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 2c2b_1_C DATA FIRST_RESID 37 DATA SEQUENCE NPFSAKYVPF NAAPGSTESY SLDEIVYRSR SGGLLDVEHD MEALKRFDGA DATA SEQUENCE YWRDLFDSRV GKSTWPYGSG VWSKKEWVLP EIDDDDIVSA FEGNSNLFWA DATA SEQUENCE ERFGKQFLGM NDLWVKHCGI SHTGSFXDLG MTVLVSQVNR LRKMKRPVVG DATA SEQUENCE VGCASTGDTS AALSAYCASA GIPSIVFLPA NKISMAQLVQ PIANGAFVLS DATA SEQUENCE IDTDFDGCMK LIREITAELP IYLANSLNSL RLEGQKTAAI EILQQFDWQV DATA SEQUENCE PDWVIVPGGN LGNIYAFYKG FKMCQELGLV DRIPRMVCAQ AANANPLYLH DATA SEQUENCE YKSGWKDFKP MTASTTFASA IQIGDPVSID RAVYALKKCN GIVEEATEEE DATA SEQUENCE LMDAMAQADS TGMFICPHTG VALTALFKLR NQGVIAPTDR TVVVSTAHGL DATA SEQUENCE KFTQSKIDYH SNAIPDMACR FSNPPVDVKA DFGAVMDVLK SYLG 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 37 N HA 0.000 nan 4.740 nan 0.000 0.220 37 N C 0.000 175.444 175.510 -0.110 0.000 1.280 37 N CA 0.000 53.037 53.050 -0.021 0.000 0.885 37 N CB 0.000 38.530 38.487 0.072 0.000 1.341 38 P HA 0.314 nan 4.420 nan 0.000 0.251 38 P C -0.592 176.524 177.300 -0.307 0.000 1.223 38 P CA 0.275 63.152 63.100 -0.373 0.000 0.796 38 P CB 0.042 31.453 31.700 -0.482 0.000 1.068 39 F N 1.403 121.452 119.950 0.166 0.000 2.399 39 F HA 0.511 5.038 4.527 0.000 0.000 0.334 39 F C 1.145 177.036 175.800 0.152 0.000 1.097 39 F CA -0.626 57.485 58.000 0.184 0.000 1.076 39 F CB 1.167 40.312 39.000 0.241 0.000 1.162 39 F HN -0.142 nan 8.300 nan 0.000 0.495 40 S N 0.972 116.864 115.700 0.320 0.000 2.607 40 S HA 0.975 5.446 4.470 0.001 0.000 0.273 40 S C -1.241 173.448 174.600 0.149 0.000 1.148 40 S CA -0.738 57.579 58.200 0.195 0.000 0.833 40 S CB 1.878 65.146 63.200 0.113 0.000 1.130 40 S HN 1.145 nan 8.310 nan 0.000 0.470 41 A N 0.964 123.802 122.820 0.030 0.000 2.572 41 A HA 0.926 5.247 4.320 0.001 0.000 0.295 41 A C -1.183 176.304 177.584 -0.161 0.000 1.072 41 A CA -0.932 51.010 52.037 -0.159 0.000 0.691 41 A CB 1.628 20.396 19.000 -0.386 0.000 1.291 41 A HN 1.233 nan 8.150 nan 0.000 0.404 42 K N 0.334 120.615 120.400 -0.199 0.000 2.556 42 K HA 0.612 4.933 4.320 0.001 0.000 0.274 42 K C -1.760 174.766 176.600 -0.123 0.000 0.966 42 K CA -0.787 55.416 56.287 -0.139 0.000 0.865 42 K CB 0.989 33.466 32.500 -0.038 0.000 1.444 42 K HN 0.440 nan 8.250 nan 0.000 0.433 43 Y N 0.378 120.713 120.300 0.059 0.000 2.411 43 Y HA 0.400 4.951 4.550 0.001 0.000 0.333 43 Y C 0.167 176.135 175.900 0.114 0.000 1.186 43 Y CA -0.080 58.085 58.100 0.109 0.000 1.381 43 Y CB 1.432 40.004 38.460 0.186 0.000 1.273 43 Y HN 0.313 nan 8.280 nan 0.000 0.546 44 V N 4.672 124.765 119.914 0.297 0.000 3.048 44 V HA 0.360 4.480 4.120 0.001 0.000 0.303 44 V C -2.483 173.712 176.094 0.169 0.000 1.214 44 V CA -2.447 59.951 62.300 0.163 0.000 0.984 44 V CB 2.746 34.613 31.823 0.072 0.000 1.054 44 V HN 0.508 nan 8.190 nan 0.000 0.430 45 P HA 0.104 nan 4.420 nan 0.000 0.268 45 P C -0.609 176.742 177.300 0.085 0.000 1.204 45 P CA 0.024 63.190 63.100 0.111 0.000 0.768 45 P CB 0.133 31.870 31.700 0.062 0.000 0.842 46 F N 3.819 123.760 119.950 -0.015 0.000 2.608 46 F HA 0.032 4.559 4.527 0.000 0.000 0.380 46 F C 1.031 176.760 175.800 -0.120 0.000 1.083 46 F CA 0.144 58.098 58.000 -0.076 0.000 1.266 46 F CB -0.478 38.446 39.000 -0.127 0.000 1.076 46 F HN 0.406 nan 8.300 nan 0.000 0.574 47 N N 3.609 121.662 118.700 -1.078 0.000 2.696 47 N HA -0.232 4.508 4.740 0.001 0.000 0.256 47 N C -0.838 174.384 175.510 -0.480 0.000 1.031 47 N CA 0.578 53.005 53.050 -1.039 0.000 0.730 47 N CB -1.092 36.378 38.487 -1.695 0.000 0.894 47 N HN 0.998 nan 8.380 nan 0.000 0.544 48 A N 0.571 123.226 122.820 -0.275 0.000 2.483 48 A HA 0.603 4.923 4.320 0.001 0.000 0.238 48 A C 1.138 178.653 177.584 -0.115 0.000 1.070 48 A CA 0.237 52.188 52.037 -0.144 0.000 0.770 48 A CB 0.145 19.095 19.000 -0.084 0.000 1.008 48 A HN 0.955 nan 8.150 nan 0.000 0.497 49 A N 3.145 125.919 122.820 -0.077 0.000 2.429 49 A HA 0.505 4.826 4.320 0.001 0.000 0.242 49 A C -1.840 175.719 177.584 -0.042 0.000 1.088 49 A CA -0.873 51.132 52.037 -0.053 0.000 0.784 49 A CB -0.666 18.313 19.000 -0.034 0.000 1.038 49 A HN 0.742 nan 8.150 nan 0.000 0.501 50 P HA 0.185 nan 4.420 nan 0.000 0.261 50 P C 0.628 177.916 177.300 -0.021 0.000 1.203 50 P CA 1.445 64.531 63.100 -0.022 0.000 0.767 50 P CB 0.116 31.807 31.700 -0.015 0.000 0.785 51 G N 2.137 110.924 108.800 -0.022 0.000 2.176 51 G HA2 -0.248 3.712 3.960 0.001 0.000 0.252 51 G HA3 -0.248 3.712 3.960 0.001 0.000 0.252 51 G C 0.312 175.197 174.900 -0.025 0.000 1.024 51 G CA 0.182 45.269 45.100 -0.021 0.000 0.755 51 G HN 0.801 nan 8.290 nan 0.000 0.507 52 S N -0.441 115.241 115.700 -0.030 0.000 2.562 52 S HA 0.498 4.968 4.470 0.001 0.000 0.281 52 S C 1.733 176.308 174.600 -0.042 0.000 1.333 52 S CA 1.084 59.264 58.200 -0.034 0.000 1.052 52 S CB 0.703 63.881 63.200 -0.037 0.000 0.884 52 S HN 1.115 nan 8.310 nan 0.000 0.506 53 T N 1.050 115.575 114.554 -0.049 0.000 3.069 53 T HA 0.262 4.613 4.350 0.001 0.000 0.252 53 T C 0.449 175.088 174.700 -0.102 0.000 1.053 53 T CA -0.296 61.767 62.100 -0.062 0.000 0.964 53 T CB -0.186 68.651 68.868 -0.052 0.000 1.005 53 T HN 0.721 nan 8.240 nan 0.000 0.532 54 E N 2.574 122.707 120.200 -0.111 0.000 2.265 54 E HA 0.313 4.663 4.350 0.001 0.000 0.272 54 E C -0.392 176.057 176.600 -0.251 0.000 1.067 54 E CA -0.242 56.039 56.400 -0.198 0.000 0.900 54 E CB 0.263 29.892 29.700 -0.118 0.000 1.017 54 E HN 0.570 nan 8.360 nan 0.000 0.431 55 S N 3.560 118.995 115.700 -0.442 0.000 2.596 55 S HA 0.546 5.017 4.470 0.001 0.000 0.270 55 S C -1.434 172.800 174.600 -0.609 0.000 1.155 55 S CA -0.883 57.105 58.200 -0.354 0.000 0.827 55 S CB 0.839 63.957 63.200 -0.136 0.000 1.130 55 S HN 0.422 nan 8.310 nan 0.000 0.467 56 Y N -0.003 120.357 120.300 0.101 0.000 2.524 56 Y HA 0.677 5.227 4.550 0.000 0.000 0.347 56 Y C 0.569 176.550 175.900 0.135 0.000 1.005 56 Y CA -0.896 57.275 58.100 0.118 0.000 1.025 56 Y CB 2.076 40.617 38.460 0.135 0.000 1.275 56 Y HN 0.847 nan 8.280 nan 0.000 0.460 57 S N 1.570 117.420 115.700 0.251 0.000 2.568 57 S HA 0.105 4.575 4.470 0.001 0.000 0.282 57 S C 1.092 175.802 174.600 0.183 0.000 1.338 57 S CA -0.342 57.949 58.200 0.151 0.000 1.045 57 S CB 0.298 63.566 63.200 0.114 0.000 0.873 57 S HN 0.759 nan 8.310 nan 0.000 0.516 58 L N 2.690 123.921 121.223 0.014 0.000 2.353 58 L HA -0.069 4.271 4.340 0.001 0.000 0.220 58 L C 1.441 178.379 176.870 0.113 0.000 1.133 58 L CA 0.854 55.642 54.840 -0.085 0.000 0.798 58 L CB -0.413 41.534 42.059 -0.187 0.000 0.922 58 L HN 0.625 nan 8.230 nan 0.000 0.445 59 D N -0.267 120.197 120.400 0.106 0.000 2.363 59 D HA -0.062 4.578 4.640 0.001 0.000 0.220 59 D C 0.770 177.143 176.300 0.122 0.000 0.994 59 D CA 0.519 54.580 54.000 0.102 0.000 0.890 59 D CB 0.024 40.867 40.800 0.071 0.000 0.906 59 D HN 0.216 nan 8.370 nan 0.000 0.530 60 E N 0.413 120.713 120.200 0.166 0.000 2.316 60 E HA 0.166 4.517 4.350 0.001 0.000 0.275 60 E C -0.140 176.473 176.600 0.021 0.000 1.029 60 E CA -0.212 56.244 56.400 0.093 0.000 0.871 60 E CB 0.594 30.360 29.700 0.112 0.000 1.022 60 E HN 0.047 nan 8.360 nan 0.000 0.418 61 I N 5.946 126.472 120.570 -0.074 0.000 2.243 61 I HA 0.143 4.314 4.170 0.001 0.000 0.297 61 I C -0.768 175.016 176.117 -0.555 0.000 1.161 61 I CA -0.446 60.725 61.300 -0.215 0.000 1.298 61 I CB -0.357 37.592 38.000 -0.084 0.000 1.475 61 I HN 0.168 nan 8.210 nan 0.000 0.561 62 V N 4.103 123.543 119.914 -0.791 0.000 3.040 62 V HA 0.397 4.517 4.120 0.001 0.000 0.312 62 V C -0.450 174.971 176.094 -1.122 0.000 1.115 62 V CA -0.576 61.179 62.300 -0.908 0.000 0.998 62 V CB 1.827 33.163 31.823 -0.813 0.000 1.042 62 V HN 0.470 nan 8.190 nan 0.000 0.433 63 Y N 0.155 120.242 120.300 -0.355 0.000 2.435 63 Y HA 0.479 5.030 4.550 0.001 0.000 0.270 63 Y C 1.044 176.813 175.900 -0.218 0.000 1.093 63 Y CA -0.493 57.437 58.100 -0.282 0.000 1.226 63 Y CB 0.942 39.261 38.460 -0.235 0.000 1.289 63 Y HN 0.431 nan 8.280 nan 0.000 0.529 64 R N 0.032 120.474 120.500 -0.097 0.000 2.888 64 R HA 0.543 4.883 4.340 0.001 0.000 0.264 64 R C -0.317 175.923 176.300 -0.101 0.000 1.045 64 R CA -0.551 55.509 56.100 -0.067 0.000 0.962 64 R CB 1.940 32.227 30.300 -0.022 0.000 1.210 64 R HN 0.078 nan 8.270 nan 0.000 0.479 65 S N -0.258 115.436 115.700 -0.010 0.000 2.694 65 S HA 0.263 4.733 4.470 0.001 0.000 0.278 65 S C 1.028 175.664 174.600 0.061 0.000 1.152 65 S CA -0.728 57.511 58.200 0.065 0.000 1.010 65 S CB 1.199 64.468 63.200 0.116 0.000 1.104 65 S HN 0.597 nan 8.310 nan 0.000 0.547 66 R N 0.577 121.151 120.500 0.123 0.000 2.117 66 R HA -0.100 4.240 4.340 0.001 0.000 0.243 66 R C 2.413 178.745 176.300 0.052 0.000 1.143 66 R CA 1.822 57.976 56.100 0.090 0.000 0.968 66 R CB -0.766 29.594 30.300 0.099 0.000 0.863 66 R HN 0.873 nan 8.270 nan 0.000 0.444 67 S N -1.487 114.244 115.700 0.052 0.000 2.562 67 S HA 0.114 4.584 4.470 0.001 0.000 0.221 67 S C 1.382 176.003 174.600 0.035 0.000 0.975 67 S CA 0.498 58.722 58.200 0.040 0.000 0.918 67 S CB 0.838 64.063 63.200 0.042 0.000 0.772 67 S HN 0.532 nan 8.310 nan 0.000 0.531 68 G N 0.379 109.198 108.800 0.031 0.000 2.176 68 G HA2 -0.108 3.853 3.960 0.001 0.000 0.232 68 G HA3 -0.108 3.853 3.960 0.001 0.000 0.232 68 G C 0.470 175.387 174.900 0.027 0.000 0.986 68 G CA -0.163 44.950 45.100 0.021 0.000 0.643 68 G HN 1.016 nan 8.290 nan 0.000 0.522 69 G N -0.547 108.280 108.800 0.044 0.000 2.653 69 G HA2 0.589 4.549 3.960 0.001 0.000 0.265 69 G HA3 0.589 4.549 3.960 0.001 0.000 0.265 69 G C 0.439 175.368 174.900 0.048 0.000 1.237 69 G CA -0.504 44.631 45.100 0.059 0.000 0.946 69 G HN 0.671 nan 8.290 nan 0.000 0.522 70 L N -0.476 120.778 121.223 0.052 0.000 2.439 70 L HA 0.281 4.621 4.340 0.001 0.000 0.261 70 L C -0.041 176.885 176.870 0.093 0.000 1.153 70 L CA -0.959 53.899 54.840 0.030 0.000 0.808 70 L CB 0.812 42.836 42.059 -0.058 0.000 1.126 70 L HN 0.137 nan 8.230 nan 0.000 0.460 71 L N 1.091 122.358 121.223 0.074 0.000 2.360 71 L HA 0.464 4.804 4.340 0.001 0.000 0.271 71 L C -0.269 176.728 176.870 0.211 0.000 1.057 71 L CA -0.056 54.867 54.840 0.139 0.000 0.803 71 L CB 1.145 43.235 42.059 0.053 0.000 1.207 71 L HN 0.504 nan 8.230 nan 0.000 0.445 72 D N -0.137 120.422 120.400 0.265 0.000 2.419 72 D HA 0.412 5.052 4.640 0.001 0.000 0.234 72 D C -0.887 175.556 176.300 0.238 0.000 1.014 72 D CA -0.288 53.875 54.000 0.271 0.000 0.919 72 D CB 2.643 43.616 40.800 0.289 0.000 1.366 72 D HN 0.042 nan 8.370 nan 0.000 0.490 73 V N 1.598 121.599 119.914 0.145 0.000 2.353 73 V HA 0.149 4.269 4.120 0.001 0.000 0.264 73 V C 0.378 176.411 176.094 -0.102 0.000 1.049 73 V CA -0.337 61.929 62.300 -0.055 0.000 0.896 73 V CB 0.740 32.472 31.823 -0.152 0.000 1.025 73 V HN 0.393 nan 8.190 nan 0.000 0.475 74 E N 5.301 125.429 120.200 -0.119 0.000 2.174 74 E HA 0.282 4.632 4.350 0.001 0.000 0.282 74 E C -0.616 175.861 176.600 -0.204 0.000 0.992 74 E CA -0.668 55.676 56.400 -0.093 0.000 0.803 74 E CB 0.652 30.338 29.700 -0.024 0.000 1.090 74 E HN 0.720 nan 8.360 nan 0.000 0.396 75 H N 2.918 121.959 119.070 -0.048 0.000 2.481 75 H HA 0.045 4.601 4.556 0.001 0.000 0.339 75 H C -0.607 174.703 175.328 -0.030 0.000 1.131 75 H CA -0.514 55.506 56.048 -0.048 0.000 1.301 75 H CB 1.382 31.076 29.762 -0.114 0.000 1.476 75 H HN 0.599 nan 8.280 nan 0.000 0.529 76 D N 3.162 123.645 120.400 0.138 0.000 2.385 76 D HA -0.055 4.585 4.640 0.001 0.000 0.260 76 D C 1.061 177.427 176.300 0.110 0.000 1.326 76 D CA -0.046 54.021 54.000 0.112 0.000 1.023 76 D CB 0.312 41.194 40.800 0.137 0.000 1.083 76 D HN 0.325 nan 8.370 nan 0.000 0.517 77 M N 1.971 121.600 119.600 0.047 0.000 2.296 77 M HA -0.094 4.387 4.480 0.001 0.000 0.265 77 M C 1.752 178.087 176.300 0.058 0.000 1.064 77 M CA 0.889 56.192 55.300 0.005 0.000 1.109 77 M CB -0.502 32.076 32.600 -0.037 0.000 1.396 77 M HN 0.527 nan 8.290 nan 0.000 0.430 78 E N 0.237 120.479 120.200 0.071 0.000 2.077 78 E HA -0.138 4.213 4.350 0.001 0.000 0.193 78 E C 1.966 178.647 176.600 0.135 0.000 0.989 78 E CA 1.321 57.767 56.400 0.078 0.000 0.800 78 E CB 0.172 29.903 29.700 0.052 0.000 0.746 78 E HN 0.453 nan 8.360 nan 0.000 0.452 79 A N 0.574 123.509 122.820 0.192 0.000 1.929 79 A HA -0.087 4.233 4.320 0.001 0.000 0.216 79 A C 2.115 180.045 177.584 0.576 0.000 1.176 79 A CA 0.755 52.968 52.037 0.293 0.000 0.628 79 A CB -0.457 18.705 19.000 0.271 0.000 0.816 79 A HN 0.239 nan 8.150 nan 0.000 0.444 80 L N -0.771 120.776 121.223 0.540 0.000 2.093 80 L HA -0.136 4.204 4.340 0.001 0.000 0.208 80 L C 2.335 179.583 176.870 0.631 0.000 1.085 80 L CA 1.377 56.587 54.840 0.617 0.000 0.755 80 L CB -0.338 41.759 42.059 0.065 0.000 0.904 80 L HN 0.286 nan 8.230 nan 0.000 0.435 81 K N -0.096 120.508 120.400 0.341 0.000 2.442 81 K HA -0.080 4.241 4.320 0.001 0.000 0.198 81 K C 1.929 178.648 176.600 0.199 0.000 1.042 81 K CA 0.589 57.023 56.287 0.244 0.000 0.958 81 K CB -0.008 32.560 32.500 0.113 0.000 0.766 81 K HN 0.243 nan 8.250 nan 0.000 0.474 82 R N -0.122 120.493 120.500 0.191 0.000 2.339 82 R HA 0.006 4.346 4.340 0.001 0.000 0.199 82 R C -0.356 175.672 176.300 -0.454 0.000 1.018 82 R CA 0.537 56.563 56.100 -0.123 0.000 1.036 82 R CB 0.095 30.272 30.300 -0.205 0.000 0.899 82 R HN 0.014 nan 8.270 nan 0.000 0.473 83 F N 1.127 121.128 119.950 0.085 0.000 2.507 83 F HA 0.134 4.661 4.527 0.000 0.000 0.328 83 F C 0.207 176.053 175.800 0.077 0.000 1.136 83 F CA -1.828 56.082 58.000 -0.150 0.000 0.930 83 F CB 1.131 39.778 39.000 -0.589 0.000 1.166 83 F HN -0.042 nan 8.300 nan 0.000 0.436 84 D N 1.431 121.911 120.400 0.134 0.000 2.384 84 D HA 0.132 4.772 4.640 0.001 0.000 0.244 84 D C 1.430 177.892 176.300 0.270 0.000 1.251 84 D CA -0.289 53.820 54.000 0.180 0.000 0.961 84 D CB 0.593 41.434 40.800 0.068 0.000 1.116 84 D HN 0.596 nan 8.370 nan 0.000 0.484 85 G N -0.460 108.465 108.800 0.209 0.000 2.442 85 G HA2 -0.206 3.754 3.960 0.001 0.000 0.219 85 G HA3 -0.206 3.754 3.960 0.001 0.000 0.219 85 G C 1.513 176.412 174.900 -0.001 0.000 1.141 85 G CA 1.567 46.752 45.100 0.142 0.000 0.763 85 G HN 0.684 nan 8.290 nan 0.000 0.554 86 A N 0.033 122.848 122.820 -0.010 0.000 1.908 86 A HA -0.088 4.232 4.320 0.001 0.000 0.218 86 A C 2.202 179.736 177.584 -0.083 0.000 1.181 86 A CA 1.799 53.801 52.037 -0.058 0.000 0.627 86 A CB -0.696 18.292 19.000 -0.020 0.000 0.818 86 A HN 0.506 nan 8.150 nan 0.000 0.445 87 Y N -1.172 119.021 120.300 -0.179 0.000 2.114 87 Y HA -0.239 4.312 4.550 0.000 0.000 0.284 87 Y C 2.174 177.812 175.900 -0.438 0.000 1.143 87 Y CA 1.914 59.835 58.100 -0.298 0.000 1.135 87 Y CB -0.525 37.740 38.460 -0.325 0.000 0.980 87 Y HN 0.449 nan 8.280 nan 0.000 0.499 88 W N 0.558 121.689 121.300 -0.281 0.000 2.358 88 W HA -0.148 4.512 4.660 0.001 0.000 0.303 88 W C 2.599 178.576 176.519 -0.904 0.000 1.208 88 W CA 1.359 58.258 57.345 -0.743 0.000 1.274 88 W CB -0.326 28.850 29.460 -0.473 0.000 1.138 88 W HN -0.115 nan 8.180 nan 0.000 0.515 89 R N 0.197 120.435 120.500 -0.437 0.000 2.080 89 R HA -0.165 4.176 4.340 0.001 0.000 0.236 89 R C 1.659 177.850 176.300 -0.182 0.000 1.137 89 R CA 1.833 57.619 56.100 -0.523 0.000 0.943 89 R CB -0.797 29.055 30.300 -0.746 0.000 0.846 89 R HN 0.155 nan 8.270 nan 0.000 0.431 90 D N 0.774 121.025 120.400 -0.249 0.000 2.144 90 D HA -0.151 4.489 4.640 0.001 0.000 0.199 90 D C 1.888 178.020 176.300 -0.280 0.000 0.984 90 D CA 0.833 54.710 54.000 -0.205 0.000 0.834 90 D CB -0.168 40.495 40.800 -0.228 0.000 0.955 90 D HN 0.054 nan 8.370 nan 0.000 0.465 91 L N -0.078 120.828 121.223 -0.529 0.000 2.005 91 L HA -0.087 4.253 4.340 0.001 0.000 0.207 91 L C 2.227 178.957 176.870 -0.234 0.000 1.072 91 L CA 1.510 56.012 54.840 -0.564 0.000 0.744 91 L CB -0.732 40.765 42.059 -0.937 0.000 0.895 91 L HN -0.021 nan 8.230 nan 0.000 0.433 92 F N -0.552 119.311 119.950 -0.145 0.000 2.186 92 F HA -0.208 4.320 4.527 0.000 0.000 0.299 92 F C 2.187 177.991 175.800 0.006 0.000 1.090 92 F CA 0.485 58.445 58.000 -0.067 0.000 1.307 92 F CB -0.332 38.669 39.000 0.002 0.000 1.019 92 F HN 0.185 nan 8.300 nan 0.000 0.489 93 D N 0.114 120.660 120.400 0.244 0.000 2.117 93 D HA -0.147 4.494 4.640 0.001 0.000 0.198 93 D C 2.336 178.674 176.300 0.063 0.000 0.982 93 D CA 1.696 55.791 54.000 0.160 0.000 0.828 93 D CB -0.521 40.394 40.800 0.191 0.000 0.967 93 D HN 0.201 nan 8.370 nan 0.000 0.464 94 S N 0.078 115.785 115.700 0.012 0.000 2.500 94 S HA -0.082 4.389 4.470 0.001 0.000 0.239 94 S C 1.571 176.175 174.600 0.006 0.000 0.989 94 S CA 0.541 58.731 58.200 -0.017 0.000 0.951 94 S CB -0.116 63.037 63.200 -0.078 0.000 0.759 94 S HN 0.250 nan 8.310 nan 0.000 0.523 95 R N 0.224 120.741 120.500 0.029 0.000 2.404 95 R HA 0.312 4.653 4.340 0.001 0.000 0.237 95 R C -0.408 175.949 176.300 0.095 0.000 0.907 95 R CA -0.088 56.052 56.100 0.067 0.000 1.063 95 R CB 0.260 30.590 30.300 0.049 0.000 1.134 95 R HN 0.257 nan 8.270 nan 0.000 0.529 96 V N 2.384 122.335 119.914 0.061 0.000 2.452 96 V HA 0.041 4.161 4.120 0.001 0.000 0.286 96 V C 1.193 177.328 176.094 0.068 0.000 0.995 96 V CA 1.270 63.592 62.300 0.036 0.000 1.116 96 V CB 0.141 31.959 31.823 -0.008 0.000 0.954 96 V HN 0.750 nan 8.190 nan 0.000 0.473 97 G N 4.275 113.139 108.800 0.106 0.000 2.323 97 G HA2 -0.220 3.740 3.960 0.001 0.000 0.292 97 G HA3 -0.220 3.740 3.960 0.001 0.000 0.292 97 G C 0.139 175.170 174.900 0.219 0.000 1.040 97 G CA 0.043 45.260 45.100 0.195 0.000 0.942 97 G HN 0.545 nan 8.290 nan 0.000 0.506 98 K N -0.154 120.374 120.400 0.212 0.000 2.139 98 K HA 0.566 4.886 4.320 0.001 0.000 0.243 98 K C 1.653 178.348 176.600 0.159 0.000 0.983 98 K CA -0.031 56.352 56.287 0.161 0.000 0.890 98 K CB 1.399 33.981 32.500 0.137 0.000 1.090 98 K HN 0.345 nan 8.250 nan 0.000 0.445 99 S N -0.827 114.934 115.700 0.100 0.000 2.522 99 S HA -0.030 4.441 4.470 0.001 0.000 0.227 99 S C 0.551 175.210 174.600 0.097 0.000 0.986 99 S CA 0.168 58.400 58.200 0.054 0.000 0.929 99 S CB -0.230 62.986 63.200 0.028 0.000 0.769 99 S HN 0.495 nan 8.310 nan 0.000 0.529 100 T N 3.907 118.548 114.554 0.145 0.000 2.799 100 T HA 0.078 4.428 4.350 0.001 0.000 0.296 100 T C -0.239 174.578 174.700 0.194 0.000 0.947 100 T CA -0.483 61.726 62.100 0.182 0.000 1.141 100 T CB 0.027 69.027 68.868 0.219 0.000 0.891 100 T HN 0.501 nan 8.240 nan 0.000 0.533 101 W N 6.722 127.996 121.300 -0.044 0.000 2.238 101 W HA 0.219 4.879 4.660 0.000 0.000 0.321 101 W C -2.084 174.230 176.519 -0.341 0.000 1.293 101 W CA -2.347 54.913 57.345 -0.143 0.000 1.204 101 W CB 1.119 30.498 29.460 -0.134 0.000 1.167 101 W HN 0.499 nan 8.180 nan 0.000 0.553 102 P HA 0.058 nan 4.420 nan 0.000 0.263 102 P C 0.123 177.082 177.300 -0.567 0.000 1.448 102 P CA 0.258 62.531 63.100 -1.378 0.000 0.983 102 P CB -0.094 30.493 31.700 -1.855 0.000 1.481 103 Y N -0.056 120.190 120.300 -0.089 0.000 2.578 103 Y HA 0.164 4.714 4.550 0.000 0.000 0.297 103 Y C 2.520 178.479 175.900 0.098 0.000 1.176 103 Y CA 0.699 58.815 58.100 0.025 0.000 1.315 103 Y CB -1.246 37.238 38.460 0.041 0.000 1.031 103 Y HN 0.027 nan 8.280 nan 0.000 0.524 104 G N -0.487 108.473 108.800 0.266 0.000 2.422 104 G HA2 -0.219 3.741 3.960 0.001 0.000 0.218 104 G HA3 -0.219 3.741 3.960 0.001 0.000 0.218 104 G C 1.053 176.216 174.900 0.438 0.000 1.146 104 G CA 0.638 46.000 45.100 0.437 0.000 0.769 104 G HN 0.359 nan 8.290 nan 0.000 0.547 105 S N 0.290 116.200 115.700 0.350 0.000 2.558 105 S HA 0.341 4.811 4.470 0.001 0.000 0.288 105 S C 1.849 176.459 174.600 0.017 0.000 1.318 105 S CA 0.423 58.744 58.200 0.202 0.000 1.056 105 S CB 1.188 64.570 63.200 0.302 0.000 0.853 105 S HN 0.340 nan 8.310 nan 0.000 0.505 106 G N 3.118 111.854 108.800 -0.107 0.000 2.448 106 G HA2 -0.108 3.853 3.960 0.001 0.000 0.219 106 G HA3 -0.108 3.853 3.960 0.001 0.000 0.219 106 G C 1.174 175.938 174.900 -0.227 0.000 1.127 106 G CA 0.955 45.954 45.100 -0.170 0.000 0.766 106 G HN 0.632 nan 8.290 nan 0.000 0.552 107 V N -0.839 118.919 119.914 -0.260 0.000 2.300 107 V HA -0.004 4.117 4.120 0.001 0.000 0.241 107 V C 2.241 178.063 176.094 -0.454 0.000 1.034 107 V CA 1.199 63.222 62.300 -0.461 0.000 1.021 107 V CB -0.604 30.811 31.823 -0.680 0.000 0.662 107 V HN 0.573 nan 8.190 nan 0.000 0.458 108 W N 0.878 122.102 121.300 -0.128 0.000 2.825 108 W HA -0.045 4.615 4.660 0.001 0.000 0.243 108 W C 2.589 179.103 176.519 -0.007 0.000 1.293 108 W CA 0.763 58.037 57.345 -0.119 0.000 1.403 108 W CB -0.466 28.855 29.460 -0.231 0.000 1.134 108 W HN 0.339 nan 8.180 nan 0.000 0.666 109 S N 0.253 116.031 115.700 0.130 0.000 2.474 109 S HA -0.111 4.359 4.470 0.001 0.000 0.235 109 S C 1.163 175.702 174.600 -0.101 0.000 0.997 109 S CA 0.771 59.041 58.200 0.117 0.000 0.949 109 S CB -0.219 62.989 63.200 0.015 0.000 0.766 109 S HN 0.155 nan 8.310 nan 0.000 0.517 110 K N 1.098 121.303 120.400 -0.325 0.000 2.681 110 K HA 0.361 4.681 4.320 0.001 0.000 0.211 110 K C 1.193 177.673 176.600 -0.201 0.000 1.075 110 K CA -0.195 55.694 56.287 -0.664 0.000 1.141 110 K CB 0.417 32.325 32.500 -0.986 0.000 0.896 110 K HN 0.298 nan 8.250 nan 0.000 0.470 111 K N 1.409 121.874 120.400 0.109 0.000 2.059 111 K HA -0.283 4.037 4.320 0.001 0.000 0.212 111 K C 0.823 177.561 176.600 0.230 0.000 1.050 111 K CA 1.900 58.358 56.287 0.286 0.000 0.927 111 K CB 0.207 32.977 32.500 0.449 0.000 0.714 111 K HN 0.113 nan 8.250 nan 0.000 0.447 112 E N -0.699 119.625 120.200 0.206 0.000 2.209 112 E HA -0.188 4.163 4.350 0.001 0.000 0.196 112 E C 1.191 177.885 176.600 0.156 0.000 0.993 112 E CA 1.317 57.815 56.400 0.164 0.000 0.819 112 E CB -0.139 29.580 29.700 0.033 0.000 0.745 112 E HN 0.482 nan 8.360 nan 0.000 0.477 113 W N -0.890 120.228 121.300 -0.304 0.000 3.278 113 W HA 0.254 4.915 4.660 0.001 0.000 0.308 113 W C 1.044 177.213 176.519 -0.583 0.000 1.253 113 W CA -0.202 56.785 57.345 -0.597 0.000 1.759 113 W CB -0.037 29.107 29.460 -0.527 0.000 1.093 113 W HN -0.098 nan 8.180 nan 0.000 0.648 114 V N -0.933 118.987 119.914 0.011 0.000 3.430 114 V HA 0.239 4.359 4.120 0.001 0.000 0.211 114 V C 0.504 176.751 176.094 0.254 0.000 1.173 114 V CA 0.267 62.610 62.300 0.071 0.000 1.310 114 V CB -0.055 31.654 31.823 -0.190 0.000 1.361 114 V HN -0.323 nan 8.190 nan 0.000 0.512 115 L N 2.761 124.148 121.223 0.273 0.000 2.495 115 L HA 0.340 4.681 4.340 0.001 0.000 0.248 115 L C -1.778 175.272 176.870 0.301 0.000 1.229 115 L CA -1.133 53.887 54.840 0.301 0.000 0.942 115 L CB 1.829 44.110 42.059 0.370 0.000 1.242 115 L HN 0.250 nan 8.230 nan 0.000 0.484 116 P HA -0.154 nan 4.420 nan 0.000 0.220 116 P C 0.744 178.191 177.300 0.245 0.000 1.148 116 P CA 1.276 64.557 63.100 0.301 0.000 0.803 116 P CB 0.514 32.433 31.700 0.366 0.000 0.782 117 E N -1.025 119.287 120.200 0.188 0.000 2.474 117 E HA 0.141 4.491 4.350 0.001 0.000 0.195 117 E C 0.899 177.557 176.600 0.097 0.000 1.039 117 E CA -0.499 55.982 56.400 0.135 0.000 0.881 117 E CB 0.115 29.878 29.700 0.105 0.000 0.970 117 E HN 0.271 nan 8.360 nan 0.000 0.486 118 I N 1.567 122.196 120.570 0.098 0.000 2.575 118 I HA -0.025 4.145 4.170 0.001 0.000 0.285 118 I C 0.278 176.399 176.117 0.007 0.000 1.085 118 I CA -0.062 61.264 61.300 0.042 0.000 1.403 118 I CB 0.660 38.675 38.000 0.024 0.000 1.409 118 I HN -0.100 nan 8.210 nan 0.000 0.557 119 D N 5.081 125.476 120.400 -0.008 0.000 2.302 119 D HA -0.004 4.636 4.640 0.001 0.000 0.248 119 D C 0.364 176.632 176.300 -0.053 0.000 1.094 119 D CA -0.267 53.727 54.000 -0.010 0.000 0.897 119 D CB 1.334 42.138 40.800 0.008 0.000 1.200 119 D HN 0.508 nan 8.370 nan 0.000 0.429 120 D N 1.784 122.160 120.400 -0.040 0.000 2.221 120 D HA -0.150 4.491 4.640 0.001 0.000 0.204 120 D C 0.959 177.349 176.300 0.151 0.000 0.982 120 D CA 0.922 54.909 54.000 -0.022 0.000 0.857 120 D CB 0.144 40.962 40.800 0.028 0.000 0.934 120 D HN 0.431 nan 8.370 nan 0.000 0.475 121 D N 0.291 120.735 120.400 0.074 0.000 2.264 121 D HA -0.087 4.554 4.640 0.001 0.000 0.208 121 D C 1.038 177.357 176.300 0.032 0.000 0.966 121 D CA 0.760 54.789 54.000 0.048 0.000 0.864 121 D CB -0.037 40.769 40.800 0.010 0.000 0.933 121 D HN 0.196 nan 8.370 nan 0.000 0.499 122 D N -0.424 119.979 120.400 0.005 0.000 2.360 122 D HA 0.110 4.750 4.640 0.001 0.000 0.210 122 D C 0.643 176.919 176.300 -0.039 0.000 1.047 122 D CA -0.145 53.847 54.000 -0.014 0.000 0.854 122 D CB 0.638 41.424 40.800 -0.023 0.000 0.936 122 D HN 0.234 nan 8.370 nan 0.000 0.514 123 I N 1.457 121.972 120.570 -0.090 0.000 2.533 123 I HA -0.016 4.155 4.170 0.001 0.000 0.284 123 I C -0.071 176.088 176.117 0.069 0.000 1.109 123 I CA -0.068 61.080 61.300 -0.253 0.000 1.412 123 I CB 1.071 38.591 38.000 -0.799 0.000 1.396 123 I HN -0.338 nan 8.210 nan 0.000 0.543 124 V N 6.101 126.072 119.914 0.094 0.000 2.313 124 V HA 0.328 4.449 4.120 0.001 0.000 0.278 124 V C 0.015 176.343 176.094 0.389 0.000 1.017 124 V CA -0.192 62.256 62.300 0.247 0.000 0.823 124 V CB 0.992 32.958 31.823 0.239 0.000 1.010 124 V HN 0.780 nan 8.190 nan 0.000 0.443 125 S N 3.764 119.718 115.700 0.423 0.000 2.548 125 S HA 0.808 5.278 4.470 0.001 0.000 0.286 125 S C -0.050 174.766 174.600 0.360 0.000 1.098 125 S CA 0.116 58.599 58.200 0.472 0.000 0.930 125 S CB 2.030 65.405 63.200 0.292 0.000 1.070 125 S HN 0.984 nan 8.310 nan 0.000 0.480 126 A N 3.308 126.314 122.820 0.311 0.000 2.985 126 A HA 0.520 4.840 4.320 0.001 0.000 0.303 126 A C 0.306 178.119 177.584 0.383 0.000 1.048 126 A CA -0.631 51.516 52.037 0.183 0.000 1.016 126 A CB -1.180 17.688 19.000 -0.221 0.000 1.118 126 A HN 1.539 nan 8.150 nan 0.000 0.529 127 F N 0.575 120.653 119.950 0.213 0.000 3.079 127 F HA -0.266 4.261 4.527 0.001 0.000 0.274 127 F C 1.136 177.033 175.800 0.161 0.000 0.940 127 F CA 0.420 58.527 58.000 0.178 0.000 0.932 127 F CB -0.397 38.697 39.000 0.155 0.000 0.891 127 F HN 0.713 nan 8.300 nan 0.000 0.722 128 E N 1.574 121.903 120.200 0.215 0.000 2.410 128 E HA 0.492 4.842 4.350 0.001 0.000 0.255 128 E C 1.061 177.638 176.600 -0.038 0.000 1.194 128 E CA 0.428 56.897 56.400 0.115 0.000 0.955 128 E CB 0.709 30.522 29.700 0.188 0.000 0.988 128 E HN 0.673 nan 8.360 nan 0.000 0.461 129 G N 1.647 110.421 108.800 -0.042 0.000 2.593 129 G HA2 -0.327 3.634 3.960 0.001 0.000 0.237 129 G HA3 -0.327 3.634 3.960 0.001 0.000 0.237 129 G C -0.083 174.727 174.900 -0.150 0.000 1.312 129 G CA -0.050 44.991 45.100 -0.099 0.000 0.896 129 G HN 0.859 nan 8.290 nan 0.000 0.574 130 N N -1.185 117.413 118.700 -0.170 0.000 2.721 130 N HA -0.181 4.559 4.740 0.001 0.000 0.249 130 N C 0.423 175.875 175.510 -0.097 0.000 1.072 130 N CA 1.487 54.433 53.050 -0.174 0.000 0.710 130 N CB -1.449 36.867 38.487 -0.286 0.000 0.993 130 N HN 1.144 nan 8.380 nan 0.000 0.547 131 S N 0.683 116.359 115.700 -0.040 0.000 2.564 131 S HA 0.041 4.511 4.470 0.001 0.000 0.278 131 S C 0.849 175.477 174.600 0.047 0.000 1.333 131 S CA -0.623 57.601 58.200 0.040 0.000 1.048 131 S CB 1.148 64.404 63.200 0.093 0.000 0.900 131 S HN 0.346 nan 8.310 nan 0.000 0.505 132 N N 1.560 120.312 118.700 0.087 0.000 2.411 132 N HA -0.038 4.703 4.740 0.001 0.000 0.265 132 N C -0.702 174.888 175.510 0.134 0.000 1.266 132 N CA -0.411 52.689 53.050 0.082 0.000 0.889 132 N CB 0.138 38.663 38.487 0.063 0.000 1.069 132 N HN 0.344 nan 8.380 nan 0.000 0.476 133 L N 6.996 128.281 121.223 0.103 0.000 2.358 133 L HA 0.278 4.618 4.340 0.001 0.000 0.274 133 L C -0.797 176.301 176.870 0.381 0.000 1.136 133 L CA -0.278 54.673 54.840 0.185 0.000 0.970 133 L CB -0.588 41.429 42.059 -0.070 0.000 1.314 133 L HN 0.410 nan 8.230 nan 0.000 0.427 134 F N 3.833 123.898 119.950 0.192 0.000 2.538 134 F HA 0.152 4.679 4.527 0.001 0.000 0.371 134 F C -0.252 175.704 175.800 0.261 0.000 1.087 134 F CA -0.218 57.853 58.000 0.118 0.000 1.250 134 F CB 0.394 39.283 39.000 -0.185 0.000 1.110 134 F HN 0.546 nan 8.300 nan 0.000 0.570 135 W N 8.007 128.918 121.300 -0.649 0.000 2.481 135 W HA 0.475 5.135 4.660 0.001 0.000 0.320 135 W C -0.515 175.570 176.519 -0.723 0.000 1.209 135 W CA -1.829 54.925 57.345 -0.984 0.000 1.400 135 W CB 0.142 28.892 29.460 -1.184 0.000 1.361 135 W HN 0.661 nan 8.180 nan 0.000 0.456 136 A N 5.649 128.329 122.820 -0.234 0.000 3.026 136 A HA 0.042 4.362 4.320 0.001 0.000 0.272 136 A C 1.518 178.860 177.584 -0.403 0.000 1.782 136 A CA 0.113 52.144 52.037 -0.009 0.000 1.451 136 A CB -0.638 18.513 19.000 0.251 0.000 1.081 136 A HN 0.832 nan 8.150 nan 0.000 0.611 137 E N 1.160 120.812 120.200 -0.913 0.000 2.015 137 E HA -0.191 4.160 4.350 0.001 0.000 0.191 137 E C 2.051 178.376 176.600 -0.458 0.000 0.991 137 E CA 1.110 56.850 56.400 -1.100 0.000 0.802 137 E CB -0.029 28.702 29.700 -1.614 0.000 0.759 137 E HN 0.746 nan 8.360 nan 0.000 0.447 138 R N -0.645 119.695 120.500 -0.266 0.000 2.092 138 R HA -0.137 4.204 4.340 0.001 0.000 0.231 138 R C 2.305 178.612 176.300 0.013 0.000 1.119 138 R CA 1.301 57.333 56.100 -0.114 0.000 0.970 138 R CB -0.294 29.984 30.300 -0.037 0.000 0.864 138 R HN 0.199 nan 8.270 nan 0.000 0.440 139 F N 0.205 120.159 119.950 0.008 0.000 2.084 139 F HA -0.003 4.524 4.527 0.001 0.000 0.296 139 F C 2.064 177.928 175.800 0.107 0.000 1.111 139 F CA 1.904 60.013 58.000 0.182 0.000 1.224 139 F CB -0.756 38.323 39.000 0.131 0.000 0.991 139 F HN 0.062 nan 8.300 nan 0.000 0.471 140 G N 0.136 108.967 108.800 0.052 0.000 2.421 140 G HA2 -0.253 3.708 3.960 0.001 0.000 0.216 140 G HA3 -0.253 3.708 3.960 0.001 0.000 0.216 140 G C 1.740 176.548 174.900 -0.155 0.000 1.171 140 G CA 0.908 45.964 45.100 -0.074 0.000 0.775 140 G HN 0.332 nan 8.290 nan 0.000 0.543 141 K N -0.363 119.939 120.400 -0.163 0.000 2.116 141 K HA 0.020 4.340 4.320 0.001 0.000 0.203 141 K C 2.503 178.965 176.600 -0.231 0.000 1.052 141 K CA 0.915 57.100 56.287 -0.170 0.000 0.952 141 K CB -0.068 32.334 32.500 -0.162 0.000 0.729 141 K HN 0.329 nan 8.250 nan 0.000 0.446 142 Q N -0.680 118.924 119.800 -0.327 0.000 2.331 142 Q HA 0.000 4.341 4.340 0.001 0.000 0.203 142 Q C 0.961 176.521 176.000 -0.733 0.000 0.944 142 Q CA 1.033 56.506 55.803 -0.550 0.000 0.892 142 Q CB 0.343 28.647 28.738 -0.723 0.000 0.983 142 Q HN 0.234 nan 8.270 nan 0.000 0.482 143 F N -1.991 117.765 119.950 -0.324 0.000 2.667 143 F HA 0.192 4.719 4.527 0.000 0.000 0.288 143 F C 1.176 176.733 175.800 -0.406 0.000 1.086 143 F CA -0.014 57.773 58.000 -0.355 0.000 1.297 143 F CB 0.809 39.480 39.000 -0.548 0.000 1.059 143 F HN -0.082 nan 8.300 nan 0.000 0.624 144 L N -1.034 120.012 121.223 -0.295 0.000 2.920 144 L HA 0.439 4.780 4.340 0.001 0.000 0.257 144 L C 1.380 178.140 176.870 -0.184 0.000 1.150 144 L CA 0.400 55.049 54.840 -0.319 0.000 0.959 144 L CB 0.573 42.368 42.059 -0.440 0.000 1.321 144 L HN 0.187 nan 8.230 nan 0.000 0.555 145 G N 1.175 109.884 108.800 -0.152 0.000 2.179 145 G HA2 -0.304 3.656 3.960 0.001 0.000 0.257 145 G HA3 -0.304 3.656 3.960 0.001 0.000 0.257 145 G C 0.106 174.967 174.900 -0.065 0.000 1.010 145 G CA 0.325 45.365 45.100 -0.099 0.000 0.736 145 G HN 0.270 nan 8.290 nan 0.000 0.513 146 M N 0.634 120.194 119.600 -0.068 0.000 2.268 146 M HA 0.329 4.809 4.480 0.001 0.000 0.344 146 M C 1.337 177.656 176.300 0.031 0.000 1.106 146 M CA -0.699 54.597 55.300 -0.007 0.000 1.010 146 M CB 1.239 33.839 32.600 0.001 0.000 1.649 146 M HN 0.232 nan 8.290 nan 0.000 0.443 147 N N 0.369 119.126 118.700 0.096 0.000 2.409 147 N HA -0.043 4.697 4.740 0.001 0.000 0.174 147 N C 0.033 175.751 175.510 0.347 0.000 1.037 147 N CA 0.656 53.818 53.050 0.187 0.000 0.898 147 N CB 0.195 38.783 38.487 0.169 0.000 1.010 147 N HN 0.564 nan 8.380 nan 0.000 0.445 148 D N 0.321 120.885 120.400 0.274 0.000 2.892 148 D HA 0.205 4.846 4.640 0.001 0.000 0.291 148 D C -1.030 175.494 176.300 0.374 0.000 1.341 148 D CA -0.495 53.717 54.000 0.354 0.000 0.844 148 D CB -0.149 40.846 40.800 0.324 0.000 1.093 148 D HN 0.124 nan 8.370 nan 0.000 0.480 149 L N 0.683 122.038 121.223 0.220 0.000 2.312 149 L HA 0.601 4.941 4.340 0.001 0.000 0.281 149 L C -1.367 175.568 176.870 0.110 0.000 1.070 149 L CA -0.188 54.796 54.840 0.241 0.000 0.805 149 L CB 0.564 42.733 42.059 0.183 0.000 1.174 149 L HN -0.066 nan 8.230 nan 0.000 0.434 150 W N 3.924 125.443 121.300 0.366 0.000 2.915 150 W HA 0.682 5.342 4.660 0.000 0.000 0.337 150 W C -1.202 175.499 176.519 0.303 0.000 1.102 150 W CA -0.733 56.833 57.345 0.368 0.000 1.224 150 W CB 2.016 31.697 29.460 0.368 0.000 1.416 150 W HN 0.203 nan 8.180 nan 0.000 0.503 151 V N 2.895 123.136 119.914 0.544 0.000 2.407 151 V HA 0.268 4.388 4.120 0.001 0.000 0.291 151 V C -0.238 176.131 176.094 0.459 0.000 1.018 151 V CA -1.350 61.198 62.300 0.414 0.000 0.842 151 V CB 1.287 33.306 31.823 0.328 0.000 0.996 151 V HN 0.336 nan 8.190 nan 0.000 0.426 152 K N 3.580 124.178 120.400 0.330 0.000 2.315 152 K HA 0.189 4.510 4.320 0.001 0.000 0.291 152 K C 0.286 177.057 176.600 0.286 0.000 1.074 152 K CA 0.255 56.714 56.287 0.286 0.000 0.936 152 K CB -0.201 32.433 32.500 0.223 0.000 1.049 152 K HN 0.692 nan 8.250 nan 0.000 0.471 153 H N 4.872 124.015 119.070 0.122 0.000 2.855 153 H HA 0.045 4.602 4.556 0.001 0.000 0.238 153 H C 0.443 175.842 175.328 0.118 0.000 1.847 153 H CA -0.523 55.580 56.048 0.092 0.000 1.368 153 H CB 0.130 29.944 29.762 0.085 0.000 1.758 153 H HN 0.722 nan 8.280 nan 0.000 0.546 154 C N 0.789 120.203 119.300 0.189 0.000 2.432 154 C HA -0.082 4.379 4.460 0.001 0.000 0.282 154 C C 2.780 177.903 174.990 0.222 0.000 1.388 154 C CA 1.023 60.164 59.018 0.205 0.000 1.777 154 C CB -0.996 26.885 27.740 0.236 0.000 1.882 154 C HN 0.898 nan 8.230 nan 0.000 0.520 155 G N 0.494 109.414 108.800 0.201 0.000 2.471 155 G HA2 -0.037 3.923 3.960 0.001 0.000 0.219 155 G HA3 -0.037 3.923 3.960 0.001 0.000 0.219 155 G C 0.755 175.833 174.900 0.297 0.000 1.125 155 G CA 0.153 45.400 45.100 0.244 0.000 0.775 155 G HN 0.616 nan 8.290 nan 0.000 0.548 156 I N 1.892 122.639 120.570 0.295 0.000 2.366 156 I HA 0.233 4.404 4.170 0.001 0.000 0.302 156 I C 0.411 176.637 176.117 0.181 0.000 1.194 156 I CA -0.064 61.397 61.300 0.269 0.000 1.667 156 I CB -0.130 38.033 38.000 0.272 0.000 1.501 156 I HN -0.003 nan 8.210 nan 0.000 0.776 157 S N 1.227 117.028 115.700 0.168 0.000 2.732 157 S HA 0.277 4.748 4.470 0.001 0.000 0.293 157 S C 0.935 175.633 174.600 0.164 0.000 1.159 157 S CA -0.530 57.772 58.200 0.170 0.000 0.847 157 S CB 1.171 64.484 63.200 0.189 0.000 1.169 157 S HN 0.628 nan 8.310 nan 0.000 0.501 158 H N 0.740 119.875 119.070 0.108 0.000 2.319 158 H HA -0.101 4.456 4.556 0.000 0.000 0.297 158 H C 1.802 177.165 175.328 0.058 0.000 1.097 158 H CA 3.061 59.153 56.048 0.073 0.000 1.285 158 H CB 0.081 29.874 29.762 0.051 0.000 1.368 158 H HN 0.559 nan 8.280 nan 0.000 0.495 159 T N -4.173 110.531 114.554 0.250 0.000 3.054 159 T HA 0.299 4.650 4.350 0.001 0.000 0.255 159 T C 1.460 176.218 174.700 0.097 0.000 1.035 159 T CA 0.393 62.590 62.100 0.161 0.000 0.941 159 T CB 0.501 69.487 68.868 0.197 0.000 1.026 159 T HN 0.607 nan 8.240 nan 0.000 0.533 160 G N 1.048 109.917 108.800 0.115 0.000 2.141 160 G HA2 -0.129 3.831 3.960 0.001 0.000 0.231 160 G HA3 -0.129 3.831 3.960 0.001 0.000 0.231 160 G C 0.126 175.135 174.900 0.182 0.000 0.984 160 G CA 0.298 45.475 45.100 0.128 0.000 0.660 160 G HN 1.514 nan 8.290 nan 0.000 0.525 161 S N -0.801 114.997 115.700 0.164 0.000 2.671 161 S HA 0.844 5.314 4.470 0.001 0.000 0.277 161 S C 0.143 174.843 174.600 0.166 0.000 1.165 161 S CA -0.346 57.964 58.200 0.183 0.000 0.822 161 S CB 1.691 64.953 63.200 0.104 0.000 1.150 161 S HN 1.613 nan 8.310 nan 0.000 0.479 165 L N 1.049 122.225 121.223 -0.079 0.000 2.127 165 L HA 0.026 4.366 4.340 0.001 0.000 0.211 165 L C 2.261 179.013 176.870 -0.197 0.000 1.089 165 L CA 2.006 56.774 54.840 -0.121 0.000 0.757 165 L CB -0.305 41.721 42.059 -0.055 0.000 0.899 165 L HN 0.138 nan 8.230 nan 0.000 0.434 166 G N -1.380 107.314 108.800 -0.176 0.000 2.510 166 G HA2 -0.091 3.870 3.960 0.001 0.000 0.212 166 G HA3 -0.091 3.870 3.960 0.001 0.000 0.212 166 G C 1.561 176.342 174.900 -0.198 0.000 1.151 166 G CA -0.114 44.893 45.100 -0.155 0.000 0.817 166 G HN 0.014 nan 8.290 nan 0.000 0.534 167 M N 1.136 120.557 119.600 -0.299 0.000 2.296 167 M HA 0.017 4.497 4.480 0.001 0.000 0.265 167 M C 2.538 178.521 176.300 -0.529 0.000 1.064 167 M CA 1.044 56.118 55.300 -0.377 0.000 1.109 167 M CB -1.129 31.227 32.600 -0.408 0.000 1.396 167 M HN 0.277 nan 8.290 nan 0.000 0.430 168 T N 0.269 114.442 114.554 -0.635 0.000 2.915 168 T HA -0.044 4.307 4.350 0.001 0.000 0.269 168 T C 1.783 176.575 174.700 0.154 0.000 1.071 168 T CA 1.037 62.985 62.100 -0.254 0.000 1.132 168 T CB 0.085 68.981 68.868 0.048 0.000 0.878 168 T HN 0.149 nan 8.240 nan 0.000 0.479 169 V N 1.241 121.153 119.914 -0.003 0.000 2.302 169 V HA 0.028 4.149 4.120 0.001 0.000 0.243 169 V C 2.459 178.609 176.094 0.093 0.000 1.036 169 V CA 1.316 63.670 62.300 0.091 0.000 1.020 169 V CB -0.691 31.067 31.823 -0.108 0.000 0.657 169 V HN 0.384 nan 8.190 nan 0.000 0.453 170 L N 0.351 121.576 121.223 0.004 0.000 1.989 170 L HA -0.124 4.217 4.340 0.001 0.000 0.211 170 L C 2.377 179.216 176.870 -0.051 0.000 1.071 170 L CA 2.020 56.852 54.840 -0.014 0.000 0.749 170 L CB -0.629 41.431 42.059 0.001 0.000 0.890 170 L HN 0.133 nan 8.230 nan 0.000 0.431 171 V N -1.006 118.893 119.914 -0.024 0.000 2.407 171 V HA -0.256 3.864 4.120 0.001 0.000 0.248 171 V C 2.603 178.719 176.094 0.036 0.000 1.055 171 V CA 1.738 64.043 62.300 0.008 0.000 1.049 171 V CB -0.732 31.139 31.823 0.080 0.000 0.662 171 V HN 0.492 nan 8.190 nan 0.000 0.455 172 S N -0.536 115.220 115.700 0.093 0.000 2.359 172 S HA -0.321 4.149 4.470 0.001 0.000 0.224 172 S C 2.037 176.661 174.600 0.039 0.000 1.035 172 S CA 2.065 60.316 58.200 0.084 0.000 1.018 172 S CB -0.317 62.976 63.200 0.154 0.000 0.876 172 S HN 0.634 nan 8.310 nan 0.000 0.448 173 Q N 0.962 120.785 119.800 0.038 0.000 2.079 173 Q HA -0.023 4.318 4.340 0.001 0.000 0.200 173 Q C 1.971 177.936 176.000 -0.058 0.000 0.974 173 Q CA 1.367 57.171 55.803 0.002 0.000 0.840 173 Q CB -0.397 28.347 28.738 0.010 0.000 0.898 173 Q HN 0.354 nan 8.270 nan 0.000 0.430 174 V N 1.212 121.048 119.914 -0.131 0.000 2.343 174 V HA -0.251 3.869 4.120 0.001 0.000 0.247 174 V C 2.136 178.194 176.094 -0.060 0.000 1.051 174 V CA 1.868 64.069 62.300 -0.164 0.000 1.036 174 V CB -0.911 30.767 31.823 -0.241 0.000 0.654 174 V HN 0.475 nan 8.190 nan 0.000 0.451 175 N N 0.577 119.261 118.700 -0.028 0.000 2.061 175 N HA -0.240 4.500 4.740 0.001 0.000 0.193 175 N C 2.031 177.539 175.510 -0.004 0.000 1.030 175 N CA 1.987 55.035 53.050 -0.004 0.000 0.856 175 N CB -0.347 38.148 38.487 0.012 0.000 1.023 175 N HN 0.428 nan 8.380 nan 0.000 0.424 176 R N 0.288 120.785 120.500 -0.004 0.000 2.073 176 R HA -0.080 4.260 4.340 0.001 0.000 0.234 176 R C 2.099 178.403 176.300 0.006 0.000 1.134 176 R CA 1.260 57.361 56.100 0.002 0.000 0.952 176 R CB -0.383 29.922 30.300 0.007 0.000 0.850 176 R HN 0.296 nan 8.270 nan 0.000 0.433 177 L N 0.209 121.433 121.223 0.003 0.000 2.046 177 L HA -0.147 4.193 4.340 0.001 0.000 0.208 177 L C 2.823 179.702 176.870 0.015 0.000 1.077 177 L CA 1.451 56.299 54.840 0.013 0.000 0.747 177 L CB -0.532 41.537 42.059 0.016 0.000 0.896 177 L HN 0.231 nan 8.230 nan 0.000 0.432 178 R N 0.527 121.032 120.500 0.008 0.000 2.083 178 R HA -0.174 4.167 4.340 0.001 0.000 0.237 178 R C 2.330 178.636 176.300 0.010 0.000 1.137 178 R CA 1.476 57.583 56.100 0.011 0.000 0.951 178 R CB -0.245 30.059 30.300 0.008 0.000 0.851 178 R HN 0.356 nan 8.270 nan 0.000 0.434 179 K N 0.088 120.493 120.400 0.007 0.000 2.211 179 K HA -0.039 4.282 4.320 0.001 0.000 0.203 179 K C 1.768 178.374 176.600 0.009 0.000 1.050 179 K CA 1.030 57.321 56.287 0.006 0.000 0.945 179 K CB 0.035 32.537 32.500 0.004 0.000 0.732 179 K HN 0.174 nan 8.250 nan 0.000 0.451 180 M N 0.622 120.230 119.600 0.013 0.000 2.682 180 M HA 0.007 4.487 4.480 0.001 0.000 0.235 180 M C -0.304 176.006 176.300 0.017 0.000 1.114 180 M CA 0.757 56.067 55.300 0.016 0.000 1.053 180 M CB 0.038 32.650 32.600 0.020 0.000 1.599 180 M HN 0.015 nan 8.290 nan 0.000 0.520 181 K N 0.209 120.618 120.400 0.015 0.000 3.160 181 K HA -0.139 4.182 4.320 0.001 0.000 0.280 181 K C -0.594 176.018 176.600 0.020 0.000 1.154 181 K CA 0.461 56.757 56.287 0.015 0.000 0.822 181 K CB -1.123 31.384 32.500 0.013 0.000 1.239 181 K HN 0.338 nan 8.250 nan 0.000 0.489 182 R N 0.765 121.280 120.500 0.024 0.000 2.582 182 R HA 0.146 4.487 4.340 0.001 0.000 0.271 182 R C -2.098 174.223 176.300 0.035 0.000 1.078 182 R CA -1.772 54.346 56.100 0.031 0.000 1.127 182 R CB -0.209 30.114 30.300 0.038 0.000 1.038 182 R HN -0.008 nan 8.270 nan 0.000 0.500 183 P HA 0.090 nan 4.420 nan 0.000 0.249 183 P C -0.778 176.557 177.300 0.059 0.000 1.737 183 P CA 0.054 63.178 63.100 0.040 0.000 1.128 183 P CB 0.122 31.843 31.700 0.035 0.000 1.942 184 V N 3.418 123.367 119.914 0.059 0.000 2.385 184 V HA 0.045 4.165 4.120 0.001 0.000 0.277 184 V C 1.398 177.525 176.094 0.054 0.000 1.012 184 V CA -0.499 61.848 62.300 0.079 0.000 0.832 184 V CB 1.684 33.564 31.823 0.094 0.000 1.028 184 V HN 0.222 nan 8.190 nan 0.000 0.436 185 V N 1.119 121.062 119.914 0.048 0.000 3.541 185 V HA 0.731 4.851 4.120 0.001 0.000 0.267 185 V C 0.808 176.921 176.094 0.031 0.000 1.213 185 V CA 1.189 63.506 62.300 0.029 0.000 1.149 185 V CB -0.174 31.659 31.823 0.016 0.000 0.822 185 V HN 0.981 nan 8.190 nan 0.000 0.462 186 G N -1.029 107.803 108.800 0.053 0.000 2.322 186 G HA2 0.488 4.448 3.960 0.001 0.000 0.295 186 G HA3 0.488 4.448 3.960 0.001 0.000 0.295 186 G C -1.706 173.250 174.900 0.093 0.000 1.369 186 G CA -0.019 45.116 45.100 0.059 0.000 0.821 186 G HN 0.383 nan 8.290 nan 0.000 0.536 187 V N -0.024 119.946 119.914 0.093 0.000 2.555 187 V HA 0.861 4.981 4.120 0.001 0.000 0.302 187 V C 0.783 176.918 176.094 0.069 0.000 1.038 187 V CA 0.121 62.495 62.300 0.124 0.000 0.887 187 V CB 1.422 33.322 31.823 0.128 0.000 0.991 187 V HN 1.369 nan 8.190 nan 0.000 0.434 188 G N 1.534 110.348 108.800 0.023 0.000 2.453 188 G HA2 0.754 4.714 3.960 0.001 0.000 0.323 188 G HA3 0.754 4.714 3.960 0.001 0.000 0.323 188 G C -0.708 174.131 174.900 -0.102 0.000 1.198 188 G CA -0.254 44.795 45.100 -0.086 0.000 0.959 188 G HN 1.366 nan 8.290 nan 0.000 0.482 189 C N -1.272 117.948 119.300 -0.134 0.000 3.275 189 C HA 0.903 5.364 4.460 0.001 0.000 0.340 189 C C -0.624 174.327 174.990 -0.065 0.000 1.366 189 C CA -0.332 58.630 59.018 -0.094 0.000 1.227 189 C CB 1.170 28.905 27.740 -0.007 0.000 1.512 189 C HN 1.883 nan 8.230 nan 0.000 0.461 190 A N 1.790 124.603 122.820 -0.011 0.000 2.768 190 A HA 0.828 5.149 4.320 0.001 0.000 0.299 190 A C -0.567 177.149 177.584 0.219 0.000 1.171 190 A CA 0.305 52.390 52.037 0.079 0.000 0.759 190 A CB 0.651 19.651 19.000 0.001 0.000 1.267 190 A HN 1.799 nan 8.150 nan 0.000 0.421 191 S N 0.205 116.075 115.700 0.283 0.000 2.556 191 S HA 0.607 5.077 4.470 0.001 0.000 0.271 191 S C -0.181 174.544 174.600 0.207 0.000 1.135 191 S CA -0.252 58.166 58.200 0.364 0.000 0.858 191 S CB 1.349 64.678 63.200 0.215 0.000 1.114 191 S HN 0.660 nan 8.310 nan 0.000 0.468 192 T N 3.317 117.925 114.554 0.090 0.000 3.462 192 T HA 0.416 4.766 4.350 0.001 0.000 0.257 192 T C 1.482 176.215 174.700 0.056 0.000 1.015 192 T CA 0.552 62.675 62.100 0.039 0.000 1.135 192 T CB -0.760 68.074 68.868 -0.057 0.000 1.061 192 T HN 1.241 nan 8.240 nan 0.000 0.772 193 G N 3.985 112.823 108.800 0.063 0.000 4.825 193 G HA2 -0.395 3.566 3.960 0.001 0.000 0.224 193 G HA3 -0.395 3.566 3.960 0.001 0.000 0.224 193 G C 1.062 175.984 174.900 0.037 0.000 1.356 193 G CA 0.455 45.580 45.100 0.041 0.000 0.966 193 G HN 0.568 nan 8.290 nan 0.000 0.690 194 D N 0.451 120.875 120.400 0.040 0.000 2.133 194 D HA -0.089 4.551 4.640 0.001 0.000 0.192 194 D C 2.578 178.872 176.300 -0.011 0.000 1.001 194 D CA 2.176 56.190 54.000 0.023 0.000 0.844 194 D CB -0.620 40.206 40.800 0.043 0.000 0.944 194 D HN 0.519 nan 8.370 nan 0.000 0.447 195 T N 0.251 114.805 114.554 -0.001 0.000 2.770 195 T HA -0.108 4.242 4.350 0.001 0.000 0.263 195 T C 2.216 176.933 174.700 0.028 0.000 1.039 195 T CA 1.768 63.865 62.100 -0.006 0.000 1.142 195 T CB -0.203 68.677 68.868 0.020 0.000 0.868 195 T HN 0.225 nan 8.240 nan 0.000 0.435 196 S N 2.137 117.869 115.700 0.053 0.000 2.383 196 S HA 0.043 4.513 4.470 0.001 0.000 0.227 196 S C 2.451 177.096 174.600 0.074 0.000 1.026 196 S CA 0.886 59.127 58.200 0.069 0.000 0.981 196 S CB -0.694 62.555 63.200 0.081 0.000 0.818 196 S HN 0.474 nan 8.310 nan 0.000 0.472 197 A N 2.452 125.311 122.820 0.066 0.000 1.883 197 A HA 0.182 4.502 4.320 0.001 0.000 0.217 197 A C 2.572 180.226 177.584 0.117 0.000 1.186 197 A CA 2.069 54.152 52.037 0.077 0.000 0.624 197 A CB -1.577 17.457 19.000 0.056 0.000 0.822 197 A HN 0.870 nan 8.150 nan 0.000 0.444 198 A N -0.560 122.325 122.820 0.109 0.000 1.858 198 A HA -0.002 4.319 4.320 0.001 0.000 0.216 198 A C 2.175 179.887 177.584 0.213 0.000 1.190 198 A CA 1.748 53.887 52.037 0.169 0.000 0.617 198 A CB -0.748 18.285 19.000 0.055 0.000 0.827 198 A HN 0.789 nan 8.150 nan 0.000 0.443 199 L N 0.154 121.446 121.223 0.115 0.000 1.989 199 L HA -0.148 4.192 4.340 0.001 0.000 0.211 199 L C 2.488 179.448 176.870 0.149 0.000 1.071 199 L CA 2.834 57.742 54.840 0.113 0.000 0.749 199 L CB -0.782 41.324 42.059 0.077 0.000 0.890 199 L HN 0.286 nan 8.230 nan 0.000 0.431 200 S N -0.120 115.655 115.700 0.126 0.000 2.382 200 S HA -0.153 4.317 4.470 0.001 0.000 0.228 200 S C 2.069 176.736 174.600 0.111 0.000 1.027 200 S CA 1.102 59.370 58.200 0.113 0.000 0.991 200 S CB -0.683 62.576 63.200 0.099 0.000 0.823 200 S HN 0.701 nan 8.310 nan 0.000 0.469 201 A N 0.329 123.225 122.820 0.126 0.000 1.898 201 A HA -0.062 4.258 4.320 0.001 0.000 0.216 201 A C 1.895 179.456 177.584 -0.038 0.000 1.181 201 A CA 1.283 53.356 52.037 0.060 0.000 0.620 201 A CB -0.827 18.223 19.000 0.083 0.000 0.819 201 A HN 0.535 nan 8.150 nan 0.000 0.442 202 Y N -0.732 119.559 120.300 -0.014 0.000 2.220 202 Y HA -0.192 4.358 4.550 0.001 0.000 0.291 202 Y C 2.872 178.775 175.900 0.006 0.000 1.129 202 Y CA 1.107 59.196 58.100 -0.019 0.000 1.161 202 Y CB -0.770 37.691 38.460 0.001 0.000 0.997 202 Y HN 0.378 nan 8.280 nan 0.000 0.522 203 C N -0.482 118.919 119.300 0.168 0.000 2.413 203 C HA -0.226 4.235 4.460 0.001 0.000 0.276 203 C C 3.016 178.045 174.990 0.064 0.000 1.248 203 C CA 1.134 60.212 59.018 0.101 0.000 1.742 203 C CB -1.494 26.302 27.740 0.093 0.000 2.017 203 C HN 0.636 nan 8.230 nan 0.000 0.481 204 A N 1.343 124.196 122.820 0.055 0.000 1.883 204 A HA -0.191 4.129 4.320 0.001 0.000 0.217 204 A C 2.303 179.895 177.584 0.012 0.000 1.186 204 A CA 2.571 54.629 52.037 0.035 0.000 0.624 204 A CB -1.008 18.015 19.000 0.039 0.000 0.822 204 A HN 0.731 nan 8.150 nan 0.000 0.444 205 S N -0.227 115.465 115.700 -0.013 0.000 2.419 205 S HA 0.121 4.591 4.470 0.001 0.000 0.233 205 S C 1.707 176.298 174.600 -0.014 0.000 1.016 205 S CA 1.214 59.395 58.200 -0.032 0.000 0.974 205 S CB -0.408 62.738 63.200 -0.089 0.000 0.786 205 S HN 0.971 nan 8.310 nan 0.000 0.492 206 A N 0.532 123.358 122.820 0.009 0.000 2.308 206 A HA 0.611 4.931 4.320 0.001 0.000 0.217 206 A C 1.572 179.162 177.584 0.011 0.000 1.216 206 A CA 0.332 52.378 52.037 0.015 0.000 0.864 206 A CB -0.919 18.105 19.000 0.039 0.000 0.902 206 A HN 1.524 nan 8.150 nan 0.000 0.499 207 G N -0.176 108.631 108.800 0.013 0.000 2.246 207 G HA2 -0.221 3.740 3.960 0.001 0.000 0.273 207 G HA3 -0.221 3.740 3.960 0.001 0.000 0.273 207 G C -0.093 174.818 174.900 0.018 0.000 1.055 207 G CA 0.423 45.531 45.100 0.012 0.000 0.851 207 G HN 0.505 nan 8.290 nan 0.000 0.500 208 I N 0.878 121.466 120.570 0.029 0.000 2.339 208 I HA 0.296 4.466 4.170 0.001 0.000 0.290 208 I C -1.981 174.162 176.117 0.043 0.000 0.994 208 I CA -2.571 58.749 61.300 0.033 0.000 1.191 208 I CB 1.795 39.818 38.000 0.038 0.000 1.343 208 I HN -0.135 nan 8.210 nan 0.000 0.458 209 P HA 0.021 nan 4.420 nan 0.000 0.268 209 P C -0.656 176.686 177.300 0.071 0.000 1.204 209 P CA -0.034 63.094 63.100 0.046 0.000 0.768 209 P CB 0.728 32.437 31.700 0.016 0.000 0.842 210 S N 3.068 118.827 115.700 0.100 0.000 2.519 210 S HA 0.616 5.086 4.470 0.001 0.000 0.309 210 S C -0.794 173.902 174.600 0.160 0.000 1.100 210 S CA -0.723 57.544 58.200 0.113 0.000 1.059 210 S CB -0.033 63.231 63.200 0.107 0.000 1.008 210 S HN 0.197 nan 8.310 nan 0.000 0.478 211 I N 4.794 125.450 120.570 0.144 0.000 2.362 211 I HA 0.459 4.630 4.170 0.001 0.000 0.289 211 I C -0.928 175.273 176.117 0.140 0.000 0.994 211 I CA -0.777 60.646 61.300 0.205 0.000 1.158 211 I CB 1.959 40.075 38.000 0.193 0.000 1.315 211 I HN 0.319 nan 8.210 nan 0.000 0.451 212 V N 6.794 126.840 119.914 0.220 0.000 2.444 212 V HA 0.407 4.527 4.120 0.001 0.000 0.294 212 V C -0.406 175.924 176.094 0.394 0.000 1.022 212 V CA -0.546 61.878 62.300 0.207 0.000 0.850 212 V CB 1.448 33.355 31.823 0.140 0.000 0.992 212 V HN 0.453 nan 8.190 nan 0.000 0.426 213 F N 5.596 125.557 119.950 0.017 0.000 2.385 213 F HA 0.654 5.181 4.527 0.001 0.000 0.360 213 F C -0.057 175.753 175.800 0.017 0.000 1.122 213 F CA -0.693 57.306 58.000 -0.002 0.000 1.090 213 F CB 1.242 40.230 39.000 -0.020 0.000 1.150 213 F HN 0.225 nan 8.300 nan 0.000 0.472 214 L N 5.706 127.009 121.223 0.132 0.000 2.422 214 L HA 0.464 4.804 4.340 0.001 0.000 0.264 214 L C -2.438 174.461 176.870 0.048 0.000 0.984 214 L CA -2.343 52.563 54.840 0.110 0.000 0.819 214 L CB 2.845 44.962 42.059 0.097 0.000 1.330 214 L HN 0.306 nan 8.230 nan 0.000 0.410 215 P HA 0.047 nan 4.420 nan 0.000 0.269 215 P C -0.036 177.276 177.300 0.020 0.000 1.209 215 P CA -0.097 63.029 63.100 0.044 0.000 0.776 215 P CB 1.354 33.105 31.700 0.087 0.000 0.876 216 A N 4.072 126.890 122.820 -0.003 0.000 1.825 216 A HA -0.197 4.123 4.320 0.001 0.000 0.214 216 A C 1.819 179.403 177.584 0.000 0.000 1.206 216 A CA 2.001 54.031 52.037 -0.012 0.000 0.609 216 A CB -1.522 17.463 19.000 -0.024 0.000 0.851 216 A HN 0.543 nan 8.150 nan 0.000 0.445 217 N N -0.240 118.462 118.700 0.004 0.000 2.376 217 N HA -0.033 4.707 4.740 0.001 0.000 0.177 217 N C 1.563 177.081 175.510 0.014 0.000 1.024 217 N CA 0.902 53.956 53.050 0.006 0.000 0.893 217 N CB -0.030 38.459 38.487 0.004 0.000 0.980 217 N HN 0.307 nan 8.380 nan 0.000 0.439 218 K N 0.803 121.217 120.400 0.023 0.000 2.063 218 K HA -0.032 4.288 4.320 0.001 0.000 0.208 218 K C 0.762 177.379 176.600 0.028 0.000 1.048 218 K CA 0.876 57.180 56.287 0.030 0.000 0.928 218 K CB -0.341 32.190 32.500 0.051 0.000 0.713 218 K HN 0.421 nan 8.250 nan 0.000 0.442 219 I N -2.391 118.198 120.570 0.032 0.000 2.499 219 I HA 0.284 4.454 4.170 0.001 0.000 0.288 219 I C 0.515 176.644 176.117 0.020 0.000 1.048 219 I CA -0.597 60.720 61.300 0.028 0.000 1.062 219 I CB 2.393 40.415 38.000 0.036 0.000 1.238 219 I HN -0.273 nan 8.210 nan 0.000 0.426 220 S N 4.471 120.180 115.700 0.016 0.000 2.412 220 S HA 0.185 4.655 4.470 0.001 0.000 0.199 220 S C 1.114 175.719 174.600 0.007 0.000 1.099 220 S CA 0.932 59.138 58.200 0.010 0.000 1.243 220 S CB -0.074 63.132 63.200 0.010 0.000 0.996 220 S HN 0.833 nan 8.310 nan 0.000 0.402 221 M N -1.017 118.588 119.600 0.007 0.000 2.109 221 M HA 0.287 4.768 4.480 0.001 0.000 0.372 221 M C 1.645 177.948 176.300 0.005 0.000 0.840 221 M CA 0.155 55.458 55.300 0.005 0.000 1.128 221 M CB 0.341 32.941 32.600 0.001 0.000 2.136 221 M HN 0.377 nan 8.290 nan 0.000 0.723 222 A N 0.641 123.465 122.820 0.007 0.000 1.873 222 A HA -0.160 4.160 4.320 0.001 0.000 0.215 222 A C 1.813 179.394 177.584 -0.006 0.000 1.186 222 A CA 1.633 53.672 52.037 0.003 0.000 0.616 222 A CB -0.409 18.597 19.000 0.009 0.000 0.823 222 A HN 0.450 nan 8.150 nan 0.000 0.442 223 Q N -0.515 119.283 119.800 -0.003 0.000 2.369 223 Q HA 0.072 4.413 4.340 0.001 0.000 0.206 223 Q C 1.422 177.417 176.000 -0.008 0.000 0.963 223 Q CA 1.076 56.870 55.803 -0.015 0.000 0.894 223 Q CB -0.245 28.495 28.738 0.003 0.000 0.965 223 Q HN 0.821 nan 8.270 nan 0.000 0.475 224 L N -4.166 117.060 121.223 0.006 0.000 2.910 224 L HA 0.374 4.714 4.340 0.001 0.000 0.252 224 L C 1.335 178.214 176.870 0.014 0.000 1.195 224 L CA -0.186 54.664 54.840 0.017 0.000 1.003 224 L CB 0.023 42.098 42.059 0.027 0.000 1.328 224 L HN -0.126 nan 8.230 nan 0.000 0.540 225 V N 0.474 120.391 119.914 0.005 0.000 2.407 225 V HA -0.273 3.848 4.120 0.001 0.000 0.248 225 V C 2.453 178.554 176.094 0.013 0.000 1.055 225 V CA 2.143 64.446 62.300 0.005 0.000 1.049 225 V CB 0.002 31.823 31.823 -0.003 0.000 0.662 225 V HN 0.751 nan 8.190 nan 0.000 0.455 226 Q N -0.208 119.600 119.800 0.014 0.000 1.993 226 Q HA -0.153 4.187 4.340 0.001 0.000 0.202 226 Q C 0.154 176.180 176.000 0.044 0.000 0.984 226 Q CA 2.486 58.305 55.803 0.027 0.000 0.837 226 Q CB -1.267 27.488 28.738 0.030 0.000 0.902 226 Q HN 0.546 nan 8.270 nan 0.000 0.423 227 P HA -0.186 nan 4.420 nan 0.000 0.215 227 P C 1.058 178.392 177.300 0.056 0.000 1.157 227 P CA 1.255 64.392 63.100 0.062 0.000 0.874 227 P CB -0.085 31.654 31.700 0.066 0.000 0.790 228 I N -0.517 120.077 120.570 0.041 0.000 2.118 228 I HA -0.310 3.861 4.170 0.001 0.000 0.241 228 I C 2.312 178.451 176.117 0.037 0.000 1.070 228 I CA 1.882 63.202 61.300 0.033 0.000 1.327 228 I CB -0.820 37.191 38.000 0.019 0.000 1.034 228 I HN -0.074 nan 8.210 nan 0.000 0.405 229 A N 0.294 123.133 122.820 0.032 0.000 2.015 229 A HA -0.168 4.153 4.320 0.001 0.000 0.219 229 A C 1.784 179.391 177.584 0.039 0.000 1.163 229 A CA 1.584 53.639 52.037 0.030 0.000 0.646 229 A CB -0.924 18.089 19.000 0.021 0.000 0.806 229 A HN 0.544 nan 8.150 nan 0.000 0.448 230 N N -0.497 118.232 118.700 0.050 0.000 2.434 230 N HA 0.267 5.007 4.740 0.001 0.000 0.196 230 N C 0.833 176.381 175.510 0.063 0.000 1.183 230 N CA 0.314 53.399 53.050 0.058 0.000 0.849 230 N CB 0.041 38.570 38.487 0.070 0.000 0.992 230 N HN 0.583 nan 8.380 nan 0.000 0.460 231 G N 0.432 109.271 108.800 0.065 0.000 2.160 231 G HA2 -0.315 3.646 3.960 0.001 0.000 0.251 231 G HA3 -0.315 3.646 3.960 0.001 0.000 0.251 231 G C 0.210 175.175 174.900 0.109 0.000 1.008 231 G CA 0.178 45.325 45.100 0.078 0.000 0.724 231 G HN 0.512 nan 8.290 nan 0.000 0.514 232 A N -0.503 122.384 122.820 0.112 0.000 2.386 232 A HA 0.623 4.944 4.320 0.001 0.000 0.248 232 A C 0.054 177.760 177.584 0.204 0.000 1.082 232 A CA -0.263 51.863 52.037 0.147 0.000 0.789 232 A CB 0.392 19.464 19.000 0.120 0.000 1.025 232 A HN 1.175 nan 8.150 nan 0.000 0.490 233 F N 3.351 123.343 119.950 0.070 0.000 2.423 233 F HA 0.412 4.939 4.527 0.001 0.000 0.356 233 F C -0.078 175.784 175.800 0.103 0.000 1.170 233 F CA -0.342 57.704 58.000 0.077 0.000 1.163 233 F CB 0.290 39.339 39.000 0.081 0.000 1.318 233 F HN 0.229 nan 8.300 nan 0.000 0.569 234 V N 7.218 127.014 119.914 -0.197 0.000 2.407 234 V HA 0.293 4.413 4.120 0.001 0.000 0.278 234 V C -0.253 175.662 176.094 -0.299 0.000 1.037 234 V CA -0.727 61.488 62.300 -0.141 0.000 0.900 234 V CB 1.246 33.031 31.823 -0.062 0.000 0.983 234 V HN 0.384 nan 8.190 nan 0.000 0.459 235 L N 3.949 125.051 121.223 -0.202 0.000 2.322 235 L HA 0.477 4.817 4.340 0.001 0.000 0.281 235 L C 0.383 177.124 176.870 -0.214 0.000 1.014 235 L CA 0.349 55.014 54.840 -0.292 0.000 0.815 235 L CB 1.961 43.751 42.059 -0.448 0.000 1.247 235 L HN 0.657 nan 8.230 nan 0.000 0.421 236 S N 4.898 120.487 115.700 -0.185 0.000 2.415 236 S HA 0.534 5.004 4.470 0.001 0.000 0.313 236 S C -0.149 174.367 174.600 -0.140 0.000 1.067 236 S CA -0.712 57.413 58.200 -0.125 0.000 1.099 236 S CB -0.337 62.810 63.200 -0.088 0.000 0.991 236 S HN 0.341 nan 8.310 nan 0.000 0.491 237 I N 3.379 123.862 120.570 -0.145 0.000 2.440 237 I HA 0.273 4.443 4.170 0.001 0.000 0.294 237 I C 0.303 176.370 176.117 -0.082 0.000 0.995 237 I CA -0.531 60.679 61.300 -0.150 0.000 1.306 237 I CB 1.079 38.968 38.000 -0.185 0.000 1.407 237 I HN 0.487 nan 8.210 nan 0.000 0.501 238 D N 4.396 124.752 120.400 -0.074 0.000 2.934 238 D HA 0.226 4.867 4.640 0.001 0.000 0.237 238 D C -0.235 176.046 176.300 -0.032 0.000 1.158 238 D CA 0.413 54.386 54.000 -0.045 0.000 0.971 238 D CB 0.208 40.983 40.800 -0.042 0.000 1.123 238 D HN 0.587 nan 8.370 nan 0.000 0.467 239 T N -1.902 112.637 114.554 -0.024 0.000 2.731 239 T HA 0.223 4.573 4.350 0.001 0.000 0.300 239 T C -0.369 174.340 174.700 0.014 0.000 1.283 239 T CA -1.192 60.902 62.100 -0.009 0.000 1.005 239 T CB 1.734 70.590 68.868 -0.019 0.000 1.420 239 T HN 0.129 nan 8.240 nan 0.000 0.503 240 D N -0.236 120.181 120.400 0.029 0.000 2.447 240 D HA 0.126 4.766 4.640 0.001 0.000 0.265 240 D C 0.943 177.306 176.300 0.105 0.000 1.250 240 D CA -0.650 53.394 54.000 0.073 0.000 1.046 240 D CB 0.648 41.493 40.800 0.075 0.000 1.095 240 D HN 0.332 nan 8.370 nan 0.000 0.555 241 F N 0.459 120.420 119.950 0.018 0.000 2.161 241 F HA -0.207 4.320 4.527 0.001 0.000 0.300 241 F C 1.858 177.676 175.800 0.029 0.000 1.089 241 F CA 1.899 59.915 58.000 0.028 0.000 1.282 241 F CB -0.313 38.704 39.000 0.028 0.000 1.010 241 F HN 0.287 nan 8.300 nan 0.000 0.485 242 D N -0.095 120.265 120.400 -0.066 0.000 2.144 242 D HA -0.100 4.541 4.640 0.001 0.000 0.200 242 D C 2.483 178.690 176.300 -0.156 0.000 0.978 242 D CA 1.461 55.370 54.000 -0.152 0.000 0.833 242 D CB -0.811 39.983 40.800 -0.011 0.000 0.961 242 D HN 0.366 nan 8.370 nan 0.000 0.470 243 G N -0.451 108.298 108.800 -0.085 0.000 2.432 243 G HA2 -0.236 3.724 3.960 0.001 0.000 0.219 243 G HA3 -0.236 3.724 3.960 0.001 0.000 0.219 243 G C 1.943 176.808 174.900 -0.058 0.000 1.135 243 G CA 0.964 46.029 45.100 -0.058 0.000 0.767 243 G HN 0.371 nan 8.290 nan 0.000 0.550 244 C N 0.287 119.535 119.300 -0.087 0.000 2.450 244 C HA 0.159 4.619 4.460 0.001 0.000 0.279 244 C C 2.896 177.856 174.990 -0.051 0.000 1.335 244 C CA 0.387 59.399 59.018 -0.009 0.000 1.749 244 C CB -0.533 27.210 27.740 0.005 0.000 1.963 244 C HN 0.376 nan 8.230 nan 0.000 0.501 245 M N 0.867 120.306 119.600 -0.269 0.000 2.175 245 M HA -0.116 4.364 4.480 0.001 0.000 0.264 245 M C 2.158 178.369 176.300 -0.149 0.000 1.063 245 M CA 1.608 56.742 55.300 -0.276 0.000 1.119 245 M CB -0.849 31.499 32.600 -0.420 0.000 1.377 245 M HN 0.447 nan 8.290 nan 0.000 0.415 246 K N 0.108 120.443 120.400 -0.108 0.000 2.057 246 K HA -0.092 4.228 4.320 0.001 0.000 0.206 246 K C 1.983 178.571 176.600 -0.019 0.000 1.050 246 K CA 1.054 57.304 56.287 -0.061 0.000 0.935 246 K CB -0.165 32.307 32.500 -0.046 0.000 0.715 246 K HN 0.265 nan 8.250 nan 0.000 0.439 247 L N 0.345 121.592 121.223 0.041 0.000 2.156 247 L HA -0.109 4.231 4.340 0.001 0.000 0.208 247 L C 2.292 179.259 176.870 0.161 0.000 1.095 247 L CA 0.368 55.290 54.840 0.137 0.000 0.770 247 L CB -0.126 42.053 42.059 0.201 0.000 0.914 247 L HN 0.124 nan 8.230 nan 0.000 0.439 248 I N -0.329 120.263 120.570 0.036 0.000 2.493 248 I HA -0.211 3.960 4.170 0.001 0.000 0.254 248 I C 2.558 178.549 176.117 -0.210 0.000 1.160 248 I CA 1.255 62.376 61.300 -0.299 0.000 1.445 248 I CB -0.183 37.533 38.000 -0.473 0.000 1.086 248 I HN 0.089 nan 8.210 nan 0.000 0.433 249 R N 0.172 120.589 120.500 -0.138 0.000 2.062 249 R HA -0.118 4.222 4.340 0.001 0.000 0.231 249 R C 2.162 178.414 176.300 -0.080 0.000 1.136 249 R CA 1.671 57.694 56.100 -0.128 0.000 0.948 249 R CB -0.408 29.826 30.300 -0.110 0.000 0.845 249 R HN 0.417 nan 8.270 nan 0.000 0.430 250 E N 0.379 120.558 120.200 -0.036 0.000 2.085 250 E HA -0.216 4.135 4.350 0.001 0.000 0.194 250 E C 1.956 178.558 176.600 0.002 0.000 0.994 250 E CA 1.012 57.408 56.400 -0.006 0.000 0.801 250 E CB -0.046 29.667 29.700 0.022 0.000 0.743 250 E HN 0.216 nan 8.360 nan 0.000 0.453 251 I N 0.959 121.534 120.570 0.007 0.000 2.142 251 I HA -0.208 3.963 4.170 0.001 0.000 0.240 251 I C 2.394 178.495 176.117 -0.027 0.000 1.078 251 I CA 1.474 62.781 61.300 0.012 0.000 1.343 251 I CB -1.463 36.542 38.000 0.008 0.000 1.046 251 I HN 0.064 nan 8.210 nan 0.000 0.405 252 T N 1.295 115.804 114.554 -0.075 0.000 2.881 252 T HA -0.101 4.250 4.350 0.001 0.000 0.270 252 T C 1.926 176.604 174.700 -0.037 0.000 1.068 252 T CA 1.263 63.319 62.100 -0.074 0.000 1.131 252 T CB -0.218 68.564 68.868 -0.143 0.000 0.871 252 T HN 0.454 nan 8.240 nan 0.000 0.479 253 A N 1.035 123.835 122.820 -0.033 0.000 1.969 253 A HA -0.073 4.247 4.320 0.001 0.000 0.218 253 A C 2.154 179.735 177.584 -0.004 0.000 1.169 253 A CA 1.321 53.348 52.037 -0.017 0.000 0.635 253 A CB -0.170 18.820 19.000 -0.018 0.000 0.810 253 A HN 0.543 nan 8.150 nan 0.000 0.445 254 E N -1.278 118.923 120.200 0.001 0.000 2.332 254 E HA 0.253 4.603 4.350 0.001 0.000 0.202 254 E C -0.204 176.404 176.600 0.013 0.000 0.877 254 E CA -0.307 56.098 56.400 0.009 0.000 0.979 254 E CB 0.137 29.845 29.700 0.013 0.000 0.969 254 E HN 0.451 nan 8.360 nan 0.000 0.495 255 L N 3.626 124.857 121.223 0.013 0.000 2.350 255 L HA 0.201 4.541 4.340 0.001 0.000 0.275 255 L C -1.987 174.896 176.870 0.022 0.000 1.099 255 L CA -1.839 53.012 54.840 0.018 0.000 0.808 255 L CB 0.562 42.634 42.059 0.022 0.000 1.149 255 L HN -0.095 nan 8.230 nan 0.000 0.442 256 P HA 0.135 nan 4.420 nan 0.000 0.232 256 P C -0.499 176.837 177.300 0.060 0.000 1.738 256 P CA 0.435 63.561 63.100 0.043 0.000 0.948 256 P CB -0.380 31.342 31.700 0.038 0.000 1.943 257 I N 1.264 121.868 120.570 0.056 0.000 2.389 257 I HA 0.246 4.416 4.170 0.001 0.000 0.288 257 I C 0.266 176.446 176.117 0.104 0.000 0.999 257 I CA -1.352 59.990 61.300 0.070 0.000 1.129 257 I CB 1.413 39.425 38.000 0.019 0.000 1.288 257 I HN 0.029 nan 8.210 nan 0.000 0.444 258 Y N 6.781 127.109 120.300 0.046 0.000 2.425 258 Y HA 0.263 4.814 4.550 0.001 0.000 0.331 258 Y C -0.479 175.440 175.900 0.032 0.000 1.157 258 Y CA -0.075 58.084 58.100 0.099 0.000 1.372 258 Y CB 0.841 39.365 38.460 0.106 0.000 1.253 258 Y HN 0.438 nan 8.280 nan 0.000 0.536 259 L N 6.349 127.351 121.223 -0.368 0.000 2.264 259 L HA 0.619 4.960 4.340 0.001 0.000 0.289 259 L C -0.660 176.054 176.870 -0.260 0.000 1.044 259 L CA -0.380 54.223 54.840 -0.395 0.000 0.807 259 L CB 0.605 42.227 42.059 -0.728 0.000 1.192 259 L HN 0.714 nan 8.230 nan 0.000 0.425 260 A N 5.486 128.283 122.820 -0.040 0.000 2.253 260 A HA 0.670 4.990 4.320 0.001 0.000 0.316 260 A C -0.354 177.213 177.584 -0.028 0.000 1.327 260 A CA -0.433 51.640 52.037 0.060 0.000 0.917 260 A CB -0.064 19.006 19.000 0.117 0.000 1.162 260 A HN 0.938 nan 8.150 nan 0.000 0.535 261 N N 0.272 118.952 118.700 -0.033 0.000 3.229 261 N HA 0.305 5.046 4.740 0.001 0.000 0.315 261 N C 0.749 176.266 175.510 0.012 0.000 1.520 261 N CA -0.709 52.317 53.050 -0.040 0.000 0.769 261 N CB 1.603 40.018 38.487 -0.121 0.000 1.766 261 N HN 0.370 nan 8.380 nan 0.000 0.618 262 S N 0.211 115.922 115.700 0.018 0.000 2.453 262 S HA -0.020 4.450 4.470 0.001 0.000 0.231 262 S C 1.707 176.327 174.600 0.033 0.000 1.005 262 S CA 0.771 58.995 58.200 0.040 0.000 0.949 262 S CB -0.178 63.050 63.200 0.046 0.000 0.774 262 S HN 0.314 nan 8.310 nan 0.000 0.510 263 L N 1.799 123.028 121.223 0.010 0.000 2.093 263 L HA 0.024 4.365 4.340 0.001 0.000 0.208 263 L C 0.963 177.875 176.870 0.070 0.000 1.085 263 L CA 0.844 55.693 54.840 0.015 0.000 0.755 263 L CB -0.765 41.286 42.059 -0.013 0.000 0.904 263 L HN 0.195 nan 8.230 nan 0.000 0.435 264 N N 0.425 119.190 118.700 0.107 0.000 2.386 264 N HA -0.070 4.671 4.740 0.001 0.000 0.273 264 N C 1.285 176.904 175.510 0.182 0.000 1.331 264 N CA 0.641 53.802 53.050 0.186 0.000 0.891 264 N CB 0.858 39.483 38.487 0.230 0.000 1.139 264 N HN 0.258 nan 8.380 nan 0.000 0.487 265 S N 2.287 118.123 115.700 0.227 0.000 2.481 265 S HA -0.085 4.385 4.470 0.001 0.000 0.231 265 S C 1.886 176.606 174.600 0.199 0.000 0.996 265 S CA 0.122 58.460 58.200 0.230 0.000 0.942 265 S CB 0.093 63.463 63.200 0.282 0.000 0.768 265 S HN 0.361 nan 8.310 nan 0.000 0.520 266 L N 2.091 123.448 121.223 0.222 0.000 2.012 266 L HA 0.034 4.375 4.340 0.001 0.000 0.210 266 L C 2.776 179.688 176.870 0.069 0.000 1.073 266 L CA 1.578 56.502 54.840 0.139 0.000 0.748 266 L CB -1.059 41.103 42.059 0.173 0.000 0.891 266 L HN 0.259 nan 8.230 nan 0.000 0.431 267 R N -0.876 119.672 120.500 0.080 0.000 2.096 267 R HA -0.198 4.142 4.340 0.001 0.000 0.240 267 R C 2.224 178.540 176.300 0.025 0.000 1.139 267 R CA 1.562 57.679 56.100 0.030 0.000 0.952 267 R CB -0.565 29.764 30.300 0.049 0.000 0.854 267 R HN 0.315 nan 8.270 nan 0.000 0.436 268 L N 0.559 121.828 121.223 0.077 0.000 2.127 268 L HA -0.181 4.160 4.340 0.001 0.000 0.211 268 L C 2.226 179.098 176.870 0.003 0.000 1.089 268 L CA 1.012 55.900 54.840 0.080 0.000 0.757 268 L CB -0.524 41.636 42.059 0.168 0.000 0.899 268 L HN 0.170 nan 8.230 nan 0.000 0.434 269 E N 0.503 120.704 120.200 0.001 0.000 2.153 269 E HA -0.151 4.199 4.350 0.001 0.000 0.194 269 E C 2.209 178.713 176.600 -0.160 0.000 0.988 269 E CA 1.373 57.747 56.400 -0.042 0.000 0.811 269 E CB -0.327 29.375 29.700 0.003 0.000 0.746 269 E HN 0.537 nan 8.360 nan 0.000 0.466 270 G N 0.567 109.251 108.800 -0.193 0.000 2.453 270 G HA2 -0.214 3.746 3.960 0.001 0.000 0.215 270 G HA3 -0.214 3.746 3.960 0.001 0.000 0.215 270 G C 1.510 176.266 174.900 -0.241 0.000 1.147 270 G CA 0.094 45.018 45.100 -0.294 0.000 0.802 270 G HN 0.225 nan 8.290 nan 0.000 0.535 271 Q N 0.354 120.062 119.800 -0.153 0.000 2.230 271 Q HA -0.054 4.287 4.340 0.001 0.000 0.202 271 Q C 2.420 178.210 176.000 -0.350 0.000 0.963 271 Q CA 1.321 57.040 55.803 -0.139 0.000 0.866 271 Q CB -0.096 28.664 28.738 0.036 0.000 0.931 271 Q HN 0.680 nan 8.270 nan 0.000 0.452 272 K N 0.446 120.653 120.400 -0.322 0.000 2.283 272 K HA -0.085 4.236 4.320 0.001 0.000 0.202 272 K C 1.824 178.138 176.600 -0.477 0.000 1.048 272 K CA 1.660 57.694 56.287 -0.422 0.000 0.948 272 K CB -0.282 32.050 32.500 -0.279 0.000 0.742 272 K HN 0.117 nan 8.250 nan 0.000 0.458 273 T N -1.624 112.687 114.554 -0.405 0.000 2.915 273 T HA 0.038 4.388 4.350 0.001 0.000 0.269 273 T C 2.179 176.630 174.700 -0.414 0.000 1.071 273 T CA 0.722 62.585 62.100 -0.394 0.000 1.132 273 T CB -0.235 68.405 68.868 -0.381 0.000 0.878 273 T HN 0.307 nan 8.240 nan 0.000 0.479 274 A N 1.932 124.468 122.820 -0.473 0.000 1.940 274 A HA 0.227 4.547 4.320 0.001 0.000 0.219 274 A C 2.817 180.121 177.584 -0.467 0.000 1.176 274 A CA 1.957 53.733 52.037 -0.434 0.000 0.631 274 A CB -1.392 17.320 19.000 -0.480 0.000 0.814 274 A HN 0.759 nan 8.150 nan 0.000 0.446 275 A N -0.067 122.269 122.820 -0.807 0.000 1.898 275 A HA -0.036 4.284 4.320 0.001 0.000 0.216 275 A C 2.095 179.328 177.584 -0.586 0.000 1.181 275 A CA 1.433 52.903 52.037 -0.944 0.000 0.620 275 A CB -0.604 17.422 19.000 -1.624 0.000 0.819 275 A HN 0.503 nan 8.150 nan 0.000 0.442 276 I N -0.537 119.778 120.570 -0.425 0.000 2.226 276 I HA -0.267 3.903 4.170 0.001 0.000 0.245 276 I C 2.513 178.494 176.117 -0.227 0.000 1.100 276 I CA 1.816 62.997 61.300 -0.199 0.000 1.374 276 I CB -0.374 37.492 38.000 -0.222 0.000 1.057 276 I HN 0.525 nan 8.210 nan 0.000 0.413 277 E N 1.687 121.722 120.200 -0.275 0.000 2.031 277 E HA -0.229 4.121 4.350 0.001 0.000 0.193 277 E C 2.326 178.787 176.600 -0.231 0.000 0.994 277 E CA 1.490 57.731 56.400 -0.265 0.000 0.800 277 E CB -0.070 29.494 29.700 -0.227 0.000 0.752 277 E HN 0.408 nan 8.360 nan 0.000 0.447 278 I N 0.517 121.020 120.570 -0.111 0.000 2.151 278 I HA -0.315 3.856 4.170 0.001 0.000 0.243 278 I C 2.293 178.431 176.117 0.034 0.000 1.080 278 I CA 0.674 61.974 61.300 -0.000 0.000 1.339 278 I CB -0.268 37.886 38.000 0.257 0.000 1.039 278 I HN 0.245 nan 8.210 nan 0.000 0.409 279 L N 0.260 121.531 121.223 0.080 0.000 1.989 279 L HA -0.289 4.052 4.340 0.001 0.000 0.211 279 L C 2.609 179.248 176.870 -0.385 0.000 1.071 279 L CA 1.902 56.771 54.840 0.049 0.000 0.749 279 L CB -1.096 41.092 42.059 0.214 0.000 0.890 279 L HN 0.302 nan 8.230 nan 0.000 0.431 280 Q N -1.094 118.232 119.800 -0.791 0.000 2.096 280 Q HA -0.256 4.084 4.340 0.001 0.000 0.204 280 Q C 2.203 177.784 176.000 -0.698 0.000 0.982 280 Q CA 1.740 56.802 55.803 -1.235 0.000 0.850 280 Q CB -0.033 28.136 28.738 -0.948 0.000 0.901 280 Q HN 0.564 nan 8.270 nan 0.000 0.422 281 Q N -0.946 118.557 119.800 -0.496 0.000 2.226 281 Q HA -0.135 4.205 4.340 0.001 0.000 0.204 281 Q C 0.707 176.377 176.000 -0.550 0.000 0.975 281 Q CA 0.784 56.299 55.803 -0.481 0.000 0.866 281 Q CB 0.118 28.559 28.738 -0.495 0.000 0.915 281 Q HN 0.329 nan 8.270 nan 0.000 0.440 282 F N 1.238 120.963 119.950 -0.375 0.000 2.663 282 F HA 0.053 4.580 4.527 0.001 0.000 0.299 282 F C -0.112 175.533 175.800 -0.259 0.000 1.143 282 F CA -0.214 57.585 58.000 -0.335 0.000 1.387 282 F CB 0.071 38.898 39.000 -0.289 0.000 1.019 282 F HN -0.005 nan 8.300 nan 0.000 0.523 283 D N -0.828 119.460 120.400 -0.186 0.000 2.689 283 D HA -0.296 4.345 4.640 0.001 0.000 0.237 283 D C -0.254 176.061 176.300 0.026 0.000 1.148 283 D CA 0.854 54.768 54.000 -0.144 0.000 0.656 283 D CB -1.595 39.192 40.800 -0.021 0.000 1.050 283 D HN 0.647 nan 8.370 nan 0.000 0.426 284 W N -1.109 120.229 121.300 0.063 0.000 4.706 284 W HA -0.260 4.400 4.660 0.000 0.000 0.366 284 W C 0.516 177.065 176.519 0.050 0.000 1.382 284 W CA 0.183 57.568 57.345 0.066 0.000 0.832 284 W CB -2.340 27.153 29.460 0.056 0.000 2.504 284 W HN 0.235 nan 8.180 nan 0.000 1.403 285 Q N 0.094 119.994 119.800 0.167 0.000 2.322 285 Q HA 0.515 4.856 4.340 0.001 0.000 0.265 285 Q C -0.024 175.955 176.000 -0.035 0.000 0.985 285 Q CA -0.960 54.874 55.803 0.052 0.000 0.849 285 Q CB 2.421 31.147 28.738 -0.020 0.000 1.274 285 Q HN -0.059 nan 8.270 nan 0.000 0.449 286 V N 5.382 125.265 119.914 -0.052 0.000 2.470 286 V HA 0.181 4.301 4.120 0.001 0.000 0.276 286 V C -1.664 174.279 176.094 -0.252 0.000 1.040 286 V CA -1.218 61.017 62.300 -0.108 0.000 1.008 286 V CB 0.155 31.926 31.823 -0.086 0.000 0.990 286 V HN 0.682 nan 8.190 nan 0.000 0.477 287 P HA 0.186 nan 4.420 nan 0.000 0.272 287 P C 0.180 177.309 177.300 -0.285 0.000 1.230 287 P CA -0.287 62.598 63.100 -0.357 0.000 0.788 287 P CB 1.186 32.725 31.700 -0.269 0.000 0.949 288 D N 0.061 120.326 120.400 -0.224 0.000 2.123 288 D HA -0.050 4.590 4.640 0.001 0.000 0.200 288 D C 0.061 176.003 176.300 -0.595 0.000 0.976 288 D CA 1.655 55.439 54.000 -0.360 0.000 0.831 288 D CB 0.054 40.748 40.800 -0.178 0.000 0.974 288 D HN 0.446 nan 8.370 nan 0.000 0.469 289 W N -0.104 121.158 121.300 -0.063 0.000 2.915 289 W HA 0.483 5.143 4.660 0.001 0.000 0.337 289 W C -1.042 175.463 176.519 -0.023 0.000 1.102 289 W CA -0.767 56.553 57.345 -0.040 0.000 1.224 289 W CB 1.741 31.199 29.460 -0.004 0.000 1.416 289 W HN -0.464 nan 8.180 nan 0.000 0.503 290 V N 4.466 124.504 119.914 0.206 0.000 2.525 290 V HA 0.428 4.549 4.120 0.001 0.000 0.299 290 V C -0.672 175.476 176.094 0.090 0.000 1.034 290 V CA -0.866 61.516 62.300 0.137 0.000 0.863 290 V CB 1.299 33.201 31.823 0.132 0.000 0.999 290 V HN 0.324 nan 8.190 nan 0.000 0.423 291 I N 5.421 126.016 120.570 0.041 0.000 2.354 291 I HA 0.567 4.737 4.170 0.001 0.000 0.292 291 I C -0.254 175.791 176.117 -0.120 0.000 0.989 291 I CA -0.241 61.054 61.300 -0.010 0.000 1.188 291 I CB 1.877 39.885 38.000 0.014 0.000 1.342 291 I HN 0.330 nan 8.210 nan 0.000 0.457 292 V N 7.758 127.582 119.914 -0.149 0.000 2.588 292 V HA 0.471 4.592 4.120 0.001 0.000 0.304 292 V C -2.422 173.600 176.094 -0.119 0.000 1.042 292 V CA -2.026 60.135 62.300 -0.231 0.000 0.877 292 V CB 1.880 33.489 31.823 -0.357 0.000 0.996 292 V HN 0.513 nan 8.190 nan 0.000 0.425 293 P HA 0.260 nan 4.420 nan 0.000 0.267 293 P C 0.071 177.352 177.300 -0.031 0.000 1.209 293 P CA 0.316 63.386 63.100 -0.051 0.000 0.763 293 P CB 0.612 32.291 31.700 -0.034 0.000 0.816 294 G N 2.343 111.152 108.800 0.015 0.000 2.588 294 G HA2 0.485 4.445 3.960 0.001 0.000 0.312 294 G HA3 0.485 4.445 3.960 0.001 0.000 0.312 294 G C 0.649 175.588 174.900 0.064 0.000 1.257 294 G CA -0.469 44.661 45.100 0.049 0.000 0.994 294 G HN 0.525 nan 8.290 nan 0.000 0.498 295 G N 1.509 110.352 108.800 0.071 0.000 2.600 295 G HA2 -0.019 3.941 3.960 0.001 0.000 0.225 295 G HA3 -0.019 3.941 3.960 0.001 0.000 0.225 295 G C 1.118 176.066 174.900 0.079 0.000 1.623 295 G CA -0.028 45.114 45.100 0.070 0.000 0.903 295 G HN 0.487 nan 8.290 nan 0.000 0.574 296 N N 0.338 119.090 118.700 0.088 0.000 2.398 296 N HA 0.064 4.805 4.740 0.001 0.000 0.188 296 N C 0.532 176.091 175.510 0.082 0.000 1.122 296 N CA 0.065 53.165 53.050 0.083 0.000 0.866 296 N CB 0.605 39.142 38.487 0.082 0.000 0.970 296 N HN 0.111 nan 8.380 nan 0.000 0.462 297 L N -1.495 119.788 121.223 0.101 0.000 5.081 297 L HA -0.218 4.123 4.340 0.001 0.000 0.423 297 L C 1.665 178.617 176.870 0.138 0.000 1.019 297 L CA 1.116 56.020 54.840 0.108 0.000 1.223 297 L CB -2.008 40.100 42.059 0.082 0.000 1.940 297 L HN 0.227 nan 8.230 nan 0.000 0.675 298 G N -0.870 108.020 108.800 0.150 0.000 2.402 298 G HA2 -0.267 3.694 3.960 0.001 0.000 0.216 298 G HA3 -0.267 3.694 3.960 0.001 0.000 0.216 298 G C 1.243 176.309 174.900 0.276 0.000 1.162 298 G CA 0.882 46.101 45.100 0.197 0.000 0.777 298 G HN 0.604 nan 8.290 nan 0.000 0.539 299 N N 0.089 118.949 118.700 0.267 0.000 2.069 299 N HA -0.114 4.626 4.740 0.001 0.000 0.191 299 N C 2.121 177.839 175.510 0.346 0.000 1.031 299 N CA 0.790 54.009 53.050 0.281 0.000 0.852 299 N CB -0.128 38.430 38.487 0.118 0.000 1.018 299 N HN 0.142 nan 8.380 nan 0.000 0.423 300 I N 0.968 121.689 120.570 0.252 0.000 2.264 300 I HA -0.283 3.888 4.170 0.001 0.000 0.248 300 I C 2.009 178.342 176.117 0.360 0.000 1.111 300 I CA 1.313 62.763 61.300 0.250 0.000 1.382 300 I CB -0.831 37.263 38.000 0.156 0.000 1.060 300 I HN 0.271 nan 8.210 nan 0.000 0.418 301 Y N 1.810 122.243 120.300 0.222 0.000 2.163 301 Y HA -0.180 4.371 4.550 0.001 0.000 0.288 301 Y C 2.522 178.592 175.900 0.283 0.000 1.136 301 Y CA 1.873 60.121 58.100 0.247 0.000 1.147 301 Y CB -0.580 37.974 38.460 0.156 0.000 0.987 301 Y HN 0.175 nan 8.280 nan 0.000 0.509 302 A N -0.013 122.903 122.820 0.160 0.000 1.917 302 A HA -0.227 4.094 4.320 0.001 0.000 0.219 302 A C 2.139 179.653 177.584 -0.118 0.000 1.182 302 A CA 1.940 53.959 52.037 -0.030 0.000 0.633 302 A CB -1.549 17.464 19.000 0.021 0.000 0.819 302 A HN 0.542 nan 8.150 nan 0.000 0.448 303 F N -1.762 118.166 119.950 -0.036 0.000 2.075 303 F HA -0.186 4.342 4.527 0.001 0.000 0.297 303 F C 2.276 178.093 175.800 0.028 0.000 1.113 303 F CA 2.060 60.016 58.000 -0.073 0.000 1.218 303 F CB -0.786 38.268 39.000 0.091 0.000 0.984 303 F HN 0.446 nan 8.300 nan 0.000 0.472 304 Y N 0.890 121.345 120.300 0.258 0.000 2.165 304 Y HA -0.287 4.263 4.550 0.001 0.000 0.286 304 Y C 2.324 178.259 175.900 0.059 0.000 1.155 304 Y CA 1.889 60.123 58.100 0.224 0.000 1.164 304 Y CB -0.425 38.121 38.460 0.143 0.000 0.978 304 Y HN -0.116 nan 8.280 nan 0.000 0.513 305 K N 0.135 120.368 120.400 -0.278 0.000 2.097 305 K HA 0.018 4.339 4.320 0.001 0.000 0.205 305 K C 2.345 178.753 176.600 -0.320 0.000 1.050 305 K CA 1.292 57.342 56.287 -0.395 0.000 0.938 305 K CB -0.931 31.337 32.500 -0.387 0.000 0.718 305 K HN 0.454 nan 8.250 nan 0.000 0.442 306 G N -0.529 108.085 108.800 -0.310 0.000 2.402 306 G HA2 -0.204 3.756 3.960 0.001 0.000 0.216 306 G HA3 -0.204 3.756 3.960 0.001 0.000 0.216 306 G C 1.248 176.016 174.900 -0.220 0.000 1.162 306 G CA 0.622 45.534 45.100 -0.314 0.000 0.777 306 G HN 0.219 nan 8.290 nan 0.000 0.539 307 F N 1.043 120.924 119.950 -0.115 0.000 2.134 307 F HA 0.083 4.610 4.527 0.001 0.000 0.299 307 F C 2.535 178.237 175.800 -0.162 0.000 1.097 307 F CA 1.367 59.321 58.000 -0.077 0.000 1.264 307 F CB -0.343 38.636 39.000 -0.035 0.000 1.001 307 F HN 0.049 nan 8.300 nan 0.000 0.479 308 K N 0.266 120.554 120.400 -0.185 0.000 2.097 308 K HA -0.151 4.170 4.320 0.001 0.000 0.205 308 K C 2.154 178.637 176.600 -0.195 0.000 1.050 308 K CA 1.164 57.276 56.287 -0.293 0.000 0.938 308 K CB -0.413 31.701 32.500 -0.644 0.000 0.718 308 K HN 0.225 nan 8.250 nan 0.000 0.442 309 M N -0.520 118.946 119.600 -0.224 0.000 2.175 309 M HA -0.196 4.284 4.480 0.001 0.000 0.264 309 M C 1.744 177.879 176.300 -0.275 0.000 1.063 309 M CA 1.527 56.626 55.300 -0.334 0.000 1.119 309 M CB -0.091 32.232 32.600 -0.462 0.000 1.377 309 M HN 0.261 nan 8.290 nan 0.000 0.415 310 C N 0.067 119.377 119.300 0.017 0.000 2.440 310 C HA -0.127 4.333 4.460 0.001 0.000 0.278 310 C C 2.777 177.826 174.990 0.098 0.000 1.295 310 C CA 0.867 60.015 59.018 0.216 0.000 1.738 310 C CB -1.079 26.872 27.740 0.351 0.000 1.987 310 C HN 0.608 nan 8.230 nan 0.000 0.492 311 Q N 1.286 121.115 119.800 0.047 0.000 2.046 311 Q HA -0.178 4.162 4.340 0.001 0.000 0.200 311 Q C 1.960 177.948 176.000 -0.021 0.000 0.975 311 Q CA 1.736 57.551 55.803 0.019 0.000 0.836 311 Q CB -0.307 28.436 28.738 0.008 0.000 0.896 311 Q HN 0.658 nan 8.270 nan 0.000 0.428 312 E N 0.302 120.459 120.200 -0.072 0.000 2.058 312 E HA -0.121 4.229 4.350 0.001 0.000 0.194 312 E C 1.928 178.476 176.600 -0.086 0.000 0.997 312 E CA 1.383 57.727 56.400 -0.093 0.000 0.801 312 E CB -0.104 29.504 29.700 -0.153 0.000 0.746 312 E HN 0.351 nan 8.360 nan 0.000 0.450 313 L N -1.420 119.726 121.223 -0.129 0.000 2.591 313 L HA 0.226 4.566 4.340 0.001 0.000 0.228 313 L C 1.078 177.983 176.870 0.059 0.000 1.133 313 L CA 0.320 55.116 54.840 -0.073 0.000 0.880 313 L CB 0.142 42.049 42.059 -0.253 0.000 1.033 313 L HN 0.386 nan 8.230 nan 0.000 0.450 314 G N -0.017 108.808 108.800 0.041 0.000 2.140 314 G HA2 -0.234 3.727 3.960 0.001 0.000 0.211 314 G HA3 -0.234 3.727 3.960 0.001 0.000 0.211 314 G C 0.634 175.557 174.900 0.038 0.000 1.013 314 G CA 0.118 45.247 45.100 0.049 0.000 0.705 314 G HN 0.269 nan 8.290 nan 0.000 0.508 315 L N -0.981 120.259 121.223 0.029 0.000 2.127 315 L HA 0.258 4.598 4.340 0.001 0.000 0.203 315 L C 1.564 178.406 176.870 -0.046 0.000 1.080 315 L CA 1.546 56.325 54.840 -0.102 0.000 0.768 315 L CB -0.551 41.391 42.059 -0.194 0.000 0.924 315 L HN 0.480 nan 8.230 nan 0.000 0.444 316 V N -4.102 115.843 119.914 0.051 0.000 3.141 316 V HA 0.358 4.479 4.120 0.001 0.000 0.312 316 V C -0.154 175.969 176.094 0.048 0.000 1.157 316 V CA -0.661 61.688 62.300 0.081 0.000 1.041 316 V CB 1.819 33.734 31.823 0.154 0.000 1.071 316 V HN 0.173 nan 8.190 nan 0.000 0.441 317 D N -0.026 120.395 120.400 0.035 0.000 2.389 317 D HA 0.099 4.739 4.640 0.001 0.000 0.206 317 D C 0.626 176.928 176.300 0.003 0.000 1.055 317 D CA 0.123 54.132 54.000 0.015 0.000 0.856 317 D CB 0.530 41.335 40.800 0.008 0.000 0.957 317 D HN 0.826 nan 8.370 nan 0.000 0.509 318 R N 0.352 120.853 120.500 0.002 0.000 2.817 318 R HA 0.688 5.028 4.340 0.001 0.000 0.268 318 R C -0.628 175.653 176.300 -0.031 0.000 1.027 318 R CA -1.042 55.043 56.100 -0.025 0.000 0.928 318 R CB 1.324 31.593 30.300 -0.051 0.000 1.228 318 R HN 0.047 nan 8.270 nan 0.000 0.469 319 I N -2.009 118.521 120.570 -0.066 0.000 2.846 319 I HA 0.642 4.812 4.170 0.001 0.000 0.307 319 I C -2.653 173.325 176.117 -0.232 0.000 1.053 319 I CA -2.988 58.244 61.300 -0.113 0.000 1.050 319 I CB 2.106 40.084 38.000 -0.038 0.000 1.239 319 I HN 0.405 nan 8.210 nan 0.000 0.439 320 P HA 0.380 nan 4.420 nan 0.000 0.276 320 P C -1.171 175.921 177.300 -0.347 0.000 1.244 320 P CA -0.542 62.279 63.100 -0.464 0.000 0.801 320 P CB 0.554 31.843 31.700 -0.684 0.000 1.006 321 R N 0.946 121.181 120.500 -0.441 0.000 2.441 321 R HA 0.519 4.859 4.340 0.001 0.000 0.284 321 R C 0.001 176.236 176.300 -0.109 0.000 1.070 321 R CA -0.419 55.464 56.100 -0.363 0.000 1.047 321 R CB 0.413 30.234 30.300 -0.799 0.000 1.016 321 R HN 0.460 nan 8.270 nan 0.000 0.477 322 M N 1.830 121.475 119.600 0.075 0.000 2.508 322 M HA 0.348 4.828 4.480 0.001 0.000 0.327 322 M C -1.271 175.156 176.300 0.212 0.000 1.160 322 M CA -0.639 54.757 55.300 0.160 0.000 0.980 322 M CB 2.253 34.949 32.600 0.159 0.000 1.693 322 M HN 0.235 nan 8.290 nan 0.000 0.452 323 V N 2.372 122.389 119.914 0.173 0.000 2.540 323 V HA 0.451 4.571 4.120 0.001 0.000 0.302 323 V C -1.053 175.061 176.094 0.035 0.000 1.035 323 V CA -0.955 61.400 62.300 0.091 0.000 0.873 323 V CB 1.631 33.492 31.823 0.062 0.000 0.992 323 V HN 0.959 nan 8.190 nan 0.000 0.428 324 C N 5.282 124.593 119.300 0.018 0.000 2.295 324 C HA 0.873 5.333 4.460 0.001 0.000 0.331 324 C C 0.553 175.552 174.990 0.016 0.000 1.280 324 C CA -0.281 58.751 59.018 0.022 0.000 1.746 324 C CB -0.140 27.636 27.740 0.059 0.000 2.328 324 C HN 1.062 nan 8.230 nan 0.000 0.521 325 A N 6.141 128.964 122.820 0.005 0.000 2.318 325 A HA 0.766 5.087 4.320 0.001 0.000 0.324 325 A C -0.757 176.831 177.584 0.007 0.000 1.170 325 A CA -0.332 51.704 52.037 -0.001 0.000 0.810 325 A CB 0.812 19.801 19.000 -0.018 0.000 1.198 325 A HN 0.926 nan 8.150 nan 0.000 0.484 326 Q N 0.380 120.180 119.800 -0.001 0.000 2.451 326 Q HA 0.648 4.988 4.340 0.001 0.000 0.281 326 Q C -0.520 175.458 176.000 -0.036 0.000 1.099 326 Q CA -0.987 54.820 55.803 0.007 0.000 0.806 326 Q CB 2.515 31.285 28.738 0.052 0.000 1.419 326 Q HN 0.929 nan 8.270 nan 0.000 0.427 327 A N 0.550 123.358 122.820 -0.020 0.000 2.401 327 A HA 0.507 4.827 4.320 0.001 0.000 0.259 327 A C 0.902 178.457 177.584 -0.047 0.000 1.103 327 A CA 0.436 52.448 52.037 -0.041 0.000 0.789 327 A CB 0.525 19.510 19.000 -0.026 0.000 1.035 327 A HN 0.900 nan 8.150 nan 0.000 0.491 328 A N 2.198 124.974 122.820 -0.074 0.000 2.024 328 A HA -0.147 4.174 4.320 0.001 0.000 0.220 328 A C 1.493 179.062 177.584 -0.025 0.000 1.164 328 A CA 1.692 53.686 52.037 -0.072 0.000 0.643 328 A CB -0.506 18.444 19.000 -0.084 0.000 0.806 328 A HN 0.819 nan 8.150 nan 0.000 0.451 329 N N -0.037 118.649 118.700 -0.023 0.000 2.521 329 N HA 0.148 4.888 4.740 0.001 0.000 0.188 329 N C 0.304 175.816 175.510 0.003 0.000 1.146 329 N CA 1.020 54.062 53.050 -0.014 0.000 0.893 329 N CB 0.063 38.532 38.487 -0.030 0.000 0.975 329 N HN 0.469 nan 8.380 nan 0.000 0.451 330 A N 0.992 123.821 122.820 0.014 0.000 3.399 330 A HA 0.199 4.520 4.320 0.001 0.000 0.262 330 A C -0.357 177.264 177.584 0.062 0.000 1.145 330 A CA -0.853 51.206 52.037 0.037 0.000 0.916 330 A CB -0.957 18.062 19.000 0.030 0.000 1.360 330 A HN 0.362 nan 8.150 nan 0.000 0.628 331 N N 0.359 119.111 118.700 0.085 0.000 2.699 331 N HA 0.265 5.005 4.740 0.001 0.000 0.317 331 N C -1.625 174.002 175.510 0.195 0.000 1.661 331 N CA -1.464 51.672 53.050 0.144 0.000 0.979 331 N CB 0.957 39.532 38.487 0.146 0.000 1.329 331 N HN 0.206 nan 8.380 nan 0.000 0.497 332 P HA -0.152 nan 4.420 nan 0.000 0.217 332 P C 1.433 178.877 177.300 0.239 0.000 1.151 332 P CA 0.446 63.654 63.100 0.179 0.000 0.828 332 P CB 0.411 32.202 31.700 0.150 0.000 0.788 333 L N -1.161 120.209 121.223 0.245 0.000 2.056 333 L HA -0.121 4.219 4.340 0.001 0.000 0.207 333 L C 2.769 179.824 176.870 0.309 0.000 1.078 333 L CA 1.571 56.589 54.840 0.296 0.000 0.749 333 L CB -1.600 40.607 42.059 0.246 0.000 0.901 333 L HN -0.179 nan 8.230 nan 0.000 0.433 334 Y N -0.176 120.220 120.300 0.159 0.000 2.128 334 Y HA -0.273 4.278 4.550 0.001 0.000 0.284 334 Y C 2.158 178.146 175.900 0.146 0.000 1.154 334 Y CA 2.094 60.278 58.100 0.141 0.000 1.149 334 Y CB -0.345 38.170 38.460 0.091 0.000 0.976 334 Y HN 0.176 nan 8.280 nan 0.000 0.505 335 L N -0.853 120.435 121.223 0.109 0.000 2.201 335 L HA -0.230 4.111 4.340 0.001 0.000 0.212 335 L C 2.614 179.508 176.870 0.040 0.000 1.105 335 L CA 1.604 56.450 54.840 0.011 0.000 0.775 335 L CB -0.798 41.333 42.059 0.121 0.000 0.913 335 L HN 0.428 nan 8.230 nan 0.000 0.440 336 H N -0.811 118.286 119.070 0.045 0.000 2.333 336 H HA -0.228 4.328 4.556 0.001 0.000 0.302 336 H C 2.336 177.623 175.328 -0.068 0.000 1.075 336 H CA 1.793 57.896 56.048 0.093 0.000 1.348 336 H CB 0.122 30.032 29.762 0.248 0.000 1.393 336 H HN 0.296 nan 8.280 nan 0.000 0.509 337 Y N 1.950 122.026 120.300 -0.374 0.000 2.145 337 Y HA -0.163 4.388 4.550 0.001 0.000 0.286 337 Y C 2.258 177.720 175.900 -0.731 0.000 1.145 337 Y CA 1.498 59.081 58.100 -0.861 0.000 1.148 337 Y CB -0.196 37.910 38.460 -0.589 0.000 0.981 337 Y HN -0.040 nan 8.280 nan 0.000 0.507 338 K N 0.113 120.078 120.400 -0.724 0.000 2.362 338 K HA -0.020 4.300 4.320 0.001 0.000 0.200 338 K C 1.757 178.063 176.600 -0.490 0.000 1.046 338 K CA 1.066 56.930 56.287 -0.706 0.000 0.952 338 K CB -0.215 31.928 32.500 -0.594 0.000 0.753 338 K HN 0.285 nan 8.250 nan 0.000 0.466 339 S N -0.288 115.184 115.700 -0.379 0.000 2.631 339 S HA 0.112 4.582 4.470 0.001 0.000 0.217 339 S C 0.925 175.384 174.600 -0.235 0.000 0.958 339 S CA 0.547 58.614 58.200 -0.222 0.000 0.920 339 S CB 0.400 63.556 63.200 -0.075 0.000 0.776 339 S HN 0.516 nan 8.310 nan 0.000 0.517 340 G N 1.013 109.564 108.800 -0.415 0.000 2.171 340 G HA2 -0.229 3.731 3.960 0.001 0.000 0.238 340 G HA3 -0.229 3.731 3.960 0.001 0.000 0.238 340 G C 0.149 174.968 174.900 -0.135 0.000 1.039 340 G CA -0.221 44.686 45.100 -0.322 0.000 0.759 340 G HN 0.427 nan 8.290 nan 0.000 0.501 341 W N -2.026 119.068 121.300 -0.344 0.000 3.904 341 W HA -0.210 4.450 4.660 0.001 0.000 0.312 341 W C 0.687 177.076 176.519 -0.218 0.000 1.159 341 W CA 1.582 58.585 57.345 -0.570 0.000 0.704 341 W CB -1.576 27.694 29.460 -0.316 0.000 2.209 341 W HN 0.533 nan 8.180 nan 0.000 1.468 342 K N 0.600 121.075 120.400 0.126 0.000 2.110 342 K HA 0.327 4.648 4.320 0.001 0.000 0.263 342 K C 0.249 177.071 176.600 0.370 0.000 0.975 342 K CA -0.235 56.205 56.287 0.254 0.000 0.895 342 K CB 0.590 33.172 32.500 0.136 0.000 1.060 342 K HN -0.014 nan 8.250 nan 0.000 0.448 343 D N 2.098 122.732 120.400 0.390 0.000 4.353 343 D HA -0.201 4.439 4.640 0.001 0.000 0.242 343 D C -1.341 175.184 176.300 0.376 0.000 1.063 343 D CA 0.507 54.683 54.000 0.293 0.000 1.224 343 D CB -0.736 40.157 40.800 0.154 0.000 0.831 343 D HN 0.406 nan 8.370 nan 0.000 0.405 344 F N 0.872 120.799 119.950 -0.039 0.000 2.450 344 F HA 0.783 5.311 4.527 0.001 0.000 0.332 344 F C -0.020 175.730 175.800 -0.084 0.000 1.093 344 F CA -1.079 56.792 58.000 -0.215 0.000 1.003 344 F CB 1.599 40.159 39.000 -0.734 0.000 1.151 344 F HN 0.114 nan 8.300 nan 0.000 0.474 345 K N 4.109 124.427 120.400 -0.137 0.000 2.513 345 K HA 0.383 4.703 4.320 0.001 0.000 0.251 345 K C -2.775 173.783 176.600 -0.070 0.000 0.939 345 K CA -2.251 53.919 56.287 -0.195 0.000 0.793 345 K CB 1.983 34.418 32.500 -0.108 0.000 1.241 345 K HN 0.441 nan 8.250 nan 0.000 0.431 346 P HA -0.092 nan 4.420 nan 0.000 0.257 346 P C -0.345 176.958 177.300 0.005 0.000 1.269 346 P CA 0.125 63.219 63.100 -0.011 0.000 1.122 346 P CB 0.054 31.738 31.700 -0.026 0.000 1.285 347 M N 2.886 122.505 119.600 0.032 0.000 2.243 347 M HA 0.114 4.594 4.480 0.001 0.000 0.341 347 M C -0.182 176.139 176.300 0.035 0.000 1.130 347 M CA 0.347 55.669 55.300 0.036 0.000 1.162 347 M CB 0.909 33.544 32.600 0.057 0.000 1.497 347 M HN 0.140 nan 8.290 nan 0.000 0.456 348 T N 3.881 118.451 114.554 0.027 0.000 2.729 348 T HA 0.586 4.937 4.350 0.001 0.000 0.296 348 T C -0.239 174.476 174.700 0.025 0.000 0.928 348 T CA -0.460 61.655 62.100 0.025 0.000 1.045 348 T CB -0.227 68.651 68.868 0.018 0.000 0.902 348 T HN 0.740 nan 8.240 nan 0.000 0.500 349 A N 4.481 127.317 122.820 0.026 0.000 2.316 349 A HA 0.661 4.982 4.320 0.001 0.000 0.284 349 A C 0.480 178.066 177.584 0.003 0.000 1.115 349 A CA -0.577 51.471 52.037 0.018 0.000 0.812 349 A CB 0.863 19.875 19.000 0.021 0.000 1.064 349 A HN 0.816 nan 8.150 nan 0.000 0.489 350 S N -0.336 115.358 115.700 -0.010 0.000 2.638 350 S HA 0.591 5.061 4.470 0.001 0.000 0.302 350 S C 0.066 174.637 174.600 -0.050 0.000 1.096 350 S CA -0.427 57.757 58.200 -0.026 0.000 0.953 350 S CB 1.003 64.187 63.200 -0.026 0.000 1.107 350 S HN 0.802 nan 8.310 nan 0.000 0.503 351 T N 3.626 118.137 114.554 -0.071 0.000 2.800 351 T HA 0.224 4.575 4.350 0.001 0.000 0.283 351 T C -0.227 174.382 174.700 -0.151 0.000 0.999 351 T CA 0.577 62.607 62.100 -0.116 0.000 1.176 351 T CB -0.295 68.487 68.868 -0.142 0.000 0.973 351 T HN 0.622 nan 8.240 nan 0.000 0.519 352 T N 2.820 117.282 114.554 -0.154 0.000 2.907 352 T HA 0.421 4.772 4.350 0.001 0.000 0.292 352 T C 0.803 175.384 174.700 -0.197 0.000 1.043 352 T CA -0.807 61.203 62.100 -0.149 0.000 1.003 352 T CB 1.415 70.241 68.868 -0.070 0.000 1.084 352 T HN 0.418 nan 8.240 nan 0.000 0.483 353 F N 1.027 120.910 119.950 -0.112 0.000 2.234 353 F HA 0.113 4.641 4.527 0.001 0.000 0.299 353 F C 2.145 177.779 175.800 -0.278 0.000 1.087 353 F CA 0.517 58.427 58.000 -0.150 0.000 1.340 353 F CB 0.042 38.946 39.000 -0.160 0.000 1.031 353 F HN 0.612 nan 8.300 nan 0.000 0.500 354 A N 0.309 123.031 122.820 -0.163 0.000 3.037 354 A HA 0.195 4.516 4.320 0.001 0.000 0.272 354 A C 1.548 179.109 177.584 -0.039 0.000 1.723 354 A CA 0.398 52.180 52.037 -0.424 0.000 1.413 354 A CB -0.854 17.948 19.000 -0.329 0.000 1.112 354 A HN 0.349 nan 8.150 nan 0.000 0.606 355 S N 1.052 116.771 115.700 0.032 0.000 2.399 355 S HA -0.106 4.364 4.470 0.001 0.000 0.231 355 S C 1.834 176.507 174.600 0.121 0.000 1.022 355 S CA 1.127 59.380 58.200 0.087 0.000 0.983 355 S CB -0.308 62.958 63.200 0.109 0.000 0.803 355 S HN 1.035 nan 8.310 nan 0.000 0.480 356 A N 0.874 123.853 122.820 0.265 0.000 2.119 356 A HA 0.332 4.652 4.320 0.001 0.000 0.217 356 A C 2.056 179.647 177.584 0.011 0.000 1.153 356 A CA 0.793 52.864 52.037 0.056 0.000 0.692 356 A CB -0.559 18.385 19.000 -0.093 0.000 0.799 356 A HN 0.610 nan 8.150 nan 0.000 0.458 357 I N -0.153 120.479 120.570 0.103 0.000 3.783 357 I HA -0.044 4.126 4.170 0.001 0.000 0.310 357 I C 0.794 176.943 176.117 0.052 0.000 1.274 357 I CA 0.121 61.471 61.300 0.084 0.000 1.294 357 I CB -0.005 38.090 38.000 0.158 0.000 1.051 357 I HN 0.547 nan 8.210 nan 0.000 0.435 358 Q N 2.439 122.257 119.800 0.031 0.000 2.641 358 Q HA 0.189 4.530 4.340 0.001 0.000 0.225 358 Q C -0.891 175.111 176.000 0.003 0.000 1.309 358 Q CA 0.133 55.940 55.803 0.007 0.000 0.935 358 Q CB 0.071 28.798 28.738 -0.018 0.000 1.557 358 Q HN 0.173 nan 8.270 nan 0.000 0.563 359 I N 2.809 123.397 120.570 0.030 0.000 2.382 359 I HA 0.258 4.428 4.170 0.001 0.000 0.286 359 I C 1.112 177.264 176.117 0.059 0.000 1.002 359 I CA -0.531 60.797 61.300 0.046 0.000 1.135 359 I CB 0.984 39.020 38.000 0.060 0.000 1.288 359 I HN 0.738 nan 8.210 nan 0.000 0.448 360 G N 4.937 113.773 108.800 0.061 0.000 2.454 360 G HA2 -0.139 3.822 3.960 0.001 0.000 0.214 360 G HA3 -0.139 3.822 3.960 0.001 0.000 0.214 360 G C 0.311 175.252 174.900 0.068 0.000 1.217 360 G CA 0.459 45.595 45.100 0.060 0.000 0.799 360 G HN 0.558 nan 8.290 nan 0.000 0.538 361 D N 1.293 121.735 120.400 0.070 0.000 2.473 361 D HA 0.374 5.015 4.640 0.001 0.000 0.226 361 D C -2.392 173.954 176.300 0.078 0.000 1.089 361 D CA -2.187 51.855 54.000 0.071 0.000 0.883 361 D CB 1.373 42.205 40.800 0.053 0.000 1.029 361 D HN 0.061 nan 8.370 nan 0.000 0.517 362 P HA 0.109 nan 4.420 nan 0.000 0.282 362 P C -0.033 177.298 177.300 0.052 0.000 1.274 362 P CA -0.473 62.671 63.100 0.074 0.000 0.770 362 P CB 1.032 32.780 31.700 0.081 0.000 0.867 363 V N 2.852 122.788 119.914 0.036 0.000 2.999 363 V HA -0.029 4.091 4.120 0.001 0.000 0.307 363 V C 1.303 177.377 176.094 -0.033 0.000 1.084 363 V CA 0.692 62.992 62.300 0.000 0.000 1.155 363 V CB -0.329 31.495 31.823 0.002 0.000 0.975 363 V HN 0.839 nan 8.190 nan 0.000 0.490 364 S N 0.572 116.205 115.700 -0.111 0.000 3.228 364 S HA -0.228 4.243 4.470 0.001 0.000 0.282 364 S C 0.910 175.388 174.600 -0.203 0.000 1.286 364 S CA 0.848 58.922 58.200 -0.211 0.000 1.066 364 S CB -1.635 61.490 63.200 -0.126 0.000 1.277 364 S HN 0.943 nan 8.310 nan 0.000 0.661 365 I N 2.733 123.224 120.570 -0.130 0.000 2.127 365 I HA -0.196 3.974 4.170 0.001 0.000 0.241 365 I C 1.879 177.873 176.117 -0.204 0.000 1.075 365 I CA 2.268 63.503 61.300 -0.107 0.000 1.334 365 I CB -0.230 37.743 38.000 -0.045 0.000 1.040 365 I HN 0.248 nan 8.210 nan 0.000 0.405 366 D N 0.383 120.611 120.400 -0.286 0.000 2.144 366 D HA -0.178 4.462 4.640 0.001 0.000 0.199 366 D C 2.355 178.452 176.300 -0.338 0.000 0.984 366 D CA 1.178 55.021 54.000 -0.262 0.000 0.834 366 D CB -0.254 40.453 40.800 -0.156 0.000 0.955 366 D HN 0.437 nan 8.370 nan 0.000 0.465 367 R N 0.757 120.769 120.500 -0.814 0.000 2.080 367 R HA -0.087 4.254 4.340 0.001 0.000 0.236 367 R C 2.391 178.569 176.300 -0.204 0.000 1.137 367 R CA 1.443 56.955 56.100 -0.980 0.000 0.943 367 R CB -0.322 29.156 30.300 -1.369 0.000 0.846 367 R HN 0.098 nan 8.270 nan 0.000 0.431 368 A N 0.605 123.371 122.820 -0.091 0.000 1.877 368 A HA -0.123 4.198 4.320 0.001 0.000 0.216 368 A C 2.382 180.012 177.584 0.077 0.000 1.186 368 A CA 1.536 53.630 52.037 0.096 0.000 0.620 368 A CB -0.653 18.405 19.000 0.097 0.000 0.822 368 A HN 0.132 nan 8.150 nan 0.000 0.443 369 V N -1.299 118.629 119.914 0.024 0.000 2.332 369 V HA -0.305 3.815 4.120 0.001 0.000 0.248 369 V C 2.340 178.290 176.094 -0.240 0.000 1.055 369 V CA 2.206 64.449 62.300 -0.095 0.000 1.038 369 V CB -1.093 30.696 31.823 -0.057 0.000 0.651 369 V HN 0.705 nan 8.190 nan 0.000 0.450 370 Y N 1.399 121.612 120.300 -0.145 0.000 2.097 370 Y HA -0.249 4.301 4.550 0.001 0.000 0.282 370 Y C 2.433 178.194 175.900 -0.231 0.000 1.152 370 Y CA 1.864 59.899 58.100 -0.108 0.000 1.136 370 Y CB -0.604 37.963 38.460 0.179 0.000 0.975 370 Y HN 0.144 nan 8.280 nan 0.000 0.498 371 A N 0.154 122.941 122.820 -0.054 0.000 1.902 371 A HA -0.174 4.146 4.320 0.001 0.000 0.217 371 A C 2.250 179.523 177.584 -0.519 0.000 1.181 371 A CA 1.947 53.675 52.037 -0.515 0.000 0.623 371 A CB -1.180 17.812 19.000 -0.014 0.000 0.818 371 A HN 0.570 nan 8.150 nan 0.000 0.443 372 L N -0.984 120.098 121.223 -0.234 0.000 2.141 372 L HA -0.140 4.200 4.340 0.001 0.000 0.209 372 L C 2.517 179.250 176.870 -0.229 0.000 1.094 372 L CA 1.383 56.168 54.840 -0.092 0.000 0.763 372 L CB -0.282 41.881 42.059 0.173 0.000 0.908 372 L HN 0.324 nan 8.230 nan 0.000 0.437 373 K N -0.367 119.669 120.400 -0.607 0.000 2.097 373 K HA -0.110 4.211 4.320 0.001 0.000 0.205 373 K C 2.147 178.521 176.600 -0.376 0.000 1.050 373 K CA 0.854 56.745 56.287 -0.659 0.000 0.938 373 K CB 0.076 32.097 32.500 -0.798 0.000 0.718 373 K HN 0.117 nan 8.250 nan 0.000 0.442 374 K N 0.381 120.497 120.400 -0.473 0.000 2.076 374 K HA -0.068 4.252 4.320 0.001 0.000 0.204 374 K C 2.264 178.784 176.600 -0.134 0.000 1.051 374 K CA 1.287 57.363 56.287 -0.351 0.000 0.949 374 K CB -0.176 32.019 32.500 -0.507 0.000 0.726 374 K HN 0.344 nan 8.250 nan 0.000 0.443 375 C N 0.866 120.092 119.300 -0.125 0.000 2.626 375 C HA 0.243 4.704 4.460 0.001 0.000 0.266 375 C C 0.620 175.606 174.990 -0.007 0.000 1.317 375 C CA -0.581 58.453 59.018 0.027 0.000 1.716 375 C CB -1.772 26.054 27.740 0.143 0.000 1.819 375 C HN 0.622 nan 8.230 nan 0.000 0.578 376 N N 0.390 119.092 118.700 0.003 0.000 2.726 376 N HA -0.125 4.616 4.740 0.001 0.000 0.253 376 N C 0.319 175.921 175.510 0.153 0.000 1.059 376 N CA 0.480 53.581 53.050 0.085 0.000 0.701 376 N CB -1.031 37.482 38.487 0.043 0.000 0.899 376 N HN 0.859 nan 8.380 nan 0.000 0.548 377 G N 0.615 109.542 108.800 0.212 0.000 2.535 377 G HA2 0.718 4.678 3.960 0.001 0.000 0.303 377 G HA3 0.718 4.678 3.960 0.001 0.000 0.303 377 G C -0.085 174.923 174.900 0.180 0.000 1.237 377 G CA -0.482 44.746 45.100 0.213 0.000 0.986 377 G HN 0.317 nan 8.290 nan 0.000 0.494 378 I N -1.029 119.533 120.570 -0.013 0.000 2.769 378 I HA 0.376 4.547 4.170 0.001 0.000 0.298 378 I C -0.831 174.980 176.117 -0.509 0.000 1.128 378 I CA -0.853 60.194 61.300 -0.421 0.000 1.031 378 I CB 2.805 40.761 38.000 -0.074 0.000 1.235 378 I HN 0.171 nan 8.210 nan 0.000 0.423 379 V N 3.575 122.924 119.914 -0.943 0.000 2.540 379 V HA 0.622 4.742 4.120 0.001 0.000 0.302 379 V C -0.690 175.441 176.094 0.062 0.000 1.035 379 V CA -0.587 61.528 62.300 -0.308 0.000 0.873 379 V CB 1.830 33.552 31.823 -0.169 0.000 0.992 379 V HN 0.690 nan 8.190 nan 0.000 0.428 380 E N 2.684 122.965 120.200 0.135 0.000 2.367 380 E HA 0.592 4.942 4.350 0.001 0.000 0.273 380 E C -0.869 175.687 176.600 -0.073 0.000 0.903 380 E CA -0.667 55.819 56.400 0.144 0.000 0.764 380 E CB 2.137 31.864 29.700 0.046 0.000 1.252 380 E HN 0.881 nan 8.360 nan 0.000 0.446 381 E N 1.456 121.399 120.200 -0.429 0.000 2.249 381 E HA 0.852 5.203 4.350 0.001 0.000 0.263 381 E C -1.230 175.212 176.600 -0.265 0.000 0.950 381 E CA -1.408 54.728 56.400 -0.439 0.000 0.827 381 E CB 1.858 31.075 29.700 -0.805 0.000 1.220 381 E HN 0.402 nan 8.360 nan 0.000 0.411 382 A N 1.222 123.933 122.820 -0.181 0.000 2.422 382 A HA 0.548 4.868 4.320 0.001 0.000 0.302 382 A C -0.161 177.360 177.584 -0.105 0.000 1.041 382 A CA -0.510 51.452 52.037 -0.126 0.000 0.708 382 A CB 1.520 20.462 19.000 -0.096 0.000 1.257 382 A HN 0.748 nan 8.150 nan 0.000 0.414 383 T N -0.926 113.575 114.554 -0.088 0.000 2.824 383 T HA 0.385 4.735 4.350 0.001 0.000 0.277 383 T C 0.896 175.573 174.700 -0.039 0.000 0.975 383 T CA 0.340 62.403 62.100 -0.061 0.000 0.966 383 T CB 0.908 69.746 68.868 -0.051 0.000 1.054 383 T HN 0.583 nan 8.240 nan 0.000 0.533 384 E N -0.095 120.101 120.200 -0.007 0.000 2.118 384 E HA -0.152 4.199 4.350 0.001 0.000 0.195 384 E C 2.006 178.634 176.600 0.047 0.000 0.992 384 E CA 1.640 58.071 56.400 0.052 0.000 0.804 384 E CB -0.108 29.641 29.700 0.081 0.000 0.741 384 E HN 0.836 nan 8.360 nan 0.000 0.458 385 E N -0.098 120.110 120.200 0.013 0.000 2.076 385 E HA -0.171 4.180 4.350 0.001 0.000 0.190 385 E C 1.793 178.369 176.600 -0.040 0.000 0.979 385 E CA 0.839 57.241 56.400 0.003 0.000 0.807 385 E CB 0.017 29.712 29.700 -0.008 0.000 0.761 385 E HN 0.295 nan 8.360 nan 0.000 0.454 386 E N 0.364 120.525 120.200 -0.065 0.000 2.110 386 E HA -0.213 4.137 4.350 0.001 0.000 0.193 386 E C 2.251 178.768 176.600 -0.139 0.000 0.988 386 E CA 1.434 57.770 56.400 -0.107 0.000 0.804 386 E CB -0.139 29.501 29.700 -0.101 0.000 0.745 386 E HN 0.321 nan 8.360 nan 0.000 0.458 387 L N -1.748 119.401 121.223 -0.124 0.000 2.131 387 L HA -0.012 4.329 4.340 0.001 0.000 0.206 387 L C 2.123 178.855 176.870 -0.231 0.000 1.087 387 L CA 1.360 56.105 54.840 -0.159 0.000 0.767 387 L CB -0.327 41.650 42.059 -0.137 0.000 0.917 387 L HN -0.001 nan 8.230 nan 0.000 0.441 388 M N 0.120 119.579 119.600 -0.235 0.000 2.200 388 M HA -0.084 4.396 4.480 0.001 0.000 0.265 388 M C 1.675 177.684 176.300 -0.484 0.000 1.066 388 M CA 1.243 56.294 55.300 -0.415 0.000 1.127 388 M CB -0.902 31.491 32.600 -0.343 0.000 1.379 388 M HN 0.354 nan 8.290 nan 0.000 0.420 389 D N 0.830 121.107 120.400 -0.205 0.000 2.097 389 D HA -0.028 4.612 4.640 0.001 0.000 0.197 389 D C 1.996 178.190 176.300 -0.178 0.000 0.984 389 D CA 1.577 55.558 54.000 -0.033 0.000 0.826 389 D CB -0.169 40.680 40.800 0.082 0.000 0.973 389 D HN 0.276 nan 8.370 nan 0.000 0.460 390 A N 0.653 123.315 122.820 -0.264 0.000 2.019 390 A HA -0.129 4.192 4.320 0.001 0.000 0.219 390 A C 2.123 179.568 177.584 -0.231 0.000 1.164 390 A CA 1.185 53.063 52.037 -0.265 0.000 0.644 390 A CB -0.566 18.309 19.000 -0.208 0.000 0.805 390 A HN 0.213 nan 8.150 nan 0.000 0.449 391 M N -0.535 118.885 119.600 -0.301 0.000 2.132 391 M HA -0.090 4.390 4.480 0.001 0.000 0.263 391 M C 2.298 178.396 176.300 -0.337 0.000 1.065 391 M CA 1.559 56.650 55.300 -0.348 0.000 1.122 391 M CB -0.248 32.106 32.600 -0.410 0.000 1.365 391 M HN 0.428 nan 8.290 nan 0.000 0.411 392 A N 0.115 122.716 122.820 -0.364 0.000 1.902 392 A HA -0.224 4.097 4.320 0.001 0.000 0.217 392 A C 1.877 179.351 177.584 -0.182 0.000 1.181 392 A CA 1.745 53.645 52.037 -0.228 0.000 0.623 392 A CB -0.781 18.124 19.000 -0.159 0.000 0.818 392 A HN 0.696 nan 8.150 nan 0.000 0.443 393 Q N -0.681 118.915 119.800 -0.340 0.000 2.124 393 Q HA -0.071 4.269 4.340 0.001 0.000 0.202 393 Q C 2.391 178.342 176.000 -0.082 0.000 0.977 393 Q CA 1.263 56.798 55.803 -0.447 0.000 0.850 393 Q CB -0.367 27.851 28.738 -0.866 0.000 0.901 393 Q HN 0.697 nan 8.270 nan 0.000 0.429 394 A N 1.454 124.144 122.820 -0.217 0.000 1.873 394 A HA -0.207 4.113 4.320 0.001 0.000 0.215 394 A C 1.548 178.994 177.584 -0.231 0.000 1.186 394 A CA 1.731 53.469 52.037 -0.498 0.000 0.616 394 A CB -0.406 18.198 19.000 -0.661 0.000 0.823 394 A HN 0.227 nan 8.150 nan 0.000 0.442 395 D N 0.140 120.442 120.400 -0.163 0.000 2.218 395 D HA -0.064 4.577 4.640 0.001 0.000 0.204 395 D C 2.097 178.412 176.300 0.026 0.000 0.976 395 D CA 1.355 55.322 54.000 -0.055 0.000 0.853 395 D CB -0.375 40.418 40.800 -0.012 0.000 0.939 395 D HN 0.378 nan 8.370 nan 0.000 0.481 396 S N -0.335 115.395 115.700 0.051 0.000 2.442 396 S HA -0.110 4.360 4.470 0.001 0.000 0.236 396 S C 1.848 176.532 174.600 0.140 0.000 1.007 396 S CA 1.413 59.682 58.200 0.115 0.000 0.965 396 S CB -0.262 63.028 63.200 0.151 0.000 0.773 396 S HN 0.507 nan 8.310 nan 0.000 0.504 397 T N -1.509 113.133 114.554 0.146 0.000 3.186 397 T HA 0.495 4.845 4.350 0.001 0.000 0.257 397 T C 0.920 175.688 174.700 0.114 0.000 1.029 397 T CA 0.310 62.507 62.100 0.162 0.000 0.916 397 T CB 0.167 69.192 68.868 0.262 0.000 1.041 397 T HN 0.477 nan 8.240 nan 0.000 0.562 398 G N 1.292 110.128 108.800 0.060 0.000 2.325 398 G HA2 -0.146 3.815 3.960 0.001 0.000 0.248 398 G HA3 -0.146 3.815 3.960 0.001 0.000 0.248 398 G C -0.376 174.474 174.900 -0.084 0.000 1.108 398 G CA -0.096 45.027 45.100 0.038 0.000 0.881 398 G HN 0.575 nan 8.290 nan 0.000 0.494 399 M N -1.288 118.254 119.600 -0.096 0.000 2.691 399 M HA 0.805 5.286 4.480 0.001 0.000 0.293 399 M C -1.113 175.203 176.300 0.028 0.000 1.259 399 M CA -0.976 54.239 55.300 -0.143 0.000 0.827 399 M CB 2.301 34.721 32.600 -0.300 0.000 1.753 399 M HN 0.185 nan 8.290 nan 0.000 0.465 400 F N 2.943 122.744 119.950 -0.250 0.000 3.050 400 F HA 0.459 4.986 4.527 0.001 0.000 0.382 400 F C -1.324 174.256 175.800 -0.368 0.000 1.246 400 F CA -0.893 56.966 58.000 -0.234 0.000 1.217 400 F CB 0.484 39.407 39.000 -0.129 0.000 1.795 400 F HN 0.338 nan 8.300 nan 0.000 0.622 401 I N 0.874 121.170 120.570 -0.457 0.000 2.910 401 I HA 0.712 4.882 4.170 0.001 0.000 0.310 401 I C 0.217 176.125 176.117 -0.349 0.000 1.043 401 I CA -1.372 59.681 61.300 -0.413 0.000 1.053 401 I CB 0.668 38.416 38.000 -0.419 0.000 1.242 401 I HN 0.382 nan 8.210 nan 0.000 0.452 402 C N 1.189 120.362 119.300 -0.212 0.000 2.649 402 C HA 0.510 4.971 4.460 0.001 0.000 0.377 402 C C -1.201 173.559 174.990 -0.383 0.000 1.321 402 C CA -0.643 58.249 59.018 -0.210 0.000 2.368 402 C CB 0.272 28.008 27.740 -0.005 0.000 2.597 402 C HN 0.780 nan 8.230 nan 0.000 0.678 403 P HA -0.143 nan 4.420 nan 0.000 0.218 403 P C 1.394 178.390 177.300 -0.507 0.000 1.148 403 P CA 1.768 64.523 63.100 -0.575 0.000 0.822 403 P CB -0.321 30.984 31.700 -0.659 0.000 0.784 404 H N -1.366 117.525 119.070 -0.297 0.000 2.421 404 H HA -0.026 4.530 4.556 0.001 0.000 0.298 404 H C 1.609 176.840 175.328 -0.163 0.000 1.087 404 H CA 1.676 57.606 56.048 -0.197 0.000 1.330 404 H CB -1.481 28.183 29.762 -0.163 0.000 1.388 404 H HN 0.149 nan 8.280 nan 0.000 0.526 405 T N 0.364 114.868 114.554 -0.084 0.000 2.821 405 T HA -0.072 4.278 4.350 0.001 0.000 0.267 405 T C 2.429 177.041 174.700 -0.146 0.000 1.046 405 T CA 0.982 63.009 62.100 -0.121 0.000 1.139 405 T CB -0.605 68.158 68.868 -0.175 0.000 0.871 405 T HN 0.560 nan 8.240 nan 0.000 0.454 406 G N 1.530 110.211 108.800 -0.197 0.000 2.446 406 G HA2 -0.213 3.748 3.960 0.001 0.000 0.217 406 G HA3 -0.213 3.748 3.960 0.001 0.000 0.217 406 G C 1.693 176.519 174.900 -0.123 0.000 1.168 406 G CA 1.025 46.011 45.100 -0.189 0.000 0.771 406 G HN 0.430 nan 8.290 nan 0.000 0.551 407 V N 1.669 121.513 119.914 -0.117 0.000 2.282 407 V HA -0.220 3.900 4.120 0.001 0.000 0.249 407 V C 3.343 179.411 176.094 -0.043 0.000 1.057 407 V CA 2.246 64.500 62.300 -0.077 0.000 1.032 407 V CB -1.026 30.761 31.823 -0.061 0.000 0.645 407 V HN 0.512 nan 8.190 nan 0.000 0.447 408 A N -0.357 122.440 122.820 -0.040 0.000 1.902 408 A HA -0.139 4.182 4.320 0.001 0.000 0.217 408 A C 2.184 179.781 177.584 0.022 0.000 1.181 408 A CA 1.835 53.860 52.037 -0.021 0.000 0.623 408 A CB -0.522 18.454 19.000 -0.039 0.000 0.818 408 A HN 0.523 nan 8.150 nan 0.000 0.443 409 L N -0.677 120.571 121.223 0.041 0.000 2.217 409 L HA -0.106 4.235 4.340 0.001 0.000 0.211 409 L C 2.617 179.678 176.870 0.318 0.000 1.107 409 L CA 1.457 56.403 54.840 0.177 0.000 0.783 409 L CB -0.677 41.486 42.059 0.173 0.000 0.919 409 L HN 0.322 nan 8.230 nan 0.000 0.442 410 T N -0.089 114.553 114.554 0.146 0.000 2.821 410 T HA -0.132 4.219 4.350 0.001 0.000 0.267 410 T C 2.069 176.835 174.700 0.109 0.000 1.046 410 T CA 1.225 63.384 62.100 0.098 0.000 1.139 410 T CB -0.178 68.668 68.868 -0.037 0.000 0.871 410 T HN 0.434 nan 8.240 nan 0.000 0.454 411 A N 1.406 124.258 122.820 0.053 0.000 1.898 411 A HA 0.026 4.347 4.320 0.001 0.000 0.216 411 A C 2.231 179.822 177.584 0.012 0.000 1.181 411 A CA 1.170 53.217 52.037 0.016 0.000 0.620 411 A CB -0.747 18.247 19.000 -0.010 0.000 0.819 411 A HN 0.411 nan 8.150 nan 0.000 0.442 412 L N -1.571 119.672 121.223 0.033 0.000 2.046 412 L HA -0.037 4.303 4.340 0.001 0.000 0.208 412 L C 2.142 178.987 176.870 -0.042 0.000 1.077 412 L CA 1.811 56.633 54.840 -0.030 0.000 0.747 412 L CB -0.798 41.260 42.059 -0.002 0.000 0.896 412 L HN 0.338 nan 8.230 nan 0.000 0.432 413 F N 0.387 120.320 119.950 -0.028 0.000 2.095 413 F HA -0.247 4.281 4.527 0.001 0.000 0.298 413 F C 2.460 178.234 175.800 -0.044 0.000 1.104 413 F CA 2.038 60.018 58.000 -0.033 0.000 1.232 413 F CB -0.299 38.687 39.000 -0.024 0.000 0.987 413 F HN 0.049 nan 8.300 nan 0.000 0.475 414 K N -0.161 120.325 120.400 0.145 0.000 2.103 414 K HA -0.074 4.246 4.320 0.001 0.000 0.204 414 K C 1.967 178.568 176.600 0.002 0.000 1.052 414 K CA 0.989 57.315 56.287 0.065 0.000 0.945 414 K CB -0.276 32.249 32.500 0.043 0.000 0.722 414 K HN 0.283 nan 8.250 nan 0.000 0.443 415 L N 0.582 121.774 121.223 -0.052 0.000 2.291 415 L HA -0.082 4.258 4.340 0.001 0.000 0.214 415 L C 2.381 179.165 176.870 -0.143 0.000 1.120 415 L CA 0.537 55.300 54.840 -0.128 0.000 0.799 415 L CB -0.174 41.738 42.059 -0.245 0.000 0.925 415 L HN 0.099 nan 8.230 nan 0.000 0.446 416 R N 0.245 120.670 120.500 -0.125 0.000 2.066 416 R HA -0.097 4.243 4.340 0.001 0.000 0.232 416 R C 1.904 178.169 176.300 -0.058 0.000 1.131 416 R CA 1.226 57.258 56.100 -0.113 0.000 0.955 416 R CB -0.882 29.331 30.300 -0.146 0.000 0.851 416 R HN 0.360 nan 8.270 nan 0.000 0.432 417 N N 1.192 119.879 118.700 -0.022 0.000 2.149 417 N HA -0.162 4.578 4.740 0.001 0.000 0.188 417 N C 1.558 177.066 175.510 -0.003 0.000 1.019 417 N CA 1.252 54.304 53.050 0.005 0.000 0.857 417 N CB -0.095 38.413 38.487 0.035 0.000 0.997 417 N HN 0.323 nan 8.380 nan 0.000 0.426 418 Q N -1.176 118.616 119.800 -0.013 0.000 2.451 418 Q HA 0.208 4.548 4.340 0.001 0.000 0.206 418 Q C 0.860 176.850 176.000 -0.017 0.000 0.947 418 Q CA 0.463 56.261 55.803 -0.010 0.000 0.937 418 Q CB 0.447 29.181 28.738 -0.006 0.000 1.025 418 Q HN 0.423 nan 8.270 nan 0.000 0.511 419 G N 0.018 108.798 108.800 -0.033 0.000 2.148 419 G HA2 -0.287 3.673 3.960 0.001 0.000 0.254 419 G HA3 -0.287 3.673 3.960 0.001 0.000 0.254 419 G C 0.760 175.642 174.900 -0.030 0.000 0.981 419 G CA 0.422 45.505 45.100 -0.027 0.000 0.670 419 G HN 0.279 nan 8.290 nan 0.000 0.528 420 V N 0.070 119.940 119.914 -0.074 0.000 2.323 420 V HA 0.163 4.283 4.120 0.001 0.000 0.244 420 V C 1.762 177.749 176.094 -0.179 0.000 1.041 420 V CA 1.677 63.922 62.300 -0.091 0.000 1.025 420 V CB -0.135 31.600 31.823 -0.146 0.000 0.656 420 V HN 0.469 nan 8.190 nan 0.000 0.451 421 I N 1.018 121.374 120.570 -0.357 0.000 2.325 421 I HA 0.431 4.602 4.170 0.001 0.000 0.291 421 I C 0.475 176.523 176.117 -0.115 0.000 1.019 421 I CA -0.223 60.839 61.300 -0.398 0.000 1.302 421 I CB 1.081 38.709 38.000 -0.621 0.000 1.401 421 I HN 0.163 nan 8.210 nan 0.000 0.485 422 A N 9.440 132.277 122.820 0.028 0.000 2.371 422 A HA 0.400 4.720 4.320 0.001 0.000 0.257 422 A C -1.379 176.221 177.584 0.028 0.000 1.089 422 A CA -1.225 50.837 52.037 0.043 0.000 0.794 422 A CB -0.097 18.957 19.000 0.090 0.000 1.029 422 A HN 0.601 nan 8.150 nan 0.000 0.488 423 P HA -0.129 nan 4.420 nan 0.000 0.221 423 P C 1.139 178.463 177.300 0.039 0.000 1.145 423 P CA 1.790 64.893 63.100 0.004 0.000 0.795 423 P CB 0.163 31.859 31.700 -0.007 0.000 0.775 424 T N -1.685 112.903 114.554 0.057 0.000 3.065 424 T HA 0.050 4.400 4.350 0.001 0.000 0.252 424 T C 0.361 175.121 174.700 0.100 0.000 1.099 424 T CA -0.122 62.022 62.100 0.073 0.000 1.063 424 T CB -0.563 68.339 68.868 0.057 0.000 0.948 424 T HN -0.080 nan 8.240 nan 0.000 0.506 425 D N 2.253 122.728 120.400 0.125 0.000 2.414 425 D HA 0.095 4.736 4.640 0.001 0.000 0.242 425 D C 0.315 176.729 176.300 0.190 0.000 1.129 425 D CA 0.029 54.131 54.000 0.171 0.000 0.885 425 D CB 0.526 41.505 40.800 0.298 0.000 1.198 425 D HN 0.234 nan 8.370 nan 0.000 0.437 426 R N 1.563 122.144 120.500 0.136 0.000 2.357 426 R HA 0.151 4.491 4.340 0.001 0.000 0.330 426 R C -0.761 175.657 176.300 0.197 0.000 1.102 426 R CA 0.144 56.321 56.100 0.128 0.000 0.974 426 R CB -0.118 30.109 30.300 -0.122 0.000 1.002 426 R HN 0.244 nan 8.270 nan 0.000 0.463 427 T N 3.638 118.391 114.554 0.332 0.000 2.829 427 T HA 0.358 4.709 4.350 0.001 0.000 0.280 427 T C -0.868 174.077 174.700 0.409 0.000 0.999 427 T CA -0.555 61.750 62.100 0.341 0.000 0.983 427 T CB 1.878 70.905 68.868 0.266 0.000 0.968 427 T HN 0.242 nan 8.240 nan 0.000 0.446 428 V N 3.738 123.857 119.914 0.342 0.000 2.407 428 V HA 0.426 4.547 4.120 0.001 0.000 0.291 428 V C -0.240 175.994 176.094 0.233 0.000 1.018 428 V CA -0.784 61.731 62.300 0.359 0.000 0.842 428 V CB 1.715 33.757 31.823 0.364 0.000 0.996 428 V HN 0.707 nan 8.190 nan 0.000 0.426 429 V N 5.726 125.771 119.914 0.217 0.000 2.394 429 V HA 0.373 4.493 4.120 0.001 0.000 0.282 429 V C 0.036 176.174 176.094 0.074 0.000 1.031 429 V CA -0.583 61.781 62.300 0.108 0.000 0.881 429 V CB 1.968 33.844 31.823 0.088 0.000 0.982 429 V HN 0.624 nan 8.190 nan 0.000 0.451 430 V N 4.229 124.125 119.914 -0.029 0.000 2.368 430 V HA 0.238 4.358 4.120 0.001 0.000 0.266 430 V C 0.644 176.699 176.094 -0.065 0.000 1.045 430 V CA -0.031 62.235 62.300 -0.057 0.000 0.899 430 V CB 1.310 32.985 31.823 -0.247 0.000 1.006 430 V HN 0.875 nan 8.190 nan 0.000 0.470 431 S N 3.658 119.339 115.700 -0.031 0.000 2.400 431 S HA 0.156 4.626 4.470 0.001 0.000 0.295 431 S C 1.492 176.089 174.600 -0.004 0.000 1.113 431 S CA -0.059 58.096 58.200 -0.075 0.000 1.064 431 S CB 0.720 63.795 63.200 -0.208 0.000 0.990 431 S HN 0.977 nan 8.310 nan 0.000 0.502 432 T N 2.939 117.506 114.554 0.021 0.000 2.904 432 T HA 0.320 4.670 4.350 0.001 0.000 0.267 432 T C 0.667 175.562 174.700 0.325 0.000 1.059 432 T CA 0.571 62.764 62.100 0.154 0.000 1.137 432 T CB -0.103 68.823 68.868 0.096 0.000 0.879 432 T HN 0.771 nan 8.240 nan 0.000 0.467 433 A N 0.241 123.209 122.820 0.246 0.000 2.539 433 A HA 0.566 4.887 4.320 0.001 0.000 0.296 433 A C -0.787 176.938 177.584 0.234 0.000 1.073 433 A CA -0.848 51.378 52.037 0.316 0.000 0.700 433 A CB 0.875 20.191 19.000 0.526 0.000 1.296 433 A HN 0.399 nan 8.150 nan 0.000 0.405 434 H N 0.707 119.880 119.070 0.171 0.000 2.790 434 H HA 0.182 4.738 4.556 0.001 0.000 0.358 434 H C 1.597 177.025 175.328 0.166 0.000 1.103 434 H CA 1.463 57.594 56.048 0.137 0.000 1.426 434 H CB 1.504 31.355 29.762 0.149 0.000 1.424 434 H HN 0.793 nan 8.280 nan 0.000 0.599 435 G N 4.215 113.074 108.800 0.099 0.000 2.470 435 G HA2 -0.173 3.787 3.960 0.001 0.000 0.220 435 G HA3 -0.173 3.787 3.960 0.001 0.000 0.220 435 G C 1.787 176.842 174.900 0.258 0.000 1.121 435 G CA 0.177 45.216 45.100 -0.102 0.000 0.766 435 G HN 0.640 nan 8.290 nan 0.000 0.553 436 L N -0.465 121.179 121.223 0.703 0.000 2.450 436 L HA 0.009 4.349 4.340 0.001 0.000 0.224 436 L C 2.501 179.455 176.870 0.141 0.000 1.149 436 L CA 0.803 55.905 54.840 0.437 0.000 0.816 436 L CB -0.045 42.139 42.059 0.209 0.000 0.932 436 L HN 0.213 nan 8.230 nan 0.000 0.449 437 K N -0.729 119.698 120.400 0.045 0.000 2.361 437 K HA 0.116 4.436 4.320 0.001 0.000 0.194 437 K C -0.240 175.950 176.600 -0.684 0.000 1.032 437 K CA 0.320 56.412 56.287 -0.325 0.000 1.048 437 K CB 0.500 32.740 32.500 -0.434 0.000 0.842 437 K HN 0.109 nan 8.250 nan 0.000 0.526 438 F N 0.463 120.449 119.950 0.060 0.000 2.593 438 F HA 0.093 4.620 4.527 0.001 0.000 0.336 438 F C 1.250 177.038 175.800 -0.019 0.000 1.491 438 F CA -0.630 57.378 58.000 0.014 0.000 1.114 438 F CB 0.501 39.481 39.000 -0.033 0.000 1.468 438 F HN -0.092 nan 8.300 nan 0.000 0.579 439 T N -3.389 111.246 114.554 0.136 0.000 2.896 439 T HA -0.128 4.222 4.350 0.001 0.000 0.263 439 T C 1.844 176.615 174.700 0.120 0.000 1.050 439 T CA 0.900 63.087 62.100 0.145 0.000 1.140 439 T CB 0.030 69.000 68.868 0.170 0.000 0.877 439 T HN 0.213 nan 8.240 nan 0.000 0.457 440 Q N 1.701 121.572 119.800 0.119 0.000 2.135 440 Q HA -0.118 4.222 4.340 0.001 0.000 0.204 440 Q C 2.850 178.911 176.000 0.103 0.000 0.981 440 Q CA 2.037 57.911 55.803 0.118 0.000 0.856 440 Q CB -0.634 28.183 28.738 0.132 0.000 0.902 440 Q HN 0.829 nan 8.270 nan 0.000 0.425 441 S N 0.025 115.774 115.700 0.081 0.000 2.423 441 S HA -0.095 4.376 4.470 0.001 0.000 0.231 441 S C 1.745 176.227 174.600 -0.197 0.000 1.014 441 S CA 0.937 59.064 58.200 -0.121 0.000 0.965 441 S CB -0.031 63.074 63.200 -0.159 0.000 0.785 441 S HN 0.274 nan 8.310 nan 0.000 0.495 442 K N 0.755 121.114 120.400 -0.067 0.000 2.098 442 K HA 0.277 4.598 4.320 0.001 0.000 0.203 442 K C 2.024 178.731 176.600 0.179 0.000 1.051 442 K CA 1.062 57.359 56.287 0.016 0.000 0.957 442 K CB -0.307 32.220 32.500 0.044 0.000 0.738 442 K HN 0.361 nan 8.250 nan 0.000 0.447 443 I N 1.706 122.363 120.570 0.145 0.000 2.226 443 I HA -0.280 3.890 4.170 0.001 0.000 0.245 443 I C 1.559 177.747 176.117 0.117 0.000 1.100 443 I CA 1.244 62.634 61.300 0.150 0.000 1.374 443 I CB -0.221 37.847 38.000 0.114 0.000 1.057 443 I HN 0.112 nan 8.210 nan 0.000 0.413 444 D N -0.186 120.259 120.400 0.076 0.000 2.144 444 D HA -0.206 4.434 4.640 0.001 0.000 0.200 444 D C 1.927 178.232 176.300 0.008 0.000 0.978 444 D CA 1.228 55.257 54.000 0.049 0.000 0.833 444 D CB -0.301 40.540 40.800 0.068 0.000 0.961 444 D HN 0.367 nan 8.370 nan 0.000 0.470 445 Y N 1.076 121.269 120.300 -0.180 0.000 2.163 445 Y HA -0.202 4.348 4.550 0.001 0.000 0.288 445 Y C 2.280 178.028 175.900 -0.254 0.000 1.136 445 Y CA 1.685 59.612 58.100 -0.288 0.000 1.147 445 Y CB -0.090 38.093 38.460 -0.461 0.000 0.987 445 Y HN 0.114 nan 8.280 nan 0.000 0.509 446 H N -1.604 117.538 119.070 0.120 0.000 2.547 446 H HA 0.084 4.640 4.556 0.001 0.000 0.272 446 H C 1.852 177.174 175.328 -0.010 0.000 0.989 446 H CA 1.121 57.205 56.048 0.059 0.000 1.214 446 H CB 0.116 29.951 29.762 0.121 0.000 1.389 446 H HN 0.280 nan 8.280 nan 0.000 0.577 447 S N 0.522 116.267 115.700 0.074 0.000 2.575 447 S HA -0.022 4.449 4.470 0.001 0.000 0.215 447 S C 0.294 174.877 174.600 -0.029 0.000 0.966 447 S CA -0.184 58.033 58.200 0.029 0.000 0.911 447 S CB -0.018 63.206 63.200 0.039 0.000 0.780 447 S HN 0.489 nan 8.310 nan 0.000 0.514 448 N N 0.872 119.512 118.700 -0.099 0.000 2.714 448 N HA -0.199 4.542 4.740 0.001 0.000 0.253 448 N C 0.056 175.518 175.510 -0.081 0.000 1.024 448 N CA 0.725 53.690 53.050 -0.142 0.000 0.726 448 N CB -1.051 37.361 38.487 -0.126 0.000 0.908 448 N HN 0.472 nan 8.380 nan 0.000 0.542 449 A N -0.439 122.349 122.820 -0.053 0.000 2.564 449 A HA 0.433 4.753 4.320 0.001 0.000 0.279 449 A C 0.270 177.867 177.584 0.022 0.000 1.232 449 A CA -0.317 51.716 52.037 -0.008 0.000 0.950 449 A CB 0.413 19.422 19.000 0.015 0.000 1.138 449 A HN 0.332 nan 8.150 nan 0.000 0.526 450 I N 1.702 122.279 120.570 0.011 0.000 2.312 450 I HA 0.302 4.472 4.170 0.001 0.000 0.290 450 I C -2.502 173.639 176.117 0.040 0.000 1.008 450 I CA -2.227 59.120 61.300 0.077 0.000 1.226 450 I CB 1.650 39.729 38.000 0.132 0.000 1.371 450 I HN 0.017 nan 8.210 nan 0.000 0.468 451 P HA 0.079 nan 4.420 nan 0.000 0.268 451 P C -0.218 177.091 177.300 0.016 0.000 1.204 451 P CA 0.139 63.250 63.100 0.017 0.000 0.768 451 P CB 0.361 32.069 31.700 0.014 0.000 0.842 452 D N -1.058 119.340 120.400 -0.003 0.000 3.077 452 D HA -0.203 4.437 4.640 0.001 0.000 0.217 452 D C 0.060 176.356 176.300 -0.007 0.000 1.162 452 D CA 1.046 55.042 54.000 -0.008 0.000 0.943 452 D CB -0.862 39.936 40.800 -0.004 0.000 1.122 452 D HN 0.340 nan 8.370 nan 0.000 0.413 453 M N -0.224 119.371 119.600 -0.009 0.000 2.268 453 M HA 0.528 5.009 4.480 0.001 0.000 0.344 453 M C 0.869 177.121 176.300 -0.080 0.000 1.106 453 M CA -0.023 55.266 55.300 -0.019 0.000 1.010 453 M CB 1.767 34.377 32.600 0.017 0.000 1.649 453 M HN -0.093 nan 8.290 nan 0.000 0.443 454 A N 2.519 125.283 122.820 -0.092 0.000 1.968 454 A HA 0.064 4.384 4.320 0.001 0.000 0.217 454 A C 1.026 178.476 177.584 -0.223 0.000 1.169 454 A CA 0.898 52.854 52.037 -0.135 0.000 0.638 454 A CB -0.991 17.935 19.000 -0.123 0.000 0.812 454 A HN 1.046 nan 8.150 nan 0.000 0.446 455 C N -0.143 118.976 119.300 -0.302 0.000 3.899 455 C HA -0.174 4.286 4.460 0.001 0.000 0.297 455 C C 1.894 176.609 174.990 -0.457 0.000 1.371 455 C CA 0.841 59.467 59.018 -0.654 0.000 2.088 455 C CB -2.762 24.497 27.740 -0.802 0.000 1.346 455 C HN 0.805 nan 8.230 nan 0.000 0.658 456 R N -0.352 119.943 120.500 -0.343 0.000 2.148 456 R HA -0.017 4.324 4.340 0.001 0.000 0.227 456 R C 1.018 177.035 176.300 -0.473 0.000 1.103 456 R CA 1.717 57.541 56.100 -0.460 0.000 0.983 456 R CB -0.290 29.620 30.300 -0.649 0.000 0.874 456 R HN 0.578 nan 8.270 nan 0.000 0.451 457 F N 2.485 122.479 119.950 0.074 0.000 2.750 457 F HA 0.237 4.764 4.527 0.001 0.000 0.297 457 F C 0.338 176.277 175.800 0.232 0.000 1.138 457 F CA -0.997 57.098 58.000 0.159 0.000 1.346 457 F CB 0.563 39.663 39.000 0.167 0.000 0.965 457 F HN -0.000 nan 8.300 nan 0.000 0.514 458 S N 0.013 115.798 115.700 0.143 0.000 2.562 458 S HA 0.082 4.552 4.470 0.001 0.000 0.281 458 S C 0.183 174.961 174.600 0.297 0.000 1.333 458 S CA -0.606 57.685 58.200 0.151 0.000 1.052 458 S CB 1.035 64.136 63.200 -0.166 0.000 0.884 458 S HN 0.358 nan 8.310 nan 0.000 0.506 459 N N 2.957 121.941 118.700 0.475 0.000 2.813 459 N HA 0.310 5.050 4.740 0.001 0.000 0.282 459 N C -2.738 172.825 175.510 0.089 0.000 1.748 459 N CA -1.308 51.863 53.050 0.203 0.000 0.860 459 N CB 0.686 39.241 38.487 0.115 0.000 1.204 459 N HN 0.567 nan 8.380 nan 0.000 0.490 460 P HA 0.407 nan 4.420 nan 0.000 0.277 460 P C -2.665 174.637 177.300 0.002 0.000 1.240 460 P CA -0.900 62.224 63.100 0.040 0.000 0.798 460 P CB -0.070 31.649 31.700 0.031 0.000 0.979 461 P HA 0.117 nan 4.420 nan 0.000 0.268 461 P C -0.626 176.660 177.300 -0.023 0.000 1.205 461 P CA -0.075 63.010 63.100 -0.025 0.000 0.771 461 P CB 0.259 31.947 31.700 -0.020 0.000 0.858 462 V N 2.852 122.744 119.914 -0.036 0.000 2.509 462 V HA 0.206 4.326 4.120 0.001 0.000 0.284 462 V C 0.369 176.448 176.094 -0.025 0.000 1.047 462 V CA -0.403 61.879 62.300 -0.031 0.000 0.952 462 V CB 1.215 33.013 31.823 -0.042 0.000 0.988 462 V HN 0.491 nan 8.190 nan 0.000 0.469 463 D N 2.268 122.658 120.400 -0.018 0.000 2.210 463 D HA 0.594 5.235 4.640 0.001 0.000 0.249 463 D C -0.800 175.492 176.300 -0.013 0.000 1.078 463 D CA 0.181 54.173 54.000 -0.014 0.000 0.875 463 D CB 2.183 42.978 40.800 -0.009 0.000 1.175 463 D HN 0.386 nan 8.370 nan 0.000 0.440 464 V N 2.920 122.827 119.914 -0.012 0.000 2.924 464 V HA 0.211 4.331 4.120 0.001 0.000 0.300 464 V C -0.870 175.222 176.094 -0.004 0.000 1.227 464 V CA -0.913 61.382 62.300 -0.010 0.000 0.954 464 V CB 2.213 34.027 31.823 -0.015 0.000 1.055 464 V HN 0.535 nan 8.190 nan 0.000 0.429 465 K N 4.990 125.390 120.400 0.000 0.000 2.120 465 K HA 0.576 4.896 4.320 0.001 0.000 0.245 465 K C 0.169 176.776 176.600 0.013 0.000 1.024 465 K CA 0.269 56.559 56.287 0.006 0.000 0.906 465 K CB 1.230 33.735 32.500 0.008 0.000 1.051 465 K HN 1.214 nan 8.250 nan 0.000 0.491 466 A N 2.060 124.891 122.820 0.019 0.000 2.770 466 A HA 0.074 4.394 4.320 0.001 0.000 0.292 466 A C -0.748 176.862 177.584 0.044 0.000 1.604 466 A CA 0.068 52.123 52.037 0.030 0.000 1.271 466 A CB -1.026 17.991 19.000 0.027 0.000 1.075 466 A HN 0.691 nan 8.150 nan 0.000 0.573 467 D N 1.182 121.613 120.400 0.053 0.000 2.890 467 D HA 0.299 4.939 4.640 0.001 0.000 0.233 467 D C 0.340 176.698 176.300 0.097 0.000 1.306 467 D CA -0.600 53.444 54.000 0.073 0.000 0.929 467 D CB 0.539 41.364 40.800 0.041 0.000 1.512 467 D HN 0.170 nan 8.370 nan 0.000 0.568 468 F N 3.468 123.420 119.950 0.004 0.000 2.095 468 F HA 0.037 4.564 4.527 0.001 0.000 0.298 468 F C 1.808 177.612 175.800 0.007 0.000 1.104 468 F CA 2.417 60.420 58.000 0.005 0.000 1.232 468 F CB -0.226 38.777 39.000 0.005 0.000 0.987 468 F HN 0.462 nan 8.300 nan 0.000 0.475 469 G N -0.550 108.148 108.800 -0.170 0.000 2.408 469 G HA2 -0.111 3.849 3.960 0.001 0.000 0.217 469 G HA3 -0.111 3.849 3.960 0.001 0.000 0.217 469 G C 1.774 176.559 174.900 -0.192 0.000 1.150 469 G CA 0.670 45.613 45.100 -0.261 0.000 0.776 469 G HN 0.634 nan 8.290 nan 0.000 0.542 470 A N 0.087 122.846 122.820 -0.102 0.000 1.929 470 A HA 0.183 4.503 4.320 0.001 0.000 0.216 470 A C 2.554 180.089 177.584 -0.081 0.000 1.176 470 A CA 1.567 53.563 52.037 -0.069 0.000 0.628 470 A CB -0.446 18.536 19.000 -0.030 0.000 0.816 470 A HN 0.216 nan 8.150 nan 0.000 0.444 471 V N -0.131 119.727 119.914 -0.093 0.000 2.379 471 V HA -0.240 3.880 4.120 0.001 0.000 0.245 471 V C 2.662 178.689 176.094 -0.112 0.000 1.044 471 V CA 1.812 64.066 62.300 -0.078 0.000 1.036 471 V CB -0.600 31.200 31.823 -0.040 0.000 0.664 471 V HN 0.484 nan 8.190 nan 0.000 0.453 472 M N -0.453 119.014 119.600 -0.221 0.000 2.117 472 M HA -0.181 4.300 4.480 0.001 0.000 0.262 472 M C 2.126 178.346 176.300 -0.134 0.000 1.065 472 M CA 1.726 56.888 55.300 -0.230 0.000 1.114 472 M CB -1.184 31.139 32.600 -0.462 0.000 1.361 472 M HN 0.407 nan 8.290 nan 0.000 0.408 473 D N 0.236 120.558 120.400 -0.130 0.000 2.178 473 D HA -0.097 4.543 4.640 0.001 0.000 0.202 473 D C 1.810 178.091 176.300 -0.032 0.000 0.974 473 D CA 1.347 55.303 54.000 -0.074 0.000 0.841 473 D CB 0.461 41.219 40.800 -0.070 0.000 0.953 473 D HN 0.321 nan 8.370 nan 0.000 0.478 474 V N -1.287 118.610 119.914 -0.029 0.000 2.951 474 V HA -0.003 4.118 4.120 0.001 0.000 0.255 474 V C 2.436 178.553 176.094 0.038 0.000 1.088 474 V CA 0.538 62.839 62.300 0.001 0.000 1.109 474 V CB -0.501 31.314 31.823 -0.013 0.000 0.724 474 V HN 0.063 nan 8.190 nan 0.000 0.471 475 L N -0.101 121.137 121.223 0.025 0.000 2.095 475 L HA 0.030 4.370 4.340 0.001 0.000 0.204 475 L C 2.759 179.692 176.870 0.106 0.000 1.080 475 L CA 1.754 56.642 54.840 0.081 0.000 0.759 475 L CB -0.436 41.647 42.059 0.039 0.000 0.914 475 L HN 0.269 nan 8.230 nan 0.000 0.439 476 K N -0.324 120.099 120.400 0.038 0.000 2.097 476 K HA -0.124 4.197 4.320 0.001 0.000 0.205 476 K C 2.136 178.751 176.600 0.025 0.000 1.050 476 K CA 1.359 57.657 56.287 0.019 0.000 0.938 476 K CB 0.121 32.615 32.500 -0.010 0.000 0.718 476 K HN 0.127 nan 8.250 nan 0.000 0.442 477 S N -0.094 115.631 115.700 0.042 0.000 2.428 477 S HA -0.123 4.347 4.470 0.001 0.000 0.230 477 S C 1.434 176.082 174.600 0.079 0.000 1.014 477 S CA 0.747 58.974 58.200 0.044 0.000 0.957 477 S CB -0.275 62.950 63.200 0.041 0.000 0.784 477 S HN 0.451 nan 8.310 nan 0.000 0.499 478 Y N 1.853 122.149 120.300 -0.007 0.000 2.286 478 Y HA 0.154 4.705 4.550 0.000 0.000 0.293 478 Y C 1.503 177.403 175.900 0.001 0.000 1.124 478 Y CA 1.079 59.180 58.100 0.000 0.000 1.178 478 Y CB -0.224 38.236 38.460 0.001 0.000 1.010 478 Y HN 0.127 nan 8.280 nan 0.000 0.536 479 L N -0.049 121.077 121.223 -0.163 0.000 2.558 479 L HA 0.328 4.668 4.340 0.001 0.000 0.225 479 L C 0.910 177.692 176.870 -0.147 0.000 1.128 479 L CA 0.396 55.094 54.840 -0.237 0.000 0.868 479 L CB -0.200 41.809 42.059 -0.082 0.000 1.006 479 L HN 0.366 nan 8.230 nan 0.000 0.454 480 G N 0.000 108.742 108.800 -0.096 0.000 5.446 480 G HA2 0.000 3.960 3.960 0.001 0.000 0.244 480 G HA3 0.000 3.960 3.960 0.001 0.000 0.244 480 G CA 0.000 nan 45.100 nan 0.000 0.502 480 G HN 0.000 nan 8.290 nan 0.000 0.925