T HN 0.102 nan 8.240 nan 0.000 0.465 29 V N 1.665 121.579 119.914 -0.000 0.000 2.483 29 V HA 0.751 4.871 4.120 -0.000 0.000 0.297 29 V C 0.008 176.116 176.094 0.024 0.000 1.027 29 V CA -1.000 61.299 62.300 -0.001 0.000 0.855 29 V CB 1.239 33.049 31.823 -0.022 0.000 0.995 29 V HN 1.305 nan 8.190 nan 0.000 0.424 30 A N 4.808 127.644 122.820 0.027 0.000 2.273 30 A HA 0.807 5.127 4.320 -0.000 0.000 0.315 30 A C -0.347 177.297 177.584 0.099 0.000 1.256 30 A CA -0.586 51.489 52.037 0.062 0.000 0.851 30 A CB 1.304 20.271 19.000 -0.055 0.000 1.172 30 A HN 1.309 nan 8.150 nan 0.000 0.508 31 V N 2.769 122.748 119.914 0.107 0.000 2.407 31 V HA 0.784 4.904 4.120 -0.000 0.000 0.278 31 V C -0.158 176.010 176.094 0.123 0.000 1.037 31 V CA -0.335 61.991 62.300 0.044 0.000 0.900 31 V CB 0.664 32.475 31.823 -0.021 0.000 0.983 31 V HN 1.021 nan 8.190 nan 0.000 0.459 32 H N 2.288 121.324 119.070 -0.058 0.000 2.985 32 H HA 0.710 5.266 4.556 -0.000 0.000 0.360 32 H C -0.446 174.756 175.328 -0.210 0.000 1.221 32 H CA -0.169 55.851 56.048 -0.046 0.000 1.121 32 H CB 1.686 31.474 29.762 0.043 0.000 1.854 32 H HN 0.824 nan 8.280 nan 0.000 0.551 33 S N 0.218 115.834 115.700 -0.139 0.000 2.632 33 S HA 0.089 4.559 4.470 -0.000 0.000 0.271 33 S C 1.275 175.971 174.600 0.160 0.000 1.260 33 S CA -0.058 58.052 58.200 -0.151 0.000 1.010 33 S CB 1.133 64.268 63.200 -0.110 0.000 0.965 33 S HN 0.780 nan 8.310 nan 0.000 0.534 34 S N 0.968 116.709 115.700 0.068 0.000 2.465 34 S HA -0.058 4.412 4.470 -0.000 0.000 0.241 34 S C 1.498 176.221 174.600 0.204 0.000 1.000 34 S CA 0.593 58.874 58.200 0.135 0.000 0.964 34 S CB -0.814 62.412 63.200 0.043 0.000 0.763 34 S HN 1.140 nan 8.310 nan 0.000 0.512 35 A N 0.548 123.524 122.820 0.260 0.000 2.267 35 A HA 0.273 4.593 4.320 -0.000 0.000 0.213 35 A C 1.064 178.881 177.584 0.388 0.000 1.192 35 A CA 0.212 52.452 52.037 0.338 0.000 0.851 35 A CB 0.187 19.453 19.000 0.443 0.000 0.881 35 A HN 0.373 nan 8.150 nan 0.000 0.494 36 D N -0.915 119.714 120.400 0.383 0.000 2.538 36 D HA 0.151 4.791 4.640 -0.000 0.000 0.231 36 D C 1.442 177.826 176.300 0.140 0.000 1.229 36 D CA -0.106 54.094 54.000 0.333 0.000 0.828 36 D CB 0.130 41.157 40.800 0.379 0.000 1.035 36 D HN 0.346 nan 8.370 nan 0.000 0.495 37 R N 0.598 121.150 120.500 0.087 0.000 2.091 37 R HA -0.101 4.239 4.340 -0.000 0.000 0.238 37 R C 0.554 176.789 176.300 -0.109 0.000 1.136 37 R CA 1.230 57.230 56.100 -0.166 0.000 0.959 37 R CB 0.261 30.579 30.300 0.031 0.000 0.856 37 R HN 0.013 nan 8.270 nan 0.000 0.437 38 D N 0.294 120.748 120.400 0.089 0.000 2.328 38 D HA -0.014 4.626 4.640 -0.000 0.000 0.226 38 D C -0.077 176.373 176.300 0.250 0.000 1.066 38 D CA 0.051 54.164 54.000 0.187 0.000 0.861 38 D CB 0.103 41.087 40.800 0.307 0.000 0.912 38 D HN 0.047 nan 8.370 nan 0.000 0.521 39 L N 1.137 122.457 121.223 0.163 0.000 2.506 39 L HA -0.053 4.287 4.340 -0.000 0.000 0.281 39 L C 1.787 178.710 176.870 0.089 0.000 1.228 39 L CA 0.424 55.362 54.840 0.163 0.000 0.850 39 L CB 0.562 42.727 42.059 0.177 0.000 1.110 39 L HN -0.225 nan 8.230 nan 0.000 0.496 40 K N 2.132 122.610 120.400 0.130 0.000 1.991 40 K HA -0.219 4.101 4.320 -0.000 0.000 0.212 40 K C 2.131 178.738 176.600 0.013 0.000 1.049 40 K CA 2.064 58.374 56.287 0.038 0.000 0.932 40 K CB -0.291 32.251 32.500 0.069 0.000 0.717 40 K HN 0.825 nan 8.250 nan 0.000 0.441 41 H N -0.280 118.766 119.070 -0.039 0.000 2.457 41 H HA -0.065 4.491 4.556 -0.000 0.000 0.297 41 H C 1.786 177.085 175.328 -0.048 0.000 1.092 41 H CA 1.571 57.589 56.048 -0.051 0.000 1.309 41 H CB -0.630 29.092 29.762 -0.067 0.000 1.382 41 H HN 0.103 nan 8.280 nan 0.000 0.535 42 V N 1.252 120.766 119.914 -0.666 0.000 2.358 42 V HA -0.210 3.910 4.120 -0.000 0.000 0.246 42 V C 2.760 178.689 176.094 -0.275 0.000 1.047 42 V CA 1.228 63.189 62.300 -0.565 0.000 1.035 42 V CB -0.543 30.992 31.823 -0.480 0.000 0.658 42 V HN 0.235 nan 8.190 nan 0.000 0.452 43 L N -1.004 120.107 121.223 -0.187 0.000 2.275 43 L HA -0.048 4.292 4.340 -0.000 0.000 0.215 43 L C 1.920 178.728 176.870 -0.103 0.000 1.119 43 L CA 1.467 56.229 54.840 -0.129 0.000 0.790 43 L CB -0.893 41.090 42.059 -0.126 0.000 0.919 43 L HN 0.258 nan 8.230 nan 0.000 0.443 44 L N -1.140 120.026 121.223 -0.096 0.000 2.567 44 L HA 0.284 4.624 4.340 -0.000 0.000 0.225 44 L C 1.260 178.101 176.870 -0.049 0.000 1.119 44 L CA -0.078 54.728 54.840 -0.058 0.000 0.871 44 L CB -1.050 40.992 42.059 -0.027 0.000 1.036 44 L HN 0.076 nan 8.230 nan 0.000 0.459 45 A N -0.846 121.929 122.820 -0.075 0.000 2.366 45 A HA 0.140 4.460 4.320 -0.000 0.000 0.249 45 A C 1.100 178.662 177.584 -0.036 0.000 1.084 45 A CA -0.209 51.797 52.037 -0.050 0.000 0.794 45 A CB 0.184 19.145 19.000 -0.065 0.000 1.034 45 A HN 0.239 nan 8.150 nan 0.000 0.491 46 D N 0.175 120.562 120.400 -0.021 0.000 2.117 46 D HA -0.015 4.625 4.640 -0.000 0.000 0.198 46 D C 0.307 176.598 176.300 -0.015 0.000 0.982 46 D CA 1.451 55.442 54.000 -0.016 0.000 0.828 46 D CB 0.293 41.086 40.800 -0.010 0.000 0.967 46 D HN 0.722 nan 8.370 nan 0.000 0.464 47 E N -0.977 119.214 120.200 -0.014 0.000 2.367 47 E HA 0.438 4.788 4.350 -0.000 0.000 0.273 47 E C -1.050 175.547 176.600 -0.005 0.000 0.903 47 E CA -0.430 55.965 56.400 -0.009 0.000 0.764 47 E CB 2.720 32.416 29.700 -0.008 0.000 1.252 47 E HN -0.222 nan 8.360 nan 0.000 0.446 48 T N 0.795 115.355 114.554 0.010 0.000 2.906 48 T HA 0.579 4.929 4.350 -0.000 0.000 0.295 48 T C -1.465 173.268 174.700 0.056 0.000 1.061 48 T CA -0.528 61.600 62.100 0.048 0.000 1.000 48 T CB 1.434 70.338 68.868 0.060 0.000 1.103 48 T HN 0.150 nan 8.240 nan 0.000 0.486 49 V N 1.839 121.791 119.914 0.063 0.000 2.653 49 V HA 0.306 4.426 4.120 -0.000 0.000 0.298 49 V C -0.088 175.854 176.094 -0.253 0.000 1.097 49 V CA -1.185 61.087 62.300 -0.047 0.000 0.908 49 V CB 1.478 33.271 31.823 -0.051 0.000 1.024 49 V HN 1.096 nan 8.190 nan 0.000 0.435 50 C N 6.829 125.916 119.300 -0.354 0.000 2.555 50 C HA 0.458 4.918 4.460 -0.000 0.000 0.385 50 C C 1.706 176.479 174.990 -0.362 0.000 1.296 50 C CA -0.072 58.573 59.018 -0.621 0.000 1.757 50 C CB -1.174 26.309 27.740 -0.429 0.000 2.445 50 C HN 0.897 nan 8.230 nan 0.000 0.571 51 I N 4.317 124.652 120.570 -0.391 0.000 3.956 51 I HA 0.546 4.716 4.170 -0.000 0.000 0.333 51 I C 0.792 176.759 176.117 -0.249 0.000 1.302 51 I CA 0.479 61.612 61.300 -0.277 0.000 1.122 51 I CB -0.445 37.392 38.000 -0.271 0.000 1.013 51 I HN 0.812 nan 8.210 nan 0.000 0.405 52 G N 1.406 110.054 108.800 -0.253 0.000 2.361 52 G HA2 0.150 4.110 3.960 -0.000 0.000 0.305 52 G HA3 0.150 4.110 3.960 -0.000 0.000 0.305 52 G C -3.311 171.486 174.900 -0.170 0.000 1.367 52 G CA -0.867 44.120 45.100 -0.189 0.000 0.951 52 G HN -0.078 nan 8.290 nan 0.000 0.615 53 P HA 0.345 nan 4.420 nan 0.000 0.270 53 P C 1.318 178.543 177.300 -0.125 0.000 1.227 53 P CA 0.794 63.826 63.100 -0.113 0.000 0.788 53 P CB 0.461 32.094 31.700 -0.111 0.000 0.926 54 A N 2.610 125.337 122.820 -0.155 0.000 1.881 54 A HA -0.121 4.199 4.320 -0.000 0.000 0.219 54 A C -1.006 176.501 177.584 -0.127 0.000 1.215 54 A CA 1.589 53.513 52.037 -0.188 0.000 0.648 54 A CB -2.844 15.792 19.000 -0.607 0.000 0.832 54 A HN 0.584 nan 8.150 nan 0.000 0.455 55 P HA 0.055 nan 4.420 nan 0.000 0.258 55 P C 0.627 177.968 177.300 0.068 0.000 1.172 55 P CA 0.997 64.043 63.100 -0.091 0.000 0.762 55 P CB 0.464 32.098 31.700 -0.109 0.000 0.764 56 S N 2.429 118.281 115.700 0.255 0.000 2.387 56 S HA -0.174 4.296 4.470 -0.000 0.000 0.230 56 S C 1.850 176.519 174.600 0.116 0.000 1.035 56 S CA 1.483 59.867 58.200 0.308 0.000 1.014 56 S CB -1.366 62.153 63.200 0.531 0.000 0.836 56 S HN 0.331 nan 8.310 nan 0.000 0.466 57 V N 2.640 122.616 119.914 0.103 0.000 2.317 57 V HA -0.260 3.860 4.120 -0.000 0.000 0.251 57 V C 2.261 178.352 176.094 -0.005 0.000 1.065 57 V CA 2.052 64.382 62.300 0.050 0.000 1.049 57 V CB -0.743 31.102 31.823 0.037 0.000 0.651 57 V HN 0.578 nan 8.190 nan 0.000 0.450 58 K N 0.057 120.438 120.400 -0.031 0.000 2.361 58 K HA 0.127 4.447 4.320 -0.000 0.000 0.194 58 K C 1.976 178.499 176.600 -0.128 0.000 1.032 58 K CA 1.051 57.295 56.287 -0.072 0.000 1.048 58 K CB 0.409 32.862 32.500 -0.077 0.000 0.842 58 K HN 0.678 nan 8.250 nan 0.000 0.526 59 S N 0.060 115.661 115.700 -0.164 0.000 3.036 59 S HA 0.009 4.479 4.470 -0.000 0.000 0.194 59 S C 1.841 176.182 174.600 -0.433 0.000 0.797 59 S CA -0.187 57.804 58.200 -0.349 0.000 0.822 59 S CB -0.815 62.079 63.200 -0.510 0.000 0.810 59 S HN 0.089 nan 8.310 nan 0.000 0.629 60 Y N 2.292 122.420 120.300 -0.286 0.000 2.403 60 Y HA 0.247 4.797 4.550 0.000 0.000 0.291 60 Y C 2.037 177.663 175.900 -0.458 0.000 1.143 60 Y CA 0.649 58.421 58.100 -0.548 0.000 1.257 60 Y CB -0.532 37.210 38.460 -1.197 0.000 0.984 60 Y HN 0.226 nan 8.280 nan 0.000 0.550 61 L N -0.674 120.449 121.223 -0.168 0.000 2.554 61 L HA 0.063 4.403 4.340 -0.000 0.000 0.225 61 L C 0.719 177.506 176.870 -0.138 0.000 1.104 61 L CA -0.052 54.715 54.840 -0.122 0.000 0.866 61 L CB -0.172 41.887 42.059 0.001 0.000 1.047 61 L HN 0.010 nan 8.230 nan 0.000 0.468 62 N N 1.754 120.368 118.700 -0.143 0.000 2.605 62 N HA 0.040 4.780 4.740 -0.000 0.000 0.282 62 N C 1.105 176.556 175.510 -0.098 0.000 1.206 62 N CA 0.237 53.222 53.050 -0.108 0.000 1.074 62 N CB 0.047 38.465 38.487 -0.114 0.000 1.434 62 N HN 0.200 nan 8.380 nan 0.000 0.506 63 I N 3.277 123.800 120.570 -0.078 0.000 2.087 63 I HA -0.281 3.889 4.170 -0.000 0.000 0.240 63 I C -0.612 175.562 176.117 0.094 0.000 1.054 63 I CA 1.330 62.631 61.300 0.002 0.000 1.311 63 I CB -0.937 37.109 38.000 0.077 0.000 1.024 63 I HN 0.422 nan 8.210 nan 0.000 0.402 64 P HA -0.204 nan 4.420 nan 0.000 0.215 64 P C 1.418 178.747 177.300 0.049 0.000 1.157 64 P CA 2.174 65.313 63.100 0.064 0.000 0.874 64 P CB -0.136 31.584 31.700 0.033 0.000 0.790 65 A N -0.405 122.418 122.820 0.004 0.000 1.865 65 A HA -0.197 4.123 4.320 -0.000 0.000 0.217 65 A C 2.313 179.893 177.584 -0.008 0.000 1.191 65 A CA 1.765 53.788 52.037 -0.024 0.000 0.623 65 A CB -1.693 17.260 19.000 -0.077 0.000 0.826 65 A HN 0.111 nan 8.150 nan 0.000 0.444 66 I N 0.042 120.614 120.570 0.002 0.000 2.118 66 I HA -0.299 3.871 4.170 -0.000 0.000 0.241 66 I C 2.362 178.537 176.117 0.098 0.000 1.070 66 I CA 1.427 62.753 61.300 0.043 0.000 1.327 66 I CB -0.373 37.679 38.000 0.087 0.000 1.034 66 I HN 0.331 nan 8.210 nan 0.000 0.405 67 I N -0.070 120.604 120.570 0.173 0.000 2.163 67 I HA -0.344 3.826 4.170 -0.000 0.000 0.243 67 I C 2.779 179.002 176.117 0.176 0.000 1.085 67 I CA 1.670 63.098 61.300 0.214 0.000 1.347 67 I CB -0.721 37.437 38.000 0.263 0.000 1.044 67 I HN 0.275 nan 8.210 nan 0.000 0.408 68 S N 0.569 116.338 115.700 0.116 0.000 2.387 68 S HA -0.208 4.262 4.470 -0.000 0.000 0.230 68 S C 2.193 176.826 174.600 0.055 0.000 1.035 68 S CA 1.528 59.782 58.200 0.090 0.000 1.014 68 S CB -0.185 63.042 63.200 0.046 0.000 0.836 68 S HN 0.510 nan 8.310 nan 0.000 0.466 69 A N 1.190 124.017 122.820 0.011 0.000 1.908 69 A HA 0.097 4.417 4.320 -0.000 0.000 0.218 69 A C 2.446 179.993 177.584 -0.062 0.000 1.181 69 A CA 1.958 53.978 52.037 -0.027 0.000 0.627 69 A CB -1.337 17.638 19.000 -0.042 0.000 0.818 69 A HN 0.764 nan 8.150 nan 0.000 0.445 70 A N -0.622 122.112 122.820 -0.145 0.000 1.969 70 A HA -0.132 4.188 4.320 -0.000 0.000 0.218 70 A C 1.932 179.427 177.584 -0.148 0.000 1.169 70 A CA 1.542 53.356 52.037 -0.371 0.000 0.635 70 A CB -0.412 17.928 19.000 -1.100 0.000 0.810 70 A HN 0.653 nan 8.150 nan 0.000 0.445 71 E N -0.290 119.985 120.200 0.125 0.000 2.007 71 E HA -0.193 4.157 4.350 -0.000 0.000 0.194 71 E C 2.039 178.712 176.600 0.123 0.000 0.999 71 E CA 1.541 58.098 56.400 0.262 0.000 0.811 71 E CB -0.394 29.438 29.700 0.221 0.000 0.762 71 E HN 0.823 nan 8.360 nan 0.000 0.450 72 I N 0.218 120.829 120.570 0.068 0.000 2.423 72 I HA -0.205 3.965 4.170 -0.000 0.000 0.254 72 I C 2.240 178.372 176.117 0.025 0.000 1.151 72 I CA 1.980 63.303 61.300 0.039 0.000 1.421 72 I CB -0.394 37.619 38.000 0.022 0.000 1.079 72 I HN 0.021 nan 8.210 nan 0.000 0.431 73 T N -1.935 112.625 114.554 0.011 0.000 3.067 73 T HA 0.366 4.716 4.350 -0.000 0.000 0.257 73 T C 1.651 176.356 174.700 0.008 0.000 1.105 73 T CA 0.373 62.472 62.100 -0.002 0.000 1.104 73 T CB -0.150 68.702 68.868 -0.026 0.000 0.925 73 T HN 0.859 nan 8.240 nan 0.000 0.498 74 G N 1.489 110.307 108.800 0.031 0.000 2.137 74 G HA2 0.013 3.973 3.960 -0.000 0.000 0.237 74 G HA3 0.013 3.973 3.960 -0.000 0.000 0.237 74 G C 0.205 175.125 174.900 0.034 0.000 1.002 74 G CA -0.149 44.984 45.100 0.055 0.000 0.702 74 G HN 1.092 nan 8.290 nan 0.000 0.515 75 A N -0.762 122.037 122.820 -0.036 0.000 2.386 75 A HA 0.729 5.049 4.320 -0.000 0.000 0.248 75 A C 1.517 179.059 177.584 -0.070 0.000 1.082 75 A CA 0.528 52.507 52.037 -0.097 0.000 0.789 75 A CB 0.880 19.764 19.000 -0.194 0.000 1.025 75 A HN 1.107 nan 8.150 nan 0.000 0.490 76 V N 0.282 120.183 119.914 -0.022 0.000 2.949 76 V HA 0.397 4.517 4.120 -0.000 0.000 0.245 76 V C 1.099 177.224 176.094 0.051 0.000 1.086 76 V CA 1.208 63.553 62.300 0.075 0.000 1.097 76 V CB -1.329 30.526 31.823 0.052 0.000 0.762 76 V HN 1.101 nan 8.190 nan 0.000 0.470 77 A N -0.053 122.735 122.820 -0.052 0.000 2.485 77 A HA 0.863 5.183 4.320 -0.000 0.000 0.292 77 A C -1.137 176.384 177.584 -0.106 0.000 1.147 77 A CA -0.565 51.438 52.037 -0.055 0.000 0.750 77 A CB 1.844 20.816 19.000 -0.046 0.000 1.331 77 A HN 0.149 nan 8.150 nan 0.000 0.419 78 I N 1.328 121.839 120.570 -0.098 0.000 2.534 78 I HA 0.272 4.442 4.170 -0.000 0.000 0.288 78 I C -1.228 174.813 176.117 -0.127 0.000 1.077 78 I CA -0.440 60.816 61.300 -0.073 0.000 1.051 78 I CB 1.984 39.974 38.000 -0.018 0.000 1.234 78 I HN 0.719 nan 8.210 nan 0.000 0.425 79 H N 8.577 127.573 119.070 -0.124 0.000 2.623 79 H HA 0.336 4.892 4.556 -0.000 0.000 0.299 79 H C -2.049 173.219 175.328 -0.099 0.000 1.052 79 H CA -2.328 53.618 56.048 -0.170 0.000 1.231 79 H CB 1.921 31.597 29.762 -0.143 0.000 1.389 79 H HN 0.290 nan 8.280 nan 0.000 0.469 80 P HA -0.036 nan 4.420 nan 0.000 0.220 80 P C 0.904 178.329 177.300 0.208 0.000 1.148 80 P CA 1.578 64.817 63.100 0.232 0.000 0.803 80 P CB 0.649 32.436 31.700 0.144 0.000 0.782 81 G N 0.298 109.280 108.800 0.304 0.000 2.531 81 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.274 81 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.274 81 G C -0.636 174.284 174.900 0.032 0.000 1.159 81 G CA 0.333 45.395 45.100 -0.063 0.000 0.969 81 G HN 0.479 nan 8.290 nan 0.000 0.554 82 Y N -1.875 118.444 120.300 0.031 0.000 2.576 82 Y HA 0.609 5.159 4.550 -0.000 0.000 0.346 82 Y C 0.962 176.844 175.900 -0.030 0.000 1.018 82 Y CA -1.247 56.864 58.100 0.017 0.000 1.050 82 Y CB 1.288 39.745 38.460 -0.006 0.000 1.280 82 Y HN 2.454 nan 8.280 nan 0.000 0.474 83 G N 0.532 109.479 108.800 0.246 0.000 2.321 83 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.287 83 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.287 83 G C -0.587 174.212 174.900 -0.167 0.000 1.018 83 G CA 1.339 46.458 45.100 0.031 0.000 0.855 83 G HN 0.652 nan 8.290 nan 0.000 0.507 84 F N -2.132 117.861 119.950 0.071 0.000 1.981 84 F HA 0.525 5.052 4.527 -0.000 0.000 0.215 84 F C 1.564 177.383 175.800 0.031 0.000 1.260 84 F CA -0.143 57.874 58.000 0.027 0.000 1.284 84 F CB -0.490 38.493 39.000 -0.029 0.000 1.898 84 F HN -0.026 nan 8.300 nan 0.000 0.175 85 L N 0.759 122.136 121.223 0.257 0.000 2.640 85 L HA 0.175 4.515 4.340 -0.000 0.000 0.230 85 L C 2.055 179.132 176.870 0.346 0.000 1.123 85 L CA 0.689 55.603 54.840 0.122 0.000 0.900 85 L CB -1.268 40.578 42.059 -0.354 0.000 1.146 85 L HN 0.262 nan 8.230 nan 0.000 0.484 86 S N -0.457 115.450 115.700 0.344 0.000 2.392 86 S HA -0.235 4.235 4.470 -0.000 0.000 0.232 86 S C 1.233 176.059 174.600 0.377 0.000 1.041 86 S CA 1.392 59.814 58.200 0.371 0.000 1.026 86 S CB -0.285 63.068 63.200 0.255 0.000 0.845 86 S HN 0.538 nan 8.310 nan 0.000 0.465 87 E N 1.210 121.570 120.200 0.268 0.000 2.815 87 E HA 0.247 4.597 4.350 -0.000 0.000 0.211 87 E C -0.647 176.052 176.600 0.164 0.000 1.004 87 E CA -0.276 56.246 56.400 0.204 0.000 1.173 87 E CB 0.236 30.022 29.700 0.142 0.000 1.163 87 E HN 0.283 nan 8.360 nan 0.000 0.449 88 N N 0.732 119.553 118.700 0.202 0.000 2.469 88 N HA 0.173 4.913 4.740 -0.000 0.000 0.253 88 N C 0.492 176.051 175.510 0.081 0.000 0.970 88 N CA -0.001 53.140 53.050 0.151 0.000 0.940 88 N CB 1.518 40.121 38.487 0.193 0.000 1.128 88 N HN 0.130 nan 8.380 nan 0.000 0.503 89 A N 4.284 127.118 122.820 0.023 0.000 1.972 89 A HA -0.172 4.148 4.320 -0.000 0.000 0.219 89 A C 1.742 179.287 177.584 -0.064 0.000 1.169 89 A CA 1.209 53.216 52.037 -0.050 0.000 0.635 89 A CB -0.176 18.807 19.000 -0.030 0.000 0.810 89 A HN 0.686 nan 8.150 nan 0.000 0.446 90 N N -0.678 118.027 118.700 0.008 0.000 2.062 90 N HA -0.121 4.619 4.740 -0.000 0.000 0.191 90 N C 1.394 176.927 175.510 0.038 0.000 1.042 90 N CA 1.391 54.455 53.050 0.022 0.000 0.845 90 N CB -0.757 37.764 38.487 0.056 0.000 1.024 90 N HN 0.428 nan 8.380 nan 0.000 0.424 91 F N 1.884 121.784 119.950 -0.084 0.000 2.087 91 F HA -0.226 4.301 4.527 -0.000 0.000 0.299 91 F C 2.180 177.835 175.800 -0.242 0.000 1.100 91 F CA 1.477 59.427 58.000 -0.083 0.000 1.226 91 F CB -0.833 38.168 39.000 0.003 0.000 0.983 91 F HN 0.075 nan 8.300 nan 0.000 0.479 92 A N -0.534 121.920 122.820 -0.610 0.000 1.902 92 A HA -0.203 4.117 4.320 -0.000 0.000 0.217 92 A C 2.266 179.513 177.584 -0.562 0.000 1.181 92 A CA 1.676 53.039 52.037 -1.123 0.000 0.623 92 A CB -0.942 17.358 19.000 -1.168 0.000 0.818 92 A HN 0.540 nan 8.150 nan 0.000 0.443 93 E N -0.628 119.378 120.200 -0.323 0.000 2.017 93 E HA -0.262 4.088 4.350 -0.000 0.000 0.193 93 E C 2.306 178.814 176.600 -0.153 0.000 0.997 93 E CA 1.580 57.867 56.400 -0.189 0.000 0.804 93 E CB -0.149 29.483 29.700 -0.113 0.000 0.757 93 E HN 0.735 nan 8.360 nan 0.000 0.448 94 Q N -0.128 119.600 119.800 -0.120 0.000 2.135 94 Q HA -0.164 4.176 4.340 -0.000 0.000 0.204 94 Q C 2.230 178.179 176.000 -0.086 0.000 0.981 94 Q CA 1.401 57.166 55.803 -0.064 0.000 0.856 94 Q CB 0.052 28.803 28.738 0.023 0.000 0.902 94 Q HN 0.155 nan 8.270 nan 0.000 0.425 95 V N 0.800 120.596 119.914 -0.196 0.000 2.231 95 V HA -0.340 3.780 4.120 -0.000 0.000 0.248 95 V C 1.989 178.075 176.094 -0.013 0.000 1.054 95 V CA 2.258 64.490 62.300 -0.113 0.000 1.015 95 V CB -0.482 31.183 31.823 -0.264 0.000 0.638 95 V HN 0.398 nan 8.190 nan 0.000 0.444 96 E N -0.358 119.794 120.200 -0.079 0.000 2.023 96 E HA -0.281 4.069 4.350 -0.000 0.000 0.196 96 E C 2.457 179.004 176.600 -0.087 0.000 1.003 96 E CA 1.766 58.130 56.400 -0.059 0.000 0.809 96 E CB -0.301 29.351 29.700 -0.079 0.000 0.755 96 E HN 0.453 nan 8.360 nan 0.000 0.449 97 R N 0.529 120.972 120.500 -0.095 0.000 2.117 97 R HA -0.131 4.209 4.340 -0.000 0.000 0.243 97 R C 1.580 177.800 176.300 -0.133 0.000 1.143 97 R CA 1.854 57.896 56.100 -0.096 0.000 0.968 97 R CB -0.196 30.058 30.300 -0.077 0.000 0.863 97 R HN 0.062 nan 8.270 nan 0.000 0.444 98 S N -0.509 115.099 115.700 -0.154 0.000 2.660 98 S HA 0.176 4.646 4.470 -0.000 0.000 0.223 98 S C 1.090 175.358 174.600 -0.554 0.000 0.963 98 S CA 0.410 58.450 58.200 -0.266 0.000 0.932 98 S CB 0.573 63.674 63.200 -0.165 0.000 0.775 98 S HN 0.701 nan 8.310 nan 0.000 0.531 99 G N 0.546 109.115 108.800 -0.386 0.000 2.141 99 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.242 99 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.242 99 G C -0.104 174.611 174.900 -0.309 0.000 0.982 99 G CA -0.201 44.682 45.100 -0.361 0.000 0.662 99 G HN 0.410 nan 8.290 nan 0.000 0.527 100 F N -0.495 119.436 119.950 -0.033 0.000 2.461 100 F HA 0.784 5.311 4.527 -0.000 0.000 0.337 100 F C 0.989 176.774 175.800 -0.025 0.000 1.079 100 F CA -1.807 56.178 58.000 -0.026 0.000 1.032 100 F CB 0.772 39.758 39.000 -0.023 0.000 1.327 100 F HN -0.052 nan 8.300 nan 0.000 0.491 101 I N 1.271 121.967 120.570 0.211 0.000 2.339 101 I HA 0.179 4.349 4.170 -0.000 0.000 0.290 101 I C -1.139 175.027 176.117 0.082 0.000 0.994 101 I CA -0.485 60.873 61.300 0.097 0.000 1.191 101 I CB 0.986 39.009 38.000 0.040 0.000 1.343 101 I HN 0.304 nan 8.210 nan 0.000 0.458 102 F N 8.087 127.979 119.950 -0.096 0.000 2.405 102 F HA 0.486 5.013 4.527 -0.000 0.000 0.355 102 F C 0.013 175.718 175.800 -0.159 0.000 1.121 102 F CA -0.575 57.334 58.000 -0.151 0.000 1.112 102 F CB 0.714 39.603 39.000 -0.184 0.000 1.126 102 F HN 0.232 nan 8.300 nan 0.000 0.481 103 I N 7.175 127.360 120.570 -0.641 0.000 2.278 103 I HA 0.456 4.626 4.170 -0.000 0.000 0.300 103 I C 0.588 176.202 176.117 -0.838 0.000 1.174 103 I CA 0.323 61.240 61.300 -0.637 0.000 1.347 103 I CB -0.736 36.849 38.000 -0.692 0.000 1.473 103 I HN 0.791 nan 8.210 nan 0.000 0.595 104 G N 7.055 115.591 108.800 -0.440 0.000 2.323 104 G HA2 0.296 4.256 3.960 -0.000 0.000 0.291 104 G HA3 0.296 4.256 3.960 -0.000 0.000 0.291 104 G C -3.280 171.594 174.900 -0.044 0.000 1.278 104 G CA -0.581 44.392 45.100 -0.212 0.000 0.860 104 G HN 0.194 nan 8.290 nan 0.000 0.504 105 P HA 0.401 nan 4.420 nan 0.000 0.306 105 P C -0.799 176.480 177.300 -0.034 0.000 1.309 105 P CA -0.474 62.490 63.100 -0.228 0.000 0.759 105 P CB 0.924 32.341 31.700 -0.470 0.000 1.314 106 K N -0.392 119.954 120.400 -0.091 0.000 2.249 106 K HA 0.331 4.651 4.320 -0.000 0.000 0.280 106 K C 1.423 177.979 176.600 -0.072 0.000 1.033 106 K CA -0.171 56.074 56.287 -0.070 0.000 0.946 106 K CB 0.639 33.102 32.500 -0.061 0.000 1.005 106 K HN 0.359 nan 8.250 nan 0.000 0.469 107 A N 3.217 125.964 122.820 -0.122 0.000 1.927 107 A HA -0.273 4.047 4.320 -0.000 0.000 0.220 107 A C 2.013 179.565 177.584 -0.054 0.000 1.185 107 A CA 1.897 53.862 52.037 -0.119 0.000 0.639 107 A CB -0.432 18.475 19.000 -0.155 0.000 0.820 107 A HN 0.968 nan 8.150 nan 0.000 0.451 108 E N -1.104 119.071 120.200 -0.042 0.000 2.049 108 E HA -0.207 4.143 4.350 -0.000 0.000 0.198 108 E C 2.060 178.663 176.600 0.004 0.000 1.007 108 E CA 1.953 58.343 56.400 -0.017 0.000 0.809 108 E CB -0.207 29.484 29.700 -0.016 0.000 0.749 108 E HN 0.644 nan 8.360 nan 0.000 0.450 109 T N 1.079 115.641 114.554 0.014 0.000 2.833 109 T HA -0.106 4.244 4.350 -0.000 0.000 0.269 109 T C 1.872 176.615 174.700 0.072 0.000 1.054 109 T CA 0.979 63.113 62.100 0.057 0.000 1.135 109 T CB -0.095 68.819 68.868 0.076 0.000 0.869 109 T HN 0.197 nan 8.240 nan 0.000 0.466 110 I N 0.647 121.245 120.570 0.048 0.000 2.353 110 I HA -0.103 4.067 4.170 -0.000 0.000 0.248 110 I C 2.673 178.815 176.117 0.042 0.000 1.119 110 I CA 1.109 62.444 61.300 0.058 0.000 1.417 110 I CB -0.307 37.715 38.000 0.037 0.000 1.078 110 I HN 0.178 nan 8.210 nan 0.000 0.421 111 R N 0.637 121.152 120.500 0.024 0.000 2.057 111 R HA -0.126 4.214 4.340 -0.000 0.000 0.229 111 R C 2.334 178.651 176.300 0.027 0.000 1.136 111 R CA 1.037 57.150 56.100 0.021 0.000 0.952 111 R CB -0.710 29.596 30.300 0.010 0.000 0.848 111 R HN 0.165 nan 8.270 nan 0.000 0.430 112 L N 0.702 121.941 121.223 0.027 0.000 2.064 112 L HA -0.215 4.125 4.340 -0.000 0.000 0.216 112 L C 1.826 178.716 176.870 0.035 0.000 1.077 112 L CA 1.884 56.741 54.840 0.029 0.000 0.766 112 L CB -0.172 41.904 42.059 0.030 0.000 0.890 112 L HN 0.197 nan 8.230 nan 0.000 0.435 113 M N -1.114 118.511 119.600 0.041 0.000 2.502 113 M HA 0.191 4.671 4.480 -0.000 0.000 0.243 113 M C 1.874 178.201 176.300 0.046 0.000 1.130 113 M CA 0.866 56.191 55.300 0.042 0.000 1.055 113 M CB -1.069 31.546 32.600 0.023 0.000 1.457 113 M HN 0.414 nan 8.290 nan 0.000 0.488 114 G N -0.027 108.798 108.800 0.041 0.000 2.985 114 G HA2 -0.046 3.914 3.960 -0.000 0.000 0.209 114 G HA3 -0.046 3.914 3.960 -0.000 0.000 0.209 114 G C -0.180 174.739 174.900 0.032 0.000 1.165 114 G CA -0.004 45.118 45.100 0.037 0.000 0.776 114 G HN 0.393 nan 8.290 nan 0.000 0.541 115 D N -0.125 120.296 120.400 0.036 0.000 2.414 115 D HA 0.276 4.916 4.640 -0.000 0.000 0.232 115 D C 1.559 177.887 176.300 0.046 0.000 1.070 115 D CA -0.655 53.366 54.000 0.034 0.000 0.839 115 D CB 0.975 41.794 40.800 0.030 0.000 1.079 115 D HN 0.096 nan 8.370 nan 0.000 0.521 116 K N 1.778 122.200 120.400 0.038 0.000 2.144 116 K HA -0.216 4.104 4.320 -0.000 0.000 0.209 116 K C 1.469 178.109 176.600 0.066 0.000 1.047 116 K CA 1.359 57.673 56.287 0.044 0.000 0.927 116 K CB -0.316 32.196 32.500 0.020 0.000 0.716 116 K HN 0.260 nan 8.250 nan 0.000 0.454 117 V N 1.744 121.689 119.914 0.052 0.000 2.300 117 V HA -0.219 3.901 4.120 -0.000 0.000 0.241 117 V C 2.678 178.804 176.094 0.053 0.000 1.034 117 V CA 1.865 64.196 62.300 0.051 0.000 1.021 117 V CB -0.345 31.500 31.823 0.036 0.000 0.662 117 V HN 0.517 nan 8.190 nan 0.000 0.458 118 S N 1.597 117.322 115.700 0.043 0.000 2.392 118 S HA -0.278 4.192 4.470 -0.000 0.000 0.232 118 S C 2.038 176.661 174.600 0.039 0.000 1.041 118 S CA 1.830 60.051 58.200 0.035 0.000 1.026 118 S CB -0.748 62.470 63.200 0.030 0.000 0.845 118 S HN 0.604 nan 8.310 nan 0.000 0.465 119 A N 2.322 125.179 122.820 0.062 0.000 1.841 119 A HA 0.122 4.442 4.320 -0.000 0.000 0.214 119 A C 2.309 179.931 177.584 0.062 0.000 1.195 119 A CA 1.419 53.501 52.037 0.074 0.000 0.611 119 A CB -0.922 18.174 19.000 0.161 0.000 0.835 119 A HN 0.559 nan 8.150 nan 0.000 0.443 120 I N -0.025 120.622 120.570 0.128 0.000 2.151 120 I HA -0.367 3.803 4.170 -0.000 0.000 0.243 120 I C 3.006 179.150 176.117 0.045 0.000 1.080 120 I CA 1.300 62.675 61.300 0.124 0.000 1.339 120 I CB -0.644 37.445 38.000 0.149 0.000 1.039 120 I HN 0.407 nan 8.210 nan 0.000 0.409 121 A N 1.017 123.860 122.820 0.039 0.000 1.873 121 A HA -0.250 4.070 4.320 -0.000 0.000 0.218 121 A C 2.579 180.162 177.584 -0.001 0.000 1.193 121 A CA 2.363 54.413 52.037 0.021 0.000 0.629 121 A CB -0.994 18.020 19.000 0.023 0.000 0.826 121 A HN 0.469 nan 8.150 nan 0.000 0.447 122 A N -1.655 121.159 122.820 -0.011 0.000 1.933 122 A HA -0.110 4.210 4.320 -0.000 0.000 0.218 122 A C 2.173 179.720 177.584 -0.062 0.000 1.175 122 A CA 2.128 54.149 52.037 -0.027 0.000 0.628 122 A CB -0.442 18.544 19.000 -0.024 0.000 0.814 122 A HN 0.496 nan 8.150 nan 0.000 0.444 123 M N -0.831 118.705 119.600 -0.107 0.000 2.319 123 M HA -0.028 4.452 4.480 -0.000 0.000 0.265 123 M C 1.756 177.996 176.300 -0.101 0.000 1.068 123 M CA 1.452 56.644 55.300 -0.181 0.000 1.118 123 M CB -0.119 32.218 32.600 -0.438 0.000 1.395 123 M HN 0.307 nan 8.290 nan 0.000 0.435 124 K N -0.819 119.554 120.400 -0.045 0.000 2.296 124 K HA -0.048 4.272 4.320 -0.000 0.000 0.200 124 K C 1.935 178.522 176.600 -0.021 0.000 1.048 124 K CA 0.712 56.990 56.287 -0.015 0.000 0.966 124 K CB 0.037 32.546 32.500 0.014 0.000 0.754 124 K HN 0.185 nan 8.250 nan 0.000 0.466 125 K N 0.410 120.794 120.400 -0.026 0.000 2.062 125 K HA -0.007 4.313 4.320 -0.000 0.000 0.205 125 K C 1.974 178.552 176.600 -0.035 0.000 1.051 125 K CA 1.112 57.386 56.287 -0.022 0.000 0.941 125 K CB 0.001 32.492 32.500 -0.016 0.000 0.719 125 K HN 0.109 nan 8.250 nan 0.000 0.440 126 A N 0.260 123.049 122.820 -0.052 0.000 2.121 126 A HA 0.041 4.361 4.320 -0.000 0.000 0.218 126 A C 1.145 178.675 177.584 -0.089 0.000 1.154 126 A CA 1.323 53.318 52.037 -0.070 0.000 0.679 126 A CB -0.399 18.551 19.000 -0.084 0.000 0.795 126 A HN 0.498 nan 8.150 nan 0.000 0.458 127 G N -1.419 107.335 108.800 -0.076 0.000 2.255 127 G HA2 -0.100 3.860 3.960 -0.000 0.000 0.239 127 G HA3 -0.100 3.860 3.960 -0.000 0.000 0.239 127 G C -0.139 174.701 174.900 -0.101 0.000 1.083 127 G CA -0.013 45.044 45.100 -0.072 0.000 0.826 127 G HN 0.792 nan 8.290 nan 0.000 0.493 128 V N 1.685 121.538 119.914 -0.101 0.000 2.439 128 V HA 0.474 4.594 4.120 -0.000 0.000 0.282 128 V C -1.353 174.757 176.094 0.027 0.000 1.039 128 V CA -1.614 60.631 62.300 -0.093 0.000 0.913 128 V CB 1.559 33.279 31.823 -0.172 0.000 0.983 128 V HN 0.273 nan 8.190 nan 0.000 0.460 129 P HA 0.099 nan 4.420 nan 0.000 0.260 129 P C -0.539 176.917 177.300 0.261 0.000 1.207 129 P CA 0.127 63.310 63.100 0.139 0.000 0.780 129 P CB 0.089 31.854 31.700 0.108 0.000 0.789 130 C N 3.106 122.556 119.300 0.249 0.000 2.595 130 C HA 0.364 4.824 4.460 -0.000 0.000 0.338 130 C C 0.510 175.750 174.990 0.416 0.000 1.219 130 C CA -0.723 58.497 59.018 0.337 0.000 1.811 130 C CB 2.000 29.896 27.740 0.259 0.000 2.313 130 C HN 0.344 nan 8.230 nan 0.000 0.499 131 V N 4.190 124.349 119.914 0.408 0.000 2.493 131 V HA 0.115 4.235 4.120 -0.000 0.000 0.292 131 V C -1.763 174.446 176.094 0.191 0.000 1.016 131 V CA -0.329 62.155 62.300 0.306 0.000 1.097 131 V CB -0.227 31.663 31.823 0.112 0.000 0.947 131 V HN 0.757 nan 8.190 nan 0.000 0.479 132 P HA 0.523 nan 4.420 nan 0.000 0.275 132 P C 0.163 177.488 177.300 0.041 0.000 1.227 132 P CA 0.222 63.386 63.100 0.106 0.000 0.781 132 P CB 1.221 32.987 31.700 0.110 0.000 0.906 133 G N -0.233 108.588 108.800 0.035 0.000 2.619 133 G HA2 0.350 4.310 3.960 -0.000 0.000 0.305 133 G HA3 0.350 4.310 3.960 -0.000 0.000 0.305 133 G C 0.703 175.608 174.900 0.009 0.000 1.330 133 G CA -0.025 45.083 45.100 0.013 0.000 0.789 133 G HN 0.338 nan 8.290 nan 0.000 0.487 134 S N -0.535 115.166 115.700 0.002 0.000 2.419 134 S HA -0.055 4.415 4.470 -0.000 0.000 0.235 134 S C 0.656 175.262 174.600 0.010 0.000 1.019 134 S CA 1.566 59.767 58.200 0.001 0.000 0.982 134 S CB -0.297 62.902 63.200 -0.002 0.000 0.789 134 S HN 0.736 nan 8.310 nan 0.000 0.490 135 D N 1.798 122.208 120.400 0.017 0.000 2.737 135 D HA 0.062 4.702 4.640 -0.000 0.000 0.238 135 D C 0.404 176.714 176.300 0.016 0.000 1.157 135 D CA 1.629 55.641 54.000 0.021 0.000 0.694 135 D CB -1.597 39.218 40.800 0.024 0.000 1.021 135 D HN 1.025 nan 8.370 nan 0.000 0.420 141 D N 0.590 120.994 120.400 0.007 0.000 2.210 141 D HA 0.327 4.967 4.640 -0.000 0.000 0.249 141 D C 0.899 177.205 176.300 0.011 0.000 1.078 141 D CA -0.099 53.906 54.000 0.008 0.000 0.875 141 D CB 1.270 42.075 40.800 0.008 0.000 1.175 141 D HN 0.092 nan 8.370 nan 0.000 0.440 142 M N 1.740 121.348 119.600 0.012 0.000 2.306 142 M HA 0.164 4.644 4.480 -0.000 0.000 0.292 142 M C 0.735 177.047 176.300 0.019 0.000 1.018 142 M CA -0.308 55.002 55.300 0.016 0.000 1.007 142 M CB 0.800 33.408 32.600 0.014 0.000 1.510 142 M HN 0.155 nan 8.290 nan 0.000 0.537 143 D N 1.150 121.560 120.400 0.016 0.000 2.202 143 D HA 0.019 4.659 4.640 -0.000 0.000 0.214 143 D C 1.952 178.263 176.300 0.018 0.000 0.967 143 D CA 1.161 55.172 54.000 0.017 0.000 0.871 143 D CB 0.431 41.239 40.800 0.013 0.000 1.020 143 D HN 0.106 nan 8.370 nan 0.000 0.474 144 K N 0.122 120.531 120.400 0.015 0.000 2.005 144 K HA 0.027 4.347 4.320 -0.000 0.000 0.206 144 K C 1.885 178.493 176.600 0.014 0.000 1.044 144 K CA 0.490 56.786 56.287 0.014 0.000 0.942 144 K CB -0.030 32.477 32.500 0.011 0.000 0.727 144 K HN 0.080 nan 8.250 nan 0.000 0.439 145 N N 1.134 119.841 118.700 0.012 0.000 2.187 145 N HA -0.251 4.489 4.740 -0.000 0.000 0.194 145 N C 1.805 177.324 175.510 0.016 0.000 1.002 145 N CA 1.430 54.486 53.050 0.010 0.000 0.882 145 N CB -0.117 38.377 38.487 0.012 0.000 1.003 145 N HN 0.339 nan 8.380 nan 0.000 0.443 146 R N 0.759 121.277 120.500 0.029 0.000 2.127 146 R HA 0.111 4.451 4.340 -0.000 0.000 0.217 146 R C 1.995 178.322 176.300 0.046 0.000 1.074 146 R CA 1.050 57.181 56.100 0.052 0.000 0.991 146 R CB -0.382 29.959 30.300 0.067 0.000 0.895 146 R HN 0.010 nan 8.270 nan 0.000 0.450 147 A N 2.298 125.137 122.820 0.031 0.000 2.019 147 A HA -0.065 4.255 4.320 -0.000 0.000 0.219 147 A C 2.158 179.749 177.584 0.011 0.000 1.164 147 A CA 1.159 53.212 52.037 0.027 0.000 0.644 147 A CB -0.521 18.492 19.000 0.022 0.000 0.805 147 A HN 0.518 nan 8.150 nan 0.000 0.449 148 I N -0.784 119.784 120.570 -0.004 0.000 2.193 148 I HA -0.143 4.027 4.170 -0.000 0.000 0.240 148 I C 2.513 178.597 176.117 -0.055 0.000 1.084 148 I CA 1.462 62.750 61.300 -0.020 0.000 1.365 148 I CB -0.372 37.616 38.000 -0.020 0.000 1.064 148 I HN 0.289 nan 8.210 nan 0.000 0.410 149 A N 0.967 123.733 122.820 -0.091 0.000 1.997 149 A HA -0.323 3.997 4.320 -0.000 0.000 0.221 149 A C 2.334 179.794 177.584 -0.207 0.000 1.172 149 A CA 2.306 54.206 52.037 -0.228 0.000 0.645 149 A CB -0.703 18.135 19.000 -0.271 0.000 0.813 149 A HN 0.575 nan 8.150 nan 0.000 0.454 150 K N -0.707 119.668 120.400 -0.042 0.000 2.057 150 K HA -0.102 4.218 4.320 -0.000 0.000 0.206 150 K C 2.364 178.968 176.600 0.006 0.000 1.050 150 K CA 1.159 57.467 56.287 0.034 0.000 0.935 150 K CB -0.173 32.369 32.500 0.070 0.000 0.715 150 K HN 0.355 nan 8.250 nan 0.000 0.439 151 R N 0.919 121.414 120.500 -0.007 0.000 2.096 151 R HA -0.095 4.245 4.340 -0.000 0.000 0.235 151 R C 1.982 178.276 176.300 -0.009 0.000 1.127 151 R CA 1.356 57.456 56.100 -0.000 0.000 0.968 151 R CB -0.226 30.075 30.300 0.001 0.000 0.861 151 R HN 0.308 nan 8.270 nan 0.000 0.440 152 I N -0.237 120.303 120.570 -0.051 0.000 2.233 152 I HA -0.022 4.148 4.170 -0.000 0.000 0.243 152 I C 1.029 177.113 176.117 -0.055 0.000 1.093 152 I CA 1.129 62.393 61.300 -0.060 0.000 1.380 152 I CB -0.640 37.294 38.000 -0.111 0.000 1.067 152 I HN 0.376 nan 8.210 nan 0.000 0.413 153 G N 0.252 108.994 108.800 -0.097 0.000 2.788 153 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.686 153 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.686 153 G C -0.955 173.898 174.900 -0.079 0.000 1.147 153 G CA -0.859 44.227 45.100 -0.024 0.000 0.755 153 G HN 0.090 nan 8.290 nan 0.000 0.634 154 Y N 2.028 122.342 120.300 0.024 0.000 2.316 154 Y HA 0.596 5.146 4.550 -0.000 0.000 0.324 154 Y C -0.817 175.108 175.900 0.042 0.000 1.267 154 Y CA -1.091 57.028 58.100 0.032 0.000 1.311 154 Y CB 0.995 39.469 38.460 0.022 0.000 1.267 154 Y HN 0.570 nan 8.280 nan 0.000 0.516 155 P HA 0.355 nan 4.420 nan 0.000 0.278 155 P C -1.206 176.179 177.300 0.142 0.000 1.258 155 P CA -0.273 63.002 63.100 0.292 0.000 0.811 155 P CB 1.410 33.288 31.700 0.297 0.000 1.063 156 V N 0.963 120.917 119.914 0.065 0.000 3.074 156 V HA 0.576 4.696 4.120 -0.000 0.000 0.314 156 V C -0.042 176.032 176.094 -0.033 0.000 1.117 156 V CA -0.833 61.448 62.300 -0.032 0.000 1.014 156 V CB 2.265 33.963 31.823 -0.209 0.000 1.057 156 V HN 0.551 nan 8.190 nan 0.000 0.438 157 I N 2.120 122.674 120.570 -0.027 0.000 2.607 157 I HA 0.521 4.691 4.170 -0.000 0.000 0.290 157 I C -1.452 174.647 176.117 -0.030 0.000 1.129 157 I CA -0.630 60.635 61.300 -0.060 0.000 1.042 157 I CB 1.655 39.621 38.000 -0.058 0.000 1.242 157 I HN 0.437 nan 8.210 nan 0.000 0.421 158 I N 6.585 127.135 120.570 -0.034 0.000 2.325 158 I HA 0.427 4.597 4.170 -0.000 0.000 0.291 158 I C 0.091 176.199 176.117 -0.015 0.000 1.019 158 I CA -0.314 60.974 61.300 -0.020 0.000 1.302 158 I CB 0.481 38.471 38.000 -0.018 0.000 1.401 158 I HN 0.615 nan 8.210 nan 0.000 0.485 171 V N 2.464 122.278 119.914 -0.167 0.000 2.448 171 V HA 0.760 4.880 4.120 -0.000 0.000 0.295 171 V C -0.265 175.768 176.094 -0.102 0.000 1.025 171 V CA -0.946 61.212 62.300 -0.237 0.000 0.859 171 V CB 1.846 33.420 31.823 -0.414 0.000 0.988 171 V HN 0.762 nan 8.190 nan 0.000 0.431 172 V N 6.264 126.164 119.914 -0.022 0.000 2.459 172 V HA 0.500 4.620 4.120 -0.000 0.000 0.295 172 V C 0.727 176.972 176.094 0.252 0.000 1.029 172 V CA -0.656 61.708 62.300 0.107 0.000 0.874 172 V CB 1.681 33.614 31.823 0.182 0.000 0.985 172 V HN 0.881 nan 8.190 nan 0.000 0.438 173 R N 2.666 123.223 120.500 0.096 0.000 2.335 173 R HA 0.476 4.816 4.340 -0.000 0.000 0.210 173 R C 0.662 176.624 176.300 -0.563 0.000 0.892 173 R CA 0.466 56.546 56.100 -0.034 0.000 1.048 173 R CB 1.124 31.402 30.300 -0.036 0.000 1.067 173 R HN 0.792 nan 8.270 nan 0.000 0.524 174 G N 0.411 108.874 108.800 -0.561 0.000 2.547 174 G HA2 0.152 4.112 3.960 -0.000 0.000 0.291 174 G HA3 0.152 4.112 3.960 -0.000 0.000 0.291 174 G C -0.980 173.764 174.900 -0.260 0.000 1.471 174 G CA -0.706 43.964 45.100 -0.718 0.000 0.798 174 G HN -0.154 nan 8.290 nan 0.000 0.504 175 D N 0.402 120.706 120.400 -0.161 0.000 2.191 175 D HA -0.192 4.448 4.640 -0.000 0.000 0.195 175 D C 2.626 178.925 176.300 -0.002 0.000 1.003 175 D CA 2.279 56.283 54.000 0.008 0.000 0.867 175 D CB -0.193 40.616 40.800 0.014 0.000 0.926 175 D HN 0.655 nan 8.370 nan 0.000 0.450 176 A N 0.911 123.707 122.820 -0.041 0.000 1.848 176 A HA -0.227 4.092 4.320 -0.000 0.000 0.217 176 A C 2.330 179.908 177.584 -0.010 0.000 1.220 176 A CA 3.200 55.221 52.037 -0.027 0.000 0.645 176 A CB -1.447 17.528 19.000 -0.042 0.000 0.842 176 A HN 0.351 nan 8.150 nan 0.000 0.451 177 E N -0.600 119.592 120.200 -0.013 0.000 2.510 177 E HA 0.092 4.442 4.350 -0.000 0.000 0.202 177 E C 1.570 178.180 176.600 0.018 0.000 1.072 177 E CA 1.096 57.495 56.400 -0.002 0.000 0.883 177 E CB -0.727 28.967 29.700 -0.009 0.000 0.818 177 E HN 0.416 nan 8.360 nan 0.000 0.548 178 L N 0.537 121.780 121.223 0.034 0.000 1.943 178 L HA -0.045 4.295 4.340 -0.000 0.000 0.215 178 L C 2.870 179.756 176.870 0.027 0.000 1.074 178 L CA 2.315 57.185 54.840 0.049 0.000 0.759 178 L CB -1.364 40.734 42.059 0.066 0.000 0.888 178 L HN 0.410 nan 8.230 nan 0.000 0.433 179 A N -1.272 121.559 122.820 0.019 0.000 1.842 179 A HA -0.337 3.983 4.320 -0.000 0.000 0.217 179 A C 2.344 179.932 177.584 0.006 0.000 1.206 179 A CA 3.434 55.478 52.037 0.011 0.000 0.630 179 A CB -1.389 17.616 19.000 0.008 0.000 0.839 179 A HN 0.551 nan 8.150 nan 0.000 0.447 180 Q N -1.145 118.656 119.800 0.002 0.000 2.142 180 Q HA -0.314 4.026 4.340 -0.000 0.000 0.213 180 Q C 2.447 178.445 176.000 -0.003 0.000 1.004 180 Q CA 3.000 58.802 55.803 -0.002 0.000 0.883 180 Q CB -1.454 27.281 28.738 -0.005 0.000 0.939 180 Q HN 0.679 nan 8.270 nan 0.000 0.413 181 S N -0.788 114.911 115.700 -0.002 0.000 2.371 181 S HA 0.019 4.489 4.470 -0.000 0.000 0.224 181 S C 2.241 176.838 174.600 -0.005 0.000 1.029 181 S CA 1.613 59.809 58.200 -0.006 0.000 0.978 181 S CB -0.662 62.534 63.200 -0.007 0.000 0.833 181 S HN 1.015 nan 8.310 nan 0.000 0.466 182 I N 1.022 121.593 120.570 0.002 0.000 2.252 182 I HA 0.079 4.249 4.170 -0.000 0.000 0.245 182 I C 2.647 178.764 176.117 -0.000 0.000 1.102 182 I CA 2.199 63.499 61.300 0.001 0.000 1.385 182 I CB -1.968 36.036 38.000 0.006 0.000 1.064 182 I HN 0.505 nan 8.210 nan 0.000 0.414 183 S N 0.121 115.821 115.700 0.000 0.000 2.419 183 S HA 0.017 4.487 4.470 -0.000 0.000 0.233 183 S C 2.352 176.950 174.600 -0.003 0.000 1.016 183 S CA 3.264 61.464 58.200 -0.001 0.000 0.974 183 S CB -0.687 62.513 63.200 -0.000 0.000 0.786 183 S HN 1.299 nan 8.310 nan 0.000 0.492 184 M N 0.435 120.032 119.600 -0.005 0.000 2.287 184 M HA 0.336 4.816 4.480 -0.000 0.000 0.266 184 M C 2.676 178.972 176.300 -0.007 0.000 1.079 184 M CA 2.126 57.422 55.300 -0.006 0.000 1.146 184 M CB -2.277 30.318 32.600 -0.009 0.000 1.374 184 M HN 0.619 nan 8.290 nan 0.000 0.435 185 T N 0.508 115.057 114.554 -0.007 0.000 2.614 185 T HA -0.026 4.324 4.350 -0.000 0.000 0.263 185 T C 2.287 176.985 174.700 -0.004 0.000 1.055 185 T CA 4.215 66.310 62.100 -0.007 0.000 1.162 185 T CB -1.015 67.848 68.868 -0.009 0.000 0.863 185 T HN 0.858 nan 8.240 nan 0.000 0.414 186 R N 1.131 121.630 120.500 -0.002 0.000 2.153 186 R HA 0.343 4.683 4.340 -0.000 0.000 0.252 186 R C 2.105 178.404 176.300 -0.001 0.000 1.158 186 R CA 2.046 58.146 56.100 -0.001 0.000 0.975 186 R CB -1.830 28.470 30.300 0.000 0.000 0.871 186 R HN 1.138 nan 8.270 nan 0.000 0.450 200 M N 2.660 122.256 119.600 -0.006 0.000 2.404 200 M HA 0.770 5.250 4.480 -0.000 0.000 0.338 200 M C -0.706 175.586 176.300 -0.013 0.000 1.150 200 M CA -0.504 54.786 55.300 -0.016 0.000 1.016 200 M CB 1.955 34.537 32.600 -0.029 0.000 1.672 200 M HN 0.959 nan 8.290 nan 0.000 0.448 201 E N 2.337 122.528 120.200 -0.015 0.000 2.413 201 E HA 0.307 4.657 4.350 -0.000 0.000 0.277 201 E C -1.722 174.871 176.600 -0.011 0.000 0.958 201 E CA -0.854 55.542 56.400 -0.006 0.000 0.779 201 E CB 2.233 31.942 29.700 0.014 0.000 1.278 201 E HN 0.683 nan 8.360 nan 0.000 0.456 202 K N 1.641 122.021 120.400 -0.033 0.000 2.355 202 K HA 0.033 4.353 4.320 -0.000 0.000 0.270 202 K C -1.436 175.160 176.600 -0.006 0.000 1.003 202 K CA -0.040 56.210 56.287 -0.062 0.000 0.957 202 K CB 0.411 32.820 32.500 -0.151 0.000 0.939 202 K HN 0.399 nan 8.250 nan 0.000 0.482 203 Y N 5.055 125.282 120.300 -0.123 0.000 2.334 203 Y HA 0.315 4.865 4.550 -0.000 0.000 0.336 203 Y C -1.229 174.614 175.900 -0.095 0.000 0.960 203 Y CA -0.882 57.167 58.100 -0.085 0.000 1.164 203 Y CB 0.749 39.187 38.460 -0.036 0.000 1.155 203 Y HN 0.497 nan 8.280 nan 0.000 0.478 204 L N 6.996 127.812 121.223 -0.679 0.000 2.407 204 L HA 0.285 4.625 4.340 -0.000 0.000 0.261 204 L C 1.316 177.765 176.870 -0.701 0.000 1.108 204 L CA 0.064 54.570 54.840 -0.557 0.000 0.995 204 L CB 0.606 42.444 42.059 -0.368 0.000 1.349 204 L HN 0.748 nan 8.230 nan 0.000 0.423 205 E N 1.592 121.403 120.200 -0.649 0.000 2.058 205 E HA -0.110 4.240 4.350 -0.000 0.000 0.194 205 E C 0.303 176.862 176.600 -0.068 0.000 0.997 205 E CA 1.030 57.214 56.400 -0.359 0.000 0.801 205 E CB 0.313 30.000 29.700 -0.022 0.000 0.746 205 E HN 0.549 nan 8.360 nan 0.000 0.450 206 N N 0.687 119.355 118.700 -0.053 0.000 2.791 206 N HA 0.210 4.950 4.740 -0.000 0.000 0.265 206 N C -2.694 172.797 175.510 -0.032 0.000 1.580 206 N CA -0.764 52.297 53.050 0.019 0.000 0.809 206 N CB 1.922 40.435 38.487 0.043 0.000 1.178 206 N HN 0.141 nan 8.380 nan 0.000 0.499 207 P HA 0.435 nan 4.420 nan 0.000 0.285 207 P C -0.584 176.728 177.300 0.019 0.000 1.280 207 P CA -0.521 62.562 63.100 -0.028 0.000 0.862 207 P CB 1.940 33.626 31.700 -0.023 0.000 1.153 208 R N 0.118 120.687 120.500 0.115 0.000 2.720 208 R HA 0.444 4.784 4.340 -0.000 0.000 0.272 208 R C 0.210 176.649 176.300 0.232 0.000 0.991 208 R CA -0.739 55.469 56.100 0.179 0.000 1.010 208 R CB 0.701 31.137 30.300 0.227 0.000 1.141 208 R HN 0.607 nan 8.270 nan 0.000 0.494 209 H N 1.903 121.052 119.070 0.132 0.000 2.724 209 H HA 0.266 4.822 4.556 -0.000 0.000 0.278 209 H C -1.322 174.107 175.328 0.169 0.000 1.159 209 H CA -0.427 55.707 56.048 0.143 0.000 1.254 209 H CB 0.446 30.259 29.762 0.085 0.000 1.412 209 H HN 0.211 nan 8.280 nan 0.000 0.488 210 V N 6.938 126.971 119.914 0.198 0.000 2.384 210 V HA 0.214 4.334 4.120 -0.000 0.000 0.287 210 V C -0.018 176.254 176.094 0.298 0.000 1.020 210 V CA -0.683 61.776 62.300 0.264 0.000 0.850 210 V CB 1.545 33.502 31.823 0.224 0.000 0.987 210 V HN 0.789 nan 8.190 nan 0.000 0.436 211 E N 5.688 126.065 120.200 0.295 0.000 2.256 211 E HA 0.672 5.022 4.350 -0.000 0.000 0.267 211 E C -1.496 175.262 176.600 0.263 0.000 0.892 211 E CA -0.962 55.632 56.400 0.322 0.000 0.775 211 E CB 2.616 32.483 29.700 0.277 0.000 1.207 211 E HN 0.382 nan 8.360 nan 0.000 0.420 212 I N 1.917 122.683 120.570 0.328 0.000 2.377 212 I HA 0.191 4.361 4.170 -0.000 0.000 0.293 212 I C -0.194 176.073 176.117 0.251 0.000 0.987 212 I CA -0.797 60.640 61.300 0.227 0.000 1.185 212 I CB 1.353 39.449 38.000 0.159 0.000 1.341 212 I HN 0.696 nan 8.210 nan 0.000 0.455 213 Q N 5.915 125.831 119.800 0.193 0.000 2.256 213 Q HA 0.568 4.908 4.340 -0.000 0.000 0.254 213 Q C -1.015 175.100 176.000 0.191 0.000 0.916 213 Q CA -0.348 55.560 55.803 0.176 0.000 0.932 213 Q CB 1.418 30.237 28.738 0.135 0.000 1.207 213 Q HN 0.550 nan 8.270 nan 0.000 0.426 214 V N 1.469 121.494 119.914 0.185 0.000 3.141 214 V HA 0.758 4.878 4.120 -0.000 0.000 0.312 214 V C -1.089 175.100 176.094 0.159 0.000 1.157 214 V CA -1.089 61.324 62.300 0.188 0.000 1.041 214 V CB 2.115 34.088 31.823 0.249 0.000 1.071 214 V HN 0.762 nan 8.190 nan 0.000 0.441 215 L N 1.524 122.837 121.223 0.149 0.000 2.505 215 L HA 0.896 5.236 4.340 -0.000 0.000 0.266 215 L C -0.393 176.561 176.870 0.141 0.000 0.954 215 L CA -0.493 54.429 54.840 0.137 0.000 0.852 215 L CB 1.999 44.104 42.059 0.077 0.000 1.282 215 L HN 1.148 nan 8.230 nan 0.000 0.403 216 A N 1.152 124.075 122.820 0.171 0.000 2.475 216 A HA 0.632 4.952 4.320 -0.000 0.000 0.301 216 A C -0.485 177.143 177.584 0.072 0.000 1.059 216 A CA -0.526 51.598 52.037 0.145 0.000 0.710 216 A CB 1.460 20.612 19.000 0.253 0.000 1.288 216 A HN 0.807 nan 8.150 nan 0.000 0.408 217 D N 0.035 120.460 120.400 0.042 0.000 2.367 217 D HA 0.325 4.965 4.640 -0.000 0.000 0.207 217 D C 1.172 177.466 176.300 -0.010 0.000 1.034 217 D CA 1.018 55.022 54.000 0.007 0.000 0.861 217 D CB 0.294 41.096 40.800 0.003 0.000 0.943 217 D HN 1.607 nan 8.370 nan 0.000 0.515 218 G N 0.353 109.155 108.800 0.003 0.000 2.199 218 G HA2 -0.372 3.588 3.960 -0.000 0.000 0.254 218 G HA3 -0.372 3.588 3.960 -0.000 0.000 0.254 218 G C 0.871 175.771 174.900 -0.001 0.000 0.982 218 G CA 0.345 45.441 45.100 -0.008 0.000 0.632 218 G HN 0.438 nan 8.290 nan 0.000 0.529 219 Q N -0.397 119.404 119.800 0.002 0.000 2.204 219 Q HA 0.455 4.795 4.340 -0.000 0.000 0.209 219 Q C 1.765 177.770 176.000 0.008 0.000 0.861 219 Q CA 0.688 56.492 55.803 0.002 0.000 0.971 219 Q CB 0.519 29.256 28.738 -0.002 0.000 1.095 219 Q HN 1.446 nan 8.270 nan 0.000 0.486 220 G N 0.639 109.449 108.800 0.016 0.000 2.194 220 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.236 220 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.236 220 G C -0.152 174.762 174.900 0.023 0.000 0.987 220 G CA -0.489 44.623 45.100 0.019 0.000 0.635 220 G HN 0.307 nan 8.290 nan 0.000 0.520 221 N N 0.974 119.689 118.700 0.026 0.000 2.430 221 N HA 0.699 5.439 4.740 -0.000 0.000 0.292 221 N C -0.212 175.326 175.510 0.046 0.000 1.051 221 N CA 0.561 53.627 53.050 0.027 0.000 0.917 221 N CB 1.968 40.464 38.487 0.015 0.000 1.164 221 N HN 0.947 nan 8.380 nan 0.000 0.484 222 A N 2.052 124.901 122.820 0.048 0.000 2.459 222 A HA 0.720 5.040 4.320 -0.000 0.000 0.296 222 A C -1.030 176.592 177.584 0.063 0.000 1.039 222 A CA -0.526 51.555 52.037 0.074 0.000 0.698 222 A CB 1.095 20.152 19.000 0.096 0.000 1.261 222 A HN 0.636 nan 8.150 nan 0.000 0.405 223 I N 1.844 122.453 120.570 0.066 0.000 2.686 223 I HA 0.524 4.694 4.170 -0.000 0.000 0.295 223 I C -1.277 174.881 176.117 0.069 0.000 1.114 223 I CA -0.804 60.503 61.300 0.012 0.000 1.038 223 I CB 2.343 40.311 38.000 -0.054 0.000 1.238 223 I HN 0.766 nan 8.210 nan 0.000 0.420 224 Y N 5.130 125.419 120.300 -0.019 0.000 2.387 224 Y HA 0.747 5.297 4.550 -0.000 0.000 0.336 224 Y C -0.945 174.946 175.900 -0.015 0.000 1.067 224 Y CA -1.323 56.767 58.100 -0.016 0.000 1.114 224 Y CB 0.745 39.167 38.460 -0.063 0.000 1.208 224 Y HN 0.309 nan 8.280 nan 0.000 0.458 225 L N 4.836 126.103 121.223 0.073 0.000 3.047 225 L HA 0.676 5.016 4.340 -0.000 0.000 0.242 225 L C 0.595 177.510 176.870 0.074 0.000 1.315 225 L CA 0.186 55.031 54.840 0.008 0.000 1.042 225 L CB -0.564 41.505 42.059 0.016 0.000 1.420 225 L HN 1.134 nan 8.230 nan 0.000 0.517 226 A N 0.374 123.284 122.820 0.150 0.000 6.226 226 A HA -0.177 4.143 4.320 -0.000 0.000 0.254 226 A C 0.182 177.831 177.584 0.109 0.000 2.160 226 A CA 1.073 53.194 52.037 0.139 0.000 0.705 226 A CB -0.718 18.323 19.000 0.070 0.000 1.036 226 A HN 0.580 nan 8.150 nan 0.000 0.366 227 E N -0.446 119.792 120.200 0.065 0.000 2.412 227 E HA 0.886 5.236 4.350 -0.000 0.000 0.255 227 E C -0.170 176.467 176.600 0.061 0.000 0.933 227 E CA -0.871 55.567 56.400 0.064 0.000 0.823 227 E CB 0.732 30.447 29.700 0.026 0.000 1.352 227 E HN 0.812 nan 8.360 nan 0.000 0.406 228 R N -0.413 120.140 120.500 0.089 0.000 2.740 228 R HA 0.485 4.825 4.340 -0.000 0.000 0.273 228 R C -1.441 174.936 176.300 0.130 0.000 0.998 228 R CA -0.994 55.157 56.100 0.084 0.000 0.900 228 R CB 1.704 32.052 30.300 0.081 0.000 1.223 228 R HN 0.544 nan 8.270 nan 0.000 0.466 229 D N 0.978 121.448 120.400 0.117 0.000 2.308 229 D HA 0.281 4.921 4.640 -0.000 0.000 0.242 229 D C -0.466 175.907 176.300 0.122 0.000 1.059 229 D CA -0.478 53.614 54.000 0.153 0.000 0.830 229 D CB 1.495 42.374 40.800 0.132 0.000 1.161 229 D HN 0.639 nan 8.370 nan 0.000 0.494 230 C N 2.566 121.934 119.300 0.114 0.000 2.859 230 C HA 0.216 4.676 4.460 -0.000 0.000 0.256 230 C C 1.930 176.862 174.990 -0.096 0.000 1.660 230 C CA -0.534 58.440 59.018 -0.073 0.000 1.755 230 C CB -1.264 26.309 27.740 -0.278 0.000 3.127 230 C HN 0.530 nan 8.230 nan 0.000 0.494 231 S N 1.217 116.955 115.700 0.064 0.000 2.419 231 S HA -0.143 4.327 4.470 -0.000 0.000 0.235 231 S C 0.923 175.538 174.600 0.025 0.000 1.019 231 S CA 1.172 59.418 58.200 0.076 0.000 0.982 231 S CB -0.242 63.024 63.200 0.109 0.000 0.789 231 S HN 0.641 nan 8.310 nan 0.000 0.490 232 M N 3.109 122.718 119.600 0.015 0.000 2.455 232 M HA 0.180 4.660 4.480 -0.000 0.000 0.331 232 M C -0.352 175.922 176.300 -0.043 0.000 1.481 232 M CA 0.268 55.568 55.300 -0.000 0.000 1.362 232 M CB -0.683 31.903 32.600 -0.023 0.000 1.564 232 M HN 0.179 nan 8.290 nan 0.000 0.458 233 Q N 2.592 122.364 119.800 -0.046 0.000 2.484 233 Q HA 0.676 5.016 4.340 -0.000 0.000 0.285 233 Q C -0.846 175.089 176.000 -0.109 0.000 1.097 233 Q CA -1.156 54.598 55.803 -0.082 0.000 0.802 233 Q CB 2.812 31.493 28.738 -0.096 0.000 1.444 233 Q HN 0.505 nan 8.270 nan 0.000 0.429 234 R N 0.896 121.314 120.500 -0.137 0.000 2.510 234 R HA 0.315 4.655 4.340 -0.000 0.000 0.294 234 R C -0.886 175.301 176.300 -0.190 0.000 1.056 234 R CA -0.518 55.464 56.100 -0.197 0.000 0.918 234 R CB 0.877 31.031 30.300 -0.243 0.000 1.187 234 R HN 0.783 nan 8.270 nan 0.000 0.437 235 R N 2.425 122.785 120.500 -0.232 0.000 3.641 235 R HA -0.219 4.121 4.340 -0.000 0.000 0.286 235 R C -0.665 175.612 176.300 -0.038 0.000 1.153 235 R CA 1.559 57.571 56.100 -0.146 0.000 0.775 235 R CB -2.336 27.915 30.300 -0.082 0.000 1.215 235 R HN 1.120 nan 8.270 nan 0.000 0.474 236 H N -3.279 115.769 119.070 -0.038 0.000 3.022 236 H HA -0.202 4.354 4.556 -0.000 0.000 0.258 236 H C -0.246 175.053 175.328 -0.048 0.000 1.212 236 H CA 1.350 57.381 56.048 -0.028 0.000 1.126 236 H CB -0.854 28.901 29.762 -0.012 0.000 1.267 236 H HN 0.555 nan 8.280 nan 0.000 0.345 237 Q N 1.013 120.809 119.800 -0.008 0.000 2.331 237 Q HA 0.313 4.653 4.340 -0.000 0.000 0.267 237 Q C -0.523 175.438 176.000 -0.066 0.000 1.006 237 Q CA -1.011 54.774 55.803 -0.031 0.000 0.818 237 Q CB 1.167 29.888 28.738 -0.029 0.000 1.276 237 Q HN 0.226 nan 8.270 nan 0.000 0.450 238 K N 1.809 122.157 120.400 -0.087 0.000 2.472 238 K HA -0.005 4.315 4.320 -0.000 0.000 0.280 238 K C 0.098 176.654 176.600 -0.073 0.000 1.028 238 K CA -0.023 56.200 56.287 -0.107 0.000 1.045 238 K CB 0.822 33.237 32.500 -0.141 0.000 0.902 238 K HN 0.381 nan 8.250 nan 0.000 0.478 239 V N 2.711 122.587 119.914 -0.064 0.000 3.013 239 V HA 0.018 4.138 4.120 -0.000 0.000 0.238 239 V C 0.259 176.327 176.094 -0.043 0.000 1.161 239 V CA 0.326 62.602 62.300 -0.040 0.000 1.170 239 V CB 1.022 32.828 31.823 -0.029 0.000 0.917 239 V HN 0.481 nan 8.190 nan 0.000 0.478 240 V N 0.602 120.483 119.914 -0.055 0.000 2.789 240 V HA 0.582 4.702 4.120 -0.000 0.000 0.311 240 V C -1.251 174.838 176.094 -0.008 0.000 1.073 240 V CA -0.616 61.659 62.300 -0.042 0.000 0.921 240 V CB 2.284 34.038 31.823 -0.114 0.000 1.009 240 V HN 0.458 nan 8.190 nan 0.000 0.426 241 E N 2.294 122.506 120.200 0.021 0.000 2.317 241 E HA 0.733 5.083 4.350 -0.000 0.000 0.270 241 E C -1.227 175.418 176.600 0.075 0.000 0.885 241 E CA -0.834 55.587 56.400 0.035 0.000 0.760 241 E CB 2.626 32.325 29.700 -0.002 0.000 1.227 241 E HN 0.856 nan 8.360 nan 0.000 0.434 242 E N 0.289 120.538 120.200 0.081 0.000 2.433 242 E HA 0.875 5.225 4.350 -0.000 0.000 0.278 242 E C -1.499 175.085 176.600 -0.028 0.000 0.976 242 E CA -1.553 54.885 56.400 0.062 0.000 0.793 242 E CB 1.974 31.790 29.700 0.194 0.000 1.311 242 E HN 0.440 nan 8.360 nan 0.000 0.460 243 A N 1.418 124.115 122.820 -0.205 0.000 2.517 243 A HA 0.684 5.004 4.320 -0.000 0.000 0.297 243 A C -2.855 174.354 177.584 -0.625 0.000 1.050 243 A CA -1.426 50.460 52.037 -0.252 0.000 0.694 243 A CB 1.548 20.487 19.000 -0.103 0.000 1.277 243 A HN 0.483 nan 8.150 nan 0.000 0.400 244 P HA 0.496 nan 4.420 nan 0.000 0.307 244 P C -0.131 177.147 177.300 -0.038 0.000 1.306 244 P CA -0.167 62.858 63.100 -0.125 0.000 0.742 244 P CB 0.614 32.296 31.700 -0.030 0.000 1.349 245 A N -0.251 122.578 122.820 0.015 0.000 2.290 245 A HA 0.582 4.902 4.320 -0.000 0.000 0.310 245 A C -2.339 175.267 177.584 0.037 0.000 1.202 245 A CA -1.759 50.302 52.037 0.039 0.000 0.837 245 A CB -0.744 18.259 19.000 0.005 0.000 1.139 245 A HN 0.310 nan 8.150 nan 0.000 0.509 246 P HA 0.277 nan 4.420 nan 0.000 0.267 246 P C 1.135 178.433 177.300 -0.002 0.000 1.205 246 P CA 1.855 64.957 63.100 0.002 0.000 0.765 246 P CB 0.910 32.579 31.700 -0.052 0.000 0.828 247 G N 2.919 111.715 108.800 -0.006 0.000 2.253 247 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.251 247 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.251 247 G C 0.190 175.105 174.900 0.026 0.000 0.998 247 G CA -0.442 44.673 45.100 0.025 0.000 0.621 247 G HN 0.481 nan 8.290 nan 0.000 0.524 248 I N 3.163 123.722 120.570 -0.018 0.000 2.452 248 I HA 0.336 4.506 4.170 -0.000 0.000 0.287 248 I C 1.333 177.450 176.117 0.001 0.000 1.079 248 I CA 0.605 61.877 61.300 -0.046 0.000 1.387 248 I CB 0.026 37.973 38.000 -0.089 0.000 1.404 248 I HN 0.384 nan 8.210 nan 0.000 0.522 249 T N 4.402 118.966 114.554 0.016 0.000 2.927 249 T HA 0.422 4.772 4.350 -0.000 0.000 0.281 249 T C -1.873 172.849 174.700 0.036 0.000 0.998 249 T CA -1.816 60.300 62.100 0.027 0.000 1.019 249 T CB 1.971 70.856 68.868 0.028 0.000 1.061 249 T HN 0.255 nan 8.240 nan 0.000 0.518 250 P HA -0.042 nan 4.420 nan 0.000 0.215 250 P C 1.194 178.528 177.300 0.057 0.000 1.153 250 P CA 1.093 64.224 63.100 0.052 0.000 0.853 250 P CB 0.060 31.790 31.700 0.050 0.000 0.788 251 E N -0.537 119.692 120.200 0.048 0.000 2.058 251 E HA -0.147 4.203 4.350 -0.000 0.000 0.194 251 E C 2.096 178.738 176.600 0.070 0.000 0.997 251 E CA 1.010 57.440 56.400 0.050 0.000 0.801 251 E CB -1.037 28.681 29.700 0.031 0.000 0.746 251 E HN 0.178 nan 8.360 nan 0.000 0.450 252 L N 0.265 121.530 121.223 0.070 0.000 2.056 252 L HA -0.141 4.199 4.340 -0.000 0.000 0.207 252 L C 2.677 179.601 176.870 0.090 0.000 1.078 252 L CA 1.072 55.986 54.840 0.123 0.000 0.749 252 L CB -0.232 41.909 42.059 0.137 0.000 0.901 252 L HN 0.090 nan 8.230 nan 0.000 0.433 253 R N 0.112 120.635 120.500 0.039 0.000 2.094 253 R HA -0.260 4.080 4.340 -0.000 0.000 0.239 253 R C 2.501 178.739 176.300 -0.103 0.000 1.137 253 R CA 2.030 58.121 56.100 -0.014 0.000 0.943 253 R CB -0.275 30.057 30.300 0.054 0.000 0.850 253 R HN 0.209 nan 8.270 nan 0.000 0.433 254 R N -0.624 119.870 120.500 -0.011 0.000 2.082 254 R HA -0.244 4.096 4.340 -0.000 0.000 0.234 254 R C 2.305 178.474 176.300 -0.217 0.000 1.136 254 R CA 2.157 58.224 56.100 -0.054 0.000 0.935 254 R CB -0.774 29.564 30.300 0.063 0.000 0.842 254 R HN 0.376 nan 8.270 nan 0.000 0.430 255 Y N 0.987 121.171 120.300 -0.193 0.000 2.062 255 Y HA -0.327 4.223 4.550 -0.000 0.000 0.276 255 Y C 2.142 177.828 175.900 -0.357 0.000 1.189 255 Y CA 2.296 60.272 58.100 -0.206 0.000 1.130 255 Y CB -0.462 37.934 38.460 -0.107 0.000 0.959 255 Y HN 0.201 nan 8.280 nan 0.000 0.499 256 I N 0.503 120.800 120.570 -0.454 0.000 2.353 256 I HA -0.064 4.106 4.170 -0.000 0.000 0.248 256 I C 2.479 178.074 176.117 -0.870 0.000 1.119 256 I CA 1.754 62.575 61.300 -0.799 0.000 1.417 256 I CB -1.006 36.294 38.000 -1.165 0.000 1.078 256 I HN 0.353 nan 8.210 nan 0.000 0.421 257 G N -0.358 107.840 108.800 -1.003 0.000 2.433 257 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.216 257 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.216 257 G C 1.532 175.714 174.900 -1.196 0.000 1.186 257 G CA 0.808 44.944 45.100 -1.607 0.000 0.779 257 G HN 0.468 nan 8.290 nan 0.000 0.543 258 E N -0.006 119.644 120.200 -0.917 0.000 2.097 258 E HA -0.198 4.152 4.350 -0.000 0.000 0.196 258 E C 2.754 179.115 176.600 -0.399 0.000 1.000 258 E CA 0.950 57.104 56.400 -0.410 0.000 0.804 258 E CB -0.092 29.456 29.700 -0.253 0.000 0.740 258 E HN 0.126 nan 8.360 nan 0.000 0.454 259 R N 0.248 120.418 120.500 -0.549 0.000 2.083 259 R HA -0.109 4.231 4.340 -0.000 0.000 0.237 259 R C 2.320 178.306 176.300 -0.522 0.000 1.137 259 R CA 1.400 57.182 56.100 -0.529 0.000 0.951 259 R CB -0.810 29.090 30.300 -0.665 0.000 0.851 259 R HN 0.253 nan 8.270 nan 0.000 0.434 260 C N -0.876 118.025 119.300 -0.665 0.000 2.457 260 C HA 0.126 4.586 4.460 -0.000 0.000 0.278 260 C C 2.671 177.361 174.990 -0.500 0.000 1.309 260 C CA 0.361 58.804 59.018 -0.960 0.000 1.735 260 C CB -1.007 26.082 27.740 -1.085 0.000 1.992 260 C HN 0.596 nan 8.230 nan 0.000 0.493 261 A N 1.364 124.027 122.820 -0.261 0.000 1.858 261 A HA -0.224 4.096 4.320 -0.000 0.000 0.216 261 A C 2.091 179.648 177.584 -0.044 0.000 1.190 261 A CA 2.229 54.242 52.037 -0.041 0.000 0.617 261 A CB -0.641 18.404 19.000 0.075 0.000 0.827 261 A HN 0.613 nan 8.150 nan 0.000 0.443 262 K N 0.247 120.583 120.400 -0.107 0.000 2.059 262 K HA -0.169 4.151 4.320 -0.000 0.000 0.212 262 K C 1.922 178.490 176.600 -0.053 0.000 1.050 262 K CA 2.165 58.402 56.287 -0.083 0.000 0.927 262 K CB -0.571 31.853 32.500 -0.126 0.000 0.714 262 K HN 0.330 nan 8.250 nan 0.000 0.447 263 A N 0.244 123.012 122.820 -0.087 0.000 2.019 263 A HA -0.152 4.168 4.320 -0.000 0.000 0.219 263 A C 2.439 180.080 177.584 0.096 0.000 1.164 263 A CA 1.641 53.672 52.037 -0.010 0.000 0.644 263 A CB -1.101 17.886 19.000 -0.022 0.000 0.805 263 A HN 0.607 nan 8.150 nan 0.000 0.449 264 C N -1.279 118.102 119.300 0.135 0.000 2.411 264 C HA -0.066 4.394 4.460 -0.000 0.000 0.279 264 C C 2.734 177.817 174.990 0.155 0.000 1.288 264 C CA 1.187 60.321 59.018 0.192 0.000 1.764 264 C CB -1.189 26.674 27.740 0.206 0.000 1.974 264 C HN 0.497 nan 8.230 nan 0.000 0.498 265 V N 1.148 121.118 119.914 0.092 0.000 2.283 265 V HA -0.158 3.962 4.120 -0.000 0.000 0.243 265 V C 2.128 178.252 176.094 0.050 0.000 1.039 265 V CA 2.229 64.566 62.300 0.063 0.000 1.016 265 V CB -0.796 31.049 31.823 0.036 0.000 0.650 265 V HN 0.432 nan 8.190 nan 0.000 0.449 266 D N 0.751 121.172 120.400 0.035 0.000 2.133 266 D HA -0.182 4.458 4.640 -0.000 0.000 0.195 266 D C 1.981 178.304 176.300 0.037 0.000 0.997 266 D CA 1.987 56.001 54.000 0.024 0.000 0.840 266 D CB -0.365 40.439 40.800 0.007 0.000 0.947 266 D HN 0.602 nan 8.370 nan 0.000 0.452 267 I N -1.964 118.643 120.570 0.061 0.000 3.428 267 I HA 0.163 4.333 4.170 -0.000 0.000 0.286 267 I C 1.007 177.179 176.117 0.092 0.000 1.287 267 I CA 0.930 62.274 61.300 0.073 0.000 1.396 267 I CB -0.218 37.830 38.000 0.080 0.000 1.062 267 I HN 0.071 nan 8.210 nan 0.000 0.471 268 G N 1.630 110.486 108.800 0.093 0.000 2.246 268 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.273 268 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.273 268 G C -0.052 174.906 174.900 0.096 0.000 1.055 268 G CA 0.332 45.476 45.100 0.075 0.000 0.851 268 G HN 0.653 nan 8.290 nan 0.000 0.500 269 Y N 0.593 120.907 120.300 0.023 0.000 2.497 269 Y HA 0.448 4.998 4.550 -0.000 0.000 0.334 269 Y C 0.927 176.840 175.900 0.022 0.000 1.199 269 Y CA 0.253 58.366 58.100 0.021 0.000 1.425 269 Y CB 0.573 39.050 38.460 0.029 0.000 1.291 269 Y HN 0.558 nan 8.280 nan 0.000 0.562 270 R N 4.275 124.427 120.500 -0.581 0.000 2.502 270 R HA 0.665 5.005 4.340 -0.000 0.000 0.298 270 R C -0.469 175.527 176.300 -0.505 0.000 1.018 270 R CA 0.100 55.983 56.100 -0.362 0.000 0.899 270 R CB 1.085 31.261 30.300 -0.207 0.000 1.181 270 R HN 0.999 nan 8.270 nan 0.000 0.444 271 G N 1.716 110.395 108.800 -0.202 0.000 2.342 271 G HA2 0.240 4.200 3.960 -0.000 0.000 0.220 271 G HA3 0.240 4.200 3.960 -0.000 0.000 0.220 271 G C -1.219 173.775 174.900 0.157 0.000 1.243 271 G CA -0.485 44.560 45.100 -0.091 0.000 1.083 271 G HN 0.927 nan 8.290 nan 0.000 0.500 272 A N -0.630 122.286 122.820 0.161 0.000 2.303 272 A HA 1.058 5.378 4.320 -0.000 0.000 0.317 272 A C 0.674 178.440 177.584 0.302 0.000 1.149 272 A CA 0.881 53.039 52.037 0.202 0.000 0.822 272 A CB 1.317 20.370 19.000 0.088 0.000 1.131 272 A HN 2.612 nan 8.150 nan 0.000 0.493 273 G N -0.503 108.401 108.800 0.172 0.000 2.523 273 G HA2 0.581 4.541 3.960 -0.000 0.000 0.291 273 G HA3 0.581 4.541 3.960 -0.000 0.000 0.291 273 G C -1.157 173.719 174.900 -0.039 0.000 1.450 273 G CA -0.311 44.793 45.100 0.006 0.000 0.790 273 G HN 0.864 nan 8.290 nan 0.000 0.496 274 T N 0.257 114.745 114.554 -0.111 0.000 2.893 274 T HA 0.594 4.944 4.350 -0.000 0.000 0.293 274 T C -1.415 173.226 174.700 -0.097 0.000 1.027 274 T CA -0.252 61.847 62.100 -0.002 0.000 0.988 274 T CB 1.400 70.298 68.868 0.050 0.000 1.043 274 T HN 0.315 nan 8.240 nan 0.000 0.461 275 F N 1.991 121.951 119.950 0.017 0.000 2.388 275 F HA 0.383 4.910 4.527 -0.000 0.000 0.358 275 F C 0.878 176.564 175.800 -0.190 0.000 1.122 275 F CA -0.882 57.086 58.000 -0.054 0.000 1.056 275 F CB 1.027 40.043 39.000 0.027 0.000 1.155 275 F HN 0.447 nan 8.300 nan 0.000 0.461 276 E N 3.809 123.883 120.200 -0.210 0.000 2.200 276 E HA 0.470 4.820 4.350 -0.000 0.000 0.283 276 E C -1.150 175.087 176.600 -0.605 0.000 1.015 276 E CA -0.372 55.866 56.400 -0.270 0.000 0.819 276 E CB 1.231 30.811 29.700 -0.200 0.000 1.081 276 E HN 0.331 nan 8.360 nan 0.000 0.397 277 F N 1.454 121.373 119.950 -0.052 0.000 2.611 277 F HA 0.445 4.972 4.527 0.000 0.000 0.324 277 F C -0.145 175.673 175.800 0.030 0.000 1.061 277 F CA -0.977 57.068 58.000 0.074 0.000 0.954 277 F CB 1.025 40.203 39.000 0.296 0.000 1.301 277 F HN 0.172 nan 8.300 nan 0.000 0.482 278 L N 1.803 123.240 121.223 0.355 0.000 2.309 278 L HA 0.446 4.786 4.340 -0.000 0.000 0.282 278 L C -1.257 175.872 176.870 0.432 0.000 1.036 278 L CA -0.673 54.329 54.840 0.270 0.000 0.806 278 L CB 1.542 43.709 42.059 0.181 0.000 1.220 278 L HN 0.478 nan 8.230 nan 0.000 0.429 279 F N 3.259 123.277 119.950 0.113 0.000 2.493 279 F HA 0.507 5.034 4.527 -0.000 0.000 0.329 279 F C -0.480 175.304 175.800 -0.026 0.000 1.126 279 F CA -0.453 57.520 58.000 -0.043 0.000 0.937 279 F CB 1.329 40.229 39.000 -0.167 0.000 1.146 279 F HN 0.406 nan 8.300 nan 0.000 0.442 280 E N 4.936 124.833 120.200 -0.505 0.000 2.343 280 E HA 0.190 4.540 4.350 -0.000 0.000 0.288 280 E C -0.815 175.468 176.600 -0.528 0.000 0.907 280 E CA -0.385 55.750 56.400 -0.441 0.000 0.792 280 E CB 0.947 30.557 29.700 -0.149 0.000 1.275 280 E HN 0.782 nan 8.360 nan 0.000 0.402 281 N N 2.530 120.880 118.700 -0.585 0.000 2.747 281 N HA -0.219 4.521 4.740 -0.000 0.000 0.249 281 N C 0.511 175.755 175.510 -0.444 0.000 1.107 281 N CA 1.591 54.402 53.050 -0.398 0.000 0.707 281 N CB -1.113 37.256 38.487 -0.198 0.000 1.054 281 N HN 0.986 nan 8.380 nan 0.000 0.555 282 G N -1.045 107.281 108.800 -0.791 0.000 2.176 282 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.253 282 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.253 282 G C -0.223 174.485 174.900 -0.320 0.000 0.979 282 G CA 0.654 45.519 45.100 -0.391 0.000 0.641 282 G HN 0.528 nan 8.290 nan 0.000 0.530 283 E N -0.878 119.026 120.200 -0.494 0.000 2.256 283 E HA 0.661 5.011 4.350 -0.000 0.000 0.267 283 E C -1.102 175.289 176.600 -0.348 0.000 0.892 283 E CA -0.858 55.339 56.400 -0.339 0.000 0.775 283 E CB 1.410 30.955 29.700 -0.259 0.000 1.207 283 E HN 0.066 nan 8.360 nan 0.000 0.420 284 F N 1.296 121.150 119.950 -0.159 0.000 2.443 284 F HA 0.385 4.912 4.527 -0.000 0.000 0.335 284 F C -0.610 175.009 175.800 -0.301 0.000 1.104 284 F CA -0.540 57.446 58.000 -0.022 0.000 1.013 284 F CB 0.908 39.829 39.000 -0.132 0.000 1.136 284 F HN 0.329 nan 8.300 nan 0.000 0.470 285 Y N 3.019 123.632 120.300 0.523 0.000 2.326 285 Y HA 0.306 4.856 4.550 -0.000 0.000 0.329 285 Y C -0.252 175.895 175.900 0.411 0.000 0.973 285 Y CA -1.427 56.907 58.100 0.389 0.000 1.162 285 Y CB 1.071 39.648 38.460 0.196 0.000 1.147 285 Y HN 0.473 nan 8.280 nan 0.000 0.456 286 F N 4.074 124.236 119.950 0.352 0.000 2.629 286 F HA 0.082 4.609 4.527 -0.000 0.000 0.369 286 F C 0.236 176.027 175.800 -0.015 0.000 1.125 286 F CA 0.553 58.570 58.000 0.028 0.000 1.330 286 F CB 0.451 39.457 39.000 0.011 0.000 1.071 286 F HN 0.593 nan 8.300 nan 0.000 0.595 287 I N 2.003 121.836 120.570 -1.227 0.000 3.873 287 I HA 0.143 4.313 4.170 -0.000 0.000 0.284 287 I C -0.325 175.019 176.117 -1.287 0.000 1.186 287 I CA 0.240 61.004 61.300 -0.893 0.000 1.362 287 I CB 0.349 38.038 38.000 -0.518 0.000 1.432 287 I HN 0.740 nan 8.210 nan 0.000 0.454 288 E N 0.663 119.909 120.200 -1.590 0.000 2.427 288 E HA 0.346 4.696 4.350 -0.000 0.000 0.279 288 E C -1.104 175.339 176.600 -0.262 0.000 1.120 288 E CA -0.869 55.022 56.400 -0.848 0.000 0.869 288 E CB 1.844 31.337 29.700 -0.344 0.000 1.393 288 E HN -0.005 nan 8.360 nan 0.000 0.443 289 M N 2.114 121.699 119.600 -0.025 0.000 2.151 289 M HA 0.435 4.915 4.480 -0.000 0.000 0.290 289 M C -1.884 174.345 176.300 -0.120 0.000 0.965 289 M CA -0.589 54.628 55.300 -0.138 0.000 0.930 289 M CB 1.667 34.060 32.600 -0.345 0.000 1.560 289 M HN 0.474 nan 8.290 nan 0.000 0.438 290 N N 3.871 122.503 118.700 -0.112 0.000 2.406 290 N HA 0.166 4.906 4.740 -0.000 0.000 0.251 290 N C -0.271 175.219 175.510 -0.032 0.000 1.069 290 N CA -0.016 53.011 53.050 -0.039 0.000 0.947 290 N CB 1.399 39.880 38.487 -0.009 0.000 1.111 290 N HN 0.664 nan 8.380 nan 0.000 0.497 291 T N 0.669 115.249 114.554 0.044 0.000 4.309 291 T HA 0.260 4.610 4.350 -0.000 0.000 0.242 291 T C 0.553 175.380 174.700 0.212 0.000 1.142 291 T CA -0.561 61.646 62.100 0.179 0.000 1.042 291 T CB -0.546 68.460 68.868 0.230 0.000 1.366 291 T HN 0.705 nan 8.240 nan 0.000 0.942 292 R N -0.888 119.710 120.500 0.164 0.000 2.832 292 R HA 0.514 4.854 4.340 -0.000 0.000 0.283 292 R C -1.743 174.629 176.300 0.119 0.000 0.998 292 R CA -1.176 55.014 56.100 0.149 0.000 0.843 292 R CB 0.196 30.591 30.300 0.158 0.000 1.332 292 R HN 0.138 nan 8.270 nan 0.000 0.490 293 I N 1.274 121.914 120.570 0.117 0.000 2.696 293 I HA 0.146 4.316 4.170 -0.000 0.000 0.284 293 I C -0.225 175.970 176.117 0.130 0.000 1.129 293 I CA 0.362 61.710 61.300 0.080 0.000 1.410 293 I CB 1.088 39.098 38.000 0.017 0.000 1.399 293 I HN 0.521 nan 8.210 nan 0.000 0.579 294 Q N 3.693 123.558 119.800 0.109 0.000 2.297 294 Q HA 0.360 4.700 4.340 -0.000 0.000 0.269 294 Q C 0.874 176.909 176.000 0.060 0.000 1.051 294 Q CA -0.910 54.914 55.803 0.035 0.000 0.869 294 Q CB 1.969 30.719 28.738 0.021 0.000 1.346 294 Q HN 0.532 nan 8.270 nan 0.000 0.457 295 V N 1.205 120.918 119.914 -0.335 0.000 2.231 295 V HA -0.319 3.801 4.120 -0.000 0.000 0.248 295 V C 1.235 177.285 176.094 -0.073 0.000 1.054 295 V CA 2.350 64.445 62.300 -0.342 0.000 1.015 295 V CB -0.488 31.054 31.823 -0.467 0.000 0.638 295 V HN 0.783 nan 8.190 nan 0.000 0.444 296 E N 0.118 120.268 120.200 -0.084 0.000 2.510 296 E HA -0.198 4.152 4.350 -0.000 0.000 0.202 296 E C 1.821 178.394 176.600 -0.044 0.000 1.072 296 E CA 0.823 57.181 56.400 -0.069 0.000 0.883 296 E CB -0.663 29.018 29.700 -0.032 0.000 0.818 296 E HN 0.914 nan 8.360 nan 0.000 0.548 297 H N -0.557 118.510 119.070 -0.005 0.000 2.460 297 H HA -0.024 4.532 4.556 -0.000 0.000 0.297 297 H C -0.967 174.374 175.328 0.021 0.000 1.103 297 H CA 0.887 56.948 56.048 0.021 0.000 1.292 297 H CB -1.495 28.291 29.762 0.040 0.000 1.376 297 H HN 0.184 nan 8.280 nan 0.000 0.531 298 P HA -0.106 nan 4.420 nan 0.000 0.218 298 P C 2.168 179.413 177.300 -0.092 0.000 1.148 298 P CA 0.746 63.661 63.100 -0.308 0.000 0.822 298 P CB -0.127 31.359 31.700 -0.356 0.000 0.784 299 V N -0.614 119.259 119.914 -0.068 0.000 2.568 299 V HA -0.228 3.892 4.120 -0.000 0.000 0.253 299 V C 2.107 178.209 176.094 0.014 0.000 1.072 299 V CA 2.431 64.725 62.300 -0.011 0.000 1.084 299 V CB -1.342 30.474 31.823 -0.012 0.000 0.676 299 V HN 0.225 nan 8.190 nan 0.000 0.469 300 T N -0.929 113.642 114.554 0.029 0.000 2.976 300 T HA -0.070 4.280 4.350 -0.000 0.000 0.257 300 T C 1.675 176.405 174.700 0.050 0.000 1.051 300 T CA 0.992 63.120 62.100 0.048 0.000 1.141 300 T CB -0.070 68.841 68.868 0.072 0.000 0.881 300 T HN 0.597 nan 8.240 nan 0.000 0.461 301 E N 1.398 121.630 120.200 0.053 0.000 2.130 301 E HA -0.142 4.208 4.350 -0.000 0.000 0.196 301 E C 2.176 178.780 176.600 0.008 0.000 0.998 301 E CA 1.093 57.518 56.400 0.041 0.000 0.806 301 E CB -0.208 29.521 29.700 0.049 0.000 0.738 301 E HN 0.390 nan 8.360 nan 0.000 0.459 302 M N -0.029 119.573 119.600 0.003 0.000 2.117 302 M HA -0.115 4.365 4.480 -0.000 0.000 0.262 302 M C 2.366 178.684 176.300 0.030 0.000 1.065 302 M CA 1.305 56.578 55.300 -0.046 0.000 1.114 302 M CB -0.638 31.990 32.600 0.046 0.000 1.361 302 M HN 0.115 nan 8.290 nan 0.000 0.408 303 I N 0.319 120.969 120.570 0.133 0.000 2.761 303 I HA -0.166 4.004 4.170 -0.000 0.000 0.261 303 I C 2.113 178.296 176.117 0.111 0.000 1.198 303 I CA 1.316 62.724 61.300 0.180 0.000 1.482 303 I CB 0.004 38.064 38.000 0.099 0.000 1.100 303 I HN 0.433 nan 8.210 nan 0.000 0.445 304 T N -4.333 110.258 114.554 0.062 0.000 2.975 304 T HA 0.318 4.668 4.350 -0.000 0.000 0.261 304 T C 1.514 176.231 174.700 0.028 0.000 0.984 304 T CA 0.333 62.460 62.100 0.044 0.000 0.911 304 T CB 0.614 69.494 68.868 0.020 0.000 1.127 304 T HN 0.298 nan 8.240 nan 0.000 0.514 305 G N 1.327 110.134 108.800 0.011 0.000 2.166 305 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.260 305 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.260 305 G C 0.028 174.931 174.900 0.005 0.000 0.986 305 G CA 0.196 45.293 45.100 -0.005 0.000 0.683 305 G HN 0.782 nan 8.290 nan 0.000 0.527 306 V N 0.931 120.853 119.914 0.013 0.000 2.465 306 V HA 0.386 4.506 4.120 -0.000 0.000 0.279 306 V C 0.349 176.462 176.094 0.032 0.000 1.045 306 V CA -0.751 61.559 62.300 0.017 0.000 0.938 306 V CB 1.850 33.680 31.823 0.011 0.000 0.986 306 V HN 0.313 nan 8.190 nan 0.000 0.467 307 D N 4.191 124.609 120.400 0.029 0.000 2.402 307 D HA 0.101 4.741 4.640 -0.000 0.000 0.235 307 D C 0.816 177.142 176.300 0.044 0.000 1.226 307 D CA -0.341 53.684 54.000 0.042 0.000 0.918 307 D CB 1.290 42.107 40.800 0.029 0.000 1.043 307 D HN 0.276 nan 8.370 nan 0.000 0.506 308 L N 4.373 125.639 121.223 0.071 0.000 2.079 308 L HA -0.155 4.185 4.340 -0.000 0.000 0.210 308 L C 2.174 179.041 176.870 -0.005 0.000 1.081 308 L CA 1.251 56.114 54.840 0.039 0.000 0.752 308 L CB -0.581 41.514 42.059 0.060 0.000 0.896 308 L HN 0.533 nan 8.230 nan 0.000 0.433 309 I N -0.911 119.651 120.570 -0.014 0.000 2.202 309 I HA -0.292 3.878 4.170 -0.000 0.000 0.242 309 I C 2.332 178.455 176.117 0.009 0.000 1.091 309 I CA 1.155 62.443 61.300 -0.019 0.000 1.368 309 I CB -0.280 37.697 38.000 -0.038 0.000 1.058 309 I HN 0.172 nan 8.210 nan 0.000 0.410 310 K N 0.254 120.661 120.400 0.011 0.000 2.209 310 K HA -0.176 4.144 4.320 -0.000 0.000 0.204 310 K C 1.956 178.559 176.600 0.004 0.000 1.048 310 K CA 0.998 57.290 56.287 0.009 0.000 0.940 310 K CB -0.100 32.406 32.500 0.009 0.000 0.729 310 K HN 0.285 nan 8.250 nan 0.000 0.451 311 E N 1.031 121.234 120.200 0.005 0.000 2.107 311 E HA -0.151 4.199 4.350 -0.000 0.000 0.191 311 E C 2.036 178.632 176.600 -0.008 0.000 0.982 311 E CA 0.899 57.300 56.400 0.001 0.000 0.809 311 E CB 0.040 29.744 29.700 0.008 0.000 0.756 311 E HN 0.366 nan 8.360 nan 0.000 0.459 312 Q N 0.013 119.808 119.800 -0.008 0.000 2.030 312 Q HA -0.173 4.167 4.340 -0.000 0.000 0.204 312 Q C 2.126 178.096 176.000 -0.050 0.000 0.986 312 Q CA 1.000 56.784 55.803 -0.033 0.000 0.843 312 Q CB -0.086 28.645 28.738 -0.012 0.000 0.904 312 Q HN 0.171 nan 8.270 nan 0.000 0.420 313 L N 0.375 121.585 121.223 -0.022 0.000 2.083 313 L HA -0.167 4.173 4.340 -0.000 0.000 0.209 313 L C 2.299 179.153 176.870 -0.028 0.000 1.083 313 L CA 1.609 56.434 54.840 -0.025 0.000 0.752 313 L CB -0.827 41.231 42.059 -0.001 0.000 0.899 313 L HN 0.105 nan 8.230 nan 0.000 0.433 314 R N -0.653 119.836 120.500 -0.019 0.000 2.073 314 R HA -0.096 4.244 4.340 -0.000 0.000 0.234 314 R C 2.296 178.582 176.300 -0.023 0.000 1.134 314 R CA 1.251 57.341 56.100 -0.017 0.000 0.952 314 R CB -0.336 29.958 30.300 -0.010 0.000 0.850 314 R HN 0.236 nan 8.270 nan 0.000 0.433 315 I N 0.000 120.553 120.570 -0.030 0.000 2.493 315 I HA -0.222 3.948 4.170 -0.000 0.000 0.254 315 I C 2.070 178.160 176.117 -0.045 0.000 1.160 315 I CA 1.093 62.373 61.300 -0.035 0.000 1.445 315 I CB -0.095 37.882 38.000 -0.038 0.000 1.086 315 I HN 0.230 nan 8.210 nan 0.000 0.433 316 A N 0.155 122.940 122.820 -0.058 0.000 2.119 316 A HA 0.096 4.416 4.320 -0.000 0.000 0.217 316 A C 2.278 179.838 177.584 -0.039 0.000 1.153 316 A CA 1.268 53.267 52.037 -0.064 0.000 0.692 316 A CB -0.463 18.479 19.000 -0.096 0.000 0.799 316 A HN 0.387 nan 8.150 nan 0.000 0.458 317 A N -1.883 120.919 122.820 -0.030 0.000 2.251 317 A HA 0.437 4.757 4.320 -0.000 0.000 0.209 317 A C 1.672 179.247 177.584 -0.015 0.000 1.187 317 A CA 1.104 53.130 52.037 -0.018 0.000 0.823 317 A CB -0.642 18.350 19.000 -0.014 0.000 0.846 317 A HN 1.730 nan 8.150 nan 0.000 0.486 318 G N -1.330 107.459 108.800 -0.019 0.000 2.157 318 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.239 318 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.239 318 G C 0.156 175.048 174.900 -0.013 0.000 0.982 318 G CA 0.320 45.411 45.100 -0.016 0.000 0.650 318 G HN 0.581 nan 8.290 nan 0.000 0.527 319 Q N 0.620 120.412 119.800 -0.013 0.000 2.368 319 Q HA 0.532 4.872 4.340 -0.000 0.000 0.237 319 Q C -1.899 174.095 176.000 -0.010 0.000 0.987 319 Q CA -1.108 54.689 55.803 -0.010 0.000 0.896 319 Q CB 1.192 29.924 28.738 -0.009 0.000 1.241 319 Q HN 0.272 nan 8.270 nan 0.000 0.485 320 P HA 0.117 nan 4.420 nan 0.000 0.297 320 P C -1.191 176.106 177.300 -0.005 0.000 1.307 320 P CA -0.665 62.432 63.100 -0.005 0.000 0.773 320 P CB 0.528 32.225 31.700 -0.004 0.000 1.265 321 L N 0.639 121.861 121.223 -0.002 0.000 2.418 321 L HA 0.049 4.389 4.340 -0.000 0.000 0.274 321 L C 1.299 178.164 176.870 -0.008 0.000 1.135 321 L CA 0.967 55.806 54.840 -0.003 0.000 0.870 321 L CB -0.472 41.588 42.059 0.001 0.000 1.154 321 L HN 0.299 nan 8.230 nan 0.000 0.462 322 S N 4.523 120.218 115.700 -0.009 0.000 2.406 322 S HA 0.103 4.573 4.470 -0.000 0.000 0.228 322 S C 0.770 175.360 174.600 -0.017 0.000 1.020 322 S CA 0.433 58.626 58.200 -0.011 0.000 0.965 322 S CB -0.069 63.126 63.200 -0.008 0.000 0.798 322 S HN 0.439 nan 8.310 nan 0.000 0.488 323 I N 1.265 121.820 120.570 -0.025 0.000 2.577 323 I HA 0.523 4.693 4.170 -0.000 0.000 0.305 323 I C -0.111 175.975 176.117 -0.052 0.000 0.986 323 I CA -0.666 60.609 61.300 -0.041 0.000 1.189 323 I CB 1.059 39.027 38.000 -0.052 0.000 1.355 323 I HN -0.017 nan 8.210 nan 0.000 0.476 324 K N 1.750 122.108 120.400 -0.070 0.000 2.318 324 K HA 0.270 4.590 4.320 -0.000 0.000 0.249 324 K C 0.527 177.050 176.600 -0.128 0.000 0.942 324 K CA -0.628 55.613 56.287 -0.077 0.000 0.808 324 K CB 2.191 34.658 32.500 -0.055 0.000 1.189 324 K HN 0.325 nan 8.250 nan 0.000 0.428 325 Q N 1.752 121.467 119.800 -0.141 0.000 2.118 325 Q HA -0.273 4.066 4.340 -0.000 0.000 0.211 325 Q C 0.735 176.594 176.000 -0.236 0.000 0.998 325 Q CA 2.358 58.029 55.803 -0.219 0.000 0.872 325 Q CB 0.027 28.649 28.738 -0.193 0.000 0.925 325 Q HN 0.685 nan 8.270 nan 0.000 0.414 326 E N -0.444 119.659 120.200 -0.162 0.000 2.265 326 E HA -0.175 4.175 4.350 -0.000 0.000 0.196 326 E C 1.463 177.898 176.600 -0.274 0.000 0.996 326 E CA 1.240 57.550 56.400 -0.148 0.000 0.832 326 E CB -0.144 29.522 29.700 -0.057 0.000 0.756 326 E HN 0.500 nan 8.360 nan 0.000 0.491 327 E N 0.620 120.656 120.200 -0.274 0.000 2.478 327 E HA 0.037 4.387 4.350 -0.000 0.000 0.194 327 E C -0.371 175.911 176.600 -0.531 0.000 1.045 327 E CA -0.072 56.140 56.400 -0.314 0.000 0.868 327 E CB 0.644 30.265 29.700 -0.131 0.000 0.885 327 E HN 0.005 nan 8.360 nan 0.000 0.505 328 V N 2.077 121.677 119.914 -0.523 0.000 2.372 328 V HA 0.096 4.216 4.120 -0.000 0.000 0.261 328 V C -0.728 175.092 176.094 -0.457 0.000 1.055 328 V CA 0.008 62.066 62.300 -0.403 0.000 0.930 328 V CB 0.129 31.762 31.823 -0.316 0.000 1.031 328 V HN 0.191 nan 8.190 nan 0.000 0.479 329 H N 2.372 121.422 119.070 -0.033 0.000 2.529 329 H HA 0.534 5.090 4.556 0.000 0.000 0.348 329 H C -0.568 174.764 175.328 0.007 0.000 1.079 329 H CA -0.810 55.232 56.048 -0.011 0.000 1.198 329 H CB 2.022 31.784 29.762 0.001 0.000 1.521 329 H HN 0.405 nan 8.280 nan 0.000 0.514 330 V N 4.401 124.400 119.914 0.143 0.000 2.406 330 V HA 0.346 4.466 4.120 -0.000 0.000 0.272 330 V C 0.023 176.179 176.094 0.104 0.000 1.043 330 V CA -0.176 62.183 62.300 0.099 0.000 0.915 330 V CB 0.685 32.549 31.823 0.068 0.000 0.988 330 V HN 0.728 nan 8.190 nan 0.000 0.466 331 R N 3.190 123.763 120.500 0.122 0.000 2.628 331 R HA 0.691 5.031 4.340 -0.000 0.000 0.288 331 R C 0.449 176.839 176.300 0.151 0.000 0.980 331 R CA 0.250 56.428 56.100 0.130 0.000 0.891 331 R CB 1.976 32.369 30.300 0.154 0.000 1.188 331 R HN 1.030 nan 8.270 nan 0.000 0.450 332 G N 1.572 110.393 108.800 0.034 0.000 2.601 332 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.252 332 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.252 332 G C -1.112 173.696 174.900 -0.155 0.000 1.294 332 G CA -0.348 44.642 45.100 -0.183 0.000 0.912 332 G HN 0.663 nan 8.290 nan 0.000 0.574 333 H N -0.332 118.450 119.070 -0.481 0.000 2.996 333 H HA 0.666 5.222 4.556 -0.000 0.000 0.368 333 H C -0.252 174.922 175.328 -0.256 0.000 1.185 333 H CA 0.205 56.096 56.048 -0.262 0.000 1.160 333 H CB 1.684 31.315 29.762 -0.219 0.000 1.820 333 H HN 1.536 nan 8.280 nan 0.000 0.547 334 A N 3.172 125.831 122.820 -0.269 0.000 2.498 334 A HA 0.663 4.983 4.320 -0.000 0.000 0.298 334 A C -1.380 176.231 177.584 0.044 0.000 1.075 334 A CA -0.517 51.522 52.037 0.002 0.000 0.714 334 A CB 1.727 20.795 19.000 0.114 0.000 1.299 334 A HN 0.291 nan 8.150 nan 0.000 0.407 335 V N 0.826 120.811 119.914 0.118 0.000 2.876 335 V HA 0.661 4.781 4.120 -0.000 0.000 0.312 335 V C -0.389 175.769 176.094 0.107 0.000 1.085 335 V CA -0.549 61.837 62.300 0.144 0.000 0.945 335 V CB 1.871 33.824 31.823 0.216 0.000 1.017 335 V HN 0.981 nan 8.190 nan 0.000 0.428 336 E N 2.237 122.490 120.200 0.088 0.000 2.241 336 E HA 0.477 4.827 4.350 -0.000 0.000 0.263 336 E C -1.737 174.890 176.600 0.045 0.000 0.882 336 E CA -0.425 56.007 56.400 0.054 0.000 0.769 336 E CB 1.786 31.491 29.700 0.008 0.000 1.185 336 E HN 0.747 nan 8.360 nan 0.000 0.415 337 C N 5.017 124.351 119.300 0.058 0.000 2.264 337 C HA 0.464 4.924 4.460 -0.000 0.000 0.324 337 C C 0.263 175.284 174.990 0.053 0.000 1.267 337 C CA -0.678 58.369 59.018 0.049 0.000 1.618 337 C CB -0.110 27.673 27.740 0.071 0.000 2.278 337 C HN 0.694 nan 8.230 nan 0.000 0.499 338 R N 3.002 123.518 120.500 0.026 0.000 2.490 338 R HA 0.476 4.816 4.340 -0.000 0.000 0.280 338 R C -0.443 175.895 176.300 0.064 0.000 1.077 338 R CA -0.198 55.917 56.100 0.025 0.000 1.065 338 R CB 0.563 30.863 30.300 0.000 0.000 1.003 338 R HN 0.542 nan 8.270 nan 0.000 0.470 339 I N 3.551 124.171 120.570 0.084 0.000 2.355 339 I HA 0.259 4.429 4.170 -0.000 0.000 0.288 339 I C -0.365 175.813 176.117 0.103 0.000 0.999 339 I CA -0.600 60.776 61.300 0.127 0.000 1.163 339 I CB 1.038 39.183 38.000 0.240 0.000 1.316 339 I HN 0.551 nan 8.210 nan 0.000 0.454 340 N N 4.256 123.010 118.700 0.090 0.000 2.328 340 N HA 0.548 5.288 4.740 -0.000 0.000 0.299 340 N C -0.367 175.185 175.510 0.069 0.000 1.179 340 N CA -0.632 52.467 53.050 0.080 0.000 0.793 340 N CB 2.518 41.051 38.487 0.077 0.000 1.366 340 N HN 0.569 nan 8.380 nan 0.000 0.493 341 A N 1.116 123.973 122.820 0.061 0.000 2.923 341 A HA 0.387 4.707 4.320 -0.000 0.000 0.306 341 A C -0.270 177.329 177.584 0.024 0.000 1.542 341 A CA -0.289 51.771 52.037 0.038 0.000 1.225 341 A CB -0.563 18.456 19.000 0.031 0.000 1.147 341 A HN 0.670 nan 8.150 nan 0.000 0.542 342 E N 0.715 120.922 120.200 0.011 0.000 2.410 342 E HA 0.340 4.690 4.350 -0.000 0.000 0.269 342 E C -1.326 175.231 176.600 -0.072 0.000 0.937 342 E CA -1.064 55.332 56.400 -0.007 0.000 0.793 342 E CB 1.279 30.998 29.700 0.032 0.000 1.314 342 E HN 0.377 nan 8.360 nan 0.000 0.447 343 D N 1.692 122.031 120.400 -0.102 0.000 2.317 343 D HA 0.086 4.726 4.640 -0.000 0.000 0.252 343 D C -1.606 174.472 176.300 -0.370 0.000 1.174 343 D CA -2.109 51.792 54.000 -0.164 0.000 0.866 343 D CB 1.185 41.911 40.800 -0.123 0.000 1.127 343 D HN 0.098 nan 8.370 nan 0.000 0.467 344 P HA -0.072 nan 4.420 nan 0.000 0.226 344 P C 0.691 177.571 177.300 -0.701 0.000 1.153 344 P CA 0.785 63.553 63.100 -0.554 0.000 0.777 344 P CB 0.100 31.641 31.700 -0.265 0.000 0.794 345 N N -1.547 116.886 118.700 -0.445 0.000 2.184 345 N HA 0.030 4.770 4.740 -0.000 0.000 0.206 345 N C 0.853 176.260 175.510 -0.170 0.000 1.151 345 N CA 0.590 53.478 53.050 -0.269 0.000 0.878 345 N CB 0.131 38.543 38.487 -0.124 0.000 1.014 345 N HN 0.139 nan 8.380 nan 0.000 0.512 346 T N -3.817 110.593 114.554 -0.240 0.000 3.051 346 T HA 0.224 4.574 4.350 -0.000 0.000 0.254 346 T C 0.193 174.990 174.700 0.161 0.000 0.916 346 T CA -0.070 62.033 62.100 0.004 0.000 0.894 346 T CB -0.311 68.557 68.868 -0.000 0.000 1.251 346 T HN 0.018 nan 8.240 nan 0.000 0.517 347 F N 0.108 120.057 119.950 -0.003 0.000 2.926 347 F HA -0.066 4.461 4.527 -0.000 0.000 0.288 347 F C -0.268 175.532 175.800 -0.000 0.000 0.756 347 F CA -0.399 57.600 58.000 -0.002 0.000 1.292 347 F CB -2.008 36.990 39.000 -0.004 0.000 1.482 347 F HN 0.277 nan 8.300 nan 0.000 0.400 348 L N 2.904 124.178 121.223 0.085 0.000 2.305 348 L HA 0.494 4.834 4.340 -0.000 0.000 0.281 348 L C -1.615 175.273 176.870 0.030 0.000 1.085 348 L CA -2.425 52.449 54.840 0.056 0.000 0.813 348 L CB 0.073 42.147 42.059 0.024 0.000 1.157 348 L HN -0.301 nan 8.230 nan 0.000 0.436 349 P HA -0.042 nan 4.420 nan 0.000 0.267 349 P C -0.499 176.798 177.300 -0.004 0.000 1.195 349 P CA 0.072 63.184 63.100 0.020 0.000 0.773 349 P CB 0.495 32.203 31.700 0.014 0.000 0.837 350 S N 1.414 117.108 115.700 -0.010 0.000 2.128 350 S HA 0.355 4.825 4.470 -0.000 0.000 0.157 350 S C -2.520 172.055 174.600 -0.041 0.000 1.650 350 S CA -1.571 56.613 58.200 -0.026 0.000 1.269 350 S CB -0.471 62.714 63.200 -0.024 0.000 1.227 350 S HN 0.203 nan 8.310 nan 0.000 0.405 351 P HA 0.553 nan 4.420 nan 0.000 0.269 351 P C 0.427 177.669 177.300 -0.097 0.000 1.215 351 P CA 0.445 63.487 63.100 -0.095 0.000 0.780 351 P CB 0.808 32.421 31.700 -0.143 0.000 0.898 352 G N 0.113 108.840 108.800 -0.122 0.000 2.315 352 G HA2 0.313 4.273 3.960 -0.000 0.000 0.294 352 G HA3 0.313 4.273 3.960 -0.000 0.000 0.294 352 G C -1.901 172.912 174.900 -0.145 0.000 1.300 352 G CA -0.778 44.255 45.100 -0.112 0.000 0.843 352 G HN 0.648 nan 8.290 nan 0.000 0.527 353 K N 0.517 120.848 120.400 -0.114 0.000 2.240 353 K HA 0.601 4.921 4.320 -0.000 0.000 0.271 353 K C -0.084 176.466 176.600 -0.083 0.000 1.018 353 K CA -0.718 55.493 56.287 -0.127 0.000 0.874 353 K CB 0.662 33.105 32.500 -0.096 0.000 1.098 353 K HN 0.384 nan 8.250 nan 0.000 0.458 354 I N 4.940 125.455 120.570 -0.092 0.000 2.436 354 I HA -0.023 4.147 4.170 -0.000 0.000 0.289 354 I C 1.503 177.625 176.117 0.008 0.000 1.083 354 I CA -0.143 61.142 61.300 -0.026 0.000 1.372 354 I CB 1.159 39.143 38.000 -0.025 0.000 1.408 354 I HN 0.819 nan 8.210 nan 0.000 0.516 355 T N 2.709 117.281 114.554 0.031 0.000 3.040 355 T HA 0.149 4.499 4.350 -0.000 0.000 0.252 355 T C 0.825 175.574 174.700 0.081 0.000 1.064 355 T CA 0.005 62.132 62.100 0.046 0.000 1.110 355 T CB 0.290 69.174 68.868 0.027 0.000 0.921 355 T HN 0.543 nan 8.240 nan 0.000 0.480 356 R N -0.160 120.403 120.500 0.105 0.000 2.574 356 R HA 0.618 4.958 4.340 -0.000 0.000 0.288 356 R C -2.361 174.075 176.300 0.227 0.000 1.004 356 R CA -0.952 55.227 56.100 0.131 0.000 0.895 356 R CB 1.612 31.958 30.300 0.076 0.000 1.191 356 R HN 0.259 nan 8.270 nan 0.000 0.444 357 F N 3.833 123.816 119.950 0.055 0.000 2.581 357 F HA 0.454 4.981 4.527 0.000 0.000 0.311 357 F C -1.691 174.154 175.800 0.075 0.000 1.113 357 F CA -0.478 57.549 58.000 0.046 0.000 0.935 357 F CB 1.732 40.760 39.000 0.048 0.000 1.232 357 F HN 0.517 nan 8.300 nan 0.000 0.445 358 H N 4.241 122.717 119.070 -0.990 0.000 2.877 358 H HA 0.728 5.284 4.556 -0.000 0.000 0.347 358 H C -1.596 173.015 175.328 -1.196 0.000 1.042 358 H CA -0.413 55.081 56.048 -0.923 0.000 1.276 358 H CB 1.864 31.377 29.762 -0.416 0.000 1.681 358 H HN 0.963 nan 8.280 nan 0.000 0.521 359 A N 5.839 127.692 122.820 -1.612 0.000 2.295 359 A HA 0.576 4.896 4.320 -0.000 0.000 0.318 359 A C -2.482 174.640 177.584 -0.770 0.000 1.134 359 A CA -1.531 49.779 52.037 -1.211 0.000 0.827 359 A CB 0.600 19.002 19.000 -0.997 0.000 1.136 359 A HN 0.469 nan 8.150 nan 0.000 0.493 360 P HA 0.520 nan 4.420 nan 0.000 0.276 360 P C 0.079 177.299 177.300 -0.134 0.000 1.244 360 P CA 0.035 62.996 63.100 -0.232 0.000 0.801 360 P CB 1.431 33.039 31.700 -0.153 0.000 1.006 361 G N -1.278 107.499 108.800 -0.038 0.000 2.766 361 G HA2 0.742 4.702 3.960 -0.000 0.000 0.288 361 G HA3 0.742 4.702 3.960 -0.000 0.000 0.288 361 G C -0.662 174.273 174.900 0.058 0.000 1.408 361 G CA -0.519 44.589 45.100 0.013 0.000 0.852 361 G HN 0.810 nan 8.290 nan 0.000 0.487 362 G N -1.638 107.214 108.800 0.087 0.000 2.353 362 G HA2 0.389 4.349 3.960 -0.000 0.000 0.615 362 G HA3 0.389 4.349 3.960 -0.000 0.000 0.615 362 G C -1.019 174.016 174.900 0.226 0.000 1.280 362 G CA -0.528 44.653 45.100 0.135 0.000 1.000 362 G HN 1.368 nan 8.290 nan 0.000 0.516 363 F N 2.439 122.416 119.950 0.046 0.000 2.506 363 F HA 0.486 5.013 4.527 -0.000 0.000 0.371 363 F C 1.556 177.405 175.800 0.081 0.000 1.078 363 F CA 0.539 58.572 58.000 0.056 0.000 1.195 363 F CB 0.457 39.489 39.000 0.053 0.000 1.099 363 F HN 2.149 nan 8.300 nan 0.000 0.548 364 G N 3.960 112.823 108.800 0.105 0.000 2.143 364 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.248 364 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.248 364 G C -0.559 174.388 174.900 0.079 0.000 0.991 364 G CA 0.200 45.285 45.100 -0.026 0.000 0.689 364 G HN 0.734 nan 8.290 nan 0.000 0.522 365 V N 0.449 120.431 119.914 0.114 0.000 2.417 365 V HA 0.718 4.838 4.120 -0.000 0.000 0.291 365 V C 0.481 176.658 176.094 0.138 0.000 1.024 365 V CA -0.641 61.733 62.300 0.124 0.000 0.861 365 V CB 1.745 33.639 31.823 0.118 0.000 0.985 365 V HN 0.478 nan 8.190 nan 0.000 0.436 366 R N 4.908 125.501 120.500 0.155 0.000 2.451 366 R HA 0.334 4.674 4.340 -0.000 0.000 0.307 366 R C -1.483 174.965 176.300 0.248 0.000 0.965 366 R CA -0.554 55.641 56.100 0.159 0.000 0.865 366 R CB 1.306 31.656 30.300 0.083 0.000 1.174 366 R HN 0.843 nan 8.270 nan 0.000 0.455 367 W N 6.538 127.862 121.300 0.040 0.000 2.361 367 W HA 0.345 5.005 4.660 -0.000 0.000 0.314 367 W C -1.272 175.280 176.519 0.054 0.000 1.041 367 W CA -0.604 56.774 57.345 0.054 0.000 1.241 367 W CB 1.640 31.140 29.460 0.067 0.000 1.279 367 W HN 0.547 nan 8.180 nan 0.000 0.436 368 E N 4.840 124.693 120.200 -0.579 0.000 2.141 368 E HA 0.300 4.650 4.350 -0.000 0.000 0.259 368 E C -0.958 175.156 176.600 -0.810 0.000 0.883 368 E CA -0.234 55.848 56.400 -0.529 0.000 0.744 368 E CB 1.923 31.449 29.700 -0.289 0.000 1.150 368 E HN 0.337 nan 8.360 nan 0.000 0.420 369 S N 1.692 117.003 115.700 -0.648 0.000 2.580 369 S HA 0.143 4.613 4.470 -0.000 0.000 0.281 369 S C 0.022 174.572 174.600 -0.084 0.000 1.129 369 S CA -0.662 57.294 58.200 -0.406 0.000 0.862 369 S CB 0.531 63.235 63.200 -0.827 0.000 1.090 369 S HN 0.603 nan 8.310 nan 0.000 0.451 370 H N 3.222 122.184 119.070 -0.180 0.000 2.553 370 H HA 0.305 4.861 4.556 -0.000 0.000 0.265 370 H C 1.077 176.304 175.328 -0.169 0.000 0.964 370 H CA 0.300 56.269 56.048 -0.132 0.000 1.156 370 H CB -1.009 28.662 29.762 -0.153 0.000 1.411 370 H HN 0.692 nan 8.280 nan 0.000 0.558 371 I N -0.080 120.026 120.570 -0.774 0.000 2.938 371 I HA 0.295 4.465 4.170 -0.000 0.000 0.285 371 I C -0.553 175.299 176.117 -0.442 0.000 1.182 371 I CA -0.779 60.071 61.300 -0.750 0.000 1.388 371 I CB 0.382 37.995 38.000 -0.645 0.000 1.390 371 I HN 0.038 nan 8.210 nan 0.000 0.600 372 Y N 2.580 122.625 120.300 -0.426 0.000 2.581 372 Y HA 0.756 5.306 4.550 -0.000 0.000 0.337 372 Y C -0.436 175.455 175.900 -0.015 0.000 1.108 372 Y CA -1.593 56.386 58.100 -0.202 0.000 1.033 372 Y CB 0.417 38.841 38.460 -0.060 0.000 1.318 372 Y HN 0.870 nan 8.280 nan 0.000 0.459 373 A N 1.402 124.397 122.820 0.291 0.000 2.546 373 A HA 0.441 4.761 4.320 -0.000 0.000 0.243 373 A C 1.421 179.123 177.584 0.197 0.000 1.063 373 A CA 1.091 53.270 52.037 0.237 0.000 0.757 373 A CB -1.212 17.958 19.000 0.283 0.000 0.991 373 A HN 2.325 nan 8.150 nan 0.000 0.503 374 G N 0.468 109.318 108.800 0.083 0.000 2.194 374 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.236 374 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.236 374 G C 0.116 174.993 174.900 -0.038 0.000 0.987 374 G CA 0.436 45.574 45.100 0.065 0.000 0.635 374 G HN 1.627 nan 8.290 nan 0.000 0.520 375 Y N 2.230 122.295 120.300 -0.393 0.000 2.346 375 Y HA 0.592 5.142 4.550 -0.000 0.000 0.330 375 Y C 0.346 176.071 175.900 -0.292 0.000 1.178 375 Y CA 0.455 58.203 58.100 -0.586 0.000 1.331 375 Y CB 1.266 39.017 38.460 -1.182 0.000 1.253 375 Y HN 0.033 nan 8.280 nan 0.000 0.529 376 T N 6.634 120.501 114.554 -1.146 0.000 2.743 376 T HA 0.328 4.678 4.350 -0.000 0.000 0.292 376 T C -0.891 173.168 174.700 -1.068 0.000 0.972 376 T CA -0.567 61.032 62.100 -0.834 0.000 0.967 376 T CB 0.209 68.837 68.868 -0.400 0.000 0.926 376 T HN 0.477 nan 8.240 nan 0.000 0.459 377 V N 8.435 127.980 119.914 -0.616 0.000 2.439 377 V HA 0.218 4.338 4.120 -0.000 0.000 0.271 377 V C -1.750 174.224 176.094 -0.200 0.000 1.040 377 V CA -1.569 60.550 62.300 -0.301 0.000 1.002 377 V CB 0.087 31.841 31.823 -0.114 0.000 1.000 377 V HN 0.681 nan 8.190 nan 0.000 0.477 378 P HA 0.301 nan 4.420 nan 0.000 0.276 378 P C -2.184 174.961 177.300 -0.259 0.000 1.244 378 P CA -1.883 61.098 63.100 -0.198 0.000 0.801 378 P CB 0.655 32.336 31.700 -0.033 0.000 1.006 379 P HA -0.060 nan 4.420 nan 0.000 0.230 379 P C 1.029 178.096 177.300 -0.388 0.000 1.168 379 P CA 1.142 63.991 63.100 -0.418 0.000 0.793 379 P CB -0.176 31.238 31.700 -0.478 0.000 0.851 380 Y N -0.127 120.001 120.300 -0.286 0.000 2.097 380 Y HA -0.165 4.385 4.550 -0.000 0.000 0.282 380 Y C 1.678 177.295 175.900 -0.473 0.000 1.152 380 Y CA 0.771 58.567 58.100 -0.507 0.000 1.136 380 Y CB -2.166 35.800 38.460 -0.823 0.000 0.975 380 Y HN -0.044 nan 8.280 nan 0.000 0.498 381 Y N 0.099 120.542 120.300 0.239 0.000 2.540 381 Y HA 0.185 4.735 4.550 -0.000 0.000 0.371 381 Y C 0.958 176.917 175.900 0.099 0.000 1.337 381 Y CA -1.828 56.384 58.100 0.187 0.000 1.590 381 Y CB -0.476 38.105 38.460 0.202 0.000 1.676 381 Y HN -0.055 nan 8.280 nan 0.000 0.614 382 D N -0.299 120.256 120.400 0.258 0.000 2.361 382 D HA -0.043 4.597 4.640 -0.000 0.000 0.239 382 D C 0.752 177.125 176.300 0.122 0.000 1.200 382 D CA 0.517 54.594 54.000 0.128 0.000 0.915 382 D CB 1.290 42.123 40.800 0.055 0.000 1.170 382 D HN 0.593 nan 8.370 nan 0.000 0.444 383 S N 1.498 117.250 115.700 0.086 0.000 2.562 383 S HA -0.017 4.453 4.470 -0.000 0.000 0.221 383 S C 1.198 175.852 174.600 0.090 0.000 0.975 383 S CA -0.408 57.842 58.200 0.082 0.000 0.918 383 S CB -0.257 62.983 63.200 0.067 0.000 0.772 383 S HN 0.615 nan 8.310 nan 0.000 0.531 384 M N 2.793 122.446 119.600 0.089 0.000 2.185 384 M HA 0.384 4.864 4.480 -0.000 0.000 0.357 384 M C 0.392 176.775 176.300 0.138 0.000 1.260 384 M CA -0.255 55.099 55.300 0.090 0.000 1.124 384 M CB 0.744 33.379 32.600 0.058 0.000 1.600 384 M HN 0.420 nan 8.290 nan 0.000 0.467 385 I N 1.254 121.906 120.570 0.136 0.000 4.240 385 I HA 0.629 4.799 4.170 -0.000 0.000 0.331 385 I C 0.275 176.441 176.117 0.082 0.000 1.381 385 I CA -0.288 61.118 61.300 0.177 0.000 1.136 385 I CB 0.548 38.599 38.000 0.085 0.000 1.137 385 I HN 0.699 nan 8.210 nan 0.000 0.411 386 G N 1.296 110.103 108.800 0.012 0.000 2.387 386 G HA2 0.481 4.441 3.960 -0.000 0.000 0.294 386 G HA3 0.481 4.441 3.960 -0.000 0.000 0.294 386 G C -2.029 172.739 174.900 -0.220 0.000 1.509 386 G CA -0.906 44.053 45.100 -0.234 0.000 0.806 386 G HN 0.107 nan 8.290 nan 0.000 0.546 387 K N -0.334 119.792 120.400 -0.457 0.000 2.427 387 K HA 0.669 4.989 4.320 -0.000 0.000 0.252 387 K C -1.387 175.114 176.600 -0.164 0.000 0.931 387 K CA -0.810 55.351 56.287 -0.210 0.000 0.793 387 K CB 2.966 35.367 32.500 -0.166 0.000 1.211 387 K HN 0.401 nan 8.250 nan 0.000 0.426 388 L N 3.902 125.200 121.223 0.126 0.000 2.325 388 L HA 0.569 4.909 4.340 -0.000 0.000 0.281 388 L C -1.697 175.272 176.870 0.165 0.000 1.004 388 L CA -0.488 54.532 54.840 0.301 0.000 0.823 388 L CB 0.942 43.272 42.059 0.452 0.000 1.236 388 L HN 0.580 nan 8.230 nan 0.000 0.415 389 I N 4.903 125.563 120.570 0.150 0.000 2.436 389 I HA 0.501 4.671 4.170 -0.000 0.000 0.289 389 I C -0.698 175.495 176.117 0.127 0.000 1.010 389 I CA -0.092 61.271 61.300 0.105 0.000 1.098 389 I CB 1.752 39.782 38.000 0.050 0.000 1.266 389 I HN 0.515 nan 8.210 nan 0.000 0.434 390 C N 4.870 124.247 119.300 0.128 0.000 2.507 390 C HA 0.620 5.080 4.460 -0.000 0.000 0.319 390 C C -0.697 174.389 174.990 0.159 0.000 1.208 390 C CA -0.849 58.247 59.018 0.130 0.000 1.619 390 C CB 1.391 29.195 27.740 0.108 0.000 2.230 390 C HN 0.707 nan 8.230 nan 0.000 0.492 391 Y N 0.708 120.997 120.300 -0.018 0.000 2.536 391 Y HA 0.794 5.344 4.550 -0.000 0.000 0.347 391 Y C 0.155 176.000 175.900 -0.091 0.000 1.000 391 Y CA 0.208 58.284 58.100 -0.041 0.000 1.051 391 Y CB 1.872 40.291 38.460 -0.068 0.000 1.259 391 Y HN 0.861 nan 8.280 nan 0.000 0.468 392 G N 2.753 111.168 108.800 -0.642 0.000 2.721 392 G HA2 0.308 4.268 3.960 -0.000 0.000 0.296 392 G HA3 0.308 4.268 3.960 -0.000 0.000 0.296 392 G C -0.860 173.666 174.900 -0.623 0.000 1.383 392 G CA -0.731 44.098 45.100 -0.452 0.000 0.788 392 G HN 0.555 nan 8.290 nan 0.000 0.500 393 E N -0.398 119.630 120.200 -0.286 0.000 2.158 393 E HA 0.085 4.435 4.350 -0.000 0.000 0.191 393 E C 0.610 177.106 176.600 -0.174 0.000 0.982 393 E CA 0.765 57.051 56.400 -0.189 0.000 0.823 393 E CB 0.106 29.758 29.700 -0.079 0.000 0.766 393 E HN 0.491 nan 8.360 nan 0.000 0.468 394 N N -0.778 117.817 118.700 -0.176 0.000 2.469 394 N HA 0.289 5.029 4.740 -0.000 0.000 0.286 394 N C 0.192 175.571 175.510 -0.219 0.000 1.275 394 N CA -0.768 52.182 53.050 -0.166 0.000 0.790 394 N CB 1.572 39.971 38.487 -0.147 0.000 1.446 394 N HN -0.161 nan 8.380 nan 0.000 0.501 395 R N 0.373 120.651 120.500 -0.371 0.000 2.115 395 R HA -0.095 4.245 4.340 -0.000 0.000 0.230 395 R C 0.223 176.336 176.300 -0.311 0.000 1.111 395 R CA 1.537 57.285 56.100 -0.587 0.000 0.976 395 R CB -0.040 29.667 30.300 -0.988 0.000 0.870 395 R HN 0.592 nan 8.270 nan 0.000 0.445 396 D N -0.007 120.249 120.400 -0.239 0.000 2.117 396 D HA -0.131 4.509 4.640 -0.000 0.000 0.197 396 D C 1.935 178.171 176.300 -0.106 0.000 0.987 396 D CA 1.255 55.160 54.000 -0.158 0.000 0.829 396 D CB -0.120 40.606 40.800 -0.123 0.000 0.961 396 D HN 0.103 nan 8.370 nan 0.000 0.460 397 V N 1.685 121.535 119.914 -0.108 0.000 2.295 397 V HA -0.238 3.882 4.120 -0.000 0.000 0.246 397 V C 2.618 178.677 176.094 -0.059 0.000 1.049 397 V CA 1.826 64.078 62.300 -0.080 0.000 1.024 397 V CB -0.940 30.825 31.823 -0.096 0.000 0.648 397 V HN 0.171 nan 8.190 nan 0.000 0.447 398 A N -0.077 122.700 122.820 -0.071 0.000 1.908 398 A HA -0.204 4.116 4.320 -0.000 0.000 0.218 398 A C 2.212 179.817 177.584 0.034 0.000 1.181 398 A CA 2.142 54.171 52.037 -0.013 0.000 0.627 398 A CB -0.587 18.421 19.000 0.013 0.000 0.818 398 A HN 0.514 nan 8.150 nan 0.000 0.445 399 I N -0.518 120.059 120.570 0.012 0.000 2.252 399 I HA -0.233 3.937 4.170 -0.000 0.000 0.245 399 I C 2.939 179.090 176.117 0.057 0.000 1.102 399 I CA 0.945 62.281 61.300 0.061 0.000 1.385 399 I CB -0.260 37.742 38.000 0.002 0.000 1.064 399 I HN 0.357 nan 8.210 nan 0.000 0.414 400 A N 0.788 123.620 122.820 0.019 0.000 1.933 400 A HA -0.186 4.134 4.320 -0.000 0.000 0.218 400 A C 2.363 179.968 177.584 0.034 0.000 1.175 400 A CA 1.398 53.449 52.037 0.023 0.000 0.628 400 A CB -0.495 18.506 19.000 0.002 0.000 0.814 400 A HN 0.324 nan 8.150 nan 0.000 0.444 401 R N -1.872 118.648 120.500 0.033 0.000 2.090 401 R HA -0.050 4.290 4.340 -0.000 0.000 0.228 401 R C 2.156 178.493 176.300 0.062 0.000 1.110 401 R CA 1.422 57.549 56.100 0.044 0.000 0.973 401 R CB -0.369 29.954 30.300 0.038 0.000 0.869 401 R HN 0.534 nan 8.270 nan 0.000 0.440 402 M N 1.633 121.278 119.600 0.076 0.000 2.065 402 M HA -0.173 4.307 4.480 -0.000 0.000 0.259 402 M C 1.682 178.029 176.300 0.077 0.000 1.069 402 M CA 1.825 57.180 55.300 0.092 0.000 1.110 402 M CB -0.101 32.572 32.600 0.122 0.000 1.328 402 M HN -0.119 nan 8.290 nan 0.000 0.405 403 K N -0.167 120.277 120.400 0.073 0.000 2.020 403 K HA -0.203 4.117 4.320 -0.000 0.000 0.212 403 K C 1.836 178.462 176.600 0.043 0.000 1.050 403 K CA 2.264 58.586 56.287 0.060 0.000 0.929 403 K CB -0.606 31.929 32.500 0.057 0.000 0.714 403 K HN 0.594 nan 8.250 nan 0.000 0.443 404 N N 0.402 119.126 118.700 0.040 0.000 2.084 404 N HA -0.175 4.565 4.740 -0.000 0.000 0.190 404 N C 1.938 177.463 175.510 0.025 0.000 1.030 404 N CA 0.854 53.923 53.050 0.030 0.000 0.849 404 N CB -0.183 38.324 38.487 0.033 0.000 1.012 404 N HN 0.201 nan 8.380 nan 0.000 0.423 405 A N 1.419 124.260 122.820 0.036 0.000 1.908 405 A HA -0.125 4.195 4.320 -0.000 0.000 0.218 405 A C 2.167 179.757 177.584 0.009 0.000 1.181 405 A CA 1.221 53.274 52.037 0.027 0.000 0.627 405 A CB -0.786 18.249 19.000 0.057 0.000 0.818 405 A HN 0.177 nan 8.150 nan 0.000 0.445 406 L N -1.146 120.094 121.223 0.029 0.000 2.141 406 L HA -0.212 4.128 4.340 -0.000 0.000 0.209 406 L C 2.782 179.654 176.870 0.003 0.000 1.094 406 L CA 1.378 56.231 54.840 0.022 0.000 0.763 406 L CB -0.471 41.613 42.059 0.041 0.000 0.908 406 L HN 0.440 nan 8.230 nan 0.000 0.437 407 Q N -0.219 119.584 119.800 0.006 0.000 2.170 407 Q HA -0.225 4.115 4.340 -0.000 0.000 0.203 407 Q C 2.048 178.037 176.000 -0.019 0.000 0.976 407 Q CA 1.464 57.266 55.803 -0.003 0.000 0.858 407 Q CB 0.014 28.754 28.738 0.003 0.000 0.907 407 Q HN 0.508 nan 8.270 nan 0.000 0.433 408 E N -0.060 120.125 120.200 -0.025 0.000 2.216 408 E HA -0.072 4.278 4.350 -0.000 0.000 0.192 408 E C -0.101 176.464 176.600 -0.060 0.000 0.988 408 E CA -0.208 56.172 56.400 -0.033 0.000 0.834 408 E CB 0.174 29.860 29.700 -0.023 0.000 0.772 408 E HN 0.108 nan 8.360 nan 0.000 0.479 409 L N 1.757 122.919 121.223 -0.102 0.000 2.513 409 L HA 0.087 4.427 4.340 -0.000 0.000 0.272 409 L C -0.539 176.269 176.870 -0.104 0.000 1.187 409 L CA 0.901 55.636 54.840 -0.175 0.000 0.895 409 L CB 0.266 42.237 42.059 -0.148 0.000 1.147 409 L HN -0.074 nan 8.230 nan 0.000 0.483 410 I N 6.501 126.989 120.570 -0.136 0.000 2.447 410 I HA 0.405 4.575 4.170 -0.000 0.000 0.287 410 I C -0.781 175.387 176.117 0.085 0.000 1.023 410 I CA -0.131 61.149 61.300 -0.034 0.000 1.083 410 I CB 1.277 39.257 38.000 -0.033 0.000 1.245 410 I HN 0.468 nan 8.210 nan 0.000 0.434 411 I N 5.673 126.319 120.570 0.128 0.000 2.517 411 I HA 0.336 4.506 4.170 -0.000 0.000 0.280 411 I C -1.373 174.807 176.117 0.105 0.000 1.061 411 I CA -0.557 60.858 61.300 0.191 0.000 1.091 411 I CB 1.370 39.486 38.000 0.193 0.000 1.205 411 I HN 0.356 nan 8.210 nan 0.000 0.459 412 D N 3.659 124.118 120.400 0.099 0.000 2.198 412 D HA 0.651 5.291 4.640 -0.000 0.000 0.247 412 D C 0.900 177.222 176.300 0.038 0.000 1.010 412 D CA 0.316 54.349 54.000 0.055 0.000 0.880 412 D CB 2.227 43.056 40.800 0.048 0.000 1.209 412 D HN 0.785 nan 8.370 nan 0.000 0.451 413 G N 0.562 109.371 108.800 0.016 0.000 2.195 413 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.224 413 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.224 413 G C 0.241 175.133 174.900 -0.014 0.000 0.990 413 G CA 0.301 45.400 45.100 -0.001 0.000 0.639 413 G HN 0.630 nan 8.290 nan 0.000 0.514 414 I N -3.112 117.454 120.570 -0.006 0.000 3.006 414 I HA 0.803 4.973 4.170 -0.000 0.000 0.306 414 I C -0.791 175.322 176.117 -0.007 0.000 1.250 414 I CA -1.597 59.695 61.300 -0.013 0.000 0.996 414 I CB 1.740 39.728 38.000 -0.020 0.000 1.261 414 I HN -0.093 nan 8.210 nan 0.000 0.442 415 K N 2.246 122.636 120.400 -0.017 0.000 2.249 415 K HA 0.567 4.887 4.320 -0.000 0.000 0.280 415 K C -0.155 176.437 176.600 -0.013 0.000 1.033 415 K CA 0.043 56.316 56.287 -0.023 0.000 0.946 415 K CB 1.322 33.797 32.500 -0.042 0.000 1.005 415 K HN 0.844 nan 8.250 nan 0.000 0.469 416 T N -0.960 113.589 114.554 -0.010 0.000 2.864 416 T HA 0.270 4.620 4.350 -0.000 0.000 0.289 416 T C 0.551 175.245 174.700 -0.010 0.000 1.082 416 T CA -0.850 61.256 62.100 0.010 0.000 1.009 416 T CB 1.239 70.136 68.868 0.047 0.000 1.234 416 T HN 0.346 nan 8.240 nan 0.000 0.526 417 N N -0.066 118.644 118.700 0.016 0.000 2.515 417 N HA 0.020 4.760 4.740 -0.000 0.000 0.185 417 N C 1.799 177.325 175.510 0.027 0.000 1.109 417 N CA 0.295 53.358 53.050 0.021 0.000 0.903 417 N CB -0.807 37.717 38.487 0.061 0.000 0.969 417 N HN 0.499 nan 8.380 nan 0.000 0.450 418 V N 1.030 120.965 119.914 0.034 0.000 2.220 418 V HA -0.306 3.814 4.120 -0.000 0.000 0.250 418 V C 1.872 177.980 176.094 0.024 0.000 1.056 418 V CA 1.978 64.301 62.300 0.039 0.000 1.016 418 V CB -0.518 31.331 31.823 0.044 0.000 0.639 418 V HN 0.364 nan 8.190 nan 0.000 0.446 419 D N -0.443 119.962 120.400 0.009 0.000 2.190 419 D HA -0.180 4.460 4.640 -0.000 0.000 0.200 419 D C 2.000 178.303 176.300 0.005 0.000 0.992 419 D CA 1.597 55.599 54.000 0.002 0.000 0.854 419 D CB -0.095 40.698 40.800 -0.012 0.000 0.936 419 D HN 0.379 nan 8.370 nan 0.000 0.462 420 L N 1.053 122.278 121.223 0.003 0.000 2.072 420 L HA -0.132 4.208 4.340 -0.000 0.000 0.205 420 L C 2.134 179.013 176.870 0.015 0.000 1.079 420 L CA 1.501 56.351 54.840 0.017 0.000 0.752 420 L CB -0.441 41.639 42.059 0.034 0.000 0.906 420 L HN -0.142 nan 8.230 nan 0.000 0.436 421 Q N -0.149 119.660 119.800 0.015 0.000 2.084 421 Q HA -0.157 4.183 4.340 -0.000 0.000 0.202 421 Q C 2.383 178.386 176.000 0.004 0.000 0.978 421 Q CA 2.096 57.900 55.803 0.002 0.000 0.844 421 Q CB -0.330 28.423 28.738 0.025 0.000 0.898 421 Q HN 0.602 nan 8.270 nan 0.000 0.426 422 I N 0.308 120.890 120.570 0.021 0.000 2.163 422 I HA -0.303 3.867 4.170 -0.000 0.000 0.243 422 I C 2.710 178.846 176.117 0.032 0.000 1.085 422 I CA 1.170 62.488 61.300 0.029 0.000 1.347 422 I CB -0.254 37.763 38.000 0.028 0.000 1.044 422 I HN 0.143 nan 8.210 nan 0.000 0.408 423 R N 1.089 121.605 120.500 0.026 0.000 2.091 423 R HA -0.182 4.158 4.340 -0.000 0.000 0.238 423 R C 2.292 178.617 176.300 0.041 0.000 1.136 423 R CA 1.643 57.765 56.100 0.036 0.000 0.959 423 R CB -0.246 30.073 30.300 0.030 0.000 0.856 423 R HN 0.320 nan 8.270 nan 0.000 0.437 424 I N 0.227 120.793 120.570 -0.005 0.000 2.226 424 I HA -0.302 3.868 4.170 -0.000 0.000 0.245 424 I C 2.151 178.239 176.117 -0.048 0.000 1.100 424 I CA 0.978 62.229 61.300 -0.081 0.000 1.374 424 I CB -0.199 37.657 38.000 -0.240 0.000 1.057 424 I HN 0.221 nan 8.210 nan 0.000 0.413 425 M N 0.146 119.754 119.600 0.013 0.000 2.213 425 M HA -0.148 4.332 4.480 -0.000 0.000 0.263 425 M C 1.656 178.094 176.300 0.230 0.000 1.062 425 M CA 1.515 56.930 55.300 0.192 0.000 1.105 425 M CB -1.319 31.369 32.600 0.147 0.000 1.385 425 M HN 0.298 nan 8.290 nan 0.000 0.417 426 N N 0.505 119.292 118.700 0.143 0.000 2.463 426 N HA -0.055 4.685 4.740 -0.000 0.000 0.181 426 N C 0.250 175.849 175.510 0.149 0.000 1.078 426 N CA 0.237 53.363 53.050 0.127 0.000 0.902 426 N CB -0.087 38.450 38.487 0.083 0.000 0.970 426 N HN 0.352 nan 8.380 nan 0.000 0.451 427 D N 1.978 122.494 120.400 0.193 0.000 2.412 427 D HA -0.085 4.555 4.640 -0.000 0.000 0.257 427 D C 1.115 177.541 176.300 0.210 0.000 1.217 427 D CA 0.244 54.376 54.000 0.221 0.000 0.897 427 D CB 0.925 41.900 40.800 0.291 0.000 1.132 427 D HN 0.210 nan 8.370 nan 0.000 0.493 428 E N 3.633 123.924 120.200 0.153 0.000 2.147 428 E HA -0.286 4.064 4.350 -0.000 0.000 0.199 428 E C 1.014 177.672 176.600 0.098 0.000 1.005 428 E CA 1.386 57.850 56.400 0.106 0.000 0.810 428 E CB 0.132 29.885 29.700 0.089 0.000 0.736 428 E HN 0.593 nan 8.360 nan 0.000 0.460 429 N N -1.053 117.711 118.700 0.106 0.000 2.270 429 N HA -0.105 4.635 4.740 -0.000 0.000 0.181 429 N C 1.543 177.037 175.510 -0.026 0.000 1.016 429 N CA 0.747 53.801 53.050 0.006 0.000 0.870 429 N CB -0.126 38.286 38.487 -0.125 0.000 0.979 429 N HN 0.138 nan 8.380 nan 0.000 0.431 430 F N 2.101 121.986 119.950 -0.108 0.000 2.149 430 F HA -0.009 4.518 4.527 0.000 0.000 0.294 430 F C 2.121 177.893 175.800 -0.045 0.000 1.095 430 F CA 1.222 59.171 58.000 -0.086 0.000 1.276 430 F CB -0.322 38.666 39.000 -0.020 0.000 1.023 430 F HN -0.015 nan 8.300 nan 0.000 0.480 431 Q N -0.959 118.764 119.800 -0.129 0.000 2.234 431 Q HA -0.267 4.073 4.340 -0.000 0.000 0.206 431 Q C 2.128 178.003 176.000 -0.208 0.000 0.980 431 Q CA 1.665 57.336 55.803 -0.221 0.000 0.869 431 Q CB -0.784 27.927 28.738 -0.044 0.000 0.912 431 Q HN 0.617 nan 8.270 nan 0.000 0.436 432 H N 0.213 119.174 119.070 -0.181 0.000 2.403 432 H HA 0.045 4.601 4.556 -0.000 0.000 0.298 432 H C 0.613 175.835 175.328 -0.176 0.000 1.059 432 H CA 1.282 57.241 56.048 -0.148 0.000 1.363 432 H CB 0.347 30.054 29.762 -0.092 0.000 1.410 432 H HN 0.265 nan 8.280 nan 0.000 0.528 433 G N -1.568 107.039 108.800 -0.322 0.000 2.705 433 G HA2 0.068 4.028 3.960 -0.000 0.000 0.686 433 G HA3 0.068 4.028 3.960 -0.000 0.000 0.686 433 G C 0.634 175.439 174.900 -0.159 0.000 1.285 433 G CA 0.136 45.054 45.100 -0.303 0.000 0.800 433 G HN 1.043 nan 8.290 nan 0.000 0.611 434 G N -1.038 107.723 108.800 -0.064 0.000 2.163 434 G HA2 0.207 4.167 3.960 -0.000 0.000 0.213 434 G HA3 0.207 4.167 3.960 -0.000 0.000 0.213 434 G C 1.049 175.965 174.900 0.027 0.000 0.991 434 G CA 1.159 46.264 45.100 0.008 0.000 0.653 434 G HN 2.824 nan 8.290 nan 0.000 0.518 435 T N -0.187 114.364 114.554 -0.004 0.000 2.855 435 T HA 0.463 4.813 4.350 -0.000 0.000 0.314 435 T C 0.473 175.200 174.700 0.046 0.000 1.077 435 T CA 0.511 62.593 62.100 -0.031 0.000 1.095 435 T CB 1.386 70.163 68.868 -0.153 0.000 0.987 435 T HN 1.148 nan 8.240 nan 0.000 0.546 436 N N 0.286 119.025 118.700 0.065 0.000 2.471 436 N HA 0.321 5.061 4.740 -0.000 0.000 0.288 436 N C 1.105 176.620 175.510 0.009 0.000 1.220 436 N CA -1.151 51.924 53.050 0.041 0.000 0.893 436 N CB 0.438 38.935 38.487 0.017 0.000 1.256 436 N HN 0.803 nan 8.380 nan 0.000 0.534 437 I N -3.443 117.047 120.570 -0.133 0.000 2.953 437 I HA -0.127 4.043 4.170 -0.000 0.000 0.271 437 I C 0.280 176.259 176.117 -0.230 0.000 1.286 437 I CA 1.176 62.360 61.300 -0.193 0.000 1.449 437 I CB -0.461 37.394 38.000 -0.242 0.000 1.086 437 I HN 0.432 nan 8.210 nan 0.000 0.483 438 H N -1.073 118.050 119.070 0.088 0.000 2.750 438 H HA 0.066 4.622 4.556 -0.000 0.000 0.263 438 H C 1.624 176.999 175.328 0.079 0.000 0.964 438 H CA 0.334 56.416 56.048 0.055 0.000 1.205 438 H CB -0.391 29.400 29.762 0.049 0.000 1.454 438 H HN 0.367 nan 8.280 nan 0.000 0.503 439 Y N 2.060 122.420 120.300 0.101 0.000 2.069 439 Y HA -0.305 4.245 4.550 -0.000 0.000 0.278 439 Y C 2.470 178.397 175.900 0.045 0.000 1.175 439 Y CA 1.692 59.837 58.100 0.074 0.000 1.134 439 Y CB -0.453 38.050 38.460 0.071 0.000 0.965 439 Y HN 0.132 nan 8.280 nan 0.000 0.498 440 L N 0.515 121.808 121.223 0.117 0.000 1.994 440 L HA -0.198 4.142 4.340 -0.000 0.000 0.208 440 L C 2.219 179.039 176.870 -0.084 0.000 1.071 440 L CA 2.245 57.083 54.840 -0.004 0.000 0.745 440 L CB -0.935 41.145 42.059 0.035 0.000 0.892 440 L HN 0.306 nan 8.230 nan 0.000 0.431 441 E N -0.656 119.506 120.200 -0.063 0.000 2.085 441 E HA -0.268 4.082 4.350 -0.000 0.000 0.194 441 E C 2.181 178.725 176.600 -0.093 0.000 0.994 441 E CA 1.578 57.925 56.400 -0.088 0.000 0.801 441 E CB -0.050 29.608 29.700 -0.071 0.000 0.743 441 E HN 0.452 nan 8.360 nan 0.000 0.453 442 K N 0.691 121.032 120.400 -0.098 0.000 1.978 442 K HA -0.221 4.099 4.320 -0.000 0.000 0.214 442 K C 2.190 178.680 176.600 -0.183 0.000 1.049 442 K CA 1.584 57.794 56.287 -0.129 0.000 0.939 442 K CB -0.184 32.236 32.500 -0.134 0.000 0.721 442 K HN -0.082 nan 8.250 nan 0.000 0.441 443 K N 0.566 120.767 120.400 -0.331 0.000 2.189 443 K HA -0.208 4.112 4.320 -0.000 0.000 0.207 443 K C 1.733 178.248 176.600 -0.140 0.000 1.046 443 K CA 1.345 57.438 56.287 -0.323 0.000 0.928 443 K CB 0.025 32.242 32.500 -0.473 0.000 0.720 443 K HN -0.010 nan 8.250 nan 0.000 0.458 444 L N -0.380 120.783 121.223 -0.100 0.000 2.307 444 L HA 0.208 4.548 4.340 -0.000 0.000 0.211 444 L C 1.128 177.985 176.870 -0.023 0.000 1.099 444 L CA 1.644 56.468 54.840 -0.026 0.000 0.816 444 L CB -0.171 41.887 42.059 -0.001 0.000 0.952 444 L HN 0.508 nan 8.230 nan 0.000 0.455 445 G N -0.396 108.372 108.800 -0.052 0.000 2.303 445 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.260 445 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.260 445 G C 0.439 175.320 174.900 -0.032 0.000 1.106 445 G CA 0.296 45.373 45.100 -0.038 0.000 0.900 445 G HN 0.172 nan 8.290 nan 0.000 0.495 446 L N -0.437 120.754 121.223 -0.054 0.000 2.556 446 L HA 0.301 4.641 4.340 -0.000 0.000 0.226 446 L C 2.463 179.298 176.870 -0.060 0.000 1.089 446 L CA 1.514 56.315 54.840 -0.065 0.000 0.864 446 L CB -0.288 41.700 42.059 -0.118 0.000 1.067 446 L HN 0.456 nan 8.230 nan 0.000 0.477 447 Q N 0.802 120.568 119.800 -0.057 0.000 2.291 447 Q HA -0.153 4.187 4.340 -0.000 0.000 0.206 447 Q C 0.936 176.912 176.000 -0.040 0.000 0.976 447 Q CA 0.706 56.477 55.803 -0.052 0.000 0.875 447 Q CB 0.104 28.806 28.738 -0.060 0.000 0.927 447 Q HN 0.646 nan 8.270 nan 0.000 0.450 448 E N 0.000 120.180 120.200 -0.033 0.000 2.725 448 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 448 E CA 0.000 56.386 56.400 -0.023 0.000 0.976 448 E CB 0.000 29.690 29.700 -0.017 0.000 0.812 448 E HN 0.000 nan 8.360 nan 0.000 0.440