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 3e04_1_D DATA FIRST_RESID 49 DATA SEQUENCE SFRIEYDTFG ELKVPNDKYY GAQTVRSTMN FKIGGVTERM PTPVIKAFGI DATA SEQUENCE LKRAAAEVNQ DYGLDPKIAN AIMKAADEVA EGKLNDHFPL VVWQTGSGTQ DATA SEQUENCE TNMNVNEVIS NRAIEMLGGE LGSKIPVHPN DHVNKSQSSN DTFPTAMHIA DATA SEQUENCE AAIEVHEVLL PGLQKLHDAL DAKSKEFAQI IKIGRTHTQD AVPLTLGQEF DATA SEQUENCE SGYVQQVKYA MTRIKAAMPR IYELAAGGTA VGTGLNTRIG FAEKVAAKVA DATA SEQUENCE ALTGLPFVTA PNKFEALAAH DALVELSGAM NTTACSLMKI ANDIRFLGSG DATA SEQUENCE PRSGLGELIL PENEPGXXXM PGKVNPTQCE AMTMVAAQVM GNHVAVTVGG DATA SEQUENCE SNGHFELNVF KPMMIKNVLH SARLLGDASV SFTENCVVGI QANTERINKL DATA SEQUENCE MNESLMLVTA LNPHIGYDKA AKIAKTAHKN GSTLKETAIE LGYLTAEQFD DATA SEQUENCE EWVKPKDMLG PK 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 49 S HA 0.000 nan 4.470 nan 0.000 0.327 49 S C 0.000 174.437 174.600 -0.272 0.000 1.055 49 S CA 0.000 nan 58.200 nan 0.000 1.107 49 S CB 0.000 nan 63.200 nan 0.000 0.593 50 F N 1.747 121.667 119.950 -0.050 0.000 2.508 50 F HA 0.674 5.201 4.527 -0.000 0.000 0.325 50 F C 0.783 176.549 175.800 -0.058 0.000 1.090 50 F CA -0.380 57.586 58.000 -0.056 0.000 0.945 50 F CB 2.103 41.076 39.000 -0.046 0.000 1.156 50 F HN 0.785 nan 8.300 nan 0.000 0.463 51 R N 2.929 123.491 120.500 0.103 0.000 2.643 51 R HA 0.711 5.051 4.340 -0.000 0.000 0.272 51 R C -1.357 174.966 176.300 0.039 0.000 0.995 51 R CA -0.781 55.346 56.100 0.045 0.000 1.032 51 R CB 1.270 31.566 30.300 -0.007 0.000 1.126 51 R HN 0.426 nan 8.270 nan 0.000 0.505 52 I N 1.646 122.200 120.570 -0.027 0.000 2.359 52 I HA 0.335 4.505 4.170 -0.000 0.000 0.294 52 I C 0.135 176.111 176.117 -0.235 0.000 0.987 52 I CA -0.343 60.867 61.300 -0.149 0.000 1.225 52 I CB 1.391 39.285 38.000 -0.176 0.000 1.366 52 I HN 0.793 nan 8.210 nan 0.000 0.466 53 E N 4.446 124.432 120.200 -0.357 0.000 2.433 53 E HA 0.550 4.900 4.350 -0.000 0.000 0.273 53 E C -1.808 174.486 176.600 -0.510 0.000 0.950 53 E CA -0.702 55.511 56.400 -0.312 0.000 0.796 53 E CB 2.915 32.573 29.700 -0.070 0.000 1.330 53 E HN 0.307 nan 8.360 nan 0.000 0.455 54 Y N 0.689 121.009 120.300 0.034 0.000 2.477 54 Y HA 0.312 4.862 4.550 -0.000 0.000 0.347 54 Y C -0.277 175.639 175.900 0.026 0.000 0.981 54 Y CA -0.818 57.297 58.100 0.026 0.000 1.033 54 Y CB 1.636 40.103 38.460 0.011 0.000 1.245 54 Y HN 0.506 nan 8.280 nan 0.000 0.455 55 D N -1.729 118.777 120.400 0.178 0.000 2.714 55 D HA 0.183 4.823 4.640 -0.000 0.000 0.278 55 D C 0.797 177.100 176.300 0.005 0.000 1.102 55 D CA -0.463 53.598 54.000 0.102 0.000 1.108 55 D CB 0.590 41.474 40.800 0.140 0.000 1.444 55 D HN 0.461 nan 8.370 nan 0.000 0.568 56 T N -2.670 111.765 114.554 -0.198 0.000 3.051 56 T HA -0.018 4.332 4.350 -0.000 0.000 0.269 56 T C 0.898 175.266 174.700 -0.553 0.000 1.127 56 T CA 0.694 62.529 62.100 -0.442 0.000 1.107 56 T CB -0.658 67.817 68.868 -0.655 0.000 0.898 56 T HN 0.329 nan 8.240 nan 0.000 0.517 57 F N 1.419 121.395 119.950 0.044 0.000 2.678 57 F HA 0.608 5.135 4.527 -0.000 0.000 0.305 57 F C 1.509 177.330 175.800 0.036 0.000 1.090 57 F CA -0.214 57.804 58.000 0.030 0.000 1.272 57 F CB 0.486 39.496 39.000 0.016 0.000 1.060 57 F HN 0.555 nan 8.300 nan 0.000 0.576 58 G N -0.180 108.723 108.800 0.172 0.000 2.359 58 G HA2 0.346 4.306 3.960 -0.000 0.000 0.303 58 G HA3 0.346 4.306 3.960 -0.000 0.000 0.303 58 G C -1.240 173.749 174.900 0.148 0.000 1.293 58 G CA -0.592 44.596 45.100 0.147 0.000 0.964 58 G HN 0.192 nan 8.290 nan 0.000 0.531 59 E N -0.765 119.499 120.200 0.107 0.000 2.331 59 E HA 0.692 5.042 4.350 -0.000 0.000 0.272 59 E C -0.134 176.423 176.600 -0.071 0.000 1.036 59 E CA -0.092 56.298 56.400 -0.016 0.000 0.864 59 E CB 1.082 30.777 29.700 -0.008 0.000 1.035 59 E HN 0.975 nan 8.360 nan 0.000 0.408 60 L N 2.182 123.313 121.223 -0.153 0.000 2.409 60 L HA 0.396 4.736 4.340 -0.000 0.000 0.272 60 L C 0.069 176.886 176.870 -0.089 0.000 0.980 60 L CA -0.942 53.850 54.840 -0.080 0.000 0.826 60 L CB 2.357 44.408 42.059 -0.013 0.000 1.268 60 L HN 0.492 nan 8.230 nan 0.000 0.407 61 K N 2.833 123.195 120.400 -0.064 0.000 2.339 61 K HA 0.448 4.768 4.320 -0.000 0.000 0.286 61 K C -0.907 175.843 176.600 0.250 0.000 1.050 61 K CA -0.441 55.854 56.287 0.014 0.000 0.956 61 K CB 1.661 33.956 32.500 -0.342 0.000 0.990 61 K HN 0.229 nan 8.250 nan 0.000 0.475 62 V N 5.234 125.331 119.914 0.305 0.000 2.448 62 V HA 0.220 4.340 4.120 -0.000 0.000 0.295 62 V C -2.326 173.804 176.094 0.060 0.000 1.025 62 V CA -2.584 59.850 62.300 0.224 0.000 0.859 62 V CB 1.465 33.336 31.823 0.080 0.000 0.988 62 V HN 0.635 nan 8.190 nan 0.000 0.431 63 P HA 0.138 nan 4.420 nan 0.000 0.264 63 P C 0.529 177.555 177.300 -0.458 0.000 1.193 63 P CA 0.100 62.781 63.100 -0.699 0.000 0.763 63 P CB 0.484 31.802 31.700 -0.637 0.000 0.810 64 N N 2.618 121.072 118.700 -0.410 0.000 2.192 64 N HA -0.173 4.567 4.740 -0.000 0.000 0.188 64 N C 1.010 176.327 175.510 -0.322 0.000 1.013 64 N CA 1.434 54.314 53.050 -0.284 0.000 0.863 64 N CB -0.521 37.841 38.487 -0.209 0.000 0.990 64 N HN 0.574 nan 8.380 nan 0.000 0.430 65 D N -0.195 119.999 120.400 -0.345 0.000 2.336 65 D HA -0.040 4.600 4.640 -0.000 0.000 0.229 65 D C -0.072 176.006 176.300 -0.370 0.000 1.061 65 D CA 0.477 54.281 54.000 -0.326 0.000 0.875 65 D CB 0.074 40.723 40.800 -0.251 0.000 0.904 65 D HN -0.041 nan 8.370 nan 0.000 0.525 66 K N 0.027 120.150 120.400 -0.461 0.000 2.203 66 K HA 0.184 4.504 4.320 -0.000 0.000 0.251 66 K C -0.246 176.019 176.600 -0.559 0.000 0.944 66 K CA -0.839 55.158 56.287 -0.483 0.000 0.829 66 K CB 1.505 33.441 32.500 -0.940 0.000 1.125 66 K HN -0.078 nan 8.250 nan 0.000 0.430 67 Y N 0.194 120.331 120.300 -0.273 0.000 2.482 67 Y HA -0.018 4.532 4.550 -0.000 0.000 0.270 67 Y C 0.786 176.558 175.900 -0.214 0.000 1.152 67 Y CA -0.307 57.596 58.100 -0.328 0.000 1.292 67 Y CB -0.212 37.944 38.460 -0.506 0.000 1.070 67 Y HN 0.517 nan 8.280 nan 0.000 0.528 68 Y N -1.064 119.244 120.300 0.014 0.000 2.289 68 Y HA 0.707 5.256 4.550 -0.000 0.000 0.332 68 Y C 0.733 176.621 175.900 -0.021 0.000 1.324 68 Y CA -1.568 56.504 58.100 -0.047 0.000 1.478 68 Y CB -0.055 38.346 38.460 -0.099 0.000 1.378 68 Y HN -0.088 nan 8.280 nan 0.000 0.558 69 G N -0.898 108.089 108.800 0.313 0.000 3.217 69 G HA2 0.479 4.439 3.960 -0.000 0.000 0.213 69 G HA3 0.479 4.439 3.960 -0.000 0.000 0.213 69 G C 0.368 175.374 174.900 0.177 0.000 1.294 69 G CA -0.706 44.502 45.100 0.181 0.000 0.987 69 G HN 0.971 nan 8.290 nan 0.000 0.584 70 A N -1.245 121.636 122.820 0.102 0.000 1.930 70 A HA 0.017 4.337 4.320 -0.000 0.000 0.217 70 A C 2.242 179.877 177.584 0.085 0.000 1.175 70 A CA 1.714 53.802 52.037 0.086 0.000 0.627 70 A CB -0.402 18.637 19.000 0.064 0.000 0.815 70 A HN 0.413 nan 8.150 nan 0.000 0.443 71 Q N -0.358 119.488 119.800 0.077 0.000 2.079 71 Q HA -0.106 4.234 4.340 -0.000 0.000 0.200 71 Q C 2.211 178.233 176.000 0.037 0.000 0.974 71 Q CA 2.011 57.858 55.803 0.074 0.000 0.840 71 Q CB -1.086 27.691 28.738 0.065 0.000 0.898 71 Q HN 0.666 nan 8.270 nan 0.000 0.430 72 T N 1.143 115.692 114.554 -0.007 0.000 2.720 72 T HA -0.109 4.241 4.350 -0.000 0.000 0.268 72 T C 2.109 176.713 174.700 -0.160 0.000 1.037 72 T CA 1.479 63.497 62.100 -0.136 0.000 1.144 72 T CB -0.318 68.379 68.868 -0.285 0.000 0.864 72 T HN 0.033 nan 8.240 nan 0.000 0.444 73 V N 1.439 121.317 119.914 -0.061 0.000 2.295 73 V HA -0.145 3.975 4.120 -0.000 0.000 0.246 73 V C 2.656 178.756 176.094 0.009 0.000 1.049 73 V CA 1.674 63.968 62.300 -0.011 0.000 1.024 73 V CB -0.565 31.322 31.823 0.107 0.000 0.648 73 V HN 0.243 nan 8.190 nan 0.000 0.447 74 R N 0.910 121.433 120.500 0.038 0.000 2.091 74 R HA -0.130 4.210 4.340 -0.000 0.000 0.238 74 R C 2.404 178.729 176.300 0.042 0.000 1.136 74 R CA 2.103 58.228 56.100 0.041 0.000 0.959 74 R CB -0.911 29.445 30.300 0.093 0.000 0.856 74 R HN 0.513 nan 8.270 nan 0.000 0.437 75 S N -0.588 115.165 115.700 0.087 0.000 2.383 75 S HA -0.171 4.299 4.470 -0.000 0.000 0.229 75 S C 1.872 176.575 174.600 0.171 0.000 1.030 75 S CA 1.730 60.054 58.200 0.207 0.000 1.002 75 S CB -0.636 62.636 63.200 0.120 0.000 0.829 75 S HN 0.754 nan 8.310 nan 0.000 0.467 76 T N 0.394 114.970 114.554 0.037 0.000 2.915 76 T HA 0.017 4.367 4.350 -0.000 0.000 0.269 76 T C 1.670 176.383 174.700 0.022 0.000 1.071 76 T CA 1.040 63.151 62.100 0.019 0.000 1.132 76 T CB -0.431 68.413 68.868 -0.039 0.000 0.878 76 T HN 0.307 nan 8.240 nan 0.000 0.479 77 M N 1.043 120.642 119.600 -0.003 0.000 2.236 77 M HA 0.168 4.648 4.480 -0.000 0.000 0.266 77 M C 1.791 178.028 176.300 -0.104 0.000 1.070 77 M CA 0.946 56.221 55.300 -0.042 0.000 1.137 77 M CB -0.159 32.412 32.600 -0.049 0.000 1.378 77 M HN 0.141 nan 8.290 nan 0.000 0.426 78 N N -0.464 118.141 118.700 -0.159 0.000 2.373 78 N HA 0.103 4.843 4.740 -0.000 0.000 0.181 78 N C -0.414 174.673 175.510 -0.705 0.000 1.082 78 N CA 0.676 53.461 53.050 -0.441 0.000 0.885 78 N CB 0.403 38.538 38.487 -0.586 0.000 0.977 78 N HN 0.197 nan 8.380 nan 0.000 0.462 79 F N 0.307 120.241 119.950 -0.027 0.000 2.542 79 F HA 0.336 4.863 4.527 -0.000 0.000 0.323 79 F C 0.758 176.571 175.800 0.022 0.000 1.411 79 F CA -0.639 57.363 58.000 0.003 0.000 1.124 79 F CB 0.294 39.296 39.000 0.004 0.000 1.331 79 F HN -0.262 nan 8.300 nan 0.000 0.560 80 K N 2.184 122.637 120.400 0.088 0.000 2.333 80 K HA 0.614 4.934 4.320 -0.000 0.000 0.241 80 K C -0.450 176.198 176.600 0.080 0.000 1.193 80 K CA 0.088 56.418 56.287 0.071 0.000 1.142 80 K CB -0.761 31.748 32.500 0.015 0.000 1.731 80 K HN 0.604 nan 8.250 nan 0.000 0.344 81 I N 0.692 121.350 120.570 0.147 0.000 2.420 81 I HA 0.475 4.645 4.170 -0.000 0.000 0.282 81 I C 1.242 177.452 176.117 0.155 0.000 1.019 81 I CA -0.432 60.944 61.300 0.127 0.000 1.130 81 I CB 1.750 39.853 38.000 0.172 0.000 1.262 81 I HN 0.646 nan 8.210 nan 0.000 0.454 82 G N 3.865 112.705 108.800 0.066 0.000 2.217 82 G HA2 -0.087 3.873 3.960 -0.000 0.000 0.246 82 G HA3 -0.087 3.873 3.960 -0.000 0.000 0.246 82 G C 0.689 175.643 174.900 0.090 0.000 0.990 82 G CA 0.000 45.139 45.100 0.065 0.000 0.627 82 G HN 1.479 nan 8.290 nan 0.000 0.522 83 G N -1.631 107.227 108.800 0.098 0.000 2.632 83 G HA2 0.071 4.031 3.960 -0.000 0.000 0.224 83 G HA3 0.071 4.031 3.960 -0.000 0.000 0.224 83 G C 1.380 176.329 174.900 0.082 0.000 1.341 83 G CA 2.135 47.280 45.100 0.075 0.000 0.880 83 G HN 1.841 nan 8.290 nan 0.000 0.566 84 V N -2.126 117.825 119.914 0.061 0.000 2.453 84 V HA 0.013 4.133 4.120 -0.000 0.000 0.247 84 V C 3.123 179.250 176.094 0.055 0.000 1.048 84 V CA 3.257 65.590 62.300 0.054 0.000 1.049 84 V CB -1.588 30.261 31.823 0.043 0.000 0.672 84 V HN 2.016 nan 8.190 nan 0.000 0.457 85 T N -1.705 112.882 114.554 0.056 0.000 2.977 85 T HA -0.121 4.229 4.350 -0.000 0.000 0.271 85 T C 1.405 176.141 174.700 0.061 0.000 1.105 85 T CA 1.504 63.634 62.100 0.050 0.000 1.116 85 T CB -0.501 68.395 68.868 0.047 0.000 0.878 85 T HN 0.572 nan 8.240 nan 0.000 0.509 86 E N 0.757 121.018 120.200 0.101 0.000 2.463 86 E HA 0.218 4.568 4.350 -0.000 0.000 0.193 86 E C 0.528 177.146 176.600 0.030 0.000 1.041 86 E CA -0.154 56.329 56.400 0.138 0.000 0.879 86 E CB 0.030 29.936 29.700 0.343 0.000 0.997 86 E HN 0.598 nan 8.360 nan 0.000 0.478 87 R N 0.717 121.233 120.500 0.026 0.000 2.698 87 R HA 0.046 4.386 4.340 -0.000 0.000 0.266 87 R C 0.600 176.881 176.300 -0.032 0.000 1.026 87 R CA -0.274 55.829 56.100 0.005 0.000 1.102 87 R CB 0.237 30.557 30.300 0.033 0.000 0.978 87 R HN 0.005 nan 8.270 nan 0.000 0.436 88 M N 4.655 124.230 119.600 -0.042 0.000 2.290 88 M HA 0.031 4.511 4.480 -0.000 0.000 0.356 88 M C -2.108 174.173 176.300 -0.030 0.000 1.448 88 M CA -1.118 54.154 55.300 -0.047 0.000 0.993 88 M CB 0.347 32.939 32.600 -0.014 0.000 1.934 88 M HN 0.292 nan 8.290 nan 0.000 0.461 89 P HA 0.011 nan 4.420 nan 0.000 0.264 89 P C 0.268 177.548 177.300 -0.034 0.000 1.183 89 P CA 0.223 63.310 63.100 -0.023 0.000 0.763 89 P CB 0.338 32.029 31.700 -0.014 0.000 0.807 90 T N 4.343 118.881 114.554 -0.027 0.000 2.759 90 T HA -0.105 4.245 4.350 -0.000 0.000 0.269 90 T C -0.872 173.794 174.700 -0.057 0.000 1.042 90 T CA 1.863 63.935 62.100 -0.048 0.000 1.140 90 T CB -1.528 67.331 68.868 -0.015 0.000 0.864 90 T HN 0.514 nan 8.240 nan 0.000 0.455 91 P HA -0.029 nan 4.420 nan 0.000 0.218 91 P C 1.571 178.836 177.300 -0.058 0.000 1.148 91 P CA 0.552 63.632 63.100 -0.032 0.000 0.822 91 P CB -0.165 31.529 31.700 -0.011 0.000 0.784 92 V N -0.390 119.486 119.914 -0.064 0.000 2.307 92 V HA -0.205 3.915 4.120 -0.000 0.000 0.245 92 V C 2.296 178.392 176.094 0.004 0.000 1.045 92 V CA 1.509 63.763 62.300 -0.076 0.000 1.024 92 V CB -1.055 30.733 31.823 -0.059 0.000 0.651 92 V HN 0.020 nan 8.190 nan 0.000 0.449 93 I N 0.291 120.805 120.570 -0.094 0.000 2.163 93 I HA -0.235 3.935 4.170 -0.000 0.000 0.243 93 I C 2.397 178.405 176.117 -0.181 0.000 1.085 93 I CA 1.690 62.823 61.300 -0.278 0.000 1.347 93 I CB -1.282 36.364 38.000 -0.589 0.000 1.044 93 I HN 0.361 nan 8.210 nan 0.000 0.408 94 K N 0.630 120.955 120.400 -0.126 0.000 2.097 94 K HA -0.087 4.233 4.320 -0.000 0.000 0.206 94 K C 2.180 178.751 176.600 -0.050 0.000 1.049 94 K CA 1.471 57.714 56.287 -0.073 0.000 0.933 94 K CB -0.214 32.257 32.500 -0.047 0.000 0.717 94 K HN 0.304 nan 8.250 nan 0.000 0.442 95 A N 0.587 123.366 122.820 -0.069 0.000 1.969 95 A HA -0.123 4.197 4.320 -0.000 0.000 0.218 95 A C 1.887 179.381 177.584 -0.149 0.000 1.169 95 A CA 1.117 53.076 52.037 -0.129 0.000 0.635 95 A CB -0.581 18.299 19.000 -0.200 0.000 0.810 95 A HN 0.183 nan 8.150 nan 0.000 0.445 96 F N 0.428 120.273 119.950 -0.175 0.000 2.146 96 F HA -0.004 4.523 4.527 -0.000 0.000 0.298 96 F C 2.619 178.368 175.800 -0.086 0.000 1.096 96 F CA 1.182 59.101 58.000 -0.135 0.000 1.275 96 F CB -0.747 38.174 39.000 -0.131 0.000 1.008 96 F HN 0.288 nan 8.300 nan 0.000 0.480 97 G N 0.508 109.371 108.800 0.105 0.000 2.529 97 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.219 97 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.219 97 G C 1.776 176.687 174.900 0.018 0.000 1.177 97 G CA 1.474 46.606 45.100 0.052 0.000 0.773 97 G HN 0.371 nan 8.290 nan 0.000 0.573 98 I N 0.075 120.631 120.570 -0.024 0.000 2.179 98 I HA -0.140 4.029 4.170 -0.000 0.000 0.242 98 I C 2.581 178.655 176.117 -0.072 0.000 1.088 98 I CA 0.765 62.032 61.300 -0.056 0.000 1.357 98 I CB -0.254 37.691 38.000 -0.091 0.000 1.051 98 I HN 0.201 nan 8.210 nan 0.000 0.409 99 L N 0.852 122.015 121.223 -0.100 0.000 2.046 99 L HA -0.181 4.159 4.340 -0.000 0.000 0.208 99 L C 2.334 179.201 176.870 -0.005 0.000 1.077 99 L CA 1.923 56.699 54.840 -0.105 0.000 0.747 99 L CB -0.673 41.277 42.059 -0.182 0.000 0.896 99 L HN 0.060 nan 8.230 nan 0.000 0.432 100 K N -0.312 120.122 120.400 0.055 0.000 2.155 100 K HA -0.126 4.194 4.320 -0.000 0.000 0.203 100 K C 2.220 178.862 176.600 0.071 0.000 1.052 100 K CA 1.061 57.407 56.287 0.098 0.000 0.948 100 K CB -0.314 32.265 32.500 0.132 0.000 0.728 100 K HN 0.264 nan 8.250 nan 0.000 0.448 101 R N 1.813 122.337 120.500 0.040 0.000 2.083 101 R HA -0.088 4.252 4.340 -0.000 0.000 0.237 101 R C 2.066 178.377 176.300 0.019 0.000 1.137 101 R CA 1.982 58.097 56.100 0.024 0.000 0.951 101 R CB -0.821 29.483 30.300 0.006 0.000 0.851 101 R HN 0.118 nan 8.270 nan 0.000 0.434 102 A N 0.384 123.200 122.820 -0.005 0.000 1.902 102 A HA 0.018 4.338 4.320 -0.000 0.000 0.217 102 A C 2.447 180.038 177.584 0.011 0.000 1.181 102 A CA 1.801 53.822 52.037 -0.026 0.000 0.623 102 A CB -1.163 17.787 19.000 -0.085 0.000 0.818 102 A HN 0.553 nan 8.150 nan 0.000 0.443 103 A N 0.012 122.869 122.820 0.062 0.000 1.858 103 A HA 0.117 4.436 4.320 -0.000 0.000 0.216 103 A C 2.553 180.276 177.584 0.230 0.000 1.190 103 A CA 2.358 54.522 52.037 0.211 0.000 0.617 103 A CB -1.208 17.964 19.000 0.287 0.000 0.827 103 A HN 1.125 nan 8.150 nan 0.000 0.443 104 A N -0.509 122.400 122.820 0.147 0.000 1.892 104 A HA -0.257 4.063 4.320 -0.000 0.000 0.218 104 A C 2.062 179.704 177.584 0.096 0.000 1.188 104 A CA 2.049 54.155 52.037 0.116 0.000 0.631 104 A CB -0.666 18.380 19.000 0.076 0.000 0.822 104 A HN 0.682 nan 8.150 nan 0.000 0.447 105 E N -0.510 119.731 120.200 0.069 0.000 2.077 105 E HA -0.128 4.222 4.350 -0.000 0.000 0.193 105 E C 1.910 178.547 176.600 0.060 0.000 0.989 105 E CA 1.385 57.812 56.400 0.045 0.000 0.800 105 E CB -0.101 29.610 29.700 0.019 0.000 0.746 105 E HN 0.348 nan 8.360 nan 0.000 0.452 106 V N 1.831 121.805 119.914 0.101 0.000 2.358 106 V HA -0.214 3.906 4.120 -0.000 0.000 0.246 106 V C 1.922 178.157 176.094 0.236 0.000 1.047 106 V CA 1.544 63.932 62.300 0.148 0.000 1.035 106 V CB -0.519 31.400 31.823 0.159 0.000 0.658 106 V HN 0.315 nan 8.190 nan 0.000 0.452 107 N N 0.088 118.976 118.700 0.313 0.000 2.585 107 N HA -0.143 4.596 4.740 -0.000 0.000 0.188 107 N C 1.800 177.402 175.510 0.153 0.000 1.102 107 N CA 0.771 54.017 53.050 0.327 0.000 0.920 107 N CB -0.161 38.479 38.487 0.254 0.000 0.963 107 N HN 0.624 nan 8.380 nan 0.000 0.447 108 Q N 0.026 119.864 119.800 0.064 0.000 2.364 108 Q HA -0.088 4.252 4.340 -0.000 0.000 0.207 108 Q C 0.474 176.428 176.000 -0.077 0.000 0.970 108 Q CA 0.780 56.583 55.803 -0.000 0.000 0.888 108 Q CB 0.128 28.861 28.738 -0.008 0.000 0.951 108 Q HN 0.303 nan 8.270 nan 0.000 0.469 109 D N -0.742 119.541 120.400 -0.196 0.000 2.317 109 D HA -0.093 4.547 4.640 -0.000 0.000 0.211 109 D C 0.165 176.151 176.300 -0.523 0.000 0.966 109 D CA 0.999 54.731 54.000 -0.447 0.000 0.876 109 D CB 0.168 40.500 40.800 -0.780 0.000 0.927 109 D HN 0.320 nan 8.370 nan 0.000 0.519 110 Y N -1.020 119.307 120.300 0.046 0.000 2.716 110 Y HA 0.458 5.008 4.550 -0.000 0.000 0.260 110 Y C 1.564 177.473 175.900 0.015 0.000 1.141 110 Y CA -0.345 57.772 58.100 0.027 0.000 1.168 110 Y CB 0.965 39.436 38.460 0.019 0.000 1.189 110 Y HN -0.014 nan 8.280 nan 0.000 0.549 111 G N -0.142 108.713 108.800 0.093 0.000 2.201 111 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.212 111 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.212 111 G C -0.242 174.695 174.900 0.060 0.000 0.994 111 G CA -0.431 44.709 45.100 0.068 0.000 0.644 111 G HN 0.171 nan 8.290 nan 0.000 0.508 112 L N 2.412 123.677 121.223 0.070 0.000 2.477 112 L HA 0.513 4.853 4.340 -0.000 0.000 0.272 112 L C 0.477 177.348 176.870 0.002 0.000 1.157 112 L CA -0.509 54.360 54.840 0.048 0.000 0.889 112 L CB 0.611 42.711 42.059 0.069 0.000 1.158 112 L HN 0.263 nan 8.230 nan 0.000 0.473 113 D N 7.007 127.387 120.400 -0.034 0.000 2.472 113 D HA 0.037 4.677 4.640 -0.000 0.000 0.248 113 D C -1.704 174.570 176.300 -0.044 0.000 1.174 113 D CA -1.138 52.836 54.000 -0.044 0.000 0.883 113 D CB 1.200 41.957 40.800 -0.072 0.000 1.149 113 D HN 0.392 nan 8.370 nan 0.000 0.488 114 P HA -0.200 nan 4.420 nan 0.000 0.217 114 P C 1.267 178.550 177.300 -0.028 0.000 1.148 114 P CA 0.886 63.973 63.100 -0.023 0.000 0.828 114 P CB 0.166 31.855 31.700 -0.018 0.000 0.783 115 K N -0.458 119.921 120.400 -0.035 0.000 2.002 115 K HA -0.118 4.202 4.320 -0.000 0.000 0.209 115 K C 2.015 178.587 176.600 -0.048 0.000 1.048 115 K CA 1.330 57.595 56.287 -0.036 0.000 0.930 115 K CB -1.355 31.124 32.500 -0.035 0.000 0.714 115 K HN -0.033 nan 8.250 nan 0.000 0.438 116 I N 1.081 121.605 120.570 -0.077 0.000 2.142 116 I HA -0.068 4.102 4.170 -0.000 0.000 0.240 116 I C 2.752 178.830 176.117 -0.065 0.000 1.078 116 I CA 1.741 62.976 61.300 -0.109 0.000 1.343 116 I CB -1.940 35.911 38.000 -0.248 0.000 1.046 116 I HN 0.378 nan 8.210 nan 0.000 0.405 117 A N 1.215 124.007 122.820 -0.047 0.000 1.892 117 A HA -0.302 4.018 4.320 -0.000 0.000 0.218 117 A C 2.263 179.844 177.584 -0.004 0.000 1.188 117 A CA 2.302 54.334 52.037 -0.008 0.000 0.631 117 A CB -1.235 17.767 19.000 0.004 0.000 0.822 117 A HN 0.605 nan 8.150 nan 0.000 0.447 118 N N 0.303 118.995 118.700 -0.013 0.000 2.061 118 N HA -0.189 4.551 4.740 -0.000 0.000 0.193 118 N C 1.908 177.410 175.510 -0.014 0.000 1.030 118 N CA 1.815 54.858 53.050 -0.012 0.000 0.856 118 N CB -0.260 38.218 38.487 -0.015 0.000 1.023 118 N HN 0.395 nan 8.380 nan 0.000 0.424 119 A N 1.108 123.916 122.820 -0.020 0.000 1.930 119 A HA -0.002 4.318 4.320 -0.000 0.000 0.217 119 A C 2.309 179.881 177.584 -0.020 0.000 1.175 119 A CA 0.649 52.672 52.037 -0.023 0.000 0.627 119 A CB -0.463 18.520 19.000 -0.028 0.000 0.815 119 A HN 0.371 nan 8.150 nan 0.000 0.443 120 I N -0.738 119.827 120.570 -0.007 0.000 2.226 120 I HA -0.307 3.863 4.170 -0.000 0.000 0.245 120 I C 2.677 178.801 176.117 0.012 0.000 1.100 120 I CA 1.507 62.814 61.300 0.011 0.000 1.374 120 I CB -0.337 37.686 38.000 0.038 0.000 1.057 120 I HN 0.331 nan 8.210 nan 0.000 0.413 121 M N 0.218 119.824 119.600 0.011 0.000 2.108 121 M HA -0.246 4.234 4.480 -0.000 0.000 0.261 121 M C 2.271 178.571 176.300 -0.001 0.000 1.066 121 M CA 1.920 57.226 55.300 0.009 0.000 1.107 121 M CB -0.398 32.206 32.600 0.007 0.000 1.356 121 M HN 0.100 nan 8.290 nan 0.000 0.406 122 K N 0.203 120.597 120.400 -0.011 0.000 2.025 122 K HA -0.065 4.255 4.320 -0.000 0.000 0.207 122 K C 2.172 178.755 176.600 -0.028 0.000 1.049 122 K CA 1.466 57.742 56.287 -0.019 0.000 0.933 122 K CB -0.329 32.156 32.500 -0.024 0.000 0.714 122 K HN 0.291 nan 8.250 nan 0.000 0.438 123 A N 1.588 124.382 122.820 -0.043 0.000 1.933 123 A HA -0.128 4.192 4.320 -0.000 0.000 0.218 123 A C 2.363 179.929 177.584 -0.030 0.000 1.175 123 A CA 1.891 53.885 52.037 -0.071 0.000 0.628 123 A CB -0.653 18.288 19.000 -0.098 0.000 0.814 123 A HN 0.350 nan 8.150 nan 0.000 0.444 124 A N -0.054 122.766 122.820 -0.000 0.000 1.898 124 A HA -0.149 4.171 4.320 -0.000 0.000 0.216 124 A C 1.759 179.354 177.584 0.019 0.000 1.181 124 A CA 1.802 53.855 52.037 0.026 0.000 0.620 124 A CB -0.558 18.464 19.000 0.036 0.000 0.819 124 A HN 0.437 nan 8.150 nan 0.000 0.442 125 D N -0.041 120.363 120.400 0.007 0.000 2.123 125 D HA -0.148 4.492 4.640 -0.000 0.000 0.196 125 D C 1.906 178.211 176.300 0.009 0.000 0.992 125 D CA 1.478 55.480 54.000 0.005 0.000 0.833 125 D CB -0.381 40.419 40.800 0.000 0.000 0.954 125 D HN 0.646 nan 8.370 nan 0.000 0.455 126 E N 0.075 120.277 120.200 0.003 0.000 2.110 126 E HA -0.117 4.233 4.350 -0.000 0.000 0.193 126 E C 2.269 178.894 176.600 0.042 0.000 0.988 126 E CA 0.582 56.990 56.400 0.012 0.000 0.804 126 E CB 0.127 29.816 29.700 -0.017 0.000 0.745 126 E HN 0.108 nan 8.360 nan 0.000 0.458 127 V N 1.429 121.374 119.914 0.052 0.000 2.261 127 V HA -0.266 3.854 4.120 -0.000 0.000 0.246 127 V C 2.368 178.475 176.094 0.022 0.000 1.047 127 V CA 1.889 64.236 62.300 0.079 0.000 1.015 127 V CB -0.744 31.143 31.823 0.106 0.000 0.642 127 V HN 0.316 nan 8.190 nan 0.000 0.446 128 A N -0.512 122.316 122.820 0.013 0.000 2.024 128 A HA -0.235 4.085 4.320 -0.000 0.000 0.220 128 A C 2.010 179.596 177.584 0.005 0.000 1.164 128 A CA 1.845 53.881 52.037 -0.001 0.000 0.643 128 A CB -0.444 18.555 19.000 -0.002 0.000 0.806 128 A HN 0.661 nan 8.150 nan 0.000 0.451 129 E N -1.553 118.657 120.200 0.016 0.000 2.479 129 E HA 0.305 4.655 4.350 -0.000 0.000 0.193 129 E C 0.959 177.577 176.600 0.031 0.000 1.049 129 E CA 0.260 56.673 56.400 0.021 0.000 0.870 129 E CB -0.034 29.679 29.700 0.021 0.000 0.944 129 E HN 0.699 nan 8.360 nan 0.000 0.492 130 G N 2.005 110.827 108.800 0.036 0.000 2.160 130 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.244 130 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.244 130 G C 0.740 175.688 174.900 0.080 0.000 1.022 130 G CA 0.460 45.591 45.100 0.051 0.000 0.741 130 G HN 0.238 nan 8.290 nan 0.000 0.508 131 K N -0.778 119.677 120.400 0.091 0.000 2.379 131 K HA 0.345 4.665 4.320 -0.000 0.000 0.194 131 K C 1.590 178.295 176.600 0.175 0.000 1.031 131 K CA 0.410 56.761 56.287 0.107 0.000 1.037 131 K CB 0.393 32.939 32.500 0.075 0.000 0.824 131 K HN 0.486 nan 8.250 nan 0.000 0.516 132 L N 0.944 122.310 121.223 0.239 0.000 3.229 132 L HA 0.151 4.491 4.340 -0.000 0.000 0.286 132 L C 0.612 177.817 176.870 0.558 0.000 1.239 132 L CA -0.247 54.840 54.840 0.413 0.000 1.035 132 L CB 0.237 42.484 42.059 0.314 0.000 1.408 132 L HN -0.019 nan 8.230 nan 0.000 0.593 133 N N 0.748 119.668 118.700 0.366 0.000 2.192 133 N HA -0.199 4.541 4.740 -0.000 0.000 0.188 133 N C 1.031 176.747 175.510 0.343 0.000 1.013 133 N CA 1.405 54.662 53.050 0.344 0.000 0.863 133 N CB -0.006 38.581 38.487 0.167 0.000 0.990 133 N HN 0.295 nan 8.380 nan 0.000 0.430 134 D N -0.280 120.229 120.400 0.183 0.000 2.371 134 D HA -0.064 4.576 4.640 -0.000 0.000 0.221 134 D C 0.694 176.883 176.300 -0.185 0.000 0.986 134 D CA 0.688 54.663 54.000 -0.042 0.000 0.899 134 D CB -0.160 40.518 40.800 -0.204 0.000 0.902 134 D HN 0.504 nan 8.370 nan 0.000 0.530 135 H N -1.038 118.099 119.070 0.112 0.000 2.505 135 H HA 0.149 4.705 4.556 -0.000 0.000 0.289 135 H C -0.325 174.774 175.328 -0.382 0.000 1.052 135 H CA -0.003 56.018 56.048 -0.046 0.000 1.156 135 H CB -0.074 29.590 29.762 -0.163 0.000 1.507 135 H HN 0.047 nan 8.280 nan 0.000 0.548 136 F N 2.253 122.323 119.950 0.201 0.000 2.552 136 F HA 0.275 4.802 4.527 -0.000 0.000 0.369 136 F C -1.869 173.938 175.800 0.010 0.000 1.112 136 F CA -2.057 55.987 58.000 0.074 0.000 1.129 136 F CB 1.831 40.859 39.000 0.046 0.000 1.360 136 F HN -0.058 nan 8.300 nan 0.000 0.473 137 P HA 0.089 nan 4.420 nan 0.000 0.255 137 P C -0.025 177.266 177.300 -0.016 0.000 1.248 137 P CA 0.553 63.642 63.100 -0.019 0.000 0.807 137 P CB 0.714 32.327 31.700 -0.146 0.000 1.150 138 L N 0.921 122.140 121.223 -0.006 0.000 2.375 138 L HA 0.293 4.633 4.340 -0.000 0.000 0.271 138 L C 1.059 177.915 176.870 -0.024 0.000 1.107 138 L CA -1.174 53.651 54.840 -0.025 0.000 0.806 138 L CB 1.337 43.362 42.059 -0.056 0.000 1.146 138 L HN -0.215 nan 8.230 nan 0.000 0.447 139 V N 0.775 120.671 119.914 -0.029 0.000 3.036 139 V HA 0.194 4.314 4.120 -0.000 0.000 0.308 139 V C 1.203 177.149 176.094 -0.248 0.000 1.070 139 V CA -0.673 61.587 62.300 -0.067 0.000 1.056 139 V CB 1.569 33.444 31.823 0.085 0.000 1.084 139 V HN 0.581 nan 8.190 nan 0.000 0.471 140 V N 1.034 120.664 119.914 -0.473 0.000 2.453 140 V HA -0.186 3.934 4.120 -0.000 0.000 0.252 140 V C 1.295 176.844 176.094 -0.909 0.000 1.068 140 V CA 2.065 63.873 62.300 -0.818 0.000 1.070 140 V CB -0.884 30.227 31.823 -1.188 0.000 0.664 140 V HN 0.990 nan 8.190 nan 0.000 0.461 141 W N 1.708 122.969 121.300 -0.066 0.000 1.694 141 W HA 0.401 5.061 4.660 -0.000 0.000 0.425 141 W C 0.947 177.395 176.519 -0.118 0.000 0.615 141 W CA -0.705 56.605 57.345 -0.057 0.000 2.237 141 W CB -0.725 28.741 29.460 0.010 0.000 1.478 141 W HN 0.403 nan 8.180 nan 0.000 0.427 142 Q N -0.623 118.993 119.800 -0.305 0.000 3.018 142 Q HA 0.544 4.884 4.340 -0.000 0.000 0.209 142 Q C 0.562 176.188 176.000 -0.623 0.000 1.036 142 Q CA -0.931 54.370 55.803 -0.836 0.000 0.886 142 Q CB -0.168 28.083 28.738 -0.812 0.000 2.058 142 Q HN 0.041 nan 8.270 nan 0.000 0.452 143 T N -2.044 112.107 114.554 -0.671 0.000 2.937 143 T HA 0.149 4.499 4.350 -0.000 0.000 0.316 143 T C 1.155 175.668 174.700 -0.311 0.000 1.079 143 T CA -0.097 61.816 62.100 -0.313 0.000 1.131 143 T CB 0.462 69.204 68.868 -0.209 0.000 1.000 143 T HN 0.757 nan 8.240 nan 0.000 0.549 144 G N 0.525 109.185 108.800 -0.234 0.000 2.598 144 G HA2 -0.068 3.892 3.960 -0.000 0.000 0.215 144 G HA3 -0.068 3.892 3.960 -0.000 0.000 0.215 144 G C 1.516 176.270 174.900 -0.244 0.000 1.131 144 G CA 0.382 45.326 45.100 -0.260 0.000 0.785 144 G HN 0.935 nan 8.290 nan 0.000 0.539 145 S N -0.641 114.929 115.700 -0.216 0.000 2.593 145 S HA 0.336 4.806 4.470 -0.000 0.000 0.217 145 S C 1.832 176.182 174.600 -0.416 0.000 0.966 145 S CA 0.851 58.932 58.200 -0.198 0.000 0.914 145 S CB -0.084 63.079 63.200 -0.061 0.000 0.776 145 S HN 1.340 nan 8.310 nan 0.000 0.523 146 G N 1.231 109.662 108.800 -0.614 0.000 2.225 146 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.267 146 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.267 146 G C 0.636 175.402 174.900 -0.224 0.000 1.024 146 G CA 0.686 45.353 45.100 -0.722 0.000 0.784 146 G HN 0.562 nan 8.290 nan 0.000 0.507 147 T N -0.368 114.093 114.554 -0.155 0.000 2.833 147 T HA -0.109 4.241 4.350 -0.000 0.000 0.269 147 T C 2.256 176.926 174.700 -0.049 0.000 1.054 147 T CA 1.931 64.009 62.100 -0.038 0.000 1.135 147 T CB -0.099 68.759 68.868 -0.017 0.000 0.869 147 T HN 0.465 nan 8.240 nan 0.000 0.466 148 Q N 0.707 120.433 119.800 -0.124 0.000 2.119 148 Q HA -0.001 4.339 4.340 -0.000 0.000 0.201 148 Q C 2.635 178.579 176.000 -0.094 0.000 0.972 148 Q CA 1.343 57.081 55.803 -0.107 0.000 0.847 148 Q CB -0.794 27.834 28.738 -0.183 0.000 0.903 148 Q HN 0.418 nan 8.270 nan 0.000 0.433 149 T N 0.501 114.990 114.554 -0.108 0.000 2.777 149 T HA -0.145 4.205 4.350 -0.000 0.000 0.266 149 T C 1.572 176.089 174.700 -0.304 0.000 1.040 149 T CA 1.349 63.369 62.100 -0.134 0.000 1.141 149 T CB -0.354 68.484 68.868 -0.049 0.000 0.868 149 T HN 0.299 nan 8.240 nan 0.000 0.444 150 N N 0.984 119.560 118.700 -0.206 0.000 2.069 150 N HA -0.053 4.686 4.740 -0.000 0.000 0.191 150 N C 1.821 177.289 175.510 -0.070 0.000 1.031 150 N CA 1.557 54.510 53.050 -0.162 0.000 0.852 150 N CB -0.308 38.278 38.487 0.165 0.000 1.018 150 N HN 0.357 nan 8.380 nan 0.000 0.423 151 M N -0.101 119.485 119.600 -0.025 0.000 2.080 151 M HA -0.162 4.318 4.480 -0.000 0.000 0.260 151 M C 2.098 178.396 176.300 -0.003 0.000 1.068 151 M CA 1.532 56.834 55.300 0.003 0.000 1.109 151 M CB -0.491 32.116 32.600 0.012 0.000 1.342 151 M HN 0.329 nan 8.290 nan 0.000 0.405 152 N N -0.097 118.590 118.700 -0.021 0.000 2.061 152 N HA -0.177 4.563 4.740 -0.000 0.000 0.193 152 N C 1.441 176.993 175.510 0.071 0.000 1.030 152 N CA 1.418 54.471 53.050 0.006 0.000 0.856 152 N CB 0.160 38.679 38.487 0.053 0.000 1.023 152 N HN 0.081 nan 8.380 nan 0.000 0.424 153 V N 1.351 121.322 119.914 0.095 0.000 2.358 153 V HA -0.174 3.946 4.120 -0.000 0.000 0.246 153 V C 1.860 178.016 176.094 0.104 0.000 1.047 153 V CA 1.383 63.786 62.300 0.172 0.000 1.035 153 V CB -0.631 31.144 31.823 -0.079 0.000 0.658 153 V HN 0.426 nan 8.190 nan 0.000 0.452 154 N N 0.215 118.950 118.700 0.059 0.000 2.142 154 N HA -0.151 4.589 4.740 -0.000 0.000 0.186 154 N C 1.842 177.378 175.510 0.043 0.000 1.023 154 N CA 1.403 54.492 53.050 0.065 0.000 0.852 154 N CB -0.244 38.282 38.487 0.065 0.000 0.998 154 N HN 0.594 nan 8.380 nan 0.000 0.424 155 E N 0.480 120.698 120.200 0.031 0.000 2.031 155 E HA -0.110 4.240 4.350 -0.000 0.000 0.193 155 E C 2.027 178.638 176.600 0.019 0.000 0.994 155 E CA 0.966 57.381 56.400 0.025 0.000 0.800 155 E CB -0.057 29.670 29.700 0.046 0.000 0.752 155 E HN 0.043 nan 8.360 nan 0.000 0.447 156 V N 1.492 121.406 119.914 -0.001 0.000 2.255 156 V HA -0.276 3.843 4.120 -0.000 0.000 0.247 156 V C 2.301 178.344 176.094 -0.085 0.000 1.051 156 V CA 1.729 63.995 62.300 -0.056 0.000 1.018 156 V CB -0.384 31.350 31.823 -0.148 0.000 0.641 156 V HN 0.252 nan 8.190 nan 0.000 0.445 157 I N -0.113 120.449 120.570 -0.013 0.000 2.394 157 I HA -0.214 3.956 4.170 -0.000 0.000 0.251 157 I C 2.700 178.797 176.117 -0.033 0.000 1.136 157 I CA 1.584 62.869 61.300 -0.025 0.000 1.425 157 I CB -0.369 37.655 38.000 0.040 0.000 1.079 157 I HN 0.360 nan 8.210 nan 0.000 0.425 158 S N 1.220 116.919 115.700 -0.001 0.000 2.353 158 S HA -0.217 4.253 4.470 -0.000 0.000 0.222 158 S C 1.980 176.574 174.600 -0.011 0.000 1.035 158 S CA 1.871 60.079 58.200 0.013 0.000 1.025 158 S CB -0.262 62.946 63.200 0.013 0.000 0.902 158 S HN 0.412 nan 8.310 nan 0.000 0.440 159 N N 0.982 119.672 118.700 -0.017 0.000 2.142 159 N HA -0.046 4.693 4.740 -0.000 0.000 0.186 159 N C 1.969 177.448 175.510 -0.051 0.000 1.023 159 N CA 1.099 54.163 53.050 0.023 0.000 0.852 159 N CB -0.567 37.992 38.487 0.120 0.000 0.998 159 N HN 0.373 nan 8.380 nan 0.000 0.424 160 R N 1.438 121.753 120.500 -0.309 0.000 2.092 160 R HA 0.079 4.419 4.340 -0.000 0.000 0.231 160 R C 1.923 178.093 176.300 -0.217 0.000 1.119 160 R CA 1.485 57.265 56.100 -0.535 0.000 0.970 160 R CB -0.767 29.047 30.300 -0.809 0.000 0.864 160 R HN 0.165 nan 8.270 nan 0.000 0.440 161 A N 0.457 123.198 122.820 -0.133 0.000 1.902 161 A HA -0.089 4.231 4.320 -0.000 0.000 0.217 161 A C 2.287 179.851 177.584 -0.033 0.000 1.181 161 A CA 1.620 53.618 52.037 -0.065 0.000 0.623 161 A CB -0.601 18.380 19.000 -0.032 0.000 0.818 161 A HN 0.364 nan 8.150 nan 0.000 0.443 162 I N -0.522 120.039 120.570 -0.015 0.000 2.163 162 I HA -0.295 3.875 4.170 -0.000 0.000 0.243 162 I C 2.591 178.713 176.117 0.009 0.000 1.085 162 I CA 1.936 63.240 61.300 0.008 0.000 1.347 162 I CB -0.307 37.708 38.000 0.024 0.000 1.044 162 I HN 0.555 nan 8.210 nan 0.000 0.408 163 E N 1.015 121.223 120.200 0.013 0.000 2.077 163 E HA -0.253 4.097 4.350 -0.000 0.000 0.193 163 E C 2.343 178.947 176.600 0.007 0.000 0.989 163 E CA 1.324 57.741 56.400 0.029 0.000 0.800 163 E CB -0.044 29.705 29.700 0.083 0.000 0.746 163 E HN 0.417 nan 8.360 nan 0.000 0.452 164 M N 0.196 119.785 119.600 -0.018 0.000 2.213 164 M HA -0.142 4.338 4.480 -0.000 0.000 0.263 164 M C 2.021 178.314 176.300 -0.011 0.000 1.062 164 M CA 1.153 56.441 55.300 -0.019 0.000 1.105 164 M CB -0.006 32.573 32.600 -0.035 0.000 1.385 164 M HN 0.171 nan 8.290 nan 0.000 0.417 165 L N -0.728 120.490 121.223 -0.009 0.000 2.554 165 L HA 0.155 4.495 4.340 -0.000 0.000 0.226 165 L C 1.258 178.129 176.870 0.001 0.000 1.137 165 L CA 0.238 55.075 54.840 -0.005 0.000 0.863 165 L CB -0.380 41.675 42.059 -0.007 0.000 0.985 165 L HN 0.611 nan 8.230 nan 0.000 0.451 166 G N -0.016 108.787 108.800 0.005 0.000 2.136 166 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.242 166 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.242 166 G C 0.448 175.355 174.900 0.012 0.000 0.989 166 G CA -0.059 45.046 45.100 0.009 0.000 0.682 166 G HN 0.505 nan 8.290 nan 0.000 0.522 167 G N -1.161 107.648 108.800 0.015 0.000 2.568 167 G HA2 0.835 4.795 3.960 -0.000 0.000 0.293 167 G HA3 0.835 4.795 3.960 -0.000 0.000 0.293 167 G C -0.047 174.866 174.900 0.022 0.000 1.347 167 G CA 0.679 45.791 45.100 0.020 0.000 1.039 167 G HN 1.285 nan 8.290 nan 0.000 0.523 168 E N -0.490 119.725 120.200 0.024 0.000 2.227 168 E HA 0.526 4.876 4.350 -0.000 0.000 0.282 168 E C -0.392 176.222 176.600 0.023 0.000 1.015 168 E CA -0.817 55.595 56.400 0.021 0.000 0.823 168 E CB 1.108 30.821 29.700 0.022 0.000 1.081 168 E HN 0.374 nan 8.360 nan 0.000 0.396 169 L N 2.324 123.557 121.223 0.017 0.000 2.477 169 L HA 0.436 4.776 4.340 -0.000 0.000 0.272 169 L C 1.710 178.583 176.870 0.006 0.000 1.157 169 L CA 2.056 56.906 54.840 0.016 0.000 0.889 169 L CB 0.784 42.840 42.059 -0.004 0.000 1.158 169 L HN 1.100 nan 8.230 nan 0.000 0.473 170 G N 1.434 110.241 108.800 0.011 0.000 2.176 170 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.232 170 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.232 170 G C 0.922 175.835 174.900 0.021 0.000 0.986 170 G CA 0.508 45.615 45.100 0.011 0.000 0.643 170 G HN 0.738 nan 8.290 nan 0.000 0.522 171 S N 0.026 115.740 115.700 0.023 0.000 2.524 171 S HA 0.258 4.728 4.470 -0.000 0.000 0.216 171 S C 1.374 175.988 174.600 0.024 0.000 0.987 171 S CA 1.157 59.377 58.200 0.033 0.000 0.909 171 S CB -0.178 63.045 63.200 0.038 0.000 0.781 171 S HN 0.820 nan 8.310 nan 0.000 0.521 172 K N 0.119 120.516 120.400 -0.005 0.000 3.193 172 K HA -0.160 4.160 4.320 -0.000 0.000 0.294 172 K C -0.679 175.964 176.600 0.071 0.000 1.185 172 K CA 1.067 57.336 56.287 -0.031 0.000 0.866 172 K CB -1.815 30.587 32.500 -0.163 0.000 1.227 172 K HN 0.557 nan 8.250 nan 0.000 0.467 173 I N 0.800 121.413 120.570 0.070 0.000 2.466 173 I HA 0.156 4.326 4.170 -0.000 0.000 0.289 173 I C -1.555 174.601 176.117 0.065 0.000 1.026 173 I CA -2.218 59.134 61.300 0.087 0.000 1.078 173 I CB 2.005 40.048 38.000 0.072 0.000 1.249 173 I HN -0.210 nan 8.210 nan 0.000 0.429 174 P HA 0.055 nan 4.420 nan 0.000 0.249 174 P C 0.014 177.400 177.300 0.144 0.000 1.229 174 P CA 0.427 63.580 63.100 0.087 0.000 0.788 174 P CB 0.366 32.084 31.700 0.032 0.000 1.072 175 V N 2.106 122.112 119.914 0.153 0.000 2.311 175 V HA 0.197 4.317 4.120 -0.000 0.000 0.275 175 V C 0.350 176.613 176.094 0.283 0.000 1.022 175 V CA -0.904 61.547 62.300 0.253 0.000 0.830 175 V CB 0.614 32.503 31.823 0.111 0.000 1.012 175 V HN 0.202 nan 8.190 nan 0.000 0.452 176 H N 8.087 127.342 119.070 0.308 0.000 2.646 176 H HA 0.247 4.803 4.556 -0.000 0.000 0.325 176 H C -1.790 173.557 175.328 0.031 0.000 1.075 176 H CA -1.788 54.282 56.048 0.036 0.000 1.421 176 H CB 2.460 32.099 29.762 -0.204 0.000 1.461 176 H HN 0.334 nan 8.280 nan 0.000 0.525 177 P HA -0.128 nan 4.420 nan 0.000 0.218 177 P C 0.875 178.247 177.300 0.120 0.000 1.149 177 P CA 1.356 64.463 63.100 0.013 0.000 0.817 177 P CB 0.549 32.213 31.700 -0.061 0.000 0.785 178 N N -1.144 117.719 118.700 0.270 0.000 2.428 178 N HA -0.061 4.679 4.740 -0.000 0.000 0.181 178 N C 1.212 176.779 175.510 0.094 0.000 1.028 178 N CA 0.728 53.900 53.050 0.204 0.000 0.877 178 N CB -0.245 38.367 38.487 0.209 0.000 1.064 178 N HN -0.224 nan 8.380 nan 0.000 0.434 179 D N -1.173 119.229 120.400 0.003 0.000 2.178 179 D HA -0.053 4.587 4.640 -0.000 0.000 0.202 179 D C 1.092 177.247 176.300 -0.241 0.000 0.974 179 D CA 1.329 55.140 54.000 -0.315 0.000 0.841 179 D CB -0.011 40.366 40.800 -0.704 0.000 0.953 179 D HN 0.555 nan 8.370 nan 0.000 0.478 180 H N -1.216 117.911 119.070 0.095 0.000 2.348 180 H HA 0.166 4.722 4.556 -0.000 0.000 0.306 180 H C 2.103 177.477 175.328 0.078 0.000 1.034 180 H CA 0.201 56.294 56.048 0.075 0.000 1.395 180 H CB 0.188 30.000 29.762 0.082 0.000 1.495 180 H HN -0.158 nan 8.280 nan 0.000 0.616 181 V N 1.213 121.252 119.914 0.208 0.000 2.407 181 V HA -0.201 3.919 4.120 -0.000 0.000 0.248 181 V C 1.361 177.535 176.094 0.134 0.000 1.055 181 V CA 1.899 64.290 62.300 0.151 0.000 1.049 181 V CB -0.411 31.487 31.823 0.124 0.000 0.662 181 V HN 0.382 nan 8.190 nan 0.000 0.455 182 N N -0.125 118.643 118.700 0.114 0.000 2.268 182 N HA 0.048 4.788 4.740 -0.000 0.000 0.204 182 N C 0.615 176.147 175.510 0.036 0.000 1.124 182 N CA 0.014 53.118 53.050 0.091 0.000 0.838 182 N CB -0.113 38.424 38.487 0.084 0.000 0.994 182 N HN 0.398 nan 8.380 nan 0.000 0.489 183 K N 0.557 120.974 120.400 0.029 0.000 2.453 183 K HA -0.045 4.275 4.320 -0.000 0.000 0.280 183 K C -0.042 176.435 176.600 -0.204 0.000 1.045 183 K CA 0.734 56.992 56.287 -0.049 0.000 1.059 183 K CB 0.087 32.596 32.500 0.015 0.000 0.901 183 K HN 0.210 nan 8.250 nan 0.000 0.475 184 S N 1.265 116.779 115.700 -0.309 0.000 3.018 184 S HA -0.181 4.289 4.470 -0.000 0.000 0.274 184 S C -0.451 173.896 174.600 -0.421 0.000 1.300 184 S CA 1.017 58.860 58.200 -0.595 0.000 1.179 184 S CB -1.123 61.214 63.200 -1.438 0.000 1.427 184 S HN 0.830 nan 8.310 nan 0.000 0.668 185 Q N 0.273 119.979 119.800 -0.157 0.000 2.297 185 Q HA 0.760 5.100 4.340 -0.000 0.000 0.268 185 Q C -0.314 175.694 176.000 0.013 0.000 1.045 185 Q CA -0.374 55.429 55.803 -0.000 0.000 0.861 185 Q CB 2.045 30.836 28.738 0.089 0.000 1.344 185 Q HN 0.205 nan 8.270 nan 0.000 0.452 186 S N -0.503 115.227 115.700 0.050 0.000 2.607 186 S HA 0.551 5.021 4.470 -0.000 0.000 0.303 186 S C 0.791 175.449 174.600 0.098 0.000 1.086 186 S CA 0.176 58.410 58.200 0.058 0.000 0.995 186 S CB 1.218 64.445 63.200 0.045 0.000 1.084 186 S HN 0.809 nan 8.310 nan 0.000 0.507 187 S N 2.433 118.192 115.700 0.099 0.000 2.419 187 S HA -0.117 4.353 4.470 -0.000 0.000 0.235 187 S C 1.437 176.119 174.600 0.137 0.000 1.019 187 S CA 1.629 59.908 58.200 0.131 0.000 0.982 187 S CB -0.642 62.614 63.200 0.093 0.000 0.789 187 S HN 0.727 nan 8.310 nan 0.000 0.490 188 N N 1.503 120.263 118.700 0.100 0.000 2.376 188 N HA -0.003 4.737 4.740 -0.000 0.000 0.177 188 N C 1.082 176.649 175.510 0.095 0.000 1.024 188 N CA 1.327 54.434 53.050 0.095 0.000 0.893 188 N CB -0.008 38.523 38.487 0.073 0.000 0.980 188 N HN 0.788 nan 8.380 nan 0.000 0.439 189 D N -1.121 119.325 120.400 0.076 0.000 2.392 189 D HA -0.004 4.636 4.640 -0.000 0.000 0.206 189 D C 1.534 177.845 176.300 0.019 0.000 1.046 189 D CA 0.690 54.716 54.000 0.043 0.000 0.865 189 D CB -0.694 40.123 40.800 0.028 0.000 0.969 189 D HN 0.202 nan 8.370 nan 0.000 0.509 190 T N -2.032 112.557 114.554 0.059 0.000 2.851 190 T HA -0.034 4.316 4.350 -0.000 0.000 0.262 190 T C 1.873 176.474 174.700 -0.166 0.000 1.043 190 T CA 0.358 62.453 62.100 -0.009 0.000 1.140 190 T CB -0.994 67.968 68.868 0.157 0.000 0.872 190 T HN 0.073 nan 8.240 nan 0.000 0.446 191 F N 3.602 123.517 119.950 -0.060 0.000 2.134 191 F HA 0.114 4.641 4.527 -0.000 0.000 0.299 191 F C -0.930 174.728 175.800 -0.238 0.000 1.097 191 F CA 0.669 58.610 58.000 -0.098 0.000 1.264 191 F CB -0.809 38.244 39.000 0.087 0.000 1.001 191 F HN 0.174 nan 8.300 nan 0.000 0.479 192 P HA -0.130 nan 4.420 nan 0.000 0.216 192 P C 1.619 178.701 177.300 -0.364 0.000 1.150 192 P CA 2.248 65.238 63.100 -0.183 0.000 0.837 192 P CB -0.259 31.444 31.700 0.004 0.000 0.786 193 T N -0.370 113.998 114.554 -0.310 0.000 2.708 193 T HA -0.151 4.199 4.350 -0.000 0.000 0.266 193 T C 1.931 176.369 174.700 -0.437 0.000 1.037 193 T CA 1.769 63.674 62.100 -0.324 0.000 1.146 193 T CB -1.026 67.677 68.868 -0.276 0.000 0.865 193 T HN 0.049 nan 8.240 nan 0.000 0.435 194 A N 1.502 123.914 122.820 -0.680 0.000 1.933 194 A HA -0.081 4.239 4.320 -0.000 0.000 0.218 194 A C 2.360 179.611 177.584 -0.555 0.000 1.175 194 A CA 1.549 53.103 52.037 -0.806 0.000 0.628 194 A CB -0.724 17.307 19.000 -1.615 0.000 0.814 194 A HN 0.459 nan 8.150 nan 0.000 0.444 195 M N -1.394 117.866 119.600 -0.567 0.000 2.073 195 M HA -0.224 4.256 4.480 -0.000 0.000 0.258 195 M C 2.170 178.441 176.300 -0.048 0.000 1.070 195 M CA 2.062 57.172 55.300 -0.316 0.000 1.103 195 M CB -0.844 31.588 32.600 -0.280 0.000 1.321 195 M HN 0.598 nan 8.290 nan 0.000 0.405 196 H N -0.269 118.714 119.070 -0.146 0.000 2.389 196 H HA -0.049 4.507 4.556 -0.000 0.000 0.299 196 H C 2.164 177.532 175.328 0.067 0.000 1.081 196 H CA 1.110 57.148 56.048 -0.017 0.000 1.345 196 H CB 0.046 29.834 29.762 0.043 0.000 1.393 196 H HN 0.325 nan 8.280 nan 0.000 0.520 197 I N 0.826 121.408 120.570 0.020 0.000 2.163 197 I HA -0.273 3.897 4.170 -0.000 0.000 0.243 197 I C 2.831 178.986 176.117 0.064 0.000 1.085 197 I CA 0.985 62.262 61.300 -0.037 0.000 1.347 197 I CB -0.253 37.544 38.000 -0.339 0.000 1.044 197 I HN 0.264 nan 8.210 nan 0.000 0.408 198 A N 0.671 123.472 122.820 -0.032 0.000 1.877 198 A HA -0.147 4.172 4.320 -0.000 0.000 0.216 198 A C 2.550 180.154 177.584 0.034 0.000 1.186 198 A CA 1.877 53.903 52.037 -0.018 0.000 0.620 198 A CB -0.929 18.024 19.000 -0.077 0.000 0.822 198 A HN 0.424 nan 8.150 nan 0.000 0.443 199 A N -0.102 122.743 122.820 0.042 0.000 1.877 199 A HA 0.143 4.463 4.320 -0.000 0.000 0.216 199 A C 2.538 180.155 177.584 0.056 0.000 1.186 199 A CA 2.261 54.320 52.037 0.037 0.000 0.620 199 A CB -1.121 17.891 19.000 0.021 0.000 0.822 199 A HN 1.082 nan 8.150 nan 0.000 0.443 200 A N -0.110 122.776 122.820 0.109 0.000 1.877 200 A HA -0.098 4.222 4.320 -0.000 0.000 0.216 200 A C 2.144 179.876 177.584 0.247 0.000 1.186 200 A CA 1.581 53.713 52.037 0.158 0.000 0.620 200 A CB -0.633 18.499 19.000 0.220 0.000 0.822 200 A HN 0.505 nan 8.150 nan 0.000 0.443 201 I N -0.946 119.744 120.570 0.200 0.000 2.226 201 I HA -0.229 3.941 4.170 -0.000 0.000 0.245 201 I C 2.563 178.759 176.117 0.131 0.000 1.100 201 I CA 1.771 63.165 61.300 0.158 0.000 1.374 201 I CB -0.298 37.769 38.000 0.112 0.000 1.057 201 I HN 0.343 nan 8.210 nan 0.000 0.413 202 E N 0.706 120.961 120.200 0.092 0.000 2.110 202 E HA -0.152 4.198 4.350 -0.000 0.000 0.193 202 E C 2.150 178.778 176.600 0.048 0.000 0.988 202 E CA 1.043 57.480 56.400 0.060 0.000 0.804 202 E CB -0.074 29.651 29.700 0.041 0.000 0.745 202 E HN 0.219 nan 8.360 nan 0.000 0.458 203 V N 0.628 120.567 119.914 0.041 0.000 2.295 203 V HA -0.264 3.856 4.120 -0.000 0.000 0.246 203 V C 2.168 178.217 176.094 -0.074 0.000 1.049 203 V CA 2.116 64.393 62.300 -0.038 0.000 1.024 203 V CB -0.583 31.186 31.823 -0.091 0.000 0.648 203 V HN 0.449 nan 8.190 nan 0.000 0.447 204 H N -0.220 118.856 119.070 0.010 0.000 2.428 204 H HA -0.022 4.534 4.556 -0.000 0.000 0.296 204 H C 2.183 177.521 175.328 0.016 0.000 1.062 204 H CA 1.542 57.599 56.048 0.015 0.000 1.350 204 H CB 0.343 30.119 29.762 0.024 0.000 1.403 204 H HN 0.565 nan 8.280 nan 0.000 0.533 205 E N 0.095 120.373 120.200 0.130 0.000 2.364 205 E HA 0.021 4.371 4.350 -0.000 0.000 0.196 205 E C 1.599 178.230 176.600 0.052 0.000 0.990 205 E CA 0.249 56.699 56.400 0.083 0.000 0.886 205 E CB 0.866 30.610 29.700 0.074 0.000 0.866 205 E HN 0.136 nan 8.360 nan 0.000 0.493 206 V N 0.196 120.134 119.914 0.040 0.000 3.054 206 V HA -0.046 4.074 4.120 -0.000 0.000 0.227 206 V C 1.702 177.805 176.094 0.014 0.000 1.252 206 V CA 0.209 62.526 62.300 0.028 0.000 1.279 206 V CB -0.009 31.832 31.823 0.031 0.000 1.118 206 V HN 0.098 nan 8.190 nan 0.000 0.504 207 L N 0.287 121.510 121.223 -0.000 0.000 2.023 207 L HA 0.044 4.384 4.340 -0.000 0.000 0.205 207 L C 2.136 178.992 176.870 -0.023 0.000 1.073 207 L CA 1.994 56.825 54.840 -0.015 0.000 0.745 207 L CB -0.598 41.442 42.059 -0.031 0.000 0.900 207 L HN 0.199 nan 8.230 nan 0.000 0.435 208 L N -0.373 120.821 121.223 -0.048 0.000 2.056 208 L HA -0.099 4.241 4.340 -0.000 0.000 0.207 208 L C -0.217 176.641 176.870 -0.021 0.000 1.078 208 L CA 1.033 55.839 54.840 -0.056 0.000 0.749 208 L CB -1.782 40.206 42.059 -0.118 0.000 0.901 208 L HN 0.262 nan 8.230 nan 0.000 0.433 209 P HA -0.106 nan 4.420 nan 0.000 0.218 209 P C 1.564 178.881 177.300 0.027 0.000 1.149 209 P CA 1.514 64.623 63.100 0.015 0.000 0.817 209 P CB -0.135 31.579 31.700 0.024 0.000 0.785 210 G N -0.118 108.698 108.800 0.027 0.000 2.404 210 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.215 210 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.215 210 G C 1.481 176.413 174.900 0.053 0.000 1.174 210 G CA 0.453 45.577 45.100 0.040 0.000 0.780 210 G HN 0.212 nan 8.290 nan 0.000 0.537 211 L N -0.157 121.090 121.223 0.040 0.000 2.046 211 L HA -0.099 4.241 4.340 -0.000 0.000 0.208 211 L C 2.937 179.859 176.870 0.086 0.000 1.077 211 L CA 1.359 56.233 54.840 0.057 0.000 0.747 211 L CB -0.382 41.696 42.059 0.031 0.000 0.896 211 L HN 0.238 nan 8.230 nan 0.000 0.432 212 Q N 0.753 120.586 119.800 0.055 0.000 2.061 212 Q HA -0.234 4.106 4.340 -0.000 0.000 0.204 212 Q C 2.101 178.169 176.000 0.113 0.000 0.984 212 Q CA 1.836 57.677 55.803 0.062 0.000 0.846 212 Q CB -0.026 28.723 28.738 0.019 0.000 0.902 212 Q HN 0.295 nan 8.270 nan 0.000 0.421 213 K N -0.545 119.905 120.400 0.084 0.000 2.057 213 K HA -0.147 4.173 4.320 -0.000 0.000 0.207 213 K C 2.003 178.658 176.600 0.092 0.000 1.049 213 K CA 1.285 57.619 56.287 0.077 0.000 0.931 213 K CB -0.317 32.217 32.500 0.057 0.000 0.714 213 K HN 0.213 nan 8.250 nan 0.000 0.440 214 L N 1.041 122.331 121.223 0.112 0.000 2.056 214 L HA -0.191 4.149 4.340 -0.000 0.000 0.207 214 L C 2.420 179.366 176.870 0.126 0.000 1.078 214 L CA 1.822 56.737 54.840 0.126 0.000 0.749 214 L CB -0.714 41.442 42.059 0.162 0.000 0.901 214 L HN 0.317 nan 8.230 nan 0.000 0.433 215 H N -0.283 118.826 119.070 0.065 0.000 2.319 215 H HA -0.198 4.358 4.556 -0.000 0.000 0.297 215 H C 1.535 176.892 175.328 0.050 0.000 1.097 215 H CA 2.321 58.404 56.048 0.058 0.000 1.285 215 H CB -0.052 29.734 29.762 0.041 0.000 1.368 215 H HN 0.414 nan 8.280 nan 0.000 0.495 216 D N 0.484 120.963 120.400 0.132 0.000 2.144 216 D HA -0.049 4.591 4.640 -0.000 0.000 0.200 216 D C 2.337 178.624 176.300 -0.023 0.000 0.978 216 D CA 1.233 55.273 54.000 0.066 0.000 0.833 216 D CB -0.542 40.324 40.800 0.110 0.000 0.961 216 D HN 0.498 nan 8.370 nan 0.000 0.470 217 A N 0.779 123.598 122.820 -0.002 0.000 1.877 217 A HA -0.107 4.212 4.320 -0.000 0.000 0.216 217 A C 2.375 179.950 177.584 -0.015 0.000 1.186 217 A CA 0.892 52.917 52.037 -0.020 0.000 0.620 217 A CB -0.829 18.165 19.000 -0.011 0.000 0.822 217 A HN 0.187 nan 8.150 nan 0.000 0.443 218 L N -0.657 120.583 121.223 0.028 0.000 2.046 218 L HA -0.205 4.135 4.340 -0.000 0.000 0.208 218 L C 2.388 179.278 176.870 0.033 0.000 1.077 218 L CA 1.742 56.661 54.840 0.133 0.000 0.747 218 L CB -0.545 41.609 42.059 0.158 0.000 0.896 218 L HN 0.397 nan 8.230 nan 0.000 0.432 219 D N -0.148 120.176 120.400 -0.127 0.000 2.144 219 D HA -0.145 4.495 4.640 -0.000 0.000 0.200 219 D C 2.156 178.381 176.300 -0.125 0.000 0.978 219 D CA 1.230 55.139 54.000 -0.152 0.000 0.833 219 D CB 0.159 40.812 40.800 -0.246 0.000 0.961 219 D HN 0.248 nan 8.370 nan 0.000 0.470 220 A N 0.701 123.444 122.820 -0.128 0.000 1.883 220 A HA -0.194 4.126 4.320 -0.000 0.000 0.217 220 A C 2.140 179.550 177.584 -0.289 0.000 1.186 220 A CA 1.413 53.352 52.037 -0.164 0.000 0.624 220 A CB -0.413 18.507 19.000 -0.134 0.000 0.822 220 A HN 0.069 nan 8.150 nan 0.000 0.444 221 K N -0.121 120.072 120.400 -0.344 0.000 2.057 221 K HA -0.108 4.211 4.320 -0.000 0.000 0.207 221 K C 2.418 178.520 176.600 -0.830 0.000 1.049 221 K CA 1.351 57.190 56.287 -0.746 0.000 0.931 221 K CB -0.785 31.349 32.500 -0.609 0.000 0.714 221 K HN 0.492 nan 8.250 nan 0.000 0.440 222 S N 1.179 116.680 115.700 -0.331 0.000 2.374 222 S HA -0.194 4.276 4.470 -0.000 0.000 0.227 222 S C 1.869 176.373 174.600 -0.160 0.000 1.037 222 S CA 1.673 59.794 58.200 -0.132 0.000 1.024 222 S CB 0.037 63.239 63.200 0.003 0.000 0.861 222 S HN 0.280 nan 8.310 nan 0.000 0.456 223 K N 0.494 120.780 120.400 -0.190 0.000 2.031 223 K HA -0.027 4.292 4.320 -0.000 0.000 0.205 223 K C 2.372 178.862 176.600 -0.184 0.000 1.049 223 K CA 1.358 57.558 56.287 -0.146 0.000 0.939 223 K CB -0.278 32.150 32.500 -0.121 0.000 0.717 223 K HN 0.487 nan 8.250 nan 0.000 0.438 224 E N 0.017 120.015 120.200 -0.336 0.000 2.097 224 E HA -0.190 4.160 4.350 -0.000 0.000 0.196 224 E C 0.694 177.180 176.600 -0.190 0.000 1.000 224 E CA 1.170 57.348 56.400 -0.370 0.000 0.804 224 E CB 0.080 29.386 29.700 -0.658 0.000 0.740 224 E HN 0.186 nan 8.360 nan 0.000 0.454 225 F N -0.572 119.284 119.950 -0.158 0.000 2.645 225 F HA 0.333 4.860 4.527 -0.000 0.000 0.300 225 F C 1.581 177.326 175.800 -0.091 0.000 1.115 225 F CA -0.021 57.891 58.000 -0.147 0.000 1.355 225 F CB -0.414 38.442 39.000 -0.240 0.000 1.026 225 F HN 0.004 nan 8.300 nan 0.000 0.536 226 A N -0.315 122.545 122.820 0.067 0.000 2.070 226 A HA -0.152 4.168 4.320 -0.000 0.000 0.220 226 A C 1.853 179.459 177.584 0.036 0.000 1.159 226 A CA 1.315 53.374 52.037 0.036 0.000 0.656 226 A CB -0.398 18.602 19.000 -0.000 0.000 0.800 226 A HN 0.471 nan 8.150 nan 0.000 0.453 227 Q N -1.051 118.774 119.800 0.042 0.000 2.194 227 Q HA 0.371 4.711 4.340 -0.000 0.000 0.214 227 Q C -0.757 175.257 176.000 0.023 0.000 0.838 227 Q CA -0.225 55.593 55.803 0.026 0.000 0.972 227 Q CB 0.696 29.445 28.738 0.018 0.000 1.131 227 Q HN 0.599 nan 8.270 nan 0.000 0.498 228 I N 1.892 122.481 120.570 0.031 0.000 2.312 228 I HA 0.195 4.365 4.170 -0.000 0.000 0.291 228 I C -0.259 175.856 176.117 -0.004 0.000 1.031 228 I CA -0.409 60.890 61.300 -0.001 0.000 1.293 228 I CB 0.855 38.829 38.000 -0.044 0.000 1.403 228 I HN 0.029 nan 8.210 nan 0.000 0.484 229 I N 8.122 128.688 120.570 -0.007 0.000 2.312 229 I HA 0.204 4.374 4.170 -0.000 0.000 0.291 229 I C 0.257 176.368 176.117 -0.010 0.000 1.031 229 I CA -0.349 60.949 61.300 -0.004 0.000 1.293 229 I CB 0.331 38.331 38.000 -0.001 0.000 1.403 229 I HN 0.607 nan 8.210 nan 0.000 0.484 230 K N 5.597 125.994 120.400 -0.005 0.000 2.313 230 K HA 0.688 5.008 4.320 -0.000 0.000 0.235 230 K C -0.883 175.719 176.600 0.003 0.000 1.035 230 K CA -1.027 55.258 56.287 -0.004 0.000 0.868 230 K CB 1.977 34.475 32.500 -0.002 0.000 1.232 230 K HN 0.263 nan 8.250 nan 0.000 0.459 231 I N 1.442 122.016 120.570 0.006 0.000 2.365 231 I HA 0.259 4.429 4.170 -0.000 0.000 0.291 231 I C 0.170 176.295 176.117 0.013 0.000 1.004 231 I CA 0.234 61.539 61.300 0.008 0.000 1.311 231 I CB 1.070 39.074 38.000 0.006 0.000 1.401 231 I HN 0.792 nan 8.210 nan 0.000 0.491 232 G N 7.023 115.830 108.800 0.012 0.000 2.483 232 G HA2 0.377 4.337 3.960 -0.000 0.000 0.248 232 G HA3 0.377 4.337 3.960 -0.000 0.000 0.248 232 G C -0.432 174.478 174.900 0.016 0.000 1.248 232 G CA -0.577 44.531 45.100 0.013 0.000 0.838 232 G HN 0.645 nan 8.290 nan 0.000 0.566 233 R N 0.189 120.699 120.500 0.016 0.000 2.513 233 R HA 0.525 4.865 4.340 -0.000 0.000 0.301 233 R C -0.676 175.633 176.300 0.015 0.000 0.968 233 R CA -0.623 55.487 56.100 0.018 0.000 0.872 233 R CB 2.077 32.385 30.300 0.013 0.000 1.177 233 R HN 0.689 nan 8.270 nan 0.000 0.444 234 T N -0.984 113.598 114.554 0.047 0.000 2.881 234 T HA 0.272 4.622 4.350 -0.000 0.000 0.290 234 T C 0.286 175.091 174.700 0.174 0.000 1.000 234 T CA -0.731 61.405 62.100 0.060 0.000 0.978 234 T CB 0.912 69.845 68.868 0.109 0.000 0.997 234 T HN 0.874 nan 8.240 nan 0.000 0.443 235 H N 1.980 121.034 119.070 -0.027 0.000 3.047 235 H HA -0.288 4.268 4.556 -0.000 0.000 0.263 235 H C 1.394 176.699 175.328 -0.039 0.000 1.168 235 H CA 1.784 57.813 56.048 -0.031 0.000 1.152 235 H CB -2.294 27.456 29.762 -0.020 0.000 1.278 235 H HN 1.561 nan 8.280 nan 0.000 0.339 236 T N -3.972 110.603 114.554 0.034 0.000 7.679 236 T HA -0.272 4.078 4.350 -0.000 0.000 0.300 236 T C 0.353 175.068 174.700 0.024 0.000 2.098 236 T CA 1.724 63.824 62.100 0.001 0.000 3.313 236 T CB -0.855 67.997 68.868 -0.028 0.000 1.898 236 T HN 0.512 nan 8.240 nan 0.000 1.144 237 Q N 2.404 122.234 119.800 0.051 0.000 2.293 237 Q HA 0.401 4.741 4.340 -0.000 0.000 0.251 237 Q C -0.069 175.942 176.000 0.018 0.000 0.930 237 Q CA -0.310 55.509 55.803 0.025 0.000 0.893 237 Q CB 0.570 29.317 28.738 0.014 0.000 1.215 237 Q HN 0.560 nan 8.270 nan 0.000 0.425 238 D N 1.088 121.486 120.400 -0.003 0.000 2.533 238 D HA 0.176 4.816 4.640 -0.000 0.000 0.236 238 D C -0.054 176.244 176.300 -0.004 0.000 1.137 238 D CA 0.425 54.421 54.000 -0.007 0.000 0.867 238 D CB 0.693 41.479 40.800 -0.023 0.000 1.170 238 D HN 0.569 nan 8.370 nan 0.000 0.474 239 A N 2.219 125.042 122.820 0.004 0.000 3.969 239 A HA 0.726 5.046 4.320 -0.000 0.000 0.168 239 A C -0.233 177.354 177.584 0.005 0.000 0.806 239 A CA -0.322 51.721 52.037 0.011 0.000 0.871 239 A CB 0.267 19.282 19.000 0.025 0.000 1.498 239 A HN 0.386 nan 8.150 nan 0.000 0.779 240 V N -2.641 117.279 119.914 0.010 0.000 3.093 240 V HA 0.652 4.772 4.120 -0.000 0.000 0.320 240 V C -2.901 173.197 176.094 0.007 0.000 1.093 240 V CA -2.555 59.750 62.300 0.007 0.000 1.016 240 V CB 0.644 32.474 31.823 0.011 0.000 1.096 240 V HN 0.586 nan 8.190 nan 0.000 0.452 241 P HA 0.474 nan 4.420 nan 0.000 0.269 241 P C -0.730 176.574 177.300 0.007 0.000 1.215 241 P CA -0.124 62.980 63.100 0.006 0.000 0.780 241 P CB 0.405 32.108 31.700 0.005 0.000 0.898 242 L N -1.901 119.326 121.223 0.007 0.000 2.568 242 L HA 0.755 5.095 4.340 -0.000 0.000 0.257 242 L C -0.421 176.456 176.870 0.011 0.000 1.024 242 L CA -1.029 53.815 54.840 0.006 0.000 0.854 242 L CB 1.865 43.925 42.059 0.001 0.000 1.460 242 L HN 0.337 nan 8.230 nan 0.000 0.409 243 T N -1.097 113.467 114.554 0.015 0.000 2.868 243 T HA 0.261 4.611 4.350 -0.000 0.000 0.292 243 T C 0.849 175.577 174.700 0.046 0.000 1.028 243 T CA -0.463 61.652 62.100 0.025 0.000 1.059 243 T CB 1.431 70.317 68.868 0.029 0.000 0.991 243 T HN 0.690 nan 8.240 nan 0.000 0.531 244 L N 2.426 123.681 121.223 0.053 0.000 2.131 244 L HA 0.191 4.531 4.340 -0.000 0.000 0.210 244 L C 2.445 179.440 176.870 0.208 0.000 1.092 244 L CA 2.227 57.129 54.840 0.103 0.000 0.759 244 L CB -1.320 40.712 42.059 -0.045 0.000 0.903 244 L HN 0.998 nan 8.230 nan 0.000 0.435 245 G N -1.440 107.452 108.800 0.154 0.000 2.421 245 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.216 245 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.216 245 G C 1.465 176.415 174.900 0.085 0.000 1.171 245 G CA 0.714 45.885 45.100 0.118 0.000 0.775 245 G HN 0.502 nan 8.290 nan 0.000 0.543 246 Q N -0.279 119.547 119.800 0.045 0.000 2.084 246 Q HA -0.103 4.237 4.340 -0.000 0.000 0.202 246 Q C 2.427 178.398 176.000 -0.049 0.000 0.978 246 Q CA 1.429 57.230 55.803 -0.002 0.000 0.844 246 Q CB -0.143 28.591 28.738 -0.006 0.000 0.898 246 Q HN 0.687 nan 8.270 nan 0.000 0.426 247 E N -0.058 120.123 120.200 -0.032 0.000 2.051 247 E HA -0.189 4.161 4.350 -0.000 0.000 0.192 247 E C 1.551 177.844 176.600 -0.512 0.000 0.991 247 E CA 0.901 57.192 56.400 -0.182 0.000 0.799 247 E CB -0.015 29.652 29.700 -0.055 0.000 0.748 247 E HN 0.252 nan 8.360 nan 0.000 0.449 248 F N 1.013 120.730 119.950 -0.388 0.000 2.234 248 F HA -0.171 4.356 4.527 -0.000 0.000 0.299 248 F C 2.823 178.466 175.800 -0.261 0.000 1.087 248 F CA 1.386 59.180 58.000 -0.344 0.000 1.340 248 F CB -0.499 38.520 39.000 0.031 0.000 1.031 248 F HN 0.120 nan 8.300 nan 0.000 0.500 249 S N -0.258 115.425 115.700 -0.029 0.000 2.402 249 S HA -0.172 4.298 4.470 -0.000 0.000 0.233 249 S C 2.423 176.946 174.600 -0.128 0.000 1.030 249 S CA 1.362 59.524 58.200 -0.062 0.000 1.003 249 S CB -1.367 61.806 63.200 -0.046 0.000 0.813 249 S HN 0.363 nan 8.310 nan 0.000 0.477 250 G N 0.250 108.912 108.800 -0.231 0.000 2.418 250 G HA2 -0.098 3.862 3.960 -0.000 0.000 0.217 250 G HA3 -0.098 3.862 3.960 -0.000 0.000 0.217 250 G C 1.218 176.061 174.900 -0.095 0.000 1.158 250 G CA 0.939 45.919 45.100 -0.201 0.000 0.771 250 G HN 0.600 nan 8.290 nan 0.000 0.545 251 Y N 0.829 121.072 120.300 -0.095 0.000 2.181 251 Y HA -0.056 4.494 4.550 -0.000 0.000 0.288 251 Y C 3.017 178.877 175.900 -0.067 0.000 1.146 251 Y CA 0.012 58.049 58.100 -0.104 0.000 1.164 251 Y CB -1.240 37.112 38.460 -0.179 0.000 0.982 251 Y HN 0.033 nan 8.280 nan 0.000 0.515 252 V N 0.145 120.101 119.914 0.070 0.000 2.287 252 V HA -0.338 3.782 4.120 -0.000 0.000 0.248 252 V C 2.468 178.564 176.094 0.003 0.000 1.053 252 V CA 2.280 64.570 62.300 -0.018 0.000 1.027 252 V CB -0.791 30.974 31.823 -0.098 0.000 0.646 252 V HN 0.305 nan 8.190 nan 0.000 0.447 253 Q N -0.114 119.639 119.800 -0.080 0.000 2.084 253 Q HA -0.234 4.106 4.340 -0.000 0.000 0.202 253 Q C 2.256 178.094 176.000 -0.270 0.000 0.978 253 Q CA 1.924 57.579 55.803 -0.247 0.000 0.844 253 Q CB -0.305 28.225 28.738 -0.347 0.000 0.898 253 Q HN 0.696 nan 8.270 nan 0.000 0.426 254 Q N -1.068 118.668 119.800 -0.107 0.000 2.096 254 Q HA -0.137 4.202 4.340 -0.000 0.000 0.204 254 Q C 2.075 178.111 176.000 0.060 0.000 0.982 254 Q CA 1.731 57.527 55.803 -0.011 0.000 0.850 254 Q CB 0.017 28.778 28.738 0.038 0.000 0.901 254 Q HN 0.285 nan 8.270 nan 0.000 0.422 255 V N 1.080 121.046 119.914 0.087 0.000 2.379 255 V HA -0.237 3.883 4.120 -0.000 0.000 0.245 255 V C 2.248 178.434 176.094 0.154 0.000 1.044 255 V CA 1.667 64.043 62.300 0.126 0.000 1.036 255 V CB -0.548 31.373 31.823 0.162 0.000 0.664 255 V HN 0.311 nan 8.190 nan 0.000 0.453 256 K N -0.541 119.981 120.400 0.204 0.000 2.020 256 K HA -0.247 4.073 4.320 -0.000 0.000 0.212 256 K C 2.272 178.999 176.600 0.213 0.000 1.050 256 K CA 2.175 58.549 56.287 0.144 0.000 0.929 256 K CB -0.308 32.276 32.500 0.140 0.000 0.714 256 K HN 0.416 nan 8.250 nan 0.000 0.443 257 Y N 0.281 120.601 120.300 0.032 0.000 2.293 257 Y HA -0.077 4.473 4.550 -0.000 0.000 0.291 257 Y C 2.364 178.258 175.900 -0.009 0.000 1.137 257 Y CA 0.514 58.618 58.100 0.006 0.000 1.202 257 Y CB -1.007 37.459 38.460 0.010 0.000 0.990 257 Y HN 0.210 nan 8.280 nan 0.000 0.537 258 A N -0.187 122.725 122.820 0.153 0.000 1.902 258 A HA -0.230 4.090 4.320 -0.000 0.000 0.217 258 A C 2.396 179.995 177.584 0.024 0.000 1.181 258 A CA 1.915 53.989 52.037 0.062 0.000 0.623 258 A CB -0.757 18.267 19.000 0.041 0.000 0.818 258 A HN 0.404 nan 8.150 nan 0.000 0.443 259 M N -0.953 118.664 119.600 0.028 0.000 2.132 259 M HA -0.122 4.358 4.480 -0.000 0.000 0.263 259 M C 2.242 178.528 176.300 -0.024 0.000 1.065 259 M CA 1.916 57.208 55.300 -0.014 0.000 1.122 259 M CB -0.637 31.945 32.600 -0.030 0.000 1.365 259 M HN 0.434 nan 8.290 nan 0.000 0.411 260 T N 0.069 114.624 114.554 0.002 0.000 2.746 260 T HA -0.132 4.218 4.350 -0.000 0.000 0.267 260 T C 1.822 176.492 174.700 -0.050 0.000 1.039 260 T CA 1.246 63.331 62.100 -0.026 0.000 1.142 260 T CB -0.251 68.600 68.868 -0.029 0.000 0.866 260 T HN 0.366 nan 8.240 nan 0.000 0.444 261 R N 0.185 120.660 120.500 -0.042 0.000 2.081 261 R HA 0.045 4.385 4.340 -0.000 0.000 0.235 261 R C 2.425 178.689 176.300 -0.060 0.000 1.131 261 R CA 1.193 57.260 56.100 -0.056 0.000 0.960 261 R CB -0.440 29.834 30.300 -0.042 0.000 0.856 261 R HN 0.390 nan 8.270 nan 0.000 0.436 262 I N 0.924 121.458 120.570 -0.060 0.000 2.202 262 I HA -0.280 3.890 4.170 -0.000 0.000 0.242 262 I C 2.164 178.225 176.117 -0.093 0.000 1.091 262 I CA 1.401 62.654 61.300 -0.078 0.000 1.368 262 I CB -0.175 37.777 38.000 -0.080 0.000 1.058 262 I HN 0.097 nan 8.210 nan 0.000 0.410 263 K N 0.851 121.200 120.400 -0.085 0.000 2.103 263 K HA -0.154 4.166 4.320 -0.000 0.000 0.207 263 K C 2.184 178.753 176.600 -0.050 0.000 1.048 263 K CA 1.546 57.790 56.287 -0.071 0.000 0.930 263 K CB -0.310 32.157 32.500 -0.055 0.000 0.716 263 K HN 0.326 nan 8.250 nan 0.000 0.444 264 A N 1.328 124.116 122.820 -0.054 0.000 2.015 264 A HA -0.043 4.277 4.320 -0.000 0.000 0.219 264 A C 2.140 179.690 177.584 -0.056 0.000 1.163 264 A CA 1.618 53.625 52.037 -0.049 0.000 0.646 264 A CB -0.329 18.637 19.000 -0.056 0.000 0.806 264 A HN 0.318 nan 8.150 nan 0.000 0.448 265 A N -1.732 121.045 122.820 -0.072 0.000 2.251 265 A HA 0.337 4.657 4.320 -0.000 0.000 0.209 265 A C 1.720 179.227 177.584 -0.129 0.000 1.187 265 A CA 0.491 52.478 52.037 -0.083 0.000 0.823 265 A CB -0.246 18.708 19.000 -0.076 0.000 0.846 265 A HN 0.363 nan 8.150 nan 0.000 0.486 266 M N -0.556 118.953 119.600 -0.152 0.000 2.486 266 M HA 0.079 4.559 4.480 -0.000 0.000 0.264 266 M C -1.014 175.075 176.300 -0.351 0.000 1.125 266 M CA 0.078 55.203 55.300 -0.292 0.000 1.144 266 M CB -1.739 30.699 32.600 -0.270 0.000 1.353 266 M HN 0.079 nan 8.290 nan 0.000 0.466 267 P HA -0.137 nan 4.420 nan 0.000 0.216 267 P C 1.154 178.440 177.300 -0.024 0.000 1.150 267 P CA 1.522 64.640 63.100 0.029 0.000 0.843 267 P CB -0.146 31.583 31.700 0.048 0.000 0.787 268 R N -1.450 118.994 120.500 -0.093 0.000 2.276 268 R HA 0.147 4.487 4.340 -0.000 0.000 0.196 268 R C 2.055 178.245 176.300 -0.183 0.000 0.961 268 R CA 0.183 56.248 56.100 -0.058 0.000 1.024 268 R CB -0.377 29.913 30.300 -0.017 0.000 0.940 268 R HN 0.153 nan 8.270 nan 0.000 0.480 269 I N 0.210 120.534 120.570 -0.409 0.000 2.454 269 I HA -0.267 3.903 4.170 -0.000 0.000 0.254 269 I C 1.293 177.165 176.117 -0.409 0.000 1.156 269 I CA 1.652 62.516 61.300 -0.726 0.000 1.433 269 I CB -0.599 37.027 38.000 -0.624 0.000 1.082 269 I HN 0.252 nan 8.210 nan 0.000 0.432 270 Y N 1.173 121.424 120.300 -0.082 0.000 2.616 270 Y HA -0.025 4.525 4.550 -0.000 0.000 0.296 270 Y C 1.056 177.077 175.900 0.202 0.000 1.154 270 Y CA -0.140 57.965 58.100 0.008 0.000 1.325 270 Y CB -0.107 38.266 38.460 -0.145 0.000 1.007 270 Y HN 0.212 nan 8.280 nan 0.000 0.542 271 E N 1.460 121.829 120.200 0.281 0.000 2.259 271 E HA 0.288 4.638 4.350 -0.000 0.000 0.281 271 E C -0.910 175.892 176.600 0.338 0.000 1.037 271 E CA -0.229 56.331 56.400 0.266 0.000 0.854 271 E CB 0.931 30.745 29.700 0.190 0.000 1.051 271 E HN 0.213 nan 8.360 nan 0.000 0.409 272 L N 2.055 123.396 121.223 0.198 0.000 2.322 272 L HA 0.357 4.697 4.340 -0.000 0.000 0.281 272 L C 0.920 177.799 176.870 0.015 0.000 1.014 272 L CA -0.485 54.406 54.840 0.086 0.000 0.815 272 L CB 1.639 43.697 42.059 -0.000 0.000 1.247 272 L HN 0.652 nan 8.230 nan 0.000 0.421 273 A N 2.608 125.406 122.820 -0.036 0.000 2.119 273 A HA 0.213 4.533 4.320 -0.000 0.000 0.217 273 A C 1.272 178.833 177.584 -0.039 0.000 1.153 273 A CA 0.661 52.672 52.037 -0.042 0.000 0.692 273 A CB -0.206 18.766 19.000 -0.047 0.000 0.799 273 A HN 0.759 nan 8.150 nan 0.000 0.458 274 A N -0.881 121.910 122.820 -0.048 0.000 2.567 274 A HA 0.408 4.728 4.320 -0.000 0.000 0.240 274 A C 1.628 179.228 177.584 0.026 0.000 1.053 274 A CA 0.846 52.876 52.037 -0.011 0.000 0.755 274 A CB -0.668 18.287 19.000 -0.075 0.000 0.978 274 A HN 1.984 nan 8.150 nan 0.000 0.507 275 G N 1.638 110.509 108.800 0.119 0.000 2.238 275 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.217 275 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.217 275 G C 1.386 176.296 174.900 0.017 0.000 0.996 275 G CA 0.750 45.927 45.100 0.128 0.000 0.632 275 G HN 1.851 nan 8.290 nan 0.000 0.503 276 G N 0.624 109.405 108.800 -0.032 0.000 2.448 276 G HA2 0.326 4.286 3.960 -0.000 0.000 0.219 276 G HA3 0.326 4.286 3.960 -0.000 0.000 0.219 276 G C 1.600 176.459 174.900 -0.069 0.000 1.127 276 G CA 2.999 48.034 45.100 -0.107 0.000 0.766 276 G HN 2.261 nan 8.290 nan 0.000 0.552 277 T N -1.412 113.132 114.554 -0.016 0.000 14.043 277 T HA -0.382 3.968 4.350 -0.000 0.000 0.422 277 T C 1.871 176.575 174.700 0.008 0.000 1.438 277 T CA 2.367 64.466 62.100 -0.002 0.000 2.348 277 T CB -1.380 67.479 68.868 -0.016 0.000 2.748 277 T HN 1.356 nan 8.240 nan 0.000 0.266 278 A N 1.011 123.841 122.820 0.017 0.000 1.898 278 A HA 0.330 4.650 4.320 -0.000 0.000 0.216 278 A C 2.689 180.304 177.584 0.053 0.000 1.181 278 A CA 3.558 55.617 52.037 0.037 0.000 0.620 278 A CB -0.720 18.303 19.000 0.038 0.000 0.819 278 A HN 2.071 nan 8.150 nan 0.000 0.442 279 V N -5.931 114.018 119.914 0.058 0.000 3.398 279 V HA 0.632 4.752 4.120 -0.000 0.000 0.298 279 V C 1.081 177.228 176.094 0.089 0.000 1.496 279 V CA 0.763 63.129 62.300 0.111 0.000 1.044 279 V CB -0.306 31.614 31.823 0.161 0.000 0.880 279 V HN 1.453 nan 8.190 nan 0.000 0.443 280 G N 1.460 110.194 108.800 -0.110 0.000 2.307 280 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.210 280 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.210 280 G C 1.113 175.665 174.900 -0.580 0.000 1.005 280 G CA 0.821 45.579 45.100 -0.569 0.000 0.634 280 G HN 1.076 nan 8.290 nan 0.000 0.496 281 T N -0.665 113.834 114.554 -0.092 0.000 2.962 281 T HA 0.348 4.698 4.350 -0.000 0.000 0.270 281 T C 2.566 177.266 174.700 -0.001 0.000 1.088 281 T CA 1.967 64.109 62.100 0.071 0.000 1.127 281 T CB -0.257 68.710 68.868 0.166 0.000 0.883 281 T HN 2.323 nan 8.240 nan 0.000 0.493 282 G N 0.860 109.637 108.800 -0.038 0.000 2.143 282 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.248 282 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.248 282 G C -0.087 174.801 174.900 -0.020 0.000 0.991 282 G CA 0.044 45.127 45.100 -0.029 0.000 0.689 282 G HN 0.811 nan 8.290 nan 0.000 0.522 283 L N 0.364 121.584 121.223 -0.005 0.000 2.525 283 L HA 0.441 4.781 4.340 -0.000 0.000 0.278 283 L C 1.097 177.948 176.870 -0.033 0.000 1.218 283 L CA 1.332 56.167 54.840 -0.008 0.000 0.878 283 L CB -0.080 41.985 42.059 0.010 0.000 1.127 283 L HN 0.385 nan 8.230 nan 0.000 0.492 284 N N 1.262 119.934 118.700 -0.047 0.000 2.878 284 N HA -0.191 4.549 4.740 -0.000 0.000 0.247 284 N C 0.088 175.523 175.510 -0.125 0.000 1.021 284 N CA 1.300 54.307 53.050 -0.072 0.000 0.873 284 N CB -1.444 37.009 38.487 -0.056 0.000 1.128 284 N HN 0.848 nan 8.380 nan 0.000 0.571 285 T N -0.269 114.201 114.554 -0.139 0.000 2.940 285 T HA 0.538 4.888 4.350 -0.000 0.000 0.288 285 T C -0.246 174.313 174.700 -0.233 0.000 1.045 285 T CA -0.577 61.380 62.100 -0.239 0.000 1.018 285 T CB 1.320 70.055 68.868 -0.221 0.000 1.151 285 T HN -0.031 nan 8.240 nan 0.000 0.529 286 R N 1.952 122.216 120.500 -0.394 0.000 2.457 286 R HA 0.423 4.763 4.340 -0.000 0.000 0.284 286 R C -0.024 176.136 176.300 -0.233 0.000 1.024 286 R CA -0.600 55.250 56.100 -0.416 0.000 1.025 286 R CB 0.570 30.268 30.300 -1.003 0.000 1.063 286 R HN 0.647 nan 8.270 nan 0.000 0.493 287 I N 1.461 121.984 120.570 -0.078 0.000 2.752 287 I HA -0.116 4.054 4.170 -0.000 0.000 0.289 287 I C 1.426 177.611 176.117 0.113 0.000 1.197 287 I CA 1.661 62.979 61.300 0.029 0.000 1.432 287 I CB 0.484 38.518 38.000 0.057 0.000 1.359 287 I HN 0.966 nan 8.210 nan 0.000 0.571 288 G N 5.208 114.080 108.800 0.119 0.000 2.195 288 G HA2 -0.364 3.596 3.960 -0.000 0.000 0.246 288 G HA3 -0.364 3.596 3.960 -0.000 0.000 0.246 288 G C 0.735 175.758 174.900 0.206 0.000 0.984 288 G CA 0.429 45.629 45.100 0.167 0.000 0.633 288 G HN 0.620 nan 8.290 nan 0.000 0.525 289 F N 2.141 122.095 119.950 0.007 0.000 2.102 289 F HA 0.207 4.734 4.527 -0.000 0.000 0.298 289 F C 2.689 178.496 175.800 0.011 0.000 1.105 289 F CA 2.494 60.491 58.000 -0.006 0.000 1.239 289 F CB -0.536 38.344 39.000 -0.201 0.000 0.991 289 F HN 0.353 nan 8.300 nan 0.000 0.474 290 A N -0.028 122.789 122.820 -0.005 0.000 1.908 290 A HA -0.220 4.100 4.320 -0.000 0.000 0.218 290 A C 1.992 179.503 177.584 -0.123 0.000 1.181 290 A CA 2.089 54.073 52.037 -0.089 0.000 0.627 290 A CB -0.826 18.176 19.000 0.003 0.000 0.818 290 A HN 0.475 nan 8.150 nan 0.000 0.445 291 E N -0.174 119.993 120.200 -0.055 0.000 2.072 291 E HA -0.059 4.291 4.350 -0.000 0.000 0.190 291 E C 2.032 178.594 176.600 -0.063 0.000 0.982 291 E CA 1.321 57.700 56.400 -0.036 0.000 0.803 291 E CB -0.128 29.575 29.700 0.004 0.000 0.755 291 E HN 0.634 nan 8.360 nan 0.000 0.453 292 K N -0.002 120.354 120.400 -0.073 0.000 2.103 292 K HA -0.030 4.290 4.320 -0.000 0.000 0.204 292 K C 1.989 178.492 176.600 -0.161 0.000 1.052 292 K CA 1.010 57.255 56.287 -0.072 0.000 0.945 292 K CB 0.056 32.563 32.500 0.011 0.000 0.722 292 K HN -0.023 nan 8.250 nan 0.000 0.443 293 V N 1.242 120.954 119.914 -0.337 0.000 2.427 293 V HA -0.202 3.918 4.120 -0.000 0.000 0.248 293 V C 2.318 178.276 176.094 -0.227 0.000 1.051 293 V CA 1.906 63.982 62.300 -0.374 0.000 1.048 293 V CB -0.726 30.693 31.823 -0.673 0.000 0.666 293 V HN 0.308 nan 8.190 nan 0.000 0.456 294 A N 0.461 123.174 122.820 -0.177 0.000 1.883 294 A HA -0.143 4.177 4.320 -0.000 0.000 0.217 294 A C 2.460 180.024 177.584 -0.033 0.000 1.186 294 A CA 2.248 54.233 52.037 -0.086 0.000 0.624 294 A CB -0.879 18.103 19.000 -0.030 0.000 0.822 294 A HN 0.575 nan 8.150 nan 0.000 0.444 295 A N -0.421 122.375 122.820 -0.040 0.000 1.908 295 A HA -0.179 4.141 4.320 -0.000 0.000 0.218 295 A C 2.091 179.659 177.584 -0.027 0.000 1.181 295 A CA 2.426 54.450 52.037 -0.022 0.000 0.627 295 A CB -0.410 18.575 19.000 -0.026 0.000 0.818 295 A HN 0.434 nan 8.150 nan 0.000 0.445 296 K N -0.195 120.172 120.400 -0.054 0.000 2.057 296 K HA -0.042 4.278 4.320 -0.000 0.000 0.206 296 K C 1.730 178.299 176.600 -0.051 0.000 1.050 296 K CA 1.676 57.933 56.287 -0.051 0.000 0.935 296 K CB -0.676 31.785 32.500 -0.064 0.000 0.715 296 K HN 0.205 nan 8.250 nan 0.000 0.439 297 V N 0.998 120.860 119.914 -0.086 0.000 2.295 297 V HA -0.264 3.856 4.120 -0.000 0.000 0.246 297 V C 2.327 178.442 176.094 0.035 0.000 1.049 297 V CA 1.977 64.207 62.300 -0.116 0.000 1.024 297 V CB -1.051 30.590 31.823 -0.304 0.000 0.648 297 V HN 0.457 nan 8.190 nan 0.000 0.447 298 A N 0.273 123.164 122.820 0.119 0.000 1.884 298 A HA -0.255 4.065 4.320 -0.000 0.000 0.219 298 A C 2.441 180.064 177.584 0.064 0.000 1.197 298 A CA 2.734 54.872 52.037 0.169 0.000 0.637 298 A CB -1.013 18.036 19.000 0.080 0.000 0.827 298 A HN 0.624 nan 8.150 nan 0.000 0.450 299 A N -0.732 122.101 122.820 0.020 0.000 1.933 299 A HA 0.006 4.326 4.320 -0.000 0.000 0.218 299 A C 2.165 179.750 177.584 0.002 0.000 1.175 299 A CA 1.512 53.549 52.037 -0.001 0.000 0.628 299 A CB -0.573 18.420 19.000 -0.011 0.000 0.814 299 A HN 0.483 nan 8.150 nan 0.000 0.444 300 L N -0.293 120.932 121.223 0.004 0.000 2.141 300 L HA -0.110 4.230 4.340 -0.000 0.000 0.209 300 L C 2.704 179.583 176.870 0.015 0.000 1.094 300 L CA 1.699 56.539 54.840 0.000 0.000 0.763 300 L CB -0.384 41.666 42.059 -0.015 0.000 0.908 300 L HN 0.654 nan 8.230 nan 0.000 0.437 301 T N -5.048 109.533 114.554 0.045 0.000 3.014 301 T HA 0.227 4.577 4.350 -0.000 0.000 0.250 301 T C 1.503 176.213 174.700 0.017 0.000 1.060 301 T CA 0.433 62.573 62.100 0.067 0.000 1.040 301 T CB 0.588 69.578 68.868 0.203 0.000 0.971 301 T HN 0.350 nan 8.240 nan 0.000 0.497 302 G N 1.506 110.303 108.800 -0.006 0.000 2.168 302 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.257 302 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.257 302 G C -0.148 174.664 174.900 -0.148 0.000 0.997 302 G CA 0.474 45.536 45.100 -0.063 0.000 0.708 302 G HN 0.649 nan 8.290 nan 0.000 0.520 303 L N 0.286 121.407 121.223 -0.170 0.000 2.334 303 L HA 0.493 4.832 4.340 -0.000 0.000 0.273 303 L C -1.652 174.899 176.870 -0.533 0.000 1.013 303 L CA -2.521 52.051 54.840 -0.446 0.000 0.816 303 L CB 2.156 43.867 42.059 -0.582 0.000 1.278 303 L HN -0.146 nan 8.230 nan 0.000 0.431 304 P HA 0.063 nan 4.420 nan 0.000 0.225 304 P C -0.497 176.452 177.300 -0.584 0.000 1.768 304 P CA -0.157 62.563 63.100 -0.633 0.000 0.943 304 P CB -0.580 30.712 31.700 -0.682 0.000 1.936 305 F N 1.319 121.156 119.950 -0.189 0.000 2.518 305 F HA 0.133 4.660 4.527 -0.000 0.000 0.359 305 F C 1.465 177.246 175.800 -0.032 0.000 1.118 305 F CA 0.203 58.192 58.000 -0.018 0.000 1.287 305 F CB 0.456 39.460 39.000 0.007 0.000 1.132 305 F HN 0.025 nan 8.300 nan 0.000 0.587 306 V N -0.683 119.364 119.914 0.221 0.000 3.078 306 V HA 0.580 4.700 4.120 -0.000 0.000 0.311 306 V C -0.264 175.897 176.094 0.111 0.000 1.138 306 V CA -0.945 61.423 62.300 0.113 0.000 1.007 306 V CB 1.399 33.266 31.823 0.074 0.000 1.045 306 V HN 0.663 nan 8.190 nan 0.000 0.432 307 T N 2.213 116.800 114.554 0.055 0.000 2.919 307 T HA 0.548 4.898 4.350 -0.000 0.000 0.302 307 T C 0.493 175.224 174.700 0.052 0.000 1.031 307 T CA 0.545 62.666 62.100 0.035 0.000 1.127 307 T CB 0.497 69.367 68.868 0.004 0.000 0.952 307 T HN 1.705 nan 8.240 nan 0.000 0.540 308 A N 6.832 129.682 122.820 0.049 0.000 2.524 308 A HA 0.348 4.668 4.320 -0.000 0.000 0.250 308 A C -1.208 176.395 177.584 0.032 0.000 1.078 308 A CA -1.074 50.995 52.037 0.053 0.000 0.761 308 A CB -0.049 18.978 19.000 0.045 0.000 1.012 308 A HN 0.683 nan 8.150 nan 0.000 0.500 309 P HA -0.063 nan 4.420 nan 0.000 0.221 309 P C 0.182 177.509 177.300 0.046 0.000 1.150 309 P CA 1.043 64.168 63.100 0.041 0.000 0.800 309 P CB 0.220 31.948 31.700 0.047 0.000 0.787 310 N N -0.021 118.708 118.700 0.048 0.000 2.531 310 N HA 0.075 4.815 4.740 -0.000 0.000 0.268 310 N C 0.649 176.152 175.510 -0.012 0.000 1.023 310 N CA -0.293 52.799 53.050 0.070 0.000 0.896 310 N CB 0.950 39.515 38.487 0.130 0.000 1.233 310 N HN -0.282 nan 8.380 nan 0.000 0.512 311 K N 2.534 122.822 120.400 -0.187 0.000 2.288 311 K HA 0.011 4.331 4.320 -0.000 0.000 0.201 311 K C 1.167 177.559 176.600 -0.346 0.000 1.048 311 K CA 0.843 56.943 56.287 -0.311 0.000 0.956 311 K CB -0.047 32.197 32.500 -0.428 0.000 0.746 311 K HN 0.461 nan 8.250 nan 0.000 0.461 312 F N 1.845 121.807 119.950 0.020 0.000 2.084 312 F HA -0.094 4.433 4.527 -0.000 0.000 0.296 312 F C 2.547 178.347 175.800 -0.001 0.000 1.111 312 F CA 1.021 59.032 58.000 0.017 0.000 1.224 312 F CB -0.639 38.375 39.000 0.024 0.000 0.991 312 F HN 0.081 nan 8.300 nan 0.000 0.471 313 E N 1.152 121.448 120.200 0.160 0.000 2.118 313 E HA -0.228 4.121 4.350 -0.000 0.000 0.195 313 E C 2.245 178.839 176.600 -0.010 0.000 0.992 313 E CA 1.312 57.750 56.400 0.065 0.000 0.804 313 E CB -0.261 29.482 29.700 0.072 0.000 0.741 313 E HN 0.335 nan 8.360 nan 0.000 0.458 314 A N 0.559 123.369 122.820 -0.017 0.000 2.015 314 A HA -0.048 4.272 4.320 -0.000 0.000 0.219 314 A C 2.286 179.810 177.584 -0.100 0.000 1.163 314 A CA 0.847 52.860 52.037 -0.039 0.000 0.646 314 A CB -0.236 18.756 19.000 -0.014 0.000 0.806 314 A HN 0.292 nan 8.150 nan 0.000 0.448 315 L N -2.017 119.158 121.223 -0.080 0.000 2.357 315 L HA 0.147 4.487 4.340 -0.000 0.000 0.211 315 L C 2.597 179.418 176.870 -0.083 0.000 1.075 315 L CA 0.762 55.572 54.840 -0.051 0.000 0.830 315 L CB -0.141 41.916 42.059 -0.004 0.000 0.996 315 L HN 0.346 nan 8.230 nan 0.000 0.467 316 A N -0.089 122.691 122.820 -0.068 0.000 2.178 316 A HA 0.569 4.889 4.320 -0.000 0.000 0.211 316 A C 0.879 178.386 177.584 -0.129 0.000 1.157 316 A CA 0.710 52.725 52.037 -0.035 0.000 0.780 316 A CB -0.051 18.975 19.000 0.043 0.000 0.828 316 A HN 0.285 nan 8.150 nan 0.000 0.476 317 A N -1.111 121.543 122.820 -0.276 0.000 2.594 317 A HA 0.630 4.950 4.320 -0.000 0.000 0.295 317 A C -1.145 176.096 177.584 -0.571 0.000 1.071 317 A CA -0.551 51.311 52.037 -0.291 0.000 0.685 317 A CB 0.610 19.533 19.000 -0.129 0.000 1.285 317 A HN 0.261 nan 8.150 nan 0.000 0.405 318 H N 1.513 120.605 119.070 0.037 0.000 2.471 318 H HA 0.172 4.728 4.556 -0.000 0.000 0.234 318 H C -0.399 174.969 175.328 0.068 0.000 1.388 318 H CA -0.350 55.741 56.048 0.072 0.000 1.198 318 H CB 0.551 30.361 29.762 0.080 0.000 1.714 318 H HN 0.705 nan 8.280 nan 0.000 0.536 319 D N 0.915 121.368 120.400 0.089 0.000 2.219 319 D HA -0.073 4.566 4.640 -0.000 0.000 0.205 319 D C 2.052 178.399 176.300 0.079 0.000 0.970 319 D CA 0.780 54.818 54.000 0.062 0.000 0.851 319 D CB 0.306 41.123 40.800 0.027 0.000 0.943 319 D HN 0.473 nan 8.370 nan 0.000 0.488 320 A N 0.595 123.483 122.820 0.114 0.000 1.929 320 A HA -0.065 4.255 4.320 -0.000 0.000 0.216 320 A C 2.324 179.934 177.584 0.043 0.000 1.176 320 A CA 0.599 52.665 52.037 0.049 0.000 0.628 320 A CB -0.587 18.407 19.000 -0.010 0.000 0.816 320 A HN 0.179 nan 8.150 nan 0.000 0.444 321 L N -0.372 120.931 121.223 0.134 0.000 2.046 321 L HA -0.168 4.172 4.340 -0.000 0.000 0.208 321 L C 2.538 179.462 176.870 0.090 0.000 1.077 321 L CA 1.220 56.125 54.840 0.108 0.000 0.747 321 L CB -0.681 41.466 42.059 0.147 0.000 0.896 321 L HN 0.255 nan 8.230 nan 0.000 0.432 322 V N 0.056 120.026 119.914 0.093 0.000 2.332 322 V HA -0.322 3.798 4.120 -0.000 0.000 0.248 322 V C 2.482 178.651 176.094 0.124 0.000 1.055 322 V CA 2.117 64.470 62.300 0.089 0.000 1.038 322 V CB -0.576 31.272 31.823 0.043 0.000 0.651 322 V HN 0.536 nan 8.190 nan 0.000 0.450 323 E N 0.026 120.268 120.200 0.069 0.000 2.038 323 E HA -0.279 4.070 4.350 -0.000 0.000 0.195 323 E C 2.215 178.822 176.600 0.012 0.000 1.000 323 E CA 1.742 58.163 56.400 0.035 0.000 0.803 323 E CB -0.203 29.499 29.700 0.003 0.000 0.750 323 E HN 0.411 nan 8.360 nan 0.000 0.448 324 L N 0.866 122.086 121.223 -0.004 0.000 2.042 324 L HA -0.159 4.181 4.340 -0.000 0.000 0.210 324 L C 2.494 179.364 176.870 0.001 0.000 1.076 324 L CA 2.304 57.128 54.840 -0.028 0.000 0.749 324 L CB -0.974 41.054 42.059 -0.051 0.000 0.893 324 L HN 0.131 nan 8.230 nan 0.000 0.432 325 S N -0.643 115.098 115.700 0.069 0.000 2.382 325 S HA -0.130 4.340 4.470 -0.000 0.000 0.228 325 S C 2.091 176.683 174.600 -0.013 0.000 1.027 325 S CA 1.177 59.453 58.200 0.128 0.000 0.991 325 S CB -0.875 62.502 63.200 0.295 0.000 0.823 325 S HN 0.671 nan 8.310 nan 0.000 0.469 326 G N 0.833 109.616 108.800 -0.029 0.000 2.469 326 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.219 326 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.219 326 G C 1.663 176.435 174.900 -0.212 0.000 1.150 326 G CA 1.068 46.011 45.100 -0.261 0.000 0.763 326 G HN 0.708 nan 8.290 nan 0.000 0.561 327 A N 0.364 123.117 122.820 -0.111 0.000 1.930 327 A HA 0.113 4.433 4.320 -0.000 0.000 0.217 327 A C 2.471 179.999 177.584 -0.093 0.000 1.175 327 A CA 1.677 53.659 52.037 -0.091 0.000 0.627 327 A CB -0.304 18.654 19.000 -0.071 0.000 0.815 327 A HN 0.391 nan 8.150 nan 0.000 0.443 328 M N -0.887 118.658 119.600 -0.091 0.000 2.175 328 M HA -0.136 4.344 4.480 -0.000 0.000 0.264 328 M C 2.115 178.354 176.300 -0.102 0.000 1.063 328 M CA 1.772 57.026 55.300 -0.077 0.000 1.119 328 M CB -0.534 32.038 32.600 -0.048 0.000 1.377 328 M HN 0.590 nan 8.290 nan 0.000 0.415 329 N N 0.198 118.795 118.700 -0.172 0.000 2.069 329 N HA -0.143 4.597 4.740 -0.000 0.000 0.191 329 N C 1.413 176.837 175.510 -0.143 0.000 1.031 329 N CA 2.163 55.091 53.050 -0.202 0.000 0.852 329 N CB -0.082 38.127 38.487 -0.464 0.000 1.018 329 N HN 0.178 nan 8.380 nan 0.000 0.423 330 T N -0.880 113.592 114.554 -0.137 0.000 2.652 330 T HA -0.129 4.221 4.350 -0.000 0.000 0.267 330 T C 1.737 176.403 174.700 -0.056 0.000 1.039 330 T CA 1.929 63.980 62.100 -0.082 0.000 1.153 330 T CB -0.912 67.916 68.868 -0.066 0.000 0.863 330 T HN 0.336 nan 8.240 nan 0.000 0.428 331 T N 2.074 116.595 114.554 -0.055 0.000 2.737 331 T HA -0.138 4.212 4.350 -0.000 0.000 0.269 331 T C 2.321 176.988 174.700 -0.055 0.000 1.040 331 T CA 1.295 63.370 62.100 -0.041 0.000 1.142 331 T CB -0.563 68.281 68.868 -0.041 0.000 0.861 331 T HN 0.464 nan 8.240 nan 0.000 0.456 332 A N 0.412 123.191 122.820 -0.067 0.000 1.930 332 A HA -0.085 4.235 4.320 -0.000 0.000 0.217 332 A C 2.706 180.247 177.584 -0.071 0.000 1.175 332 A CA 1.326 53.320 52.037 -0.073 0.000 0.627 332 A CB -1.220 17.738 19.000 -0.069 0.000 0.815 332 A HN 0.640 nan 8.150 nan 0.000 0.443 333 C N -0.666 118.598 119.300 -0.061 0.000 2.429 333 C HA -0.072 4.388 4.460 -0.000 0.000 0.277 333 C C 3.261 178.218 174.990 -0.054 0.000 1.262 333 C CA 1.342 60.328 59.018 -0.053 0.000 1.733 333 C CB -1.253 26.461 27.740 -0.043 0.000 2.010 333 C HN 0.616 nan 8.230 nan 0.000 0.483 334 S N 1.079 116.752 115.700 -0.045 0.000 2.356 334 S HA -0.087 4.383 4.470 -0.000 0.000 0.223 334 S C 1.727 176.280 174.600 -0.079 0.000 1.032 334 S CA 1.309 59.486 58.200 -0.037 0.000 1.005 334 S CB -0.374 62.821 63.200 -0.009 0.000 0.867 334 S HN 0.563 nan 8.310 nan 0.000 0.449 335 L N 0.358 121.521 121.223 -0.100 0.000 2.093 335 L HA -0.082 4.258 4.340 -0.000 0.000 0.208 335 L C 2.518 179.264 176.870 -0.206 0.000 1.085 335 L CA 0.923 55.663 54.840 -0.167 0.000 0.755 335 L CB -0.487 41.472 42.059 -0.166 0.000 0.904 335 L HN 0.333 nan 8.230 nan 0.000 0.435 336 M N 0.865 120.376 119.600 -0.147 0.000 2.080 336 M HA -0.247 4.233 4.480 -0.000 0.000 0.260 336 M C 2.230 178.452 176.300 -0.131 0.000 1.068 336 M CA 1.958 57.181 55.300 -0.129 0.000 1.109 336 M CB -0.238 32.311 32.600 -0.086 0.000 1.342 336 M HN -0.031 nan 8.290 nan 0.000 0.405 337 K N 0.193 120.521 120.400 -0.119 0.000 2.026 337 K HA -0.058 4.262 4.320 -0.000 0.000 0.208 337 K C 1.632 178.108 176.600 -0.207 0.000 1.048 337 K CA 1.960 58.178 56.287 -0.114 0.000 0.929 337 K CB -0.776 31.686 32.500 -0.064 0.000 0.713 337 K HN 0.534 nan 8.250 nan 0.000 0.439 338 I N 0.584 120.969 120.570 -0.308 0.000 2.142 338 I HA -0.258 3.912 4.170 -0.000 0.000 0.240 338 I C 2.373 178.225 176.117 -0.441 0.000 1.078 338 I CA 1.421 62.359 61.300 -0.604 0.000 1.343 338 I CB -0.446 37.278 38.000 -0.460 0.000 1.046 338 I HN 0.318 nan 8.210 nan 0.000 0.405 339 A N 0.495 123.106 122.820 -0.347 0.000 1.898 339 A HA -0.243 4.077 4.320 -0.000 0.000 0.216 339 A C 2.053 179.570 177.584 -0.112 0.000 1.181 339 A CA 2.200 54.052 52.037 -0.308 0.000 0.620 339 A CB -0.888 17.797 19.000 -0.526 0.000 0.819 339 A HN 0.459 nan 8.150 nan 0.000 0.442 340 N N 0.196 118.845 118.700 -0.086 0.000 2.104 340 N HA -0.171 4.569 4.740 -0.000 0.000 0.190 340 N C 1.233 176.819 175.510 0.127 0.000 1.024 340 N CA 1.893 54.975 53.050 0.054 0.000 0.853 340 N CB -0.276 38.236 38.487 0.042 0.000 1.008 340 N HN 0.403 nan 8.380 nan 0.000 0.424 341 D N -0.030 120.366 120.400 -0.008 0.000 2.092 341 D HA -0.104 4.536 4.640 -0.000 0.000 0.193 341 D C 1.956 178.307 176.300 0.085 0.000 0.994 341 D CA 0.937 54.956 54.000 0.032 0.000 0.828 341 D CB -0.299 40.476 40.800 -0.041 0.000 0.963 341 D HN 0.359 nan 8.370 nan 0.000 0.450 342 I N 0.464 121.036 120.570 0.004 0.000 2.286 342 I HA -0.260 3.910 4.170 -0.000 0.000 0.248 342 I C 2.535 178.726 176.117 0.125 0.000 1.115 342 I CA 0.828 62.185 61.300 0.095 0.000 1.392 342 I CB -0.210 37.871 38.000 0.135 0.000 1.065 342 I HN -0.007 nan 8.210 nan 0.000 0.418 343 R N 1.126 121.693 120.500 0.111 0.000 2.094 343 R HA -0.231 4.109 4.340 -0.000 0.000 0.239 343 R C 2.319 178.614 176.300 -0.009 0.000 1.137 343 R CA 2.101 58.228 56.100 0.045 0.000 0.943 343 R CB -0.507 29.811 30.300 0.029 0.000 0.850 343 R HN 0.150 nan 8.270 nan 0.000 0.433 344 F N 0.823 120.784 119.950 0.018 0.000 2.186 344 F HA -0.042 4.484 4.527 -0.000 0.000 0.299 344 F C 2.162 177.980 175.800 0.031 0.000 1.090 344 F CA 1.089 59.100 58.000 0.020 0.000 1.307 344 F CB -0.093 38.915 39.000 0.012 0.000 1.019 344 F HN 0.007 nan 8.300 nan 0.000 0.489 345 L N -0.995 120.354 121.223 0.210 0.000 2.141 345 L HA -0.115 4.225 4.340 -0.000 0.000 0.209 345 L C 2.377 179.304 176.870 0.095 0.000 1.094 345 L CA 1.242 56.171 54.840 0.149 0.000 0.763 345 L CB -1.076 41.083 42.059 0.167 0.000 0.908 345 L HN 0.197 nan 8.230 nan 0.000 0.437 346 G N -0.586 108.259 108.800 0.075 0.000 3.088 346 G HA2 -0.027 3.933 3.960 -0.000 0.000 0.212 346 G HA3 -0.027 3.933 3.960 -0.000 0.000 0.212 346 G C 0.651 175.551 174.900 -0.000 0.000 1.173 346 G CA 0.193 45.315 45.100 0.038 0.000 0.779 346 G HN 0.384 nan 8.290 nan 0.000 0.540 347 S N -0.406 115.284 115.700 -0.016 0.000 2.562 347 S HA 0.680 5.150 4.470 -0.000 0.000 0.281 347 S C 0.543 175.129 174.600 -0.023 0.000 1.333 347 S CA 0.250 58.416 58.200 -0.057 0.000 1.052 347 S CB 1.796 64.933 63.200 -0.104 0.000 0.884 347 S HN 1.170 nan 8.310 nan 0.000 0.506 348 G N 1.860 110.641 108.800 -0.031 0.000 2.398 348 G HA2 0.296 4.256 3.960 -0.000 0.000 0.251 348 G HA3 0.296 4.256 3.960 -0.000 0.000 0.251 348 G C -2.339 172.550 174.900 -0.018 0.000 1.277 348 G CA -0.160 44.931 45.100 -0.016 0.000 0.927 348 G HN 0.556 nan 8.290 nan 0.000 0.477 349 P HA 0.070 nan 4.420 nan 0.000 0.219 349 P C 1.169 178.468 177.300 -0.003 0.000 1.150 349 P CA 0.991 64.087 63.100 -0.007 0.000 0.814 349 P CB 0.231 31.928 31.700 -0.006 0.000 0.787 350 R N -1.549 118.950 120.500 -0.002 0.000 2.469 350 R HA 0.279 4.619 4.340 -0.000 0.000 0.250 350 R C 1.198 177.502 176.300 0.005 0.000 0.909 350 R CA 0.104 56.205 56.100 0.002 0.000 1.050 350 R CB 0.416 30.716 30.300 0.001 0.000 1.256 350 R HN -0.038 nan 8.270 nan 0.000 0.550 351 S N 0.269 115.972 115.700 0.005 0.000 2.602 351 S HA 0.279 4.749 4.470 -0.000 0.000 0.240 351 S C 0.282 174.892 174.600 0.016 0.000 0.992 351 S CA -0.288 57.919 58.200 0.010 0.000 0.971 351 S CB 1.319 64.524 63.200 0.008 0.000 0.855 351 S HN 0.431 nan 8.310 nan 0.000 0.481 352 G N 0.380 109.189 108.800 0.014 0.000 3.122 352 G HA2 0.546 4.506 3.960 -0.000 0.000 0.180 352 G HA3 0.546 4.506 3.960 -0.000 0.000 0.180 352 G C 0.445 175.369 174.900 0.040 0.000 1.279 352 G CA -0.508 44.608 45.100 0.027 0.000 0.987 352 G HN 0.232 nan 8.290 nan 0.000 0.589 353 L N -0.047 121.209 121.223 0.055 0.000 2.168 353 L HA 0.223 4.563 4.340 -0.000 0.000 0.203 353 L C 2.236 179.127 176.870 0.034 0.000 1.078 353 L CA 0.980 55.855 54.840 0.058 0.000 0.780 353 L CB -0.415 41.700 42.059 0.092 0.000 0.939 353 L HN 0.880 nan 8.230 nan 0.000 0.451 354 G N 0.349 109.166 108.800 0.028 0.000 2.168 354 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.257 354 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.257 354 G C 0.712 175.614 174.900 0.003 0.000 0.997 354 G CA 0.708 45.814 45.100 0.011 0.000 0.708 354 G HN 0.463 nan 8.290 nan 0.000 0.520 355 E N -0.944 119.263 120.200 0.012 0.000 2.158 355 E HA 0.153 4.503 4.350 -0.000 0.000 0.191 355 E C 1.173 177.747 176.600 -0.042 0.000 0.982 355 E CA 0.472 56.865 56.400 -0.013 0.000 0.823 355 E CB 0.160 29.865 29.700 0.007 0.000 0.766 355 E HN 0.571 nan 8.360 nan 0.000 0.468 356 L N 1.463 122.683 121.223 -0.004 0.000 2.334 356 L HA 0.444 4.784 4.340 -0.000 0.000 0.276 356 L C -0.358 176.514 176.870 0.004 0.000 1.014 356 L CA -0.747 54.089 54.840 -0.006 0.000 0.815 356 L CB 1.827 43.932 42.059 0.076 0.000 1.268 356 L HN -0.057 nan 8.230 nan 0.000 0.428 357 I N 3.891 124.460 120.570 -0.002 0.000 2.307 357 I HA 0.310 4.480 4.170 -0.000 0.000 0.289 357 I C -0.198 175.934 176.117 0.026 0.000 1.021 357 I CA -0.235 61.070 61.300 0.008 0.000 1.224 357 I CB 0.960 38.960 38.000 -0.000 0.000 1.376 357 I HN 0.326 nan 8.210 nan 0.000 0.470 358 L N 7.471 128.711 121.223 0.027 0.000 2.399 358 L HA 0.477 4.817 4.340 -0.000 0.000 0.266 358 L C -2.061 174.818 176.870 0.015 0.000 1.114 358 L CA -1.906 52.952 54.840 0.029 0.000 0.804 358 L CB 0.300 42.380 42.059 0.035 0.000 1.146 358 L HN 0.281 nan 8.230 nan 0.000 0.451 359 P HA 0.020 nan 4.420 nan 0.000 0.267 359 P C -0.941 176.362 177.300 0.005 0.000 1.200 359 P CA -0.079 63.023 63.100 0.003 0.000 0.772 359 P CB 0.362 32.058 31.700 -0.007 0.000 0.855 360 E N 1.897 122.100 120.200 0.004 0.000 2.223 360 E HA 0.084 4.434 4.350 -0.000 0.000 0.282 360 E C 0.380 176.984 176.600 0.007 0.000 1.046 360 E CA 0.053 56.456 56.400 0.005 0.000 0.857 360 E CB 0.210 29.912 29.700 0.004 0.000 1.055 360 E HN 0.420 nan 8.360 nan 0.000 0.409 361 N N 2.774 121.480 118.700 0.010 0.000 2.200 361 N HA 0.058 4.798 4.740 -0.000 0.000 0.224 361 N C -0.632 174.885 175.510 0.012 0.000 1.179 361 N CA 0.223 53.281 53.050 0.013 0.000 0.877 361 N CB 0.832 39.330 38.487 0.020 0.000 1.072 361 N HN 0.489 nan 8.380 nan 0.000 0.519 362 E N 0.777 120.982 120.200 0.009 0.000 2.430 362 E HA 0.324 4.674 4.350 -0.000 0.000 0.279 362 E C -2.593 174.011 176.600 0.006 0.000 1.003 362 E CA -1.452 54.953 56.400 0.008 0.000 0.801 362 E CB 2.097 31.801 29.700 0.007 0.000 1.313 362 E HN 0.010 nan 8.360 nan 0.000 0.459 363 P HA 0.232 nan 4.420 nan 0.000 0.277 363 P C -0.239 177.062 177.300 0.003 0.000 1.240 363 P CA -0.328 62.775 63.100 0.004 0.000 0.798 363 P CB 0.720 32.422 31.700 0.004 0.000 0.979 369 P HA 0.530 nan 4.420 nan 0.000 0.275 369 P C 1.040 178.338 177.300 -0.004 0.000 1.227 369 P CA 0.807 63.906 63.100 -0.003 0.000 0.781 369 P CB 0.939 32.638 31.700 -0.002 0.000 0.906 370 G N 1.158 109.956 108.800 -0.003 0.000 2.225 370 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.254 370 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.254 370 G C 0.344 175.240 174.900 -0.006 0.000 0.988 370 G CA 0.020 45.117 45.100 -0.004 0.000 0.625 370 G HN 0.680 nan 8.290 nan 0.000 0.527 371 K N 0.789 121.185 120.400 -0.007 0.000 2.412 371 K HA 0.444 4.764 4.320 -0.000 0.000 0.284 371 K C -0.280 176.315 176.600 -0.008 0.000 1.046 371 K CA -0.039 56.242 56.287 -0.010 0.000 0.999 371 K CB 0.541 33.035 32.500 -0.011 0.000 0.941 371 K HN 0.061 nan 8.250 nan 0.000 0.474 372 V N 5.665 125.573 119.914 -0.010 0.000 2.325 372 V HA 0.117 4.237 4.120 -0.000 0.000 0.280 372 V C -0.570 175.518 176.094 -0.009 0.000 1.016 372 V CA -1.197 61.099 62.300 -0.006 0.000 0.818 372 V CB 1.088 32.910 31.823 -0.001 0.000 1.019 372 V HN 0.764 nan 8.190 nan 0.000 0.434 373 N N 6.510 125.205 118.700 -0.008 0.000 2.492 373 N HA 0.208 4.948 4.740 -0.000 0.000 0.262 373 N C -2.117 173.394 175.510 0.002 0.000 1.202 373 N CA -1.400 51.643 53.050 -0.011 0.000 0.926 373 N CB 0.974 39.456 38.487 -0.009 0.000 1.078 373 N HN 0.383 nan 8.380 nan 0.000 0.454 374 P HA 0.057 nan 4.420 nan 0.000 0.237 374 P C 0.738 178.066 177.300 0.046 0.000 1.788 374 P CA -0.134 62.983 63.100 0.029 0.000 1.061 374 P CB -0.485 31.226 31.700 0.018 0.000 1.967 375 T N -1.521 113.060 114.554 0.046 0.000 2.746 375 T HA -0.198 4.152 4.350 -0.000 0.000 0.267 375 T C 1.699 176.442 174.700 0.071 0.000 1.039 375 T CA 1.017 63.143 62.100 0.044 0.000 1.142 375 T CB -0.480 68.409 68.868 0.037 0.000 0.866 375 T HN 0.085 nan 8.240 nan 0.000 0.444 376 Q N 0.337 120.211 119.800 0.123 0.000 2.119 376 Q HA 0.010 4.350 4.340 -0.000 0.000 0.201 376 Q C 2.800 178.927 176.000 0.213 0.000 0.972 376 Q CA 1.213 57.141 55.803 0.209 0.000 0.847 376 Q CB -1.057 27.862 28.738 0.302 0.000 0.903 376 Q HN 0.642 nan 8.270 nan 0.000 0.433 377 C N 1.221 120.650 119.300 0.216 0.000 2.413 377 C HA -0.138 4.322 4.460 -0.000 0.000 0.277 377 C C 2.506 177.474 174.990 -0.037 0.000 1.265 377 C CA 0.788 59.836 59.018 0.051 0.000 1.752 377 C CB -0.790 27.007 27.740 0.096 0.000 1.998 377 C HN 0.555 nan 8.230 nan 0.000 0.489 378 E N 1.030 121.232 120.200 0.003 0.000 2.047 378 E HA -0.129 4.221 4.350 -0.000 0.000 0.191 378 E C 2.441 179.029 176.600 -0.021 0.000 0.987 378 E CA 1.283 57.676 56.400 -0.012 0.000 0.799 378 E CB -0.331 29.369 29.700 0.001 0.000 0.752 378 E HN 0.642 nan 8.360 nan 0.000 0.449 379 A N 1.230 124.047 122.820 -0.004 0.000 1.917 379 A HA -0.255 4.065 4.320 -0.000 0.000 0.219 379 A C 2.163 179.716 177.584 -0.052 0.000 1.182 379 A CA 1.959 53.991 52.037 -0.009 0.000 0.633 379 A CB -0.475 18.539 19.000 0.023 0.000 0.819 379 A HN 0.237 nan 8.150 nan 0.000 0.448 380 M N 0.689 120.224 119.600 -0.109 0.000 2.200 380 M HA -0.091 4.389 4.480 -0.000 0.000 0.265 380 M C 2.122 178.314 176.300 -0.180 0.000 1.066 380 M CA 2.599 57.775 55.300 -0.205 0.000 1.127 380 M CB -0.912 31.403 32.600 -0.476 0.000 1.379 380 M HN 0.550 nan 8.290 nan 0.000 0.420 381 T N -1.924 112.538 114.554 -0.153 0.000 2.857 381 T HA -0.091 4.259 4.350 -0.000 0.000 0.266 381 T C 1.892 176.551 174.700 -0.068 0.000 1.048 381 T CA 1.471 63.506 62.100 -0.108 0.000 1.139 381 T CB -0.575 68.244 68.868 -0.082 0.000 0.874 381 T HN 0.451 nan 8.240 nan 0.000 0.455 382 M N 0.709 120.278 119.600 -0.052 0.000 2.117 382 M HA -0.053 4.427 4.480 -0.000 0.000 0.262 382 M C 2.529 178.804 176.300 -0.042 0.000 1.065 382 M CA 1.308 56.589 55.300 -0.033 0.000 1.114 382 M CB -0.607 31.983 32.600 -0.017 0.000 1.361 382 M HN 0.171 nan 8.290 nan 0.000 0.408 383 V N 0.343 120.220 119.914 -0.061 0.000 2.343 383 V HA -0.261 3.859 4.120 -0.000 0.000 0.247 383 V C 2.597 178.642 176.094 -0.082 0.000 1.051 383 V CA 2.025 64.279 62.300 -0.077 0.000 1.036 383 V CB -1.044 30.728 31.823 -0.084 0.000 0.654 383 V HN 0.519 nan 8.190 nan 0.000 0.451 384 A N -0.109 122.660 122.820 -0.084 0.000 1.877 384 A HA -0.118 4.202 4.320 -0.000 0.000 0.216 384 A C 2.450 180.002 177.584 -0.053 0.000 1.186 384 A CA 2.049 54.039 52.037 -0.079 0.000 0.620 384 A CB -0.878 18.066 19.000 -0.093 0.000 0.822 384 A HN 0.573 nan 8.150 nan 0.000 0.443 385 A N -0.904 121.891 122.820 -0.042 0.000 1.917 385 A HA -0.262 4.058 4.320 -0.000 0.000 0.219 385 A C 2.163 179.741 177.584 -0.009 0.000 1.182 385 A CA 2.299 54.324 52.037 -0.020 0.000 0.633 385 A CB -0.575 18.418 19.000 -0.013 0.000 0.819 385 A HN 0.561 nan 8.150 nan 0.000 0.448 386 Q N -0.247 119.541 119.800 -0.020 0.000 2.124 386 Q HA -0.090 4.249 4.340 -0.000 0.000 0.202 386 Q C 1.826 177.819 176.000 -0.012 0.000 0.977 386 Q CA 1.971 57.767 55.803 -0.011 0.000 0.850 386 Q CB -0.526 28.184 28.738 -0.046 0.000 0.901 386 Q HN 0.357 nan 8.270 nan 0.000 0.429 387 V N 0.314 120.205 119.914 -0.038 0.000 2.490 387 V HA -0.282 3.838 4.120 -0.000 0.000 0.250 387 V C 2.169 178.283 176.094 0.033 0.000 1.061 387 V CA 1.961 64.249 62.300 -0.019 0.000 1.064 387 V CB -0.552 31.243 31.823 -0.046 0.000 0.670 387 V HN 0.444 nan 8.190 nan 0.000 0.461 388 M N 0.180 119.794 119.600 0.024 0.000 2.132 388 M HA -0.021 4.459 4.480 -0.000 0.000 0.263 388 M C 2.299 178.651 176.300 0.086 0.000 1.065 388 M CA 2.040 57.372 55.300 0.053 0.000 1.122 388 M CB -0.806 31.807 32.600 0.022 0.000 1.365 388 M HN 0.443 nan 8.290 nan 0.000 0.411 389 G N 0.317 109.156 108.800 0.064 0.000 2.402 389 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.216 389 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.216 389 G C 1.266 176.217 174.900 0.085 0.000 1.162 389 G CA 0.796 45.936 45.100 0.067 0.000 0.777 389 G HN 0.340 nan 8.290 nan 0.000 0.539 390 N N 0.292 119.054 118.700 0.102 0.000 2.137 390 N HA -0.136 4.604 4.740 -0.000 0.000 0.190 390 N C 1.826 177.407 175.510 0.118 0.000 1.017 390 N CA 1.406 54.531 53.050 0.124 0.000 0.859 390 N CB -0.541 38.023 38.487 0.129 0.000 1.002 390 N HN 0.547 nan 8.380 nan 0.000 0.428 391 H N 0.290 119.380 119.070 0.034 0.000 2.389 391 H HA 0.068 4.624 4.556 -0.000 0.000 0.299 391 H C 1.791 177.132 175.328 0.022 0.000 1.081 391 H CA 1.123 57.184 56.048 0.022 0.000 1.345 391 H CB -0.156 29.610 29.762 0.007 0.000 1.393 391 H HN -0.057 nan 8.280 nan 0.000 0.520 392 V N 0.739 120.620 119.914 -0.055 0.000 2.295 392 V HA -0.250 3.870 4.120 -0.000 0.000 0.246 392 V C 2.777 178.824 176.094 -0.078 0.000 1.049 392 V CA 1.603 63.848 62.300 -0.092 0.000 1.024 392 V CB -1.385 30.431 31.823 -0.012 0.000 0.648 392 V HN 0.679 nan 8.190 nan 0.000 0.447 393 A N 0.017 122.833 122.820 -0.005 0.000 1.884 393 A HA -0.228 4.092 4.320 -0.000 0.000 0.219 393 A C 2.414 180.002 177.584 0.007 0.000 1.197 393 A CA 2.559 54.618 52.037 0.037 0.000 0.637 393 A CB -0.915 18.148 19.000 0.107 0.000 0.827 393 A HN 0.339 nan 8.150 nan 0.000 0.450 394 V N -0.400 119.501 119.914 -0.022 0.000 2.295 394 V HA -0.233 3.887 4.120 -0.000 0.000 0.246 394 V C 2.759 178.788 176.094 -0.107 0.000 1.049 394 V CA 2.485 64.768 62.300 -0.029 0.000 1.024 394 V CB -1.312 30.509 31.823 -0.003 0.000 0.648 394 V HN 0.648 nan 8.190 nan 0.000 0.447 395 T N 0.128 114.546 114.554 -0.227 0.000 2.684 395 T HA -0.188 4.162 4.350 -0.000 0.000 0.267 395 T C 1.952 176.543 174.700 -0.181 0.000 1.036 395 T CA 1.799 63.759 62.100 -0.233 0.000 1.148 395 T CB -0.321 68.357 68.868 -0.318 0.000 0.863 395 T HN 0.285 nan 8.240 nan 0.000 0.436 396 V N 1.457 121.275 119.914 -0.160 0.000 2.295 396 V HA -0.129 3.990 4.120 -0.000 0.000 0.246 396 V C 2.889 178.774 176.094 -0.349 0.000 1.049 396 V CA 2.016 64.205 62.300 -0.185 0.000 1.024 396 V CB -1.469 30.289 31.823 -0.109 0.000 0.648 396 V HN 0.612 nan 8.190 nan 0.000 0.447 397 G N 0.108 108.729 108.800 -0.299 0.000 2.446 397 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.217 397 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.217 397 G C 1.633 176.277 174.900 -0.427 0.000 1.168 397 G CA 1.002 45.813 45.100 -0.481 0.000 0.771 397 G HN 0.599 nan 8.290 nan 0.000 0.551 398 G N 0.726 109.410 108.800 -0.193 0.000 2.432 398 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.219 398 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.219 398 G C 2.178 176.972 174.900 -0.178 0.000 1.135 398 G CA 1.800 46.830 45.100 -0.117 0.000 0.767 398 G HN 0.755 nan 8.290 nan 0.000 0.550 399 S N 0.370 115.935 115.700 -0.225 0.000 2.442 399 S HA -0.025 4.445 4.470 -0.000 0.000 0.236 399 S C 1.527 175.960 174.600 -0.277 0.000 1.007 399 S CA 0.964 59.037 58.200 -0.213 0.000 0.965 399 S CB -0.121 62.967 63.200 -0.187 0.000 0.773 399 S HN 0.235 nan 8.310 nan 0.000 0.504 400 N N 1.841 120.276 118.700 -0.441 0.000 2.389 400 N HA 0.299 5.039 4.740 -0.000 0.000 0.260 400 N C 0.337 175.502 175.510 -0.575 0.000 1.191 400 N CA 0.204 52.929 53.050 -0.542 0.000 0.885 400 N CB 0.639 38.607 38.487 -0.866 0.000 1.162 400 N HN 0.529 nan 8.380 nan 0.000 0.512 401 G N -0.342 108.222 108.800 -0.393 0.000 2.491 401 G HA2 0.115 4.075 3.960 -0.000 0.000 0.238 401 G HA3 0.115 4.075 3.960 -0.000 0.000 0.238 401 G C -0.749 173.843 174.900 -0.514 0.000 1.277 401 G CA 0.013 44.920 45.100 -0.321 0.000 0.851 401 G HN 0.415 nan 8.290 nan 0.000 0.573 402 H N 1.008 120.029 119.070 -0.082 0.000 2.727 402 H HA 0.434 4.990 4.556 -0.000 0.000 0.330 402 H C 0.072 175.294 175.328 -0.176 0.000 0.986 402 H CA -0.733 55.117 56.048 -0.329 0.000 1.251 402 H CB 0.970 30.590 29.762 -0.237 0.000 1.493 402 H HN 0.494 nan 8.280 nan 0.000 0.515 403 F N 0.455 120.498 119.950 0.155 0.000 2.426 403 F HA -0.410 4.117 4.527 -0.000 0.000 0.283 403 F C 1.742 177.601 175.800 0.098 0.000 1.467 403 F CA 1.315 59.379 58.000 0.106 0.000 1.793 403 F CB -0.969 38.091 39.000 0.101 0.000 1.994 403 F HN 0.464 nan 8.300 nan 0.000 0.187 404 E N 0.421 120.824 120.200 0.338 0.000 2.481 404 E HA 0.336 4.686 4.350 -0.000 0.000 0.195 404 E C -0.286 176.415 176.600 0.169 0.000 1.047 404 E CA 0.488 57.027 56.400 0.231 0.000 0.867 404 E CB 0.140 29.968 29.700 0.214 0.000 0.858 404 E HN 0.310 nan 8.360 nan 0.000 0.513 405 L N 0.811 122.132 121.223 0.164 0.000 2.516 405 L HA 0.327 4.667 4.340 -0.000 0.000 0.267 405 L C -1.359 175.578 176.870 0.111 0.000 0.957 405 L CA -0.505 54.409 54.840 0.124 0.000 0.860 405 L CB 1.659 43.798 42.059 0.133 0.000 1.265 405 L HN -0.179 nan 8.230 nan 0.000 0.403 406 N N 3.861 122.606 118.700 0.074 0.000 2.420 406 N HA 0.161 4.901 4.740 -0.000 0.000 0.262 406 N C -0.149 175.484 175.510 0.205 0.000 1.144 406 N CA -0.003 53.116 53.050 0.115 0.000 0.952 406 N CB 1.363 39.896 38.487 0.077 0.000 1.081 406 N HN 0.500 nan 8.380 nan 0.000 0.480 407 V N 2.079 122.125 119.914 0.219 0.000 2.908 407 V HA 0.420 4.540 4.120 -0.000 0.000 0.369 407 V C -0.293 175.739 176.094 -0.104 0.000 1.259 407 V CA -0.381 61.960 62.300 0.068 0.000 1.406 407 V CB -1.384 30.447 31.823 0.014 0.000 1.475 407 V HN 0.399 nan 8.190 nan 0.000 0.587 408 F N 0.096 120.058 119.950 0.020 0.000 2.764 408 F HA 0.468 4.995 4.527 -0.000 0.000 0.310 408 F C 1.723 177.511 175.800 -0.021 0.000 1.124 408 F CA -0.659 57.349 58.000 0.013 0.000 1.252 408 F CB 0.611 39.630 39.000 0.032 0.000 1.010 408 F HN 0.113 nan 8.300 nan 0.000 0.518 409 K N 0.589 121.008 120.400 0.030 0.000 2.001 409 K HA -0.079 4.241 4.320 -0.000 0.000 0.208 409 K C -0.747 175.834 176.600 -0.032 0.000 1.048 409 K CA 1.464 57.730 56.287 -0.036 0.000 0.932 409 K CB -1.314 31.129 32.500 -0.094 0.000 0.715 409 K HN 0.165 nan 8.250 nan 0.000 0.437 410 P HA -0.197 nan 4.420 nan 0.000 0.215 410 P C 1.467 178.678 177.300 -0.147 0.000 1.153 410 P CA 1.146 64.142 63.100 -0.172 0.000 0.853 410 P CB -0.008 31.445 31.700 -0.413 0.000 0.788 411 M N -1.320 118.186 119.600 -0.157 0.000 2.086 411 M HA -0.153 4.327 4.480 -0.000 0.000 0.261 411 M C 1.949 178.281 176.300 0.054 0.000 1.067 411 M CA 2.040 57.300 55.300 -0.067 0.000 1.116 411 M CB -0.977 31.730 32.600 0.177 0.000 1.348 411 M HN -0.063 nan 8.290 nan 0.000 0.407 412 M N -0.385 119.269 119.600 0.089 0.000 2.065 412 M HA -0.236 4.244 4.480 -0.000 0.000 0.259 412 M C 2.118 178.459 176.300 0.068 0.000 1.069 412 M CA 1.556 56.910 55.300 0.089 0.000 1.110 412 M CB -0.696 31.960 32.600 0.093 0.000 1.328 412 M HN 0.296 nan 8.290 nan 0.000 0.405 413 I N 0.390 120.994 120.570 0.058 0.000 2.394 413 I HA -0.211 3.959 4.170 -0.000 0.000 0.251 413 I C 2.497 178.640 176.117 0.044 0.000 1.136 413 I CA 1.520 62.849 61.300 0.049 0.000 1.425 413 I CB -0.534 37.490 38.000 0.039 0.000 1.079 413 I HN 0.088 nan 8.210 nan 0.000 0.425 414 K N 0.552 120.965 120.400 0.023 0.000 2.032 414 K HA -0.185 4.135 4.320 -0.000 0.000 0.209 414 K C 2.006 178.656 176.600 0.084 0.000 1.048 414 K CA 1.997 58.289 56.287 0.009 0.000 0.927 414 K CB -0.935 31.515 32.500 -0.084 0.000 0.712 414 K HN 0.607 nan 8.250 nan 0.000 0.441 415 N N 0.148 118.914 118.700 0.109 0.000 2.120 415 N HA -0.097 4.643 4.740 -0.000 0.000 0.188 415 N C 1.879 177.475 175.510 0.144 0.000 1.024 415 N CA 1.759 54.908 53.050 0.164 0.000 0.852 415 N CB -0.424 38.153 38.487 0.150 0.000 1.003 415 N HN 0.215 nan 8.380 nan 0.000 0.424 416 V N 2.075 122.051 119.914 0.104 0.000 2.295 416 V HA -0.187 3.933 4.120 -0.000 0.000 0.246 416 V C 2.459 178.597 176.094 0.073 0.000 1.049 416 V CA 1.288 63.636 62.300 0.080 0.000 1.024 416 V CB -0.475 31.386 31.823 0.063 0.000 0.648 416 V HN 0.228 nan 8.190 nan 0.000 0.447 417 L N -0.948 120.323 121.223 0.080 0.000 2.093 417 L HA -0.174 4.166 4.340 -0.000 0.000 0.208 417 L C 2.558 179.502 176.870 0.124 0.000 1.085 417 L CA 1.811 56.697 54.840 0.077 0.000 0.755 417 L CB -0.809 41.286 42.059 0.060 0.000 0.904 417 L HN 0.470 nan 8.230 nan 0.000 0.435 418 H N -0.413 118.676 119.070 0.030 0.000 2.319 418 H HA -0.166 4.390 4.556 -0.000 0.000 0.299 418 H C 2.375 177.722 175.328 0.032 0.000 1.092 418 H CA 1.624 57.694 56.048 0.036 0.000 1.302 418 H CB 0.446 30.238 29.762 0.049 0.000 1.373 418 H HN 0.250 nan 8.280 nan 0.000 0.497 419 S N 0.285 115.983 115.700 -0.003 0.000 2.368 419 S HA -0.131 4.339 4.470 -0.000 0.000 0.225 419 S C 2.392 176.965 174.600 -0.044 0.000 1.030 419 S CA 0.842 59.001 58.200 -0.069 0.000 0.999 419 S CB -0.327 62.866 63.200 -0.011 0.000 0.844 419 S HN 0.593 nan 8.310 nan 0.000 0.459 420 A N 1.854 124.671 122.820 -0.005 0.000 1.902 420 A HA -0.136 4.184 4.320 -0.000 0.000 0.217 420 A C 2.059 179.641 177.584 -0.003 0.000 1.181 420 A CA 1.966 53.999 52.037 -0.006 0.000 0.623 420 A CB -0.505 18.498 19.000 0.006 0.000 0.818 420 A HN 0.428 nan 8.150 nan 0.000 0.443 421 R N -0.023 120.485 120.500 0.013 0.000 2.073 421 R HA 0.092 4.432 4.340 -0.000 0.000 0.229 421 R C 1.842 178.145 176.300 0.003 0.000 1.120 421 R CA 1.434 57.548 56.100 0.024 0.000 0.967 421 R CB -0.727 29.608 30.300 0.057 0.000 0.862 421 R HN 0.454 nan 8.270 nan 0.000 0.436 422 L N 0.188 121.389 121.223 -0.038 0.000 2.046 422 L HA -0.141 4.199 4.340 -0.000 0.000 0.208 422 L C 2.406 179.248 176.870 -0.048 0.000 1.077 422 L CA 1.279 56.081 54.840 -0.064 0.000 0.747 422 L CB -0.523 41.436 42.059 -0.165 0.000 0.896 422 L HN 0.241 nan 8.230 nan 0.000 0.432 423 L N -0.496 120.695 121.223 -0.053 0.000 2.017 423 L HA -0.158 4.182 4.340 -0.000 0.000 0.208 423 L C 2.692 179.554 176.870 -0.014 0.000 1.073 423 L CA 1.554 56.369 54.840 -0.041 0.000 0.745 423 L CB -1.190 40.843 42.059 -0.044 0.000 0.894 423 L HN 0.326 nan 8.230 nan 0.000 0.432 424 G N -0.262 108.535 108.800 -0.005 0.000 2.459 424 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.217 424 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.217 424 G C 1.099 176.014 174.900 0.024 0.000 1.183 424 G CA 1.075 46.182 45.100 0.012 0.000 0.776 424 G HN 0.309 nan 8.290 nan 0.000 0.552 425 D N 0.894 121.308 120.400 0.023 0.000 2.117 425 D HA 0.027 4.667 4.640 -0.000 0.000 0.198 425 D C 2.787 179.112 176.300 0.041 0.000 0.982 425 D CA 1.185 55.205 54.000 0.033 0.000 0.828 425 D CB -0.512 40.307 40.800 0.032 0.000 0.967 425 D HN 0.308 nan 8.370 nan 0.000 0.464 426 A N 0.450 123.287 122.820 0.028 0.000 1.933 426 A HA -0.140 4.180 4.320 -0.000 0.000 0.218 426 A C 2.394 180.029 177.584 0.084 0.000 1.175 426 A CA 1.704 53.762 52.037 0.036 0.000 0.628 426 A CB -0.541 18.449 19.000 -0.017 0.000 0.814 426 A HN 0.150 nan 8.150 nan 0.000 0.444 427 S N -0.352 115.390 115.700 0.069 0.000 2.368 427 S HA -0.136 4.334 4.470 -0.000 0.000 0.225 427 S C 1.901 176.585 174.600 0.140 0.000 1.030 427 S CA 1.437 59.709 58.200 0.119 0.000 0.999 427 S CB -0.490 62.757 63.200 0.079 0.000 0.844 427 S HN 0.354 nan 8.310 nan 0.000 0.459 428 V N 1.147 121.116 119.914 0.092 0.000 2.287 428 V HA -0.165 3.955 4.120 -0.000 0.000 0.248 428 V C 2.566 178.708 176.094 0.080 0.000 1.053 428 V CA 2.069 64.413 62.300 0.074 0.000 1.027 428 V CB -0.813 31.042 31.823 0.053 0.000 0.646 428 V HN 0.532 nan 8.190 nan 0.000 0.447 429 S N -0.987 114.771 115.700 0.096 0.000 2.387 429 S HA -0.151 4.319 4.470 -0.000 0.000 0.226 429 S C 1.881 176.562 174.600 0.134 0.000 1.026 429 S CA 1.336 59.593 58.200 0.094 0.000 0.972 429 S CB -0.397 62.857 63.200 0.090 0.000 0.814 429 S HN 0.536 nan 8.310 nan 0.000 0.477 430 F N 2.482 122.438 119.950 0.009 0.000 2.134 430 F HA -0.060 4.467 4.527 -0.000 0.000 0.299 430 F C 2.352 178.165 175.800 0.021 0.000 1.097 430 F CA 1.980 59.985 58.000 0.009 0.000 1.264 430 F CB -1.118 37.881 39.000 -0.002 0.000 1.001 430 F HN 0.177 nan 8.300 nan 0.000 0.479 431 T N -0.011 114.540 114.554 -0.005 0.000 2.643 431 T HA -0.215 4.135 4.350 -0.000 0.000 0.264 431 T C 1.818 176.461 174.700 -0.095 0.000 1.045 431 T CA 1.931 63.982 62.100 -0.083 0.000 1.155 431 T CB -0.401 68.475 68.868 0.013 0.000 0.863 431 T HN 0.328 nan 8.240 nan 0.000 0.420 432 E N 0.805 120.985 120.200 -0.033 0.000 2.106 432 E HA -0.056 4.293 4.350 -0.000 0.000 0.192 432 E C 1.707 178.284 176.600 -0.037 0.000 0.984 432 E CA 0.782 57.167 56.400 -0.024 0.000 0.806 432 E CB 0.033 29.735 29.700 0.002 0.000 0.750 432 E HN 0.326 nan 8.360 nan 0.000 0.458 433 N N -1.163 117.513 118.700 -0.040 0.000 2.236 433 N HA 0.042 4.782 4.740 -0.000 0.000 0.196 433 N C 0.740 176.211 175.510 -0.065 0.000 1.114 433 N CA 0.162 53.194 53.050 -0.030 0.000 0.859 433 N CB 0.828 39.321 38.487 0.010 0.000 0.982 433 N HN 0.128 nan 8.380 nan 0.000 0.493 434 C N -1.359 117.839 119.300 -0.170 0.000 2.845 434 C HA 0.249 4.709 4.460 -0.000 0.000 0.393 434 C C 2.345 177.185 174.990 -0.249 0.000 1.712 434 C CA 0.090 58.967 59.018 -0.236 0.000 2.337 434 C CB -0.263 27.227 27.740 -0.417 0.000 2.312 434 C HN 0.042 nan 8.230 nan 0.000 0.623 435 V N 2.939 122.616 119.914 -0.396 0.000 2.295 435 V HA -0.152 3.968 4.120 -0.000 0.000 0.246 435 V C 2.647 178.683 176.094 -0.096 0.000 1.049 435 V CA 2.569 64.726 62.300 -0.238 0.000 1.024 435 V CB -0.868 30.801 31.823 -0.256 0.000 0.648 435 V HN 0.668 nan 8.190 nan 0.000 0.447 436 V N -0.281 119.573 119.914 -0.101 0.000 2.568 436 V HA -0.059 4.061 4.120 -0.000 0.000 0.253 436 V C 2.064 178.128 176.094 -0.050 0.000 1.072 436 V CA 2.248 64.506 62.300 -0.069 0.000 1.084 436 V CB -1.336 30.453 31.823 -0.056 0.000 0.676 436 V HN 0.454 nan 8.190 nan 0.000 0.469 437 G N -0.524 108.252 108.800 -0.040 0.000 3.126 437 G HA2 0.320 4.280 3.960 -0.000 0.000 0.224 437 G HA3 0.320 4.280 3.960 -0.000 0.000 0.224 437 G C 0.545 175.456 174.900 0.019 0.000 1.142 437 G CA -0.388 44.704 45.100 -0.013 0.000 0.759 437 G HN 0.513 nan 8.290 nan 0.000 0.550 438 I N 1.358 121.953 120.570 0.042 0.000 2.752 438 I HA 0.004 4.174 4.170 -0.000 0.000 0.289 438 I C 0.315 176.535 176.117 0.172 0.000 1.197 438 I CA 0.721 62.090 61.300 0.114 0.000 1.432 438 I CB 0.568 38.690 38.000 0.203 0.000 1.359 438 I HN 0.160 nan 8.210 nan 0.000 0.571 439 Q N 4.533 124.400 119.800 0.113 0.000 2.399 439 Q HA 0.704 5.044 4.340 -0.000 0.000 0.276 439 Q C -0.699 175.264 176.000 -0.061 0.000 1.098 439 Q CA -1.032 54.828 55.803 0.096 0.000 0.827 439 Q CB 2.380 31.148 28.738 0.050 0.000 1.386 439 Q HN 0.769 nan 8.270 nan 0.000 0.443 440 A N 1.816 124.518 122.820 -0.197 0.000 2.331 440 A HA 0.254 4.574 4.320 -0.000 0.000 0.283 440 A C -0.232 177.266 177.584 -0.143 0.000 1.142 440 A CA -0.442 51.404 52.037 -0.318 0.000 0.812 440 A CB 0.266 18.951 19.000 -0.526 0.000 1.074 440 A HN 0.626 nan 8.150 nan 0.000 0.497 441 N N 2.178 120.810 118.700 -0.114 0.000 2.555 441 N HA 0.052 4.792 4.740 -0.000 0.000 0.244 441 N C 1.287 176.755 175.510 -0.071 0.000 1.114 441 N CA 0.535 53.545 53.050 -0.068 0.000 0.963 441 N CB 0.518 38.979 38.487 -0.043 0.000 1.276 441 N HN 0.680 nan 8.380 nan 0.000 0.510 442 T N 0.163 114.677 114.554 -0.067 0.000 2.867 442 T HA -0.087 4.263 4.350 -0.000 0.000 0.268 442 T C 1.274 175.951 174.700 -0.038 0.000 1.057 442 T CA 1.028 63.093 62.100 -0.059 0.000 1.136 442 T CB -0.018 68.823 68.868 -0.045 0.000 0.874 442 T HN 0.450 nan 8.240 nan 0.000 0.466 443 E N 1.015 121.197 120.200 -0.029 0.000 2.047 443 E HA -0.101 4.249 4.350 -0.000 0.000 0.191 443 E C 2.487 179.075 176.600 -0.019 0.000 0.987 443 E CA 0.922 57.310 56.400 -0.020 0.000 0.799 443 E CB -0.153 29.538 29.700 -0.015 0.000 0.752 443 E HN 0.480 nan 8.360 nan 0.000 0.449 444 R N 0.966 121.454 120.500 -0.021 0.000 2.075 444 R HA -0.100 4.240 4.340 -0.000 0.000 0.232 444 R C 2.348 178.637 176.300 -0.017 0.000 1.126 444 R CA 0.953 57.043 56.100 -0.016 0.000 0.963 444 R CB -0.183 30.109 30.300 -0.014 0.000 0.858 444 R HN 0.118 nan 8.270 nan 0.000 0.435 445 I N 1.235 121.788 120.570 -0.029 0.000 2.151 445 I HA -0.355 3.815 4.170 -0.000 0.000 0.243 445 I C 2.140 178.244 176.117 -0.021 0.000 1.080 445 I CA 1.707 62.988 61.300 -0.031 0.000 1.339 445 I CB -0.514 37.452 38.000 -0.057 0.000 1.039 445 I HN 0.348 nan 8.210 nan 0.000 0.409 446 N N 1.076 119.763 118.700 -0.022 0.000 2.084 446 N HA -0.245 4.495 4.740 -0.000 0.000 0.190 446 N C 1.815 177.319 175.510 -0.010 0.000 1.030 446 N CA 1.585 54.625 53.050 -0.015 0.000 0.849 446 N CB -0.126 38.352 38.487 -0.015 0.000 1.012 446 N HN 0.203 nan 8.380 nan 0.000 0.423 447 K N 0.180 120.575 120.400 -0.009 0.000 2.025 447 K HA -0.055 4.265 4.320 -0.000 0.000 0.207 447 K C 1.976 178.575 176.600 -0.003 0.000 1.049 447 K CA 0.955 57.239 56.287 -0.005 0.000 0.933 447 K CB -0.188 32.309 32.500 -0.004 0.000 0.714 447 K HN 0.194 nan 8.250 nan 0.000 0.438 448 L N 0.806 122.028 121.223 -0.002 0.000 2.079 448 L HA -0.208 4.132 4.340 -0.000 0.000 0.210 448 L C 2.812 179.681 176.870 -0.000 0.000 1.081 448 L CA 1.018 55.859 54.840 0.001 0.000 0.752 448 L CB -0.389 41.672 42.059 0.004 0.000 0.896 448 L HN 0.438 nan 8.230 nan 0.000 0.433 449 M N -0.097 119.501 119.600 -0.003 0.000 2.160 449 M HA -0.118 4.362 4.480 -0.000 0.000 0.264 449 M C 1.903 178.200 176.300 -0.004 0.000 1.073 449 M CA 1.658 56.956 55.300 -0.003 0.000 1.142 449 M CB -0.708 31.889 32.600 -0.005 0.000 1.358 449 M HN 0.242 nan 8.290 nan 0.000 0.422 450 N N 1.612 120.309 118.700 -0.005 0.000 2.272 450 N HA -0.149 4.591 4.740 -0.000 0.000 0.185 450 N C 1.705 177.212 175.510 -0.005 0.000 1.014 450 N CA 1.937 54.984 53.050 -0.005 0.000 0.870 450 N CB -0.402 38.082 38.487 -0.006 0.000 0.975 450 N HN 0.671 nan 8.380 nan 0.000 0.433 451 E N 0.574 120.772 120.200 -0.003 0.000 2.358 451 E HA 0.008 4.358 4.350 -0.000 0.000 0.195 451 E C 0.872 177.468 176.600 -0.006 0.000 1.010 451 E CA 0.135 56.534 56.400 -0.002 0.000 0.856 451 E CB -0.363 29.338 29.700 0.002 0.000 0.795 451 E HN 0.202 nan 8.360 nan 0.000 0.504 452 S N 0.184 115.878 115.700 -0.009 0.000 2.546 452 S HA 0.153 4.623 4.470 -0.000 0.000 0.290 452 S C 1.289 175.875 174.600 -0.023 0.000 1.262 452 S CA -0.267 57.922 58.200 -0.017 0.000 1.083 452 S CB -0.113 63.079 63.200 -0.013 0.000 0.859 452 S HN 0.467 nan 8.310 nan 0.000 0.495 453 L N 4.568 125.769 121.223 -0.037 0.000 2.187 453 L HA -0.124 4.216 4.340 -0.000 0.000 0.213 453 L C 1.998 178.843 176.870 -0.043 0.000 1.100 453 L CA 0.896 55.711 54.840 -0.041 0.000 0.765 453 L CB -0.317 41.701 42.059 -0.068 0.000 0.904 453 L HN 0.684 nan 8.230 nan 0.000 0.437 454 M N -0.690 118.886 119.600 -0.041 0.000 2.659 454 M HA -0.026 4.454 4.480 -0.000 0.000 0.243 454 M C 2.007 178.293 176.300 -0.024 0.000 1.111 454 M CA 0.814 56.091 55.300 -0.037 0.000 1.070 454 M CB -0.637 31.946 32.600 -0.030 0.000 1.525 454 M HN 0.272 nan 8.290 nan 0.000 0.517 455 L N -1.112 120.100 121.223 -0.019 0.000 2.261 455 L HA -0.173 4.167 4.340 -0.000 0.000 0.216 455 L C 2.372 179.234 176.870 -0.013 0.000 1.114 455 L CA 0.489 55.322 54.840 -0.012 0.000 0.777 455 L CB -0.808 41.245 42.059 -0.010 0.000 0.910 455 L HN 0.104 nan 8.230 nan 0.000 0.440 456 V N 0.097 119.997 119.914 -0.024 0.000 2.568 456 V HA -0.304 3.815 4.120 -0.000 0.000 0.253 456 V C 2.402 178.476 176.094 -0.033 0.000 1.072 456 V CA 2.399 64.681 62.300 -0.029 0.000 1.084 456 V CB -0.372 31.424 31.823 -0.046 0.000 0.676 456 V HN 0.560 nan 8.190 nan 0.000 0.469 457 T N 0.582 115.115 114.554 -0.035 0.000 2.721 457 T HA -0.297 4.053 4.350 -0.000 0.000 0.268 457 T C 2.000 176.711 174.700 0.018 0.000 1.038 457 T CA 1.679 63.769 62.100 -0.017 0.000 1.145 457 T CB -0.597 68.270 68.868 -0.002 0.000 0.858 457 T HN 0.716 nan 8.240 nan 0.000 0.459 458 A N 1.327 124.163 122.820 0.025 0.000 1.917 458 A HA -0.065 4.255 4.320 -0.000 0.000 0.219 458 A C 2.185 179.833 177.584 0.107 0.000 1.182 458 A CA 1.411 53.481 52.037 0.055 0.000 0.633 458 A CB -0.849 18.168 19.000 0.029 0.000 0.819 458 A HN 0.552 nan 8.150 nan 0.000 0.448 459 L N -0.613 120.652 121.223 0.070 0.000 2.552 459 L HA -0.057 4.283 4.340 -0.000 0.000 0.227 459 L C 2.820 179.756 176.870 0.111 0.000 1.146 459 L CA 0.457 55.358 54.840 0.102 0.000 0.858 459 L CB -1.259 40.825 42.059 0.042 0.000 0.969 459 L HN 0.646 nan 8.230 nan 0.000 0.451 460 N N 1.979 120.720 118.700 0.069 0.000 2.006 460 N HA -0.179 4.561 4.740 -0.000 0.000 0.196 460 N C -0.246 175.286 175.510 0.037 0.000 1.057 460 N CA 1.834 54.914 53.050 0.049 0.000 0.853 460 N CB -2.324 36.196 38.487 0.055 0.000 1.051 460 N HN 0.251 nan 8.380 nan 0.000 0.423 461 P HA -0.112 nan 4.420 nan 0.000 0.226 461 P C -0.041 177.120 177.300 -0.233 0.000 1.146 461 P CA 1.308 64.335 63.100 -0.121 0.000 0.773 461 P CB -0.229 31.362 31.700 -0.182 0.000 0.772 462 H N -0.451 118.619 119.070 0.001 0.000 2.406 462 H HA 0.210 4.766 4.556 -0.000 0.000 0.304 462 H C 1.881 177.202 175.328 -0.012 0.000 1.042 462 H CA 0.939 56.986 56.048 -0.002 0.000 1.360 462 H CB -0.078 29.685 29.762 0.001 0.000 1.448 462 H HN 0.127 nan 8.280 nan 0.000 0.553 463 I N -2.935 117.694 120.570 0.098 0.000 4.240 463 I HA 0.503 4.673 4.170 -0.000 0.000 0.331 463 I C 0.335 176.436 176.117 -0.028 0.000 1.381 463 I CA 0.063 61.370 61.300 0.012 0.000 1.136 463 I CB 0.824 38.818 38.000 -0.010 0.000 1.137 463 I HN 0.245 nan 8.210 nan 0.000 0.411 464 G N 1.530 110.334 108.800 0.006 0.000 2.716 464 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.686 464 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.686 464 G C -0.135 174.797 174.900 0.052 0.000 1.337 464 G CA 0.176 45.292 45.100 0.026 0.000 0.829 464 G HN 0.438 nan 8.290 nan 0.000 0.599 465 Y N 0.517 120.803 120.300 -0.024 0.000 2.114 465 Y HA -0.194 4.356 4.550 -0.000 0.000 0.282 465 Y C 2.615 178.505 175.900 -0.016 0.000 1.165 465 Y CA 2.646 60.738 58.100 -0.014 0.000 1.148 465 Y CB 0.061 38.514 38.460 -0.012 0.000 0.972 465 Y HN 0.646 nan 8.280 nan 0.000 0.504 466 D N 0.061 120.604 120.400 0.239 0.000 2.097 466 D HA -0.192 4.447 4.640 -0.000 0.000 0.195 466 D C 2.347 178.652 176.300 0.009 0.000 0.989 466 D CA 2.142 56.235 54.000 0.155 0.000 0.827 466 D CB -0.248 40.614 40.800 0.105 0.000 0.966 466 D HN 0.487 nan 8.370 nan 0.000 0.456 467 K N 0.973 121.325 120.400 -0.079 0.000 2.211 467 K HA 0.136 4.456 4.320 -0.000 0.000 0.203 467 K C 2.070 178.653 176.600 -0.028 0.000 1.050 467 K CA 1.307 57.488 56.287 -0.178 0.000 0.945 467 K CB -0.690 31.508 32.500 -0.504 0.000 0.732 467 K HN 0.222 nan 8.250 nan 0.000 0.451 468 A N 0.927 123.703 122.820 -0.074 0.000 1.929 468 A HA 0.351 4.671 4.320 -0.000 0.000 0.216 468 A C 2.775 180.288 177.584 -0.118 0.000 1.176 468 A CA 1.653 53.640 52.037 -0.084 0.000 0.628 468 A CB -0.662 18.250 19.000 -0.148 0.000 0.816 468 A HN 0.800 nan 8.150 nan 0.000 0.444 469 A N -0.300 122.398 122.820 -0.203 0.000 1.933 469 A HA 0.046 4.366 4.320 -0.000 0.000 0.218 469 A C 2.359 179.934 177.584 -0.015 0.000 1.175 469 A CA 2.615 54.559 52.037 -0.156 0.000 0.628 469 A CB -0.819 18.088 19.000 -0.155 0.000 0.814 469 A HN 0.655 nan 8.150 nan 0.000 0.444 470 K N 0.121 120.551 120.400 0.050 0.000 2.025 470 K HA 0.039 4.359 4.320 -0.000 0.000 0.207 470 K C 1.854 178.512 176.600 0.097 0.000 1.049 470 K CA 1.406 57.758 56.287 0.108 0.000 0.933 470 K CB -1.065 31.561 32.500 0.210 0.000 0.714 470 K HN 0.531 nan 8.250 nan 0.000 0.438 471 I N 0.887 121.532 120.570 0.124 0.000 2.118 471 I HA -0.324 3.846 4.170 -0.000 0.000 0.241 471 I C 3.016 179.151 176.117 0.030 0.000 1.070 471 I CA 1.557 62.899 61.300 0.070 0.000 1.327 471 I CB -0.308 37.744 38.000 0.087 0.000 1.034 471 I HN 0.432 nan 8.210 nan 0.000 0.405 472 A N 0.725 123.553 122.820 0.013 0.000 1.877 472 A HA -0.241 4.079 4.320 -0.000 0.000 0.216 472 A C 2.605 180.216 177.584 0.046 0.000 1.186 472 A CA 2.600 54.639 52.037 0.004 0.000 0.620 472 A CB -0.974 18.001 19.000 -0.042 0.000 0.822 472 A HN 0.382 nan 8.150 nan 0.000 0.443 473 K N -1.001 119.430 120.400 0.052 0.000 2.057 473 K HA -0.085 4.235 4.320 -0.000 0.000 0.206 473 K C 2.004 178.655 176.600 0.084 0.000 1.050 473 K CA 2.204 58.545 56.287 0.091 0.000 0.935 473 K CB -1.757 30.784 32.500 0.068 0.000 0.715 473 K HN 0.525 nan 8.250 nan 0.000 0.439 474 T N 0.234 114.817 114.554 0.048 0.000 3.023 474 T HA 0.183 4.533 4.350 -0.000 0.000 0.266 474 T C 2.314 177.025 174.700 0.018 0.000 1.093 474 T CA 0.806 62.918 62.100 0.020 0.000 1.129 474 T CB -0.117 68.750 68.868 -0.002 0.000 0.899 474 T HN 0.568 nan 8.240 nan 0.000 0.491 475 A N 1.045 123.888 122.820 0.038 0.000 1.968 475 A HA -0.081 4.239 4.320 -0.000 0.000 0.217 475 A C 2.068 179.703 177.584 0.084 0.000 1.169 475 A CA 1.504 53.566 52.037 0.041 0.000 0.638 475 A CB -0.634 18.386 19.000 0.034 0.000 0.812 475 A HN 0.544 nan 8.150 nan 0.000 0.446 476 H N -0.183 118.880 119.070 -0.011 0.000 2.415 476 H HA 0.107 4.663 4.556 -0.000 0.000 0.297 476 H C 2.205 177.529 175.328 -0.006 0.000 1.048 476 H CA 2.427 58.471 56.048 -0.008 0.000 1.365 476 H CB -0.148 29.610 29.762 -0.007 0.000 1.421 476 H HN 0.391 nan 8.280 nan 0.000 0.533 477 K N 0.783 121.119 120.400 -0.107 0.000 2.001 477 K HA -0.074 4.246 4.320 -0.000 0.000 0.208 477 K C 2.012 178.554 176.600 -0.096 0.000 1.048 477 K CA 1.658 57.857 56.287 -0.147 0.000 0.932 477 K CB -0.856 31.601 32.500 -0.072 0.000 0.715 477 K HN 0.469 nan 8.250 nan 0.000 0.437 478 N N -0.593 118.079 118.700 -0.047 0.000 2.331 478 N HA 0.058 4.798 4.740 -0.000 0.000 0.180 478 N C 1.290 176.784 175.510 -0.026 0.000 1.019 478 N CA 1.199 54.228 53.050 -0.034 0.000 0.881 478 N CB 0.065 38.538 38.487 -0.024 0.000 0.972 478 N HN 0.763 nan 8.380 nan 0.000 0.435 479 G N -0.083 108.709 108.800 -0.013 0.000 2.225 479 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.264 479 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.264 479 G C -0.189 174.716 174.900 0.009 0.000 1.060 479 G CA 0.465 45.569 45.100 0.006 0.000 0.833 479 G HN 0.357 nan 8.290 nan 0.000 0.498 480 S N -0.852 114.854 115.700 0.009 0.000 2.745 480 S HA 0.795 5.265 4.470 -0.000 0.000 0.292 480 S C 0.776 175.380 174.600 0.007 0.000 1.133 480 S CA -0.140 58.061 58.200 0.001 0.000 0.998 480 S CB 1.337 64.532 63.200 -0.009 0.000 1.087 480 S HN 0.438 nan 8.310 nan 0.000 0.551 481 T N 1.613 116.167 114.554 -0.001 0.000 2.788 481 T HA 0.231 4.581 4.350 -0.000 0.000 0.287 481 T C 1.691 176.389 174.700 -0.003 0.000 1.007 481 T CA -0.414 61.685 62.100 -0.001 0.000 1.005 481 T CB 0.137 69.002 68.868 -0.006 0.000 1.012 481 T HN 0.386 nan 8.240 nan 0.000 0.530 482 L N 0.875 122.096 121.223 -0.004 0.000 2.093 482 L HA -0.104 4.236 4.340 -0.000 0.000 0.208 482 L C 3.142 180.007 176.870 -0.009 0.000 1.085 482 L CA 1.783 56.620 54.840 -0.004 0.000 0.755 482 L CB -0.893 41.163 42.059 -0.005 0.000 0.904 482 L HN 0.832 nan 8.230 nan 0.000 0.435 483 K N 0.393 120.786 120.400 -0.011 0.000 2.057 483 K HA -0.180 4.140 4.320 -0.000 0.000 0.206 483 K C 1.837 178.424 176.600 -0.021 0.000 1.050 483 K CA 1.623 57.901 56.287 -0.015 0.000 0.935 483 K CB -0.842 31.649 32.500 -0.015 0.000 0.715 483 K HN 0.450 nan 8.250 nan 0.000 0.439 484 E N -0.252 119.935 120.200 -0.021 0.000 2.153 484 E HA -0.106 4.243 4.350 -0.000 0.000 0.194 484 E C 2.213 178.788 176.600 -0.041 0.000 0.988 484 E CA 1.574 57.958 56.400 -0.027 0.000 0.811 484 E CB -0.053 29.634 29.700 -0.022 0.000 0.746 484 E HN 0.552 nan 8.360 nan 0.000 0.466 485 T N 0.147 114.676 114.554 -0.041 0.000 2.809 485 T HA -0.012 4.338 4.350 -0.000 0.000 0.260 485 T C 1.917 176.555 174.700 -0.104 0.000 1.039 485 T CA 0.974 63.036 62.100 -0.064 0.000 1.141 485 T CB -0.071 68.772 68.868 -0.042 0.000 0.869 485 T HN 0.219 nan 8.240 nan 0.000 0.437 486 A N 1.024 123.805 122.820 -0.065 0.000 1.969 486 A HA 0.134 4.454 4.320 -0.000 0.000 0.218 486 A C 2.518 180.056 177.584 -0.076 0.000 1.169 486 A CA 1.598 53.600 52.037 -0.059 0.000 0.635 486 A CB -1.110 17.904 19.000 0.024 0.000 0.810 486 A HN 0.508 nan 8.150 nan 0.000 0.445 487 I N -0.649 119.887 120.570 -0.058 0.000 2.233 487 I HA 0.096 4.266 4.170 -0.000 0.000 0.243 487 I C 2.606 178.677 176.117 -0.076 0.000 1.093 487 I CA 2.475 63.746 61.300 -0.049 0.000 1.380 487 I CB -1.966 36.013 38.000 -0.034 0.000 1.067 487 I HN 0.634 nan 8.210 nan 0.000 0.413 488 E N 0.733 120.877 120.200 -0.093 0.000 2.110 488 E HA 0.005 4.355 4.350 -0.000 0.000 0.193 488 E C 2.378 178.880 176.600 -0.164 0.000 0.988 488 E CA 2.407 58.745 56.400 -0.103 0.000 0.804 488 E CB -1.537 28.108 29.700 -0.090 0.000 0.745 488 E HN 1.642 nan 8.360 nan 0.000 0.458 489 L N -0.684 120.368 121.223 -0.285 0.000 2.362 489 L HA 0.506 4.846 4.340 -0.000 0.000 0.219 489 L C 2.769 179.369 176.870 -0.450 0.000 1.134 489 L CA 1.819 56.333 54.840 -0.543 0.000 0.807 489 L CB -1.424 39.969 42.059 -1.111 0.000 0.927 489 L HN 1.335 nan 8.230 nan 0.000 0.447 490 G N -2.564 106.116 108.800 -0.199 0.000 2.143 490 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.249 490 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.249 490 G C 0.639 175.635 174.900 0.161 0.000 0.981 490 G CA 0.675 45.767 45.100 -0.013 0.000 0.665 490 G HN 0.735 nan 8.290 nan 0.000 0.528 491 Y N -1.003 119.297 120.300 -0.000 0.000 2.448 491 Y HA 0.495 5.045 4.550 -0.000 0.000 0.289 491 Y C 1.788 177.688 175.900 -0.000 0.000 1.114 491 Y CA 0.735 58.836 58.100 0.002 0.000 1.235 491 Y CB 0.223 38.683 38.460 0.001 0.000 1.045 491 Y HN 0.750 nan 8.280 nan 0.000 0.554 492 L N -0.756 120.551 121.223 0.140 0.000 2.671 492 L HA 0.564 4.903 4.340 -0.000 0.000 0.259 492 L C 0.029 176.917 176.870 0.030 0.000 1.021 492 L CA -1.001 53.880 54.840 0.069 0.000 0.871 492 L CB 1.242 43.331 42.059 0.051 0.000 1.472 492 L HN -0.002 nan 8.230 nan 0.000 0.410 493 T N -1.390 113.173 114.554 0.014 0.000 2.849 493 T HA 0.583 4.933 4.350 -0.000 0.000 0.284 493 T C 1.494 176.189 174.700 -0.008 0.000 1.004 493 T CA 0.519 62.620 62.100 0.002 0.000 1.021 493 T CB 1.160 70.029 68.868 0.000 0.000 1.013 493 T HN 2.315 nan 8.240 nan 0.000 0.527 494 A N 0.567 123.381 122.820 -0.011 0.000 1.978 494 A HA -0.080 4.240 4.320 -0.000 0.000 0.220 494 A C 2.137 179.710 177.584 -0.018 0.000 1.170 494 A CA 1.651 53.680 52.037 -0.014 0.000 0.636 494 A CB -0.920 18.073 19.000 -0.013 0.000 0.810 494 A HN 0.899 nan 8.150 nan 0.000 0.448 495 E N -0.965 119.225 120.200 -0.017 0.000 2.076 495 E HA 0.036 4.386 4.350 -0.000 0.000 0.190 495 E C 2.606 179.187 176.600 -0.032 0.000 0.979 495 E CA 1.503 57.891 56.400 -0.020 0.000 0.807 495 E CB -0.566 29.125 29.700 -0.014 0.000 0.761 495 E HN 0.694 nan 8.360 nan 0.000 0.454 496 Q N 0.223 120.002 119.800 -0.035 0.000 2.170 496 Q HA -0.110 4.230 4.340 -0.000 0.000 0.203 496 Q C 2.310 178.254 176.000 -0.093 0.000 0.976 496 Q CA 1.871 57.637 55.803 -0.062 0.000 0.858 496 Q CB -1.652 27.058 28.738 -0.046 0.000 0.907 496 Q HN 0.503 nan 8.270 nan 0.000 0.433 497 F N 1.569 121.482 119.950 -0.061 0.000 2.113 497 F HA -0.126 4.401 4.527 -0.000 0.000 0.297 497 F C 2.197 177.961 175.800 -0.060 0.000 1.103 497 F CA 1.687 59.651 58.000 -0.059 0.000 1.248 497 F CB -0.888 38.093 39.000 -0.032 0.000 0.999 497 F HN 0.438 nan 8.300 nan 0.000 0.475 498 D N -0.067 120.305 120.400 -0.045 0.000 2.178 498 D HA 0.059 4.699 4.640 -0.000 0.000 0.201 498 D C 2.108 178.381 176.300 -0.044 0.000 0.980 498 D CA 1.721 55.699 54.000 -0.037 0.000 0.842 498 D CB -0.678 40.106 40.800 -0.026 0.000 0.948 498 D HN 0.603 nan 8.370 nan 0.000 0.472 499 E N -0.337 119.827 120.200 -0.060 0.000 2.318 499 E HA 0.083 4.433 4.350 -0.000 0.000 0.193 499 E C 2.122 178.664 176.600 -0.096 0.000 0.998 499 E CA 1.083 57.447 56.400 -0.060 0.000 0.859 499 E CB -1.571 28.097 29.700 -0.052 0.000 0.812 499 E HN 0.657 nan 8.360 nan 0.000 0.492 500 W N -0.046 121.156 121.300 -0.164 0.000 2.630 500 W HA 0.465 5.125 4.660 -0.000 0.000 0.271 500 W C 1.229 177.689 176.519 -0.099 0.000 1.244 500 W CA 0.702 57.895 57.345 -0.253 0.000 1.353 500 W CB 0.059 29.233 29.460 -0.477 0.000 1.080 500 W HN 0.155 nan 8.180 nan 0.000 0.594 501 V N 2.684 122.556 119.914 -0.069 0.000 2.240 501 V HA 0.358 4.478 4.120 -0.000 0.000 0.265 501 V C -0.570 175.512 176.094 -0.020 0.000 1.073 501 V CA -0.955 61.326 62.300 -0.031 0.000 0.857 501 V CB -0.056 31.750 31.823 -0.029 0.000 1.114 501 V HN 0.337 nan 8.190 nan 0.000 0.469 502 K N 4.814 125.209 120.400 -0.009 0.000 2.621 502 K HA 0.350 4.670 4.320 -0.000 0.000 0.233 502 K C -2.169 174.432 176.600 0.002 0.000 0.972 502 K CA -1.593 54.691 56.287 -0.005 0.000 0.988 502 K CB 2.572 35.071 32.500 -0.003 0.000 1.187 502 K HN 0.163 nan 8.250 nan 0.000 0.471 503 P HA -0.305 nan 4.420 nan 0.000 0.217 503 P C 0.945 178.248 177.300 0.005 0.000 1.151 503 P CA 1.430 64.532 63.100 0.003 0.000 0.849 503 P CB 0.197 31.896 31.700 -0.000 0.000 0.787 504 K N -0.968 119.434 120.400 0.004 0.000 2.360 504 K HA -0.129 4.190 4.320 -0.000 0.000 0.201 504 K C 0.644 177.249 176.600 0.008 0.000 1.046 504 K CA 1.529 57.819 56.287 0.005 0.000 0.945 504 K CB -0.513 31.989 32.500 0.004 0.000 0.750 504 K HN 0.079 nan 8.250 nan 0.000 0.464 505 D N 0.759 121.165 120.400 0.011 0.000 2.350 505 D HA 0.077 4.717 4.640 -0.000 0.000 0.213 505 D C 1.004 177.315 176.300 0.018 0.000 1.031 505 D CA 0.616 54.625 54.000 0.016 0.000 0.861 505 D CB 0.202 41.015 40.800 0.022 0.000 0.926 505 D HN 0.315 nan 8.370 nan 0.000 0.520 506 M N -0.020 119.589 119.600 0.015 0.000 2.493 506 M HA 0.212 4.692 4.480 -0.000 0.000 0.244 506 M C 0.999 177.307 176.300 0.012 0.000 1.182 506 M CA 0.104 55.414 55.300 0.016 0.000 0.981 506 M CB 0.625 33.234 32.600 0.015 0.000 1.551 506 M HN -0.111 nan 8.290 nan 0.000 0.476 507 L N -0.469 120.760 121.223 0.011 0.000 2.585 507 L HA 0.379 4.719 4.340 -0.000 0.000 0.226 507 L C 0.915 177.789 176.870 0.007 0.000 1.113 507 L CA -0.289 54.556 54.840 0.008 0.000 0.876 507 L CB -0.013 42.050 42.059 0.008 0.000 1.072 507 L HN 0.339 nan 8.230 nan 0.000 0.468 508 G N -0.380 108.425 108.800 0.008 0.000 2.649 508 G HA2 0.553 4.512 3.960 -0.000 0.000 0.290 508 G HA3 0.553 4.512 3.960 -0.000 0.000 0.290 508 G C -2.840 172.066 174.900 0.009 0.000 1.426 508 G CA -0.556 44.549 45.100 0.007 0.000 0.794 508 G HN -0.236 nan 8.290 nan 0.000 0.483 509 P HA 0.537 nan 4.420 nan 0.000 0.274 509 P C 0.372 177.677 177.300 0.008 0.000 1.246 509 P CA -0.321 62.784 63.100 0.008 0.000 0.795 509 P CB 0.352 32.056 31.700 0.006 0.000 1.006 510 K N 0.000 120.404 120.400 0.007 0.000 2.780 510 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 510 K CA 0.000 56.291 56.287 0.006 0.000 0.838 510 K CB 0.000 32.501 32.500 0.002 0.000 1.064 510 K HN 0.000 nan 8.250 nan 0.000 0.543