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 1w23_1_B DATA FIRST_RESID 1 DATA SEQUENCE VKQVFNFNAG PSALPKPALE RAQKELLNFN DTQMSVMELS HRSQSYEEVH DATA SEQUENCE EQAQNLLREL LQIPNDYQIL FLQGGASLQF TMLPMNLLTK GTIGNYVLTG DATA SEQUENCE SWSEKALKEA KLLGETHIAA STKANSYQSI PDFSEFQLNE NDAYLHITSN DATA SEQUENCE NTIYGTQYQN FPEINHAPLI ADMSSDILSR PLKVNQFGMI YAGAQKNLGP DATA SEQUENCE SGVTVVIVKK DLLXXXVEQV PTMLQYATHI KSDSLYNTPP TFSIYMLRNV DATA SEQUENCE LDWIKDLGGA EAIAKQNEEK AKIIYDTIDE SNGFYVGHAE KGSRSLMNVT DATA SEQUENCE FNLRNEELNQ QFLAKAKEQG FVGLNGHRSV GGCRASIYNA VPIDACIALR DATA SEQUENCE ELMIQFKENA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 V HA 0.000 nan 4.120 nan 0.000 0.244 1 V C 0.000 176.054 176.094 -0.067 0.000 1.182 1 V CA 0.000 62.272 62.300 -0.048 0.000 1.235 1 V CB 0.000 31.803 31.823 -0.033 0.000 1.184 2 K N 2.885 123.241 120.400 -0.072 0.000 2.511 2 K HA -0.096 4.228 4.320 0.007 0.000 0.277 2 K C -0.027 176.477 176.600 -0.161 0.000 1.025 2 K CA 0.663 56.894 56.287 -0.094 0.000 1.112 2 K CB 0.187 32.638 32.500 -0.081 0.000 0.859 2 K HN 0.483 nan 8.250 nan 0.000 0.485 3 Q N 2.728 122.408 119.800 -0.200 0.000 2.296 3 Q HA 0.220 4.564 4.340 0.007 0.000 0.262 3 Q C -0.815 174.832 176.000 -0.587 0.000 0.981 3 Q CA -0.558 55.005 55.803 -0.401 0.000 0.905 3 Q CB 1.628 30.156 28.738 -0.350 0.000 1.186 3 Q HN 0.365 nan 8.270 nan 0.000 0.399 4 V N 4.062 123.523 119.914 -0.754 0.000 2.588 4 V HA 0.474 4.599 4.120 0.007 0.000 0.304 4 V C -0.962 174.598 176.094 -0.891 0.000 1.042 4 V CA -0.734 61.175 62.300 -0.653 0.000 0.877 4 V CB 1.256 32.889 31.823 -0.317 0.000 0.996 4 V HN 0.592 nan 8.190 nan 0.000 0.425 5 F N 2.836 122.631 119.950 -0.258 0.000 2.445 5 F HA 0.454 4.984 4.527 0.005 0.000 0.348 5 F C 0.326 176.070 175.800 -0.094 0.000 1.125 5 F CA -0.587 57.273 58.000 -0.234 0.000 0.983 5 F CB 1.493 40.282 39.000 -0.352 0.000 1.198 5 F HN 0.420 nan 8.300 nan 0.000 0.436 6 N N 3.793 122.451 118.700 -0.070 0.000 2.645 6 N HA 0.199 4.944 4.740 0.007 0.000 0.233 6 N C -0.594 174.822 175.510 -0.158 0.000 1.058 6 N CA -0.271 52.747 53.050 -0.053 0.000 0.942 6 N CB 0.009 38.453 38.487 -0.072 0.000 1.210 6 N HN 0.442 nan 8.380 nan 0.000 0.512 7 F N 0.820 120.835 119.950 0.108 0.000 2.730 7 F HA 0.307 4.837 4.527 0.006 0.000 0.295 7 F C 0.829 176.662 175.800 0.056 0.000 1.143 7 F CA -0.710 57.335 58.000 0.075 0.000 1.367 7 F CB -0.152 38.913 39.000 0.107 0.000 0.970 7 F HN 0.241 nan 8.300 nan 0.000 0.514 8 N N 0.822 119.628 118.700 0.178 0.000 2.395 8 N HA 0.052 4.796 4.740 0.007 0.000 0.246 8 N C 1.080 176.719 175.510 0.214 0.000 1.246 8 N CA 0.465 53.615 53.050 0.167 0.000 0.879 8 N CB 1.252 39.816 38.487 0.127 0.000 1.098 8 N HN 0.268 nan 8.380 nan 0.000 0.444 9 A N 0.919 123.878 122.820 0.231 0.000 2.238 9 A HA 0.380 4.704 4.320 0.007 0.000 0.210 9 A C 0.773 178.595 177.584 0.398 0.000 1.179 9 A CA 0.761 52.995 52.037 0.327 0.000 0.827 9 A CB -0.161 18.995 19.000 0.260 0.000 0.856 9 A HN 0.761 nan 8.150 nan 0.000 0.488 10 G N 0.142 109.093 108.800 0.252 0.000 2.404 10 G HA2 0.349 4.313 3.960 0.007 0.000 0.230 10 G HA3 0.349 4.313 3.960 0.007 0.000 0.230 10 G C -2.950 172.003 174.900 0.089 0.000 1.516 10 G CA -0.698 44.476 45.100 0.124 0.000 1.026 10 G HN 0.114 nan 8.290 nan 0.000 0.660 11 P HA 0.537 nan 4.420 nan 0.000 0.272 11 P C 0.223 177.563 177.300 0.068 0.000 1.243 11 P CA -0.024 63.092 63.100 0.026 0.000 0.803 11 P CB 0.595 32.303 31.700 0.012 0.000 0.974 12 S N -1.791 113.938 115.700 0.047 0.000 2.688 12 S HA 0.652 5.126 4.470 0.007 0.000 0.275 12 S C -1.008 173.609 174.600 0.028 0.000 1.175 12 S CA -0.621 57.638 58.200 0.098 0.000 0.818 12 S CB 1.045 64.369 63.200 0.206 0.000 1.157 12 S HN 0.635 nan 8.310 nan 0.000 0.482 13 A N 0.794 123.629 122.820 0.024 0.000 2.531 13 A HA 0.500 4.824 4.320 0.007 0.000 0.236 13 A C -0.486 177.041 177.584 -0.095 0.000 1.062 13 A CA 0.332 52.339 52.037 -0.051 0.000 0.760 13 A CB -0.552 18.402 19.000 -0.075 0.000 0.995 13 A HN 0.610 nan 8.150 nan 0.000 0.501 14 L N 2.457 123.588 121.223 -0.153 0.000 2.303 14 L HA 0.474 4.819 4.340 0.007 0.000 0.266 14 L C -2.217 174.429 176.870 -0.374 0.000 1.011 14 L CA -2.294 52.401 54.840 -0.243 0.000 0.818 14 L CB 1.901 43.844 42.059 -0.193 0.000 1.326 14 L HN 0.422 nan 8.230 nan 0.000 0.435 15 P HA 0.121 nan 4.420 nan 0.000 0.271 15 P C -0.100 176.913 177.300 -0.477 0.000 1.220 15 P CA -0.281 62.281 63.100 -0.896 0.000 0.768 15 P CB 0.614 31.224 31.700 -1.817 0.000 0.848 16 K N 3.894 124.108 120.400 -0.311 0.000 2.074 16 K HA -0.152 4.173 4.320 0.007 0.000 0.209 16 K C -0.878 175.650 176.600 -0.120 0.000 1.048 16 K CA 2.044 58.236 56.287 -0.157 0.000 0.926 16 K CB -1.591 30.860 32.500 -0.083 0.000 0.713 16 K HN 0.459 nan 8.250 nan 0.000 0.444 17 P HA -0.130 nan 4.420 nan 0.000 0.217 17 P C 1.050 178.324 177.300 -0.043 0.000 1.150 17 P CA 1.459 64.552 63.100 -0.011 0.000 0.832 17 P CB 0.037 31.814 31.700 0.129 0.000 0.787 18 A N -0.867 121.870 122.820 -0.138 0.000 1.930 18 A HA -0.134 4.190 4.320 0.007 0.000 0.217 18 A C 2.173 179.702 177.584 -0.092 0.000 1.175 18 A CA 1.307 53.265 52.037 -0.132 0.000 0.627 18 A CB -1.558 17.312 19.000 -0.216 0.000 0.815 18 A HN 0.111 nan 8.150 nan 0.000 0.443 19 L N -0.880 120.289 121.223 -0.090 0.000 2.072 19 L HA -0.160 4.185 4.340 0.007 0.000 0.205 19 L C 2.594 179.474 176.870 0.017 0.000 1.079 19 L CA 1.468 56.292 54.840 -0.027 0.000 0.752 19 L CB -0.463 41.568 42.059 -0.046 0.000 0.906 19 L HN 0.451 nan 8.230 nan 0.000 0.436 20 E N -0.325 119.875 120.200 0.001 0.000 2.077 20 E HA -0.264 4.090 4.350 0.007 0.000 0.193 20 E C 2.223 178.855 176.600 0.054 0.000 0.989 20 E CA 0.965 57.380 56.400 0.024 0.000 0.800 20 E CB -0.083 29.625 29.700 0.013 0.000 0.746 20 E HN 0.293 nan 8.360 nan 0.000 0.452 21 R N 0.798 121.332 120.500 0.056 0.000 2.083 21 R HA -0.164 4.181 4.340 0.007 0.000 0.237 21 R C 2.269 178.670 176.300 0.168 0.000 1.137 21 R CA 1.468 57.624 56.100 0.093 0.000 0.951 21 R CB -0.250 30.090 30.300 0.066 0.000 0.851 21 R HN 0.157 nan 8.270 nan 0.000 0.434 22 A N 0.753 123.685 122.820 0.187 0.000 1.902 22 A HA -0.250 4.074 4.320 0.007 0.000 0.217 22 A C 2.127 179.859 177.584 0.246 0.000 1.181 22 A CA 1.616 53.852 52.037 0.333 0.000 0.623 22 A CB -0.681 18.530 19.000 0.353 0.000 0.818 22 A HN 0.615 nan 8.150 nan 0.000 0.443 23 Q N -0.263 119.631 119.800 0.156 0.000 2.050 23 Q HA -0.245 4.100 4.340 0.007 0.000 0.202 23 Q C 2.186 178.242 176.000 0.093 0.000 0.980 23 Q CA 2.089 57.955 55.803 0.105 0.000 0.840 23 Q CB -0.197 28.580 28.738 0.065 0.000 0.898 23 Q HN 0.681 nan 8.270 nan 0.000 0.424 24 K N 0.365 120.821 120.400 0.093 0.000 2.063 24 K HA -0.189 4.136 4.320 0.007 0.000 0.208 24 K C 1.334 177.986 176.600 0.088 0.000 1.048 24 K CA 1.792 58.125 56.287 0.077 0.000 0.928 24 K CB -0.006 32.536 32.500 0.070 0.000 0.713 24 K HN 0.419 nan 8.250 nan 0.000 0.442 25 E N 0.367 120.647 120.200 0.133 0.000 2.499 25 E HA -0.019 4.335 4.350 0.007 0.000 0.199 25 E C 1.467 178.152 176.600 0.142 0.000 1.016 25 E CA -0.157 56.331 56.400 0.147 0.000 0.933 25 E CB 0.136 29.958 29.700 0.204 0.000 1.050 25 E HN 0.145 nan 8.360 nan 0.000 0.462 26 L N 0.690 121.978 121.223 0.109 0.000 2.131 26 L HA -0.112 4.232 4.340 0.007 0.000 0.210 26 L C 1.952 178.841 176.870 0.031 0.000 1.092 26 L CA 1.602 56.483 54.840 0.069 0.000 0.759 26 L CB -0.027 42.057 42.059 0.042 0.000 0.903 26 L HN 0.309 nan 8.230 nan 0.000 0.435 27 L N -1.702 119.544 121.223 0.038 0.000 2.416 27 L HA 0.137 4.481 4.340 0.007 0.000 0.216 27 L C 0.349 177.246 176.870 0.044 0.000 1.098 27 L CA 0.132 54.987 54.840 0.024 0.000 0.840 27 L CB -0.133 41.934 42.059 0.014 0.000 0.981 27 L HN 0.262 nan 8.230 nan 0.000 0.462 28 N N 0.149 118.891 118.700 0.070 0.000 2.675 28 N HA 0.118 4.862 4.740 0.007 0.000 0.254 28 N C -1.410 174.162 175.510 0.103 0.000 1.224 28 N CA -0.469 52.624 53.050 0.071 0.000 0.777 28 N CB 0.582 39.090 38.487 0.035 0.000 1.256 28 N HN -0.040 nan 8.380 nan 0.000 0.531 29 F N 3.469 123.419 119.950 -0.001 0.000 2.438 29 F HA 0.358 4.889 4.527 0.007 0.000 0.356 29 F C 1.104 176.919 175.800 0.025 0.000 1.099 29 F CA -0.152 57.853 58.000 0.007 0.000 1.185 29 F CB 0.486 39.467 39.000 -0.031 0.000 1.115 29 F HN 0.569 nan 8.300 nan 0.000 0.526 30 N N 4.369 122.596 118.700 -0.789 0.000 2.727 30 N HA -0.266 4.479 4.740 0.007 0.000 0.249 30 N C -0.175 175.169 175.510 -0.277 0.000 1.048 30 N CA 1.350 53.998 53.050 -0.670 0.000 0.714 30 N CB -1.243 36.616 38.487 -1.047 0.000 0.959 30 N HN 0.835 nan 8.380 nan 0.000 0.544 31 D N -3.215 117.092 120.400 -0.156 0.000 2.983 31 D HA -0.226 4.418 4.640 0.007 0.000 0.225 31 D C 1.003 177.281 176.300 -0.036 0.000 1.174 31 D CA 1.583 55.540 54.000 -0.071 0.000 0.831 31 D CB -1.611 39.150 40.800 -0.065 0.000 1.104 31 D HN 0.786 nan 8.370 nan 0.000 0.421 32 T N -3.407 111.138 114.554 -0.015 0.000 3.088 32 T HA -0.071 4.283 4.350 0.007 0.000 0.259 32 T C 1.109 175.831 174.700 0.037 0.000 1.122 32 T CA 0.792 62.911 62.100 0.032 0.000 1.095 32 T CB 0.396 69.320 68.868 0.094 0.000 0.930 32 T HN 0.107 nan 8.240 nan 0.000 0.508 33 Q N -0.397 119.423 119.800 0.033 0.000 2.460 33 Q HA -0.135 4.210 4.340 0.007 0.000 0.248 33 Q C -0.291 175.733 176.000 0.040 0.000 0.847 33 Q CA 1.036 56.857 55.803 0.030 0.000 1.214 33 Q CB -2.457 26.291 28.738 0.017 0.000 1.523 33 Q HN 0.668 nan 8.270 nan 0.000 0.602 34 M N -0.585 119.054 119.600 0.066 0.000 2.602 34 M HA 0.426 4.911 4.480 0.007 0.000 0.312 34 M C 0.366 176.717 176.300 0.085 0.000 1.181 34 M CA -0.571 54.765 55.300 0.061 0.000 0.910 34 M CB 2.284 34.922 32.600 0.064 0.000 1.723 34 M HN 0.028 nan 8.290 nan 0.000 0.459 35 S N 0.354 116.075 115.700 0.035 0.000 2.579 35 S HA 0.139 4.613 4.470 0.007 0.000 0.275 35 S C 1.279 175.860 174.600 -0.032 0.000 1.345 35 S CA -0.579 57.624 58.200 0.005 0.000 1.031 35 S CB 0.788 63.957 63.200 -0.053 0.000 0.892 35 S HN 0.584 nan 8.310 nan 0.000 0.529 36 V N 3.584 123.397 119.914 -0.168 0.000 2.469 36 V HA -0.192 3.932 4.120 0.007 0.000 0.251 36 V C 2.036 178.038 176.094 -0.152 0.000 1.064 36 V CA 1.990 64.076 62.300 -0.358 0.000 1.066 36 V CB -1.075 30.315 31.823 -0.723 0.000 0.667 36 V HN 0.902 nan 8.190 nan 0.000 0.461 37 M N -0.050 119.491 119.600 -0.099 0.000 2.549 37 M HA -0.040 4.444 4.480 0.007 0.000 0.260 37 M C 1.705 177.956 176.300 -0.081 0.000 1.076 37 M CA 1.465 56.711 55.300 -0.091 0.000 1.090 37 M CB -0.254 32.248 32.600 -0.163 0.000 1.418 37 M HN 0.495 nan 8.290 nan 0.000 0.486 38 E N -0.195 119.969 120.200 -0.059 0.000 2.526 38 E HA 0.229 4.583 4.350 0.007 0.000 0.208 38 E C -0.194 176.398 176.600 -0.013 0.000 0.997 38 E CA -0.183 56.196 56.400 -0.035 0.000 0.961 38 E CB 0.599 30.286 29.700 -0.022 0.000 1.030 38 E HN 0.413 nan 8.360 nan 0.000 0.483 39 L N 1.294 122.511 121.223 -0.011 0.000 2.371 39 L HA 0.187 4.532 4.340 0.007 0.000 0.272 39 L C 0.671 177.546 176.870 0.009 0.000 1.124 39 L CA -0.484 54.371 54.840 0.025 0.000 0.816 39 L CB 1.208 43.310 42.059 0.072 0.000 1.129 39 L HN -0.044 nan 8.230 nan 0.000 0.448 40 S N 0.994 116.711 115.700 0.029 0.000 2.562 40 S HA -0.007 4.468 4.470 0.007 0.000 0.281 40 S C 1.286 175.904 174.600 0.030 0.000 1.333 40 S CA -0.585 57.630 58.200 0.026 0.000 1.052 40 S CB 0.382 63.571 63.200 -0.018 0.000 0.884 40 S HN 0.746 nan 8.310 nan 0.000 0.506 41 H N 4.630 123.630 119.070 -0.116 0.000 2.555 41 H HA 0.169 4.729 4.556 0.007 0.000 0.269 41 H C 1.115 176.478 175.328 0.059 0.000 0.988 41 H CA 0.526 56.501 56.048 -0.122 0.000 1.178 41 H CB -0.183 29.424 29.762 -0.258 0.000 1.373 41 H HN 0.647 nan 8.280 nan 0.000 0.588 42 R N 1.398 121.630 120.500 -0.447 0.000 2.359 42 R HA 0.098 4.443 4.340 0.007 0.000 0.231 42 R C 0.369 176.620 176.300 -0.081 0.000 0.913 42 R CA 0.259 56.191 56.100 -0.280 0.000 1.075 42 R CB 0.505 30.596 30.300 -0.350 0.000 1.087 42 R HN 0.299 nan 8.270 nan 0.000 0.515 43 S N -0.294 115.407 115.700 0.001 0.000 2.580 43 S HA -0.014 4.461 4.470 0.007 0.000 0.274 43 S C 1.047 175.693 174.600 0.077 0.000 1.329 43 S CA -0.686 57.544 58.200 0.050 0.000 1.036 43 S CB 1.933 65.186 63.200 0.089 0.000 0.919 43 S HN 0.240 nan 8.310 nan 0.000 0.515 44 Q N 1.804 121.640 119.800 0.060 0.000 2.170 44 Q HA -0.136 4.208 4.340 0.007 0.000 0.203 44 Q C 1.850 177.908 176.000 0.097 0.000 0.976 44 Q CA 1.794 57.634 55.803 0.062 0.000 0.858 44 Q CB -0.360 28.406 28.738 0.046 0.000 0.907 44 Q HN 0.885 nan 8.270 nan 0.000 0.433 45 S N -0.193 115.590 115.700 0.138 0.000 2.356 45 S HA -0.186 4.288 4.470 0.007 0.000 0.223 45 S C 1.484 176.226 174.600 0.238 0.000 1.032 45 S CA 1.357 59.691 58.200 0.223 0.000 1.005 45 S CB -0.501 62.867 63.200 0.280 0.000 0.867 45 S HN 0.558 nan 8.310 nan 0.000 0.449 46 Y N 2.179 122.544 120.300 0.108 0.000 2.184 46 Y HA -0.032 4.522 4.550 0.007 0.000 0.290 46 Y C 2.200 178.167 175.900 0.112 0.000 1.129 46 Y CA 1.434 59.578 58.100 0.073 0.000 1.144 46 Y CB -0.420 38.064 38.460 0.040 0.000 0.995 46 Y HN 0.233 nan 8.280 nan 0.000 0.513 47 E N 0.151 120.304 120.200 -0.078 0.000 2.160 47 E HA -0.248 4.106 4.350 0.007 0.000 0.195 47 E C 1.949 178.498 176.600 -0.085 0.000 0.991 47 E CA 1.570 57.903 56.400 -0.110 0.000 0.810 47 E CB -0.132 29.572 29.700 0.007 0.000 0.742 47 E HN 0.674 nan 8.360 nan 0.000 0.466 48 E N 0.266 120.450 120.200 -0.028 0.000 2.077 48 E HA -0.171 4.184 4.350 0.007 0.000 0.193 48 E C 2.210 178.811 176.600 0.003 0.000 0.989 48 E CA 1.211 57.622 56.400 0.020 0.000 0.800 48 E CB 0.029 29.771 29.700 0.071 0.000 0.746 48 E HN 0.065 nan 8.360 nan 0.000 0.452 49 V N 0.614 120.496 119.914 -0.053 0.000 2.307 49 V HA -0.274 3.850 4.120 0.007 0.000 0.245 49 V C 2.189 178.224 176.094 -0.098 0.000 1.045 49 V CA 2.236 64.504 62.300 -0.053 0.000 1.024 49 V CB -0.599 31.182 31.823 -0.069 0.000 0.651 49 V HN 0.320 nan 8.190 nan 0.000 0.449 50 H N 0.518 119.346 119.070 -0.405 0.000 2.289 50 H HA -0.190 4.370 4.556 0.007 0.000 0.296 50 H C 2.362 177.730 175.328 0.067 0.000 1.091 50 H CA 2.393 58.353 56.048 -0.147 0.000 1.274 50 H CB 0.052 29.655 29.762 -0.265 0.000 1.364 50 H HN 0.507 nan 8.280 nan 0.000 0.490 51 E N -0.204 120.069 120.200 0.121 0.000 2.072 51 E HA -0.231 4.124 4.350 0.007 0.000 0.191 51 E C 2.312 178.942 176.600 0.050 0.000 0.985 51 E CA 0.983 57.432 56.400 0.081 0.000 0.801 51 E CB -0.087 29.654 29.700 0.069 0.000 0.750 51 E HN 0.617 nan 8.360 nan 0.000 0.452 52 Q N 0.507 120.330 119.800 0.040 0.000 2.124 52 Q HA -0.180 4.165 4.340 0.007 0.000 0.202 52 Q C 2.144 178.164 176.000 0.033 0.000 0.977 52 Q CA 1.324 57.146 55.803 0.031 0.000 0.850 52 Q CB -0.086 28.670 28.738 0.030 0.000 0.901 52 Q HN 0.227 nan 8.270 nan 0.000 0.429 53 A N 0.681 123.527 122.820 0.043 0.000 1.883 53 A HA -0.277 4.048 4.320 0.007 0.000 0.217 53 A C 1.935 179.630 177.584 0.183 0.000 1.186 53 A CA 1.787 53.866 52.037 0.069 0.000 0.624 53 A CB -0.623 18.358 19.000 -0.033 0.000 0.822 53 A HN 0.539 nan 8.150 nan 0.000 0.444 54 Q N -0.378 119.536 119.800 0.189 0.000 2.084 54 Q HA -0.179 4.165 4.340 0.007 0.000 0.202 54 Q C 1.922 177.933 176.000 0.018 0.000 0.978 54 Q CA 1.502 57.331 55.803 0.043 0.000 0.844 54 Q CB -0.268 28.401 28.738 -0.115 0.000 0.898 54 Q HN 0.630 nan 8.270 nan 0.000 0.426 55 N N 0.622 119.334 118.700 0.020 0.000 2.120 55 N HA -0.116 4.629 4.740 0.007 0.000 0.188 55 N C 1.792 177.307 175.510 0.008 0.000 1.024 55 N CA 1.028 54.084 53.050 0.009 0.000 0.852 55 N CB -0.222 38.272 38.487 0.012 0.000 1.003 55 N HN 0.206 nan 8.380 nan 0.000 0.424 56 L N 0.074 121.306 121.223 0.015 0.000 2.093 56 L HA -0.100 4.245 4.340 0.007 0.000 0.208 56 L C 2.219 179.092 176.870 0.004 0.000 1.085 56 L CA 0.464 55.307 54.840 0.006 0.000 0.755 56 L CB -0.356 41.706 42.059 0.004 0.000 0.904 56 L HN 0.108 nan 8.230 nan 0.000 0.435 57 L N 0.076 121.310 121.223 0.019 0.000 2.017 57 L HA -0.228 4.116 4.340 0.007 0.000 0.208 57 L C 2.775 179.635 176.870 -0.018 0.000 1.073 57 L CA 1.695 56.540 54.840 0.008 0.000 0.745 57 L CB -0.471 41.615 42.059 0.045 0.000 0.894 57 L HN 0.115 nan 8.230 nan 0.000 0.432 58 R N -0.592 119.897 120.500 -0.018 0.000 2.083 58 R HA -0.240 4.104 4.340 0.007 0.000 0.237 58 R C 2.345 178.629 176.300 -0.027 0.000 1.137 58 R CA 1.963 58.046 56.100 -0.028 0.000 0.951 58 R CB -0.313 29.974 30.300 -0.020 0.000 0.851 58 R HN 0.602 nan 8.270 nan 0.000 0.434 59 E N 0.236 120.425 120.200 -0.018 0.000 2.031 59 E HA -0.206 4.149 4.350 0.007 0.000 0.193 59 E C 2.017 178.603 176.600 -0.023 0.000 0.994 59 E CA 1.350 57.739 56.400 -0.018 0.000 0.800 59 E CB -0.076 29.616 29.700 -0.013 0.000 0.752 59 E HN 0.392 nan 8.360 nan 0.000 0.447 60 L N 0.346 121.555 121.223 -0.023 0.000 2.109 60 L HA -0.104 4.240 4.340 0.007 0.000 0.207 60 L C 2.356 179.207 176.870 -0.031 0.000 1.086 60 L CA 0.669 55.493 54.840 -0.026 0.000 0.760 60 L CB -0.063 41.983 42.059 -0.022 0.000 0.910 60 L HN 0.237 nan 8.230 nan 0.000 0.437 61 L N -1.053 120.145 121.223 -0.042 0.000 2.592 61 L HA 0.067 4.412 4.340 0.007 0.000 0.227 61 L C 0.355 177.186 176.870 -0.064 0.000 1.127 61 L CA 0.047 54.852 54.840 -0.058 0.000 0.884 61 L CB 0.041 42.049 42.059 -0.085 0.000 1.065 61 L HN 0.293 nan 8.230 nan 0.000 0.457 62 Q N 0.912 120.681 119.800 -0.051 0.000 2.459 62 Q HA -0.189 4.156 4.340 0.007 0.000 0.322 62 Q C -0.359 175.595 176.000 -0.078 0.000 1.427 62 Q CA 0.376 56.151 55.803 -0.047 0.000 0.861 62 Q CB -1.504 27.214 28.738 -0.032 0.000 1.137 62 Q HN 0.459 nan 8.270 nan 0.000 0.394 63 I N 1.584 122.100 120.570 -0.091 0.000 2.379 63 I HA 0.163 4.338 4.170 0.007 0.000 0.290 63 I C -1.643 174.437 176.117 -0.062 0.000 1.063 63 I CA -1.896 59.318 61.300 -0.142 0.000 1.351 63 I CB 0.360 38.283 38.000 -0.128 0.000 1.410 63 I HN 0.007 nan 8.210 nan 0.000 0.505 64 P HA 0.079 nan 4.420 nan 0.000 0.270 64 P C 0.208 177.595 177.300 0.144 0.000 1.223 64 P CA -0.244 62.905 63.100 0.083 0.000 0.785 64 P CB 0.504 32.302 31.700 0.164 0.000 0.923 65 N N 1.142 119.898 118.700 0.095 0.000 2.364 65 N HA -0.133 4.611 4.740 0.007 0.000 0.183 65 N C 0.700 176.255 175.510 0.074 0.000 1.022 65 N CA 1.156 54.247 53.050 0.068 0.000 0.883 65 N CB -0.585 37.924 38.487 0.038 0.000 0.965 65 N HN 0.563 nan 8.380 nan 0.000 0.438 66 D N -1.097 119.358 120.400 0.091 0.000 2.324 66 D HA -0.079 4.565 4.640 0.007 0.000 0.235 66 D C -0.375 175.844 176.300 -0.135 0.000 1.095 66 D CA -0.020 53.969 54.000 -0.017 0.000 0.871 66 D CB -0.652 40.111 40.800 -0.061 0.000 0.906 66 D HN 0.152 nan 8.370 nan 0.000 0.522 67 Y N 0.384 120.665 120.300 -0.032 0.000 2.446 67 Y HA 0.425 4.980 4.550 0.008 0.000 0.338 67 Y C 0.666 176.534 175.900 -0.053 0.000 1.055 67 Y CA -0.968 57.105 58.100 -0.045 0.000 1.101 67 Y CB 1.448 39.880 38.460 -0.047 0.000 1.221 67 Y HN -0.225 nan 8.280 nan 0.000 0.460 68 Q N 2.638 122.476 119.800 0.065 0.000 2.257 68 Q HA 0.541 4.886 4.340 0.007 0.000 0.262 68 Q C -1.023 174.963 176.000 -0.023 0.000 0.997 68 Q CA -0.669 55.136 55.803 0.003 0.000 0.873 68 Q CB 2.783 31.510 28.738 -0.019 0.000 1.312 68 Q HN 0.672 nan 8.270 nan 0.000 0.450 69 I N 2.879 123.388 120.570 -0.103 0.000 2.382 69 I HA 0.324 4.498 4.170 0.007 0.000 0.285 69 I C -0.485 175.419 176.117 -0.355 0.000 1.007 69 I CA -0.337 60.840 61.300 -0.205 0.000 1.142 69 I CB 0.950 38.800 38.000 -0.250 0.000 1.289 69 I HN 0.217 nan 8.210 nan 0.000 0.453 70 L N 6.083 127.154 121.223 -0.253 0.000 2.325 70 L HA 0.568 4.913 4.340 0.007 0.000 0.278 70 L C -0.896 175.877 176.870 -0.161 0.000 1.023 70 L CA -0.531 54.186 54.840 -0.204 0.000 0.811 70 L CB 1.464 43.521 42.059 -0.004 0.000 1.249 70 L HN 0.443 nan 8.230 nan 0.000 0.431 71 F N 3.667 123.617 119.950 0.001 0.000 2.382 71 F HA 0.526 5.058 4.527 0.008 0.000 0.361 71 F C -0.136 175.652 175.800 -0.020 0.000 1.109 71 F CA -0.727 57.263 58.000 -0.016 0.000 1.031 71 F CB 1.223 40.208 39.000 -0.024 0.000 1.234 71 F HN 0.166 nan 8.300 nan 0.000 0.445 72 L N 2.857 124.146 121.223 0.109 0.000 2.319 72 L HA 0.496 4.840 4.340 0.007 0.000 0.267 72 L C -0.334 176.521 176.870 -0.025 0.000 1.011 72 L CA -1.093 53.721 54.840 -0.044 0.000 0.818 72 L CB 2.095 44.066 42.059 -0.146 0.000 1.316 72 L HN 0.535 nan 8.230 nan 0.000 0.432 73 Q N -0.089 119.680 119.800 -0.051 0.000 2.199 73 Q HA 0.504 4.849 4.340 0.007 0.000 0.232 73 Q C 0.616 176.578 176.000 -0.064 0.000 0.969 73 Q CA 0.215 55.992 55.803 -0.042 0.000 0.925 73 Q CB 1.411 30.133 28.738 -0.027 0.000 1.198 73 Q HN 0.917 nan 8.270 nan 0.000 0.494 74 G N -0.479 108.286 108.800 -0.059 0.000 2.211 74 G HA2 -0.039 3.925 3.960 0.007 0.000 0.201 74 G HA3 -0.039 3.925 3.960 0.007 0.000 0.201 74 G C 0.417 175.262 174.900 -0.093 0.000 0.997 74 G CA -0.136 44.923 45.100 -0.068 0.000 0.652 74 G HN 1.270 nan 8.290 nan 0.000 0.500 75 G N -0.788 107.953 108.800 -0.098 0.000 2.828 75 G HA2 0.311 4.276 3.960 0.007 0.000 0.463 75 G HA3 0.311 4.276 3.960 0.007 0.000 0.463 75 G C 1.154 175.943 174.900 -0.185 0.000 1.394 75 G CA 0.997 46.018 45.100 -0.131 0.000 0.862 75 G HN 1.867 nan 8.290 nan 0.000 0.540 76 A N -0.396 122.287 122.820 -0.228 0.000 1.972 76 A HA 0.135 4.460 4.320 0.007 0.000 0.219 76 A C 2.766 179.911 177.584 -0.732 0.000 1.169 76 A CA 2.866 54.726 52.037 -0.295 0.000 0.635 76 A CB -0.636 18.228 19.000 -0.227 0.000 0.810 76 A HN 1.590 nan 8.150 nan 0.000 0.446 77 S N -0.610 114.695 115.700 -0.658 0.000 2.382 77 S HA -0.143 4.331 4.470 0.007 0.000 0.228 77 S C 1.787 176.167 174.600 -0.366 0.000 1.027 77 S CA 1.429 59.225 58.200 -0.672 0.000 0.991 77 S CB -0.356 62.739 63.200 -0.176 0.000 0.823 77 S HN 0.503 nan 8.310 nan 0.000 0.469 78 L N 1.831 122.907 121.223 -0.244 0.000 2.141 78 L HA -0.027 4.317 4.340 0.007 0.000 0.209 78 L C 2.175 178.944 176.870 -0.168 0.000 1.094 78 L CA 1.534 56.288 54.840 -0.144 0.000 0.763 78 L CB -0.553 41.436 42.059 -0.116 0.000 0.908 78 L HN 0.130 nan 8.230 nan 0.000 0.437 79 Q N -0.718 118.910 119.800 -0.286 0.000 2.226 79 Q HA -0.171 4.173 4.340 0.007 0.000 0.204 79 Q C 2.277 178.176 176.000 -0.169 0.000 0.975 79 Q CA 1.666 57.256 55.803 -0.356 0.000 0.866 79 Q CB -0.514 27.734 28.738 -0.817 0.000 0.915 79 Q HN 0.608 nan 8.270 nan 0.000 0.440 80 F N -0.063 119.822 119.950 -0.109 0.000 2.161 80 F HA -0.237 4.294 4.527 0.007 0.000 0.300 80 F C 2.527 178.325 175.800 -0.002 0.000 1.089 80 F CA 1.111 59.111 58.000 -0.000 0.000 1.282 80 F CB -0.031 39.014 39.000 0.076 0.000 1.010 80 F HN 0.139 nan 8.300 nan 0.000 0.485 81 T N -0.618 114.032 114.554 0.160 0.000 3.010 81 T HA -0.050 4.304 4.350 0.007 0.000 0.252 81 T C 1.820 176.542 174.700 0.037 0.000 1.047 81 T CA 0.277 62.431 62.100 0.091 0.000 1.140 81 T CB -0.059 68.849 68.868 0.067 0.000 0.885 81 T HN 0.178 nan 8.240 nan 0.000 0.464 82 M N 0.658 120.243 119.600 -0.025 0.000 2.159 82 M HA -0.009 4.475 4.480 0.007 0.000 0.263 82 M C 1.981 178.287 176.300 0.011 0.000 1.063 82 M CA 1.364 56.604 55.300 -0.099 0.000 1.110 82 M CB -0.170 32.287 32.600 -0.237 0.000 1.374 82 M HN 0.368 nan 8.290 nan 0.000 0.411 83 L N 1.494 122.771 121.223 0.089 0.000 1.976 83 L HA -0.053 4.291 4.340 0.007 0.000 0.209 83 L C -0.985 175.952 176.870 0.112 0.000 1.071 83 L CA 2.133 57.047 54.840 0.123 0.000 0.746 83 L CB -2.014 40.016 42.059 -0.049 0.000 0.890 83 L HN 0.125 nan 8.230 nan 0.000 0.432 84 P HA -0.183 nan 4.420 nan 0.000 0.218 84 P C 1.986 179.384 177.300 0.164 0.000 1.149 84 P CA 1.784 65.030 63.100 0.244 0.000 0.817 84 P CB -0.206 31.660 31.700 0.278 0.000 0.785 85 M N -0.796 118.864 119.600 0.101 0.000 2.202 85 M HA -0.137 4.348 4.480 0.007 0.000 0.262 85 M C 1.892 178.231 176.300 0.065 0.000 1.063 85 M CA 1.590 56.925 55.300 0.059 0.000 1.097 85 M CB -0.542 32.061 32.600 0.005 0.000 1.382 85 M HN 0.019 nan 8.290 nan 0.000 0.413 86 N N -0.549 118.212 118.700 0.101 0.000 2.387 86 N HA 0.073 4.817 4.740 0.007 0.000 0.176 86 N C 1.492 177.086 175.510 0.140 0.000 1.022 86 N CA 0.952 54.079 53.050 0.129 0.000 0.883 86 N CB 0.505 39.142 38.487 0.251 0.000 1.019 86 N HN 0.348 nan 8.380 nan 0.000 0.435 87 L N 0.346 121.671 121.223 0.171 0.000 2.672 87 L HA 0.215 4.560 4.340 0.007 0.000 0.236 87 L C 0.100 177.104 176.870 0.223 0.000 1.092 87 L CA -0.049 54.904 54.840 0.189 0.000 0.887 87 L CB 0.513 42.706 42.059 0.223 0.000 1.168 87 L HN 0.016 nan 8.230 nan 0.000 0.502 88 L N 2.328 123.694 121.223 0.239 0.000 2.387 88 L HA 0.213 4.558 4.340 0.007 0.000 0.267 88 L C 0.601 177.532 176.870 0.102 0.000 1.197 88 L CA 0.065 55.014 54.840 0.183 0.000 1.070 88 L CB -0.192 42.001 42.059 0.223 0.000 1.349 88 L HN 0.061 nan 8.230 nan 0.000 0.422 89 T N 0.326 114.925 114.554 0.074 0.000 2.902 89 T HA 0.287 4.641 4.350 0.007 0.000 0.280 89 T C 0.188 174.908 174.700 0.033 0.000 0.992 89 T CA -0.948 61.181 62.100 0.049 0.000 1.015 89 T CB 0.904 69.798 68.868 0.043 0.000 1.044 89 T HN 0.520 nan 8.240 nan 0.000 0.520 90 K N 0.115 120.530 120.400 0.026 0.000 2.511 90 K HA 0.274 4.599 4.320 0.007 0.000 0.280 90 K C 1.369 177.977 176.600 0.013 0.000 1.008 90 K CA 1.066 57.364 56.287 0.019 0.000 1.050 90 K CB -0.714 31.796 32.500 0.016 0.000 0.889 90 K HN 1.147 nan 8.250 nan 0.000 0.484 91 G N 2.350 111.155 108.800 0.010 0.000 2.179 91 G HA2 -0.283 3.682 3.960 0.007 0.000 0.260 91 G HA3 -0.283 3.682 3.960 0.007 0.000 0.260 91 G C 0.093 174.991 174.900 -0.003 0.000 0.977 91 G CA 0.617 45.720 45.100 0.004 0.000 0.641 91 G HN 0.931 nan 8.290 nan 0.000 0.533 92 T N -1.583 112.968 114.554 -0.005 0.000 2.940 92 T HA 0.807 5.162 4.350 0.007 0.000 0.288 92 T C -0.117 174.560 174.700 -0.039 0.000 1.045 92 T CA -0.908 61.177 62.100 -0.024 0.000 1.018 92 T CB 2.609 71.464 68.868 -0.022 0.000 1.151 92 T HN 0.567 nan 8.240 nan 0.000 0.529 93 I N 0.581 121.099 120.570 -0.085 0.000 2.509 93 I HA 0.519 4.693 4.170 0.007 0.000 0.293 93 I C 0.609 176.576 176.117 -0.250 0.000 1.020 93 I CA -1.236 60.005 61.300 -0.098 0.000 1.088 93 I CB 2.131 40.086 38.000 -0.075 0.000 1.267 93 I HN 0.967 nan 8.210 nan 0.000 0.430 94 G N 3.826 112.497 108.800 -0.216 0.000 2.393 94 G HA2 0.185 4.150 3.960 0.007 0.000 0.311 94 G HA3 0.185 4.150 3.960 0.007 0.000 0.311 94 G C -0.517 174.342 174.900 -0.069 0.000 1.067 94 G CA -0.237 44.588 45.100 -0.458 0.000 1.000 94 G HN 0.516 nan 8.290 nan 0.000 0.422 95 N N 1.528 120.075 118.700 -0.256 0.000 2.419 95 N HA 0.418 5.163 4.740 0.007 0.000 0.277 95 N C -1.404 174.078 175.510 -0.046 0.000 1.006 95 N CA -0.502 52.567 53.050 0.033 0.000 0.923 95 N CB 0.875 39.373 38.487 0.018 0.000 1.140 95 N HN 0.352 nan 8.380 nan 0.000 0.488 96 Y N 1.134 121.494 120.300 0.100 0.000 2.393 96 Y HA 0.424 4.978 4.550 0.007 0.000 0.341 96 Y C -0.006 175.921 175.900 0.045 0.000 0.988 96 Y CA -0.870 57.303 58.100 0.122 0.000 1.078 96 Y CB 1.638 40.148 38.460 0.084 0.000 1.203 96 Y HN 0.114 nan 8.280 nan 0.000 0.453 97 V N 5.256 125.257 119.914 0.145 0.000 2.350 97 V HA 0.293 4.417 4.120 0.007 0.000 0.276 97 V C -0.219 176.002 176.094 0.212 0.000 1.028 97 V CA -0.805 61.537 62.300 0.070 0.000 0.860 97 V CB 0.826 32.629 31.823 -0.034 0.000 0.990 97 V HN 0.550 nan 8.190 nan 0.000 0.453 98 L N 5.476 126.814 121.223 0.192 0.000 2.261 98 L HA 0.423 4.768 4.340 0.007 0.000 0.289 98 L C 0.976 177.989 176.870 0.239 0.000 1.059 98 L CA -0.065 54.901 54.840 0.211 0.000 0.816 98 L CB 1.211 43.418 42.059 0.247 0.000 1.191 98 L HN 0.855 nan 8.230 nan 0.000 0.431 99 T N -1.789 112.797 114.554 0.052 0.000 3.111 99 T HA 0.520 4.874 4.350 0.007 0.000 0.284 99 T C 0.436 174.790 174.700 -0.576 0.000 0.983 99 T CA 0.079 62.160 62.100 -0.032 0.000 0.900 99 T CB 0.846 69.811 68.868 0.161 0.000 1.132 99 T HN 0.732 nan 8.240 nan 0.000 0.531 100 G N 0.431 108.580 108.800 -1.085 0.000 2.341 100 G HA2 0.390 4.355 3.960 0.007 0.000 0.299 100 G HA3 0.390 4.355 3.960 0.007 0.000 0.299 100 G C 0.353 174.884 174.900 -0.614 0.000 1.274 100 G CA 0.135 44.559 45.100 -1.127 0.000 0.853 100 G HN -0.043 nan 8.290 nan 0.000 0.493 101 S N -1.315 114.273 115.700 -0.188 0.000 2.368 101 S HA -0.079 4.395 4.470 0.007 0.000 0.225 101 S C 1.856 176.314 174.600 -0.236 0.000 1.030 101 S CA 2.258 60.337 58.200 -0.201 0.000 0.999 101 S CB -0.410 62.599 63.200 -0.318 0.000 0.844 101 S HN 0.533 nan 8.310 nan 0.000 0.459 102 W N 1.621 122.933 121.300 0.020 0.000 2.374 102 W HA -0.034 4.630 4.660 0.007 0.000 0.288 102 W C 2.864 179.361 176.519 -0.036 0.000 1.218 102 W CA 0.689 58.077 57.345 0.071 0.000 1.245 102 W CB -0.485 29.088 29.460 0.188 0.000 1.126 102 W HN 0.253 nan 8.180 nan 0.000 0.545 103 S N 0.358 116.156 115.700 0.164 0.000 2.368 103 S HA -0.215 4.260 4.470 0.007 0.000 0.225 103 S C 1.418 175.996 174.600 -0.036 0.000 1.030 103 S CA 1.618 59.890 58.200 0.121 0.000 0.999 103 S CB -0.471 62.798 63.200 0.115 0.000 0.844 103 S HN 0.384 nan 8.310 nan 0.000 0.459 104 E N 1.017 121.172 120.200 -0.074 0.000 2.077 104 E HA -0.123 4.231 4.350 0.007 0.000 0.193 104 E C 2.096 178.583 176.600 -0.187 0.000 0.989 104 E CA 0.770 57.105 56.400 -0.108 0.000 0.800 104 E CB -0.045 29.623 29.700 -0.054 0.000 0.746 104 E HN 0.300 nan 8.360 nan 0.000 0.452 105 K N 0.410 120.694 120.400 -0.194 0.000 2.097 105 K HA -0.083 4.241 4.320 0.007 0.000 0.206 105 K C 2.130 178.412 176.600 -0.530 0.000 1.049 105 K CA 0.985 57.143 56.287 -0.216 0.000 0.933 105 K CB -0.179 32.344 32.500 0.040 0.000 0.717 105 K HN 0.074 nan 8.250 nan 0.000 0.442 106 A N 1.636 123.913 122.820 -0.905 0.000 1.873 106 A HA -0.147 4.177 4.320 0.007 0.000 0.215 106 A C 2.192 179.398 177.584 -0.629 0.000 1.186 106 A CA 1.150 52.613 52.037 -0.956 0.000 0.616 106 A CB -0.584 17.969 19.000 -0.746 0.000 0.823 106 A HN 0.236 nan 8.150 nan 0.000 0.442 107 L N 0.293 121.052 121.223 -0.773 0.000 2.042 107 L HA -0.175 4.169 4.340 0.007 0.000 0.210 107 L C 2.272 178.841 176.870 -0.503 0.000 1.076 107 L CA 2.794 57.012 54.840 -1.038 0.000 0.749 107 L CB -0.632 41.005 42.059 -0.704 0.000 0.893 107 L HN 0.489 nan 8.230 nan 0.000 0.432 108 K N -0.808 119.407 120.400 -0.309 0.000 2.032 108 K HA -0.218 4.107 4.320 0.007 0.000 0.209 108 K C 1.908 178.444 176.600 -0.106 0.000 1.048 108 K CA 1.774 57.965 56.287 -0.160 0.000 0.927 108 K CB -0.103 32.337 32.500 -0.100 0.000 0.712 108 K HN 0.381 nan 8.250 nan 0.000 0.441 109 E N 0.190 120.337 120.200 -0.088 0.000 2.152 109 E HA -0.120 4.234 4.350 0.007 0.000 0.192 109 E C 1.937 178.542 176.600 0.008 0.000 0.983 109 E CA 1.072 57.475 56.400 0.006 0.000 0.818 109 E CB -0.212 29.547 29.700 0.099 0.000 0.758 109 E HN 0.461 nan 8.360 nan 0.000 0.467 110 A N 1.619 124.420 122.820 -0.032 0.000 1.933 110 A HA -0.180 4.144 4.320 0.007 0.000 0.218 110 A C 2.033 179.630 177.584 0.021 0.000 1.175 110 A CA 1.374 53.445 52.037 0.056 0.000 0.628 110 A CB -0.316 18.778 19.000 0.156 0.000 0.814 110 A HN 0.115 nan 8.150 nan 0.000 0.444 111 K N -0.896 119.477 120.400 -0.044 0.000 2.209 111 K HA -0.072 4.253 4.320 0.007 0.000 0.204 111 K C 1.677 178.277 176.600 -0.002 0.000 1.048 111 K CA 1.081 57.352 56.287 -0.027 0.000 0.940 111 K CB -0.261 32.208 32.500 -0.051 0.000 0.729 111 K HN 0.394 nan 8.250 nan 0.000 0.451 112 L N 0.688 121.913 121.223 0.005 0.000 2.291 112 L HA -0.063 4.281 4.340 0.007 0.000 0.214 112 L C 1.440 178.325 176.870 0.026 0.000 1.120 112 L CA 1.521 56.370 54.840 0.015 0.000 0.799 112 L CB 0.105 42.175 42.059 0.019 0.000 0.925 112 L HN 0.108 nan 8.230 nan 0.000 0.446 113 L N -1.967 119.280 121.223 0.039 0.000 2.701 113 L HA 0.482 4.827 4.340 0.007 0.000 0.238 113 L C 0.881 177.783 176.870 0.052 0.000 1.106 113 L CA 0.183 55.052 54.840 0.049 0.000 0.898 113 L CB 0.212 42.312 42.059 0.068 0.000 1.188 113 L HN 0.307 nan 8.230 nan 0.000 0.508 114 G N -0.544 108.286 108.800 0.050 0.000 2.341 114 G HA2 0.111 4.075 3.960 0.007 0.000 0.299 114 G HA3 0.111 4.075 3.960 0.007 0.000 0.299 114 G C -1.747 173.177 174.900 0.039 0.000 1.274 114 G CA -0.627 44.499 45.100 0.045 0.000 0.853 114 G HN -0.129 nan 8.290 nan 0.000 0.493 115 E N 0.024 120.244 120.200 0.033 0.000 2.360 115 E HA 0.483 4.837 4.350 0.007 0.000 0.269 115 E C 0.324 176.952 176.600 0.047 0.000 1.022 115 E CA 0.209 56.630 56.400 0.034 0.000 0.887 115 E CB 0.593 30.309 29.700 0.026 0.000 0.990 115 E HN 0.668 nan 8.360 nan 0.000 0.426 116 T N 1.209 115.801 114.554 0.064 0.000 2.907 116 T HA 0.431 4.786 4.350 0.007 0.000 0.290 116 T C -0.760 174.037 174.700 0.161 0.000 1.066 116 T CA -0.903 61.261 62.100 0.106 0.000 1.012 116 T CB 1.734 70.634 68.868 0.055 0.000 1.184 116 T HN 0.559 nan 8.240 nan 0.000 0.522 117 H N -0.411 118.702 119.070 0.072 0.000 3.064 117 H HA 0.456 5.016 4.556 0.007 0.000 0.352 117 H C -1.769 173.615 175.328 0.093 0.000 1.260 117 H CA -0.819 55.263 56.048 0.056 0.000 1.160 117 H CB 1.971 31.753 29.762 0.034 0.000 1.879 117 H HN 0.689 nan 8.280 nan 0.000 0.544 118 I N 3.409 123.781 120.570 -0.330 0.000 2.359 118 I HA 0.224 4.399 4.170 0.007 0.000 0.284 118 I C 1.195 177.227 176.117 -0.141 0.000 1.018 118 I CA -0.258 60.961 61.300 -0.135 0.000 1.173 118 I CB 1.550 39.479 38.000 -0.119 0.000 1.326 118 I HN 0.667 nan 8.210 nan 0.000 0.462 119 A N 5.276 128.129 122.820 0.056 0.000 1.929 119 A HA 0.481 4.806 4.320 0.007 0.000 0.216 119 A C 1.048 178.621 177.584 -0.018 0.000 1.176 119 A CA 1.339 53.407 52.037 0.052 0.000 0.628 119 A CB 0.052 18.974 19.000 -0.130 0.000 0.816 119 A HN 0.798 nan 8.150 nan 0.000 0.444 120 A N -2.492 120.295 122.820 -0.056 0.000 2.583 120 A HA 0.622 4.947 4.320 0.007 0.000 0.292 120 A C -0.590 177.032 177.584 0.063 0.000 1.045 120 A CA 0.355 52.417 52.037 0.043 0.000 0.672 120 A CB 0.302 19.393 19.000 0.152 0.000 1.283 120 A HN 1.170 nan 8.150 nan 0.000 0.419 121 S N -0.639 115.119 115.700 0.096 0.000 2.548 121 S HA 0.597 5.071 4.470 0.007 0.000 0.278 121 S C -0.075 174.570 174.600 0.074 0.000 1.150 121 S CA 0.493 58.760 58.200 0.111 0.000 0.907 121 S CB 1.281 64.519 63.200 0.062 0.000 1.108 121 S HN 1.974 nan 8.310 nan 0.000 0.459 122 T N 1.236 115.850 114.554 0.100 0.000 3.243 122 T HA 0.312 4.666 4.350 0.007 0.000 0.264 122 T C 1.166 175.631 174.700 -0.392 0.000 1.000 122 T CA -0.313 61.766 62.100 -0.035 0.000 0.901 122 T CB 0.122 69.026 68.868 0.059 0.000 1.083 122 T HN 0.587 nan 8.240 nan 0.000 0.559 123 K N 1.437 121.470 120.400 -0.611 0.000 2.097 123 K HA 0.021 4.346 4.320 0.007 0.000 0.206 123 K C 2.418 178.660 176.600 -0.597 0.000 1.049 123 K CA 1.265 56.875 56.287 -1.129 0.000 0.933 123 K CB -0.523 31.628 32.500 -0.582 0.000 0.717 123 K HN 0.440 nan 8.250 nan 0.000 0.442 124 A N 0.928 123.556 122.820 -0.320 0.000 2.070 124 A HA -0.139 4.186 4.320 0.007 0.000 0.220 124 A C 1.528 179.003 177.584 -0.181 0.000 1.159 124 A CA 1.375 53.292 52.037 -0.201 0.000 0.656 124 A CB -0.395 18.531 19.000 -0.123 0.000 0.800 124 A HN 0.480 nan 8.150 nan 0.000 0.453 125 N N -0.231 118.350 118.700 -0.198 0.000 2.321 125 N HA 0.108 4.853 4.740 0.007 0.000 0.242 125 N C -0.567 174.852 175.510 -0.153 0.000 1.141 125 N CA 0.477 53.447 53.050 -0.133 0.000 0.864 125 N CB 0.079 38.516 38.487 -0.082 0.000 1.100 125 N HN 0.170 nan 8.380 nan 0.000 0.510 126 S N 0.167 115.712 115.700 -0.259 0.000 3.635 126 S HA -0.215 4.260 4.470 0.007 0.000 0.328 126 S C -0.315 174.168 174.600 -0.195 0.000 1.135 126 S CA 0.497 58.569 58.200 -0.214 0.000 0.942 126 S CB -2.163 61.015 63.200 -0.037 0.000 0.930 126 S HN 0.687 nan 8.310 nan 0.000 0.512 127 Y N -1.474 118.670 120.300 -0.259 0.000 3.168 127 Y HA -0.324 4.230 4.550 0.007 0.000 0.207 127 Y C 1.399 177.228 175.900 -0.118 0.000 1.280 127 Y CA 0.825 58.729 58.100 -0.327 0.000 1.235 127 Y CB -1.925 36.024 38.460 -0.852 0.000 1.370 127 Y HN 0.566 nan 8.280 nan 0.000 0.537 128 Q N 0.004 119.850 119.800 0.077 0.000 2.432 128 Q HA 0.032 4.376 4.340 0.007 0.000 0.205 128 Q C 0.830 176.882 176.000 0.088 0.000 0.945 128 Q CA 0.847 56.715 55.803 0.109 0.000 0.924 128 Q CB 0.457 29.238 28.738 0.071 0.000 1.016 128 Q HN 0.532 nan 8.270 nan 0.000 0.503 129 S N -1.107 114.633 115.700 0.066 0.000 2.625 129 S HA 0.476 4.950 4.470 0.007 0.000 0.271 129 S C -0.872 173.738 174.600 0.016 0.000 1.161 129 S CA -1.040 57.175 58.200 0.026 0.000 0.820 129 S CB 1.298 64.498 63.200 -0.001 0.000 1.137 129 S HN -0.017 nan 8.310 nan 0.000 0.470 130 I N 2.660 123.196 120.570 -0.057 0.000 2.395 130 I HA 0.415 4.589 4.170 0.007 0.000 0.289 130 I C -1.962 174.127 176.117 -0.048 0.000 1.023 130 I CA -2.158 59.064 61.300 -0.130 0.000 1.350 130 I CB 0.233 38.012 38.000 -0.367 0.000 1.409 130 I HN 0.570 nan 8.210 nan 0.000 0.507 131 P HA 0.102 nan 4.420 nan 0.000 0.272 131 P C -0.634 176.730 177.300 0.108 0.000 1.223 131 P CA -0.377 62.811 63.100 0.147 0.000 0.784 131 P CB 0.714 32.592 31.700 0.296 0.000 0.923 132 D N 1.315 121.717 120.400 0.002 0.000 2.455 132 D HA 0.016 4.660 4.640 0.007 0.000 0.241 132 D C 1.299 177.557 176.300 -0.071 0.000 1.138 132 D CA 0.178 54.095 54.000 -0.138 0.000 0.877 132 D CB 0.114 40.849 40.800 -0.107 0.000 1.187 132 D HN 0.359 nan 8.370 nan 0.000 0.451 133 F N 0.564 120.279 119.950 -0.391 0.000 2.269 133 F HA -0.210 4.321 4.527 0.007 0.000 0.301 133 F C 2.574 178.029 175.800 -0.575 0.000 1.082 133 F CA 0.436 57.879 58.000 -0.928 0.000 1.360 133 F CB -0.076 38.532 39.000 -0.654 0.000 1.041 133 F HN 0.314 nan 8.300 nan 0.000 0.512 134 S N -0.204 115.442 115.700 -0.088 0.000 2.500 134 S HA -0.147 4.328 4.470 0.007 0.000 0.239 134 S C 1.303 175.930 174.600 0.046 0.000 0.989 134 S CA 0.855 59.041 58.200 -0.023 0.000 0.951 134 S CB -0.383 62.803 63.200 -0.022 0.000 0.759 134 S HN 0.431 nan 8.310 nan 0.000 0.523 135 E N 0.339 120.601 120.200 0.103 0.000 2.478 135 E HA 0.146 4.501 4.350 0.007 0.000 0.194 135 E C -0.591 176.226 176.600 0.362 0.000 1.045 135 E CA -0.161 56.361 56.400 0.202 0.000 0.868 135 E CB -0.051 29.777 29.700 0.213 0.000 0.885 135 E HN 0.504 nan 8.360 nan 0.000 0.505 136 F N 2.333 122.352 119.950 0.116 0.000 2.578 136 F HA 0.025 4.556 4.527 0.007 0.000 0.381 136 F C 1.126 176.973 175.800 0.078 0.000 1.069 136 F CA -0.275 57.791 58.000 0.110 0.000 1.231 136 F CB 0.223 39.285 39.000 0.103 0.000 1.086 136 F HN -0.195 nan 8.300 nan 0.000 0.564 137 Q N 5.212 125.164 119.800 0.254 0.000 2.398 137 Q HA 0.451 4.795 4.340 0.007 0.000 0.251 137 Q C -0.445 175.626 176.000 0.117 0.000 0.999 137 Q CA -0.190 55.728 55.803 0.191 0.000 0.874 137 Q CB 1.673 30.573 28.738 0.269 0.000 1.215 137 Q HN 0.578 nan 8.270 nan 0.000 0.470 138 L N 2.167 123.383 121.223 -0.012 0.000 2.330 138 L HA 0.522 4.867 4.340 0.007 0.000 0.271 138 L C -0.214 176.545 176.870 -0.184 0.000 1.013 138 L CA -0.925 53.826 54.840 -0.148 0.000 0.816 138 L CB 1.591 43.418 42.059 -0.387 0.000 1.287 138 L HN 0.468 nan 8.230 nan 0.000 0.435 139 N N -0.411 118.206 118.700 -0.139 0.000 2.240 139 N HA 0.172 4.916 4.740 0.007 0.000 0.302 139 N C 0.182 175.712 175.510 0.033 0.000 1.106 139 N CA -0.789 52.199 53.050 -0.102 0.000 0.778 139 N CB 2.313 40.694 38.487 -0.176 0.000 1.431 139 N HN 0.600 nan 8.380 nan 0.000 0.479 140 E N 1.056 121.265 120.200 0.015 0.000 2.118 140 E HA -0.242 4.113 4.350 0.007 0.000 0.195 140 E C 0.399 177.033 176.600 0.056 0.000 0.992 140 E CA 1.250 57.683 56.400 0.056 0.000 0.804 140 E CB 0.082 29.793 29.700 0.018 0.000 0.741 140 E HN 0.651 nan 8.360 nan 0.000 0.458 141 N N 0.890 119.598 118.700 0.014 0.000 2.295 141 N HA -0.016 4.728 4.740 0.007 0.000 0.221 141 N C -0.881 174.609 175.510 -0.034 0.000 1.129 141 N CA -0.040 53.004 53.050 -0.009 0.000 0.836 141 N CB 0.024 38.501 38.487 -0.016 0.000 1.040 141 N HN -0.071 nan 8.380 nan 0.000 0.494 142 D N 1.060 121.448 120.400 -0.020 0.000 2.458 142 D HA 0.091 4.735 4.640 0.007 0.000 0.243 142 D C 1.029 177.247 176.300 -0.135 0.000 1.146 142 D CA 0.076 54.023 54.000 -0.088 0.000 0.877 142 D CB 1.486 42.279 40.800 -0.012 0.000 1.176 142 D HN 0.347 nan 8.370 nan 0.000 0.461 143 A N 3.209 125.915 122.820 -0.191 0.000 2.014 143 A HA 0.034 4.359 4.320 0.007 0.000 0.218 143 A C 0.192 177.776 177.584 -0.000 0.000 1.163 143 A CA 1.113 53.088 52.037 -0.102 0.000 0.652 143 A CB -0.324 18.626 19.000 -0.084 0.000 0.808 143 A HN 0.695 nan 8.150 nan 0.000 0.449 144 Y N -5.392 114.861 120.300 -0.079 0.000 2.732 144 Y HA 0.595 5.150 4.550 0.007 0.000 0.342 144 Y C -1.460 174.380 175.900 -0.101 0.000 1.203 144 Y CA -1.807 56.232 58.100 -0.103 0.000 1.092 144 Y CB 0.504 38.931 38.460 -0.055 0.000 1.345 144 Y HN 0.001 nan 8.280 nan 0.000 0.458 145 L N 3.185 124.486 121.223 0.130 0.000 2.319 145 L HA 0.483 4.828 4.340 0.007 0.000 0.281 145 L C -1.082 175.853 176.870 0.108 0.000 1.005 145 L CA -0.355 54.532 54.840 0.080 0.000 0.828 145 L CB 0.897 43.008 42.059 0.086 0.000 1.227 145 L HN 0.876 nan 8.230 nan 0.000 0.415 146 H N 6.252 125.264 119.070 -0.098 0.000 2.467 146 H HA 0.544 5.105 4.556 0.007 0.000 0.326 146 H C -0.878 174.417 175.328 -0.054 0.000 1.094 146 H CA -0.432 55.532 56.048 -0.140 0.000 1.253 146 H CB 1.473 30.953 29.762 -0.470 0.000 1.439 146 H HN 0.776 nan 8.280 nan 0.000 0.479 147 I N 1.244 121.654 120.570 -0.267 0.000 3.108 147 I HA 0.495 4.669 4.170 0.007 0.000 0.312 147 I C -0.954 175.048 176.117 -0.192 0.000 1.095 147 I CA -0.863 60.382 61.300 -0.092 0.000 1.000 147 I CB 2.577 40.477 38.000 -0.168 0.000 1.229 147 I HN 0.327 nan 8.210 nan 0.000 0.454 148 T N 1.818 116.412 114.554 0.066 0.000 2.842 148 T HA 0.216 4.570 4.350 0.007 0.000 0.308 148 T C 1.010 175.813 174.700 0.171 0.000 1.041 148 T CA -0.234 61.931 62.100 0.109 0.000 0.964 148 T CB 1.294 70.316 68.868 0.256 0.000 0.972 148 T HN 0.820 nan 8.240 nan 0.000 0.460 149 S N 3.134 118.869 115.700 0.057 0.000 2.382 149 S HA -0.067 4.407 4.470 0.007 0.000 0.228 149 S C 0.762 175.585 174.600 0.371 0.000 1.027 149 S CA 0.521 58.852 58.200 0.218 0.000 0.991 149 S CB -0.263 63.055 63.200 0.196 0.000 0.823 149 S HN 0.628 nan 8.310 nan 0.000 0.469 150 N N 1.399 120.250 118.700 0.253 0.000 2.448 150 N HA 0.295 5.039 4.740 0.007 0.000 0.279 150 N C -1.968 173.699 175.510 0.261 0.000 1.025 150 N CA -0.507 52.697 53.050 0.257 0.000 0.898 150 N CB 0.977 39.593 38.487 0.216 0.000 1.303 150 N HN 0.100 nan 8.380 nan 0.000 0.495 151 N N 2.749 121.623 118.700 0.289 0.000 2.719 151 N HA 0.070 4.814 4.740 0.007 0.000 0.243 151 N C 0.365 176.081 175.510 0.343 0.000 1.104 151 N CA 0.036 53.278 53.050 0.319 0.000 0.981 151 N CB 0.947 39.592 38.487 0.263 0.000 1.290 151 N HN 0.615 nan 8.380 nan 0.000 0.513 152 T N 0.784 115.574 114.554 0.393 0.000 2.737 152 T HA -0.094 4.260 4.350 0.007 0.000 0.269 152 T C 1.930 176.795 174.700 0.275 0.000 1.040 152 T CA 0.987 63.300 62.100 0.356 0.000 1.142 152 T CB 0.175 69.287 68.868 0.407 0.000 0.861 152 T HN 0.443 nan 8.240 nan 0.000 0.456 153 I N -1.004 119.689 120.570 0.204 0.000 2.584 153 I HA -0.009 4.166 4.170 0.007 0.000 0.255 153 I C 1.686 177.691 176.117 -0.186 0.000 1.145 153 I CA 1.083 62.329 61.300 -0.090 0.000 1.462 153 I CB -0.064 37.675 38.000 -0.435 0.000 1.102 153 I HN 0.213 nan 8.210 nan 0.000 0.433 154 Y N 0.350 120.731 120.300 0.135 0.000 2.497 154 Y HA 0.259 4.814 4.550 0.008 0.000 0.265 154 Y C 1.805 177.831 175.900 0.210 0.000 1.111 154 Y CA 0.444 58.649 58.100 0.175 0.000 1.288 154 Y CB 0.383 38.931 38.460 0.145 0.000 1.082 154 Y HN 0.202 nan 8.280 nan 0.000 0.536 155 G N 1.472 110.447 108.800 0.293 0.000 2.160 155 G HA2 -0.269 3.695 3.960 0.007 0.000 0.244 155 G HA3 -0.269 3.695 3.960 0.007 0.000 0.244 155 G C 0.114 175.170 174.900 0.260 0.000 1.022 155 G CA 0.461 45.717 45.100 0.259 0.000 0.741 155 G HN 0.426 nan 8.290 nan 0.000 0.508 156 T N -3.296 111.411 114.554 0.254 0.000 2.932 156 T HA 0.791 5.145 4.350 0.007 0.000 0.289 156 T C -0.634 174.185 174.700 0.198 0.000 1.039 156 T CA -0.169 62.049 62.100 0.196 0.000 1.024 156 T CB 2.868 71.837 68.868 0.168 0.000 1.090 156 T HN 0.777 nan 8.240 nan 0.000 0.496 157 Q N 0.493 120.387 119.800 0.156 0.000 2.352 157 Q HA 0.342 4.686 4.340 0.007 0.000 0.270 157 Q C -1.833 174.255 176.000 0.146 0.000 1.006 157 Q CA -0.815 55.110 55.803 0.203 0.000 0.880 157 Q CB 1.843 30.694 28.738 0.188 0.000 1.392 157 Q HN 0.765 nan 8.270 nan 0.000 0.401 158 Y N 2.518 122.858 120.300 0.066 0.000 2.620 158 Y HA -0.071 4.483 4.550 0.007 0.000 0.330 158 Y C 1.349 177.144 175.900 -0.175 0.000 1.186 158 Y CA 0.566 58.635 58.100 -0.051 0.000 1.467 158 Y CB 0.753 39.131 38.460 -0.136 0.000 1.262 158 Y HN 0.605 nan 8.280 nan 0.000 0.550 159 Q N 2.177 121.944 119.800 -0.054 0.000 2.269 159 Q HA 0.002 4.347 4.340 0.007 0.000 0.201 159 Q C -0.186 175.734 176.000 -0.134 0.000 0.946 159 Q CA 0.788 56.544 55.803 -0.079 0.000 0.877 159 Q CB -0.110 28.579 28.738 -0.082 0.000 0.963 159 Q HN 0.868 nan 8.270 nan 0.000 0.472 160 N N -1.711 116.876 118.700 -0.189 0.000 3.020 160 N HA 0.450 5.194 4.740 0.007 0.000 0.248 160 N C -1.423 173.984 175.510 -0.172 0.000 1.480 160 N CA -0.674 52.269 53.050 -0.178 0.000 0.874 160 N CB 0.303 38.814 38.487 0.041 0.000 1.433 160 N HN -0.165 nan 8.380 nan 0.000 0.530 161 F N -0.780 119.372 119.950 0.336 0.000 2.546 161 F HA 0.669 5.200 4.527 0.007 0.000 0.320 161 F C -2.086 173.671 175.800 -0.070 0.000 1.076 161 F CA -1.769 56.321 58.000 0.150 0.000 0.928 161 F CB 2.324 41.320 39.000 -0.007 0.000 1.189 161 F HN 0.287 nan 8.300 nan 0.000 0.465 162 P HA 0.053 nan 4.420 nan 0.000 0.274 162 P C -0.912 176.289 177.300 -0.165 0.000 1.231 162 P CA -0.242 62.573 63.100 -0.475 0.000 0.790 162 P CB 0.926 32.145 31.700 -0.803 0.000 0.951 163 E N 2.138 122.292 120.200 -0.078 0.000 2.044 163 E HA 0.274 4.629 4.350 0.007 0.000 0.282 163 E C -0.326 176.261 176.600 -0.022 0.000 1.031 163 E CA -0.360 56.013 56.400 -0.045 0.000 0.824 163 E CB 0.325 30.023 29.700 -0.003 0.000 1.076 163 E HN 0.303 nan 8.360 nan 0.000 0.395 164 I N 3.351 123.908 120.570 -0.021 0.000 2.389 164 I HA 0.127 4.301 4.170 0.007 0.000 0.288 164 I C 1.095 177.241 176.117 0.049 0.000 0.999 164 I CA -0.420 60.920 61.300 0.067 0.000 1.129 164 I CB 1.181 39.215 38.000 0.056 0.000 1.288 164 I HN 0.451 nan 8.210 nan 0.000 0.444 165 N N 4.160 122.927 118.700 0.112 0.000 2.257 165 N HA -0.071 4.674 4.740 0.007 0.000 0.200 165 N C 1.419 176.979 175.510 0.082 0.000 1.163 165 N CA -0.025 53.067 53.050 0.070 0.000 0.891 165 N CB 0.061 38.587 38.487 0.065 0.000 1.067 165 N HN 0.602 nan 8.380 nan 0.000 0.497 166 H N -0.163 118.905 119.070 -0.004 0.000 2.551 166 H HA 0.503 5.064 4.556 0.007 0.000 0.266 166 H C -0.058 175.267 175.328 -0.005 0.000 0.964 166 H CA 0.466 56.512 56.048 -0.004 0.000 1.180 166 H CB 0.204 29.964 29.762 -0.003 0.000 1.408 166 H HN 0.315 nan 8.280 nan 0.000 0.563 167 A N 1.098 123.560 122.820 -0.598 0.000 2.586 167 A HA 0.470 4.794 4.320 0.007 0.000 0.291 167 A C -2.981 174.450 177.584 -0.254 0.000 1.062 167 A CA -1.306 50.451 52.037 -0.466 0.000 0.666 167 A CB 1.089 19.680 19.000 -0.681 0.000 1.281 167 A HN 0.083 nan 8.150 nan 0.000 0.421 168 P HA 0.389 nan 4.420 nan 0.000 0.275 168 P C -0.710 176.578 177.300 -0.020 0.000 1.227 168 P CA -0.119 62.951 63.100 -0.050 0.000 0.781 168 P CB 0.748 32.440 31.700 -0.013 0.000 0.906 169 L N 4.808 126.008 121.223 -0.038 0.000 2.319 169 L HA 0.322 4.666 4.340 0.007 0.000 0.280 169 L C -0.549 176.355 176.870 0.058 0.000 1.099 169 L CA -0.003 54.818 54.840 -0.031 0.000 0.828 169 L CB -0.184 41.762 42.059 -0.188 0.000 1.150 169 L HN 0.177 nan 8.230 nan 0.000 0.442 170 I N 5.144 125.732 120.570 0.029 0.000 2.465 170 I HA 0.673 4.847 4.170 0.007 0.000 0.291 170 I C -0.146 175.851 176.117 -0.201 0.000 1.014 170 I CA -0.891 60.397 61.300 -0.021 0.000 1.093 170 I CB 1.226 39.192 38.000 -0.057 0.000 1.267 170 I HN 0.724 nan 8.210 nan 0.000 0.431 171 A N 3.991 126.639 122.820 -0.286 0.000 2.374 171 A HA 0.533 4.857 4.320 0.007 0.000 0.305 171 A C -0.813 176.333 177.584 -0.730 0.000 1.053 171 A CA -0.590 51.143 52.037 -0.506 0.000 0.726 171 A CB 1.104 19.799 19.000 -0.509 0.000 1.229 171 A HN 0.634 nan 8.150 nan 0.000 0.431 172 D N 3.117 123.036 120.400 -0.800 0.000 2.374 172 D HA 0.286 4.931 4.640 0.007 0.000 0.240 172 D C 0.367 176.385 176.300 -0.470 0.000 1.229 172 D CA 0.163 53.623 54.000 -0.900 0.000 0.895 172 D CB 0.256 40.875 40.800 -0.302 0.000 1.046 172 D HN 0.447 nan 8.370 nan 0.000 0.498 173 M N 2.318 121.627 119.600 -0.485 0.000 2.560 173 M HA 0.058 4.542 4.480 0.007 0.000 0.297 173 M C 1.610 177.780 176.300 -0.217 0.000 1.201 173 M CA -0.372 54.755 55.300 -0.289 0.000 0.973 173 M CB 0.414 32.823 32.600 -0.318 0.000 1.401 173 M HN 0.160 nan 8.290 nan 0.000 0.497 174 S N 1.325 116.883 115.700 -0.236 0.000 2.372 174 S HA -0.160 4.315 4.470 0.007 0.000 0.227 174 S C 1.862 176.347 174.600 -0.191 0.000 1.044 174 S CA 2.292 60.363 58.200 -0.216 0.000 1.050 174 S CB -0.187 62.853 63.200 -0.266 0.000 0.901 174 S HN 0.696 nan 8.310 nan 0.000 0.447 175 S N 0.662 116.295 115.700 -0.112 0.000 2.577 175 S HA 0.123 4.598 4.470 0.007 0.000 0.219 175 S C 0.441 175.082 174.600 0.069 0.000 0.962 175 S CA 0.343 58.521 58.200 -0.038 0.000 0.921 175 S CB 0.092 63.371 63.200 0.132 0.000 0.789 175 S HN 0.637 nan 8.310 nan 0.000 0.497 176 D N -0.195 120.221 120.400 0.026 0.000 2.530 176 D HA 0.193 4.838 4.640 0.007 0.000 0.253 176 D C -0.010 176.300 176.300 0.018 0.000 1.338 176 D CA -0.627 53.418 54.000 0.076 0.000 0.806 176 D CB -0.777 40.105 40.800 0.137 0.000 1.160 176 D HN 0.344 nan 8.370 nan 0.000 0.514 177 I N 1.620 122.157 120.570 -0.054 0.000 2.710 177 I HA 0.126 4.301 4.170 0.007 0.000 0.286 177 I C 0.817 176.912 176.117 -0.037 0.000 1.181 177 I CA -0.199 61.053 61.300 -0.079 0.000 1.430 177 I CB 0.316 38.241 38.000 -0.125 0.000 1.367 177 I HN 0.142 nan 8.210 nan 0.000 0.577 178 L N 5.501 126.707 121.223 -0.029 0.000 3.717 178 L HA -0.246 4.098 4.340 0.007 0.000 0.414 178 L C 1.234 178.124 176.870 0.033 0.000 1.228 178 L CA 1.648 56.486 54.840 -0.004 0.000 0.918 178 L CB -2.125 39.928 42.059 -0.010 0.000 1.865 178 L HN 0.919 nan 8.230 nan 0.000 0.922 179 S N -1.324 114.407 115.700 0.052 0.000 2.556 179 S HA 0.405 4.879 4.470 0.007 0.000 0.216 179 S C 0.632 175.276 174.600 0.072 0.000 0.970 179 S CA 0.176 58.425 58.200 0.082 0.000 0.912 179 S CB 0.185 63.453 63.200 0.114 0.000 0.790 179 S HN 0.791 nan 8.310 nan 0.000 0.504 180 R N -1.366 119.169 120.500 0.059 0.000 2.765 180 R HA 0.491 4.835 4.340 0.007 0.000 0.277 180 R C -3.726 172.604 176.300 0.049 0.000 1.028 180 R CA -1.707 54.428 56.100 0.059 0.000 0.860 180 R CB -0.683 29.666 30.300 0.083 0.000 1.270 180 R HN -0.086 nan 8.270 nan 0.000 0.484 181 P HA 0.166 nan 4.420 nan 0.000 0.269 181 P C -1.171 176.173 177.300 0.073 0.000 1.215 181 P CA -0.417 62.707 63.100 0.041 0.000 0.780 181 P CB 0.474 32.197 31.700 0.038 0.000 0.898 182 L N 1.734 122.989 121.223 0.054 0.000 2.409 182 L HA 0.425 4.769 4.340 0.007 0.000 0.262 182 L C -0.760 176.151 176.870 0.068 0.000 0.992 182 L CA -0.560 54.330 54.840 0.084 0.000 0.817 182 L CB 2.084 44.139 42.059 -0.006 0.000 1.350 182 L HN 0.155 nan 8.230 nan 0.000 0.411 183 K N 3.683 124.159 120.400 0.126 0.000 2.244 183 K HA 0.265 4.589 4.320 0.007 0.000 0.263 183 K C 0.677 177.332 176.600 0.093 0.000 1.103 183 K CA -0.326 56.010 56.287 0.082 0.000 0.966 183 K CB 1.193 33.747 32.500 0.091 0.000 1.429 183 K HN 0.529 nan 8.250 nan 0.000 0.434 184 V N 1.863 121.764 119.914 -0.022 0.000 2.594 184 V HA -0.264 3.861 4.120 0.007 0.000 0.253 184 V C 1.638 177.688 176.094 -0.074 0.000 1.069 184 V CA 1.476 63.711 62.300 -0.109 0.000 1.082 184 V CB -0.398 31.181 31.823 -0.406 0.000 0.680 184 V HN 0.705 nan 8.190 nan 0.000 0.469 185 N N 0.153 118.829 118.700 -0.039 0.000 2.519 185 N HA -0.167 4.577 4.740 0.007 0.000 0.186 185 N C 1.792 177.322 175.510 0.032 0.000 1.062 185 N CA 0.909 54.009 53.050 0.084 0.000 0.910 185 N CB -0.181 38.350 38.487 0.072 0.000 0.958 185 N HN 0.634 nan 8.380 nan 0.000 0.445 186 Q N -0.913 118.832 119.800 -0.092 0.000 2.369 186 Q HA 0.009 4.353 4.340 0.007 0.000 0.206 186 Q C -0.293 175.366 176.000 -0.568 0.000 0.963 186 Q CA 0.690 56.266 55.803 -0.378 0.000 0.894 186 Q CB 0.147 28.513 28.738 -0.620 0.000 0.965 186 Q HN 0.257 nan 8.270 nan 0.000 0.475 187 F N -1.928 117.994 119.950 -0.047 0.000 2.522 187 F HA 0.403 4.935 4.527 0.008 0.000 0.324 187 F C 1.188 177.034 175.800 0.078 0.000 1.077 187 F CA -0.867 57.099 58.000 -0.056 0.000 0.944 187 F CB 1.378 40.286 39.000 -0.154 0.000 1.175 187 F HN -0.204 nan 8.300 nan 0.000 0.468 188 G N 1.321 110.225 108.800 0.173 0.000 2.492 188 G HA2 0.124 4.088 3.960 0.007 0.000 0.214 188 G HA3 0.124 4.088 3.960 0.007 0.000 0.214 188 G C 0.113 175.072 174.900 0.099 0.000 1.147 188 G CA 0.348 45.507 45.100 0.098 0.000 0.809 188 G HN 0.440 nan 8.290 nan 0.000 0.533 189 M N 0.227 119.887 119.600 0.100 0.000 2.414 189 M HA 0.501 4.985 4.480 0.007 0.000 0.287 189 M C -2.264 174.015 176.300 -0.034 0.000 1.181 189 M CA -0.532 54.779 55.300 0.017 0.000 0.933 189 M CB 2.365 34.916 32.600 -0.083 0.000 1.732 189 M HN -0.094 nan 8.290 nan 0.000 0.486 190 I N 4.854 125.361 120.570 -0.105 0.000 2.545 190 I HA 0.528 4.703 4.170 0.007 0.000 0.292 190 I C -1.431 174.645 176.117 -0.069 0.000 1.040 190 I CA -0.703 60.442 61.300 -0.259 0.000 1.068 190 I CB 2.243 39.979 38.000 -0.439 0.000 1.251 190 I HN 0.685 nan 8.210 nan 0.000 0.424 191 Y N 4.072 124.269 120.300 -0.171 0.000 2.581 191 Y HA 0.948 5.502 4.550 0.007 0.000 0.345 191 Y C -0.966 174.863 175.900 -0.117 0.000 1.036 191 Y CA -1.343 56.691 58.100 -0.110 0.000 1.042 191 Y CB 1.824 40.252 38.460 -0.053 0.000 1.289 191 Y HN 0.579 nan 8.280 nan 0.000 0.471 192 A N 1.326 124.164 122.820 0.030 0.000 2.512 192 A HA 0.626 4.950 4.320 0.007 0.000 0.294 192 A C -0.297 177.258 177.584 -0.048 0.000 1.054 192 A CA -0.346 51.643 52.037 -0.081 0.000 0.756 192 A CB 0.540 19.459 19.000 -0.134 0.000 1.293 192 A HN 1.602 nan 8.150 nan 0.000 0.395 193 G N 0.645 109.390 108.800 -0.091 0.000 2.414 193 G HA2 0.524 4.489 3.960 0.007 0.000 0.236 193 G HA3 0.524 4.489 3.960 0.007 0.000 0.236 193 G C 1.075 175.898 174.900 -0.128 0.000 1.293 193 G CA 0.345 45.378 45.100 -0.112 0.000 0.869 193 G HN 1.867 nan 8.290 nan 0.000 0.556 194 A N 1.721 124.472 122.820 -0.115 0.000 2.066 194 A HA -0.044 4.281 4.320 0.007 0.000 0.218 194 A C 2.162 179.654 177.584 -0.153 0.000 1.157 194 A CA 1.444 53.404 52.037 -0.129 0.000 0.670 194 A CB -0.140 18.782 19.000 -0.130 0.000 0.804 194 A HN 0.730 nan 8.150 nan 0.000 0.453 195 Q N -0.124 119.584 119.800 -0.152 0.000 2.452 195 Q HA 0.022 4.366 4.340 0.007 0.000 0.214 195 Q C 0.552 176.423 176.000 -0.215 0.000 0.966 195 Q CA 0.947 56.663 55.803 -0.144 0.000 0.964 195 Q CB -0.126 28.552 28.738 -0.100 0.000 0.992 195 Q HN 0.687 nan 8.270 nan 0.000 0.517 196 K N -0.305 119.892 120.400 -0.338 0.000 2.354 196 K HA 0.168 4.493 4.320 0.007 0.000 0.210 196 K C 0.999 177.316 176.600 -0.472 0.000 1.184 196 K CA 0.475 56.347 56.287 -0.692 0.000 0.880 196 K CB 0.477 32.341 32.500 -1.061 0.000 1.328 196 K HN 0.013 nan 8.250 nan 0.000 0.466 197 N N -0.210 118.314 118.700 -0.293 0.000 2.181 197 N HA 0.256 5.001 4.740 0.007 0.000 0.207 197 N C 0.724 176.192 175.510 -0.071 0.000 1.182 197 N CA 0.219 53.199 53.050 -0.118 0.000 0.893 197 N CB 0.936 39.373 38.487 -0.084 0.000 1.032 197 N HN -0.004 nan 8.380 nan 0.000 0.513 198 L N -1.854 119.302 121.223 -0.111 0.000 2.749 198 L HA 0.536 4.880 4.340 0.007 0.000 0.242 198 L C 0.828 177.625 176.870 -0.123 0.000 1.103 198 L CA 0.002 54.785 54.840 -0.094 0.000 0.906 198 L CB 0.733 42.733 42.059 -0.098 0.000 1.228 198 L HN 0.073 nan 8.230 nan 0.000 0.517 199 G N -0.119 108.598 108.800 -0.138 0.000 2.327 199 G HA2 0.160 4.124 3.960 0.007 0.000 0.291 199 G HA3 0.160 4.124 3.960 0.007 0.000 0.291 199 G C -3.165 171.660 174.900 -0.125 0.000 1.290 199 G CA -0.639 44.371 45.100 -0.150 0.000 0.857 199 G HN -0.312 nan 8.290 nan 0.000 0.520 200 P HA 0.415 nan 4.420 nan 0.000 0.276 200 P C 0.209 177.473 177.300 -0.061 0.000 1.261 200 P CA -0.072 62.993 63.100 -0.060 0.000 0.800 200 P CB 1.518 33.212 31.700 -0.011 0.000 1.066 201 S N -1.168 114.509 115.700 -0.040 0.000 2.579 201 S HA 0.428 4.902 4.470 0.007 0.000 0.275 201 S C 1.240 175.823 174.600 -0.029 0.000 1.345 201 S CA 1.073 59.248 58.200 -0.042 0.000 1.031 201 S CB -1.016 62.169 63.200 -0.026 0.000 0.892 201 S HN 0.873 nan 8.310 nan 0.000 0.529 202 G N 1.295 110.072 108.800 -0.038 0.000 2.255 202 G HA2 -0.132 3.833 3.960 0.007 0.000 0.196 202 G HA3 -0.132 3.833 3.960 0.007 0.000 0.196 202 G C -0.142 174.736 174.900 -0.037 0.000 0.998 202 G CA 0.015 45.098 45.100 -0.028 0.000 0.656 202 G HN 1.140 nan 8.290 nan 0.000 0.490 203 V N 1.105 120.984 119.914 -0.057 0.000 2.823 203 V HA 0.866 4.991 4.120 0.007 0.000 0.312 203 V C -0.593 175.469 176.094 -0.054 0.000 1.072 203 V CA 0.223 62.488 62.300 -0.058 0.000 0.937 203 V CB 2.336 34.093 31.823 -0.110 0.000 1.013 203 V HN 0.331 nan 8.190 nan 0.000 0.430 204 T N 4.803 119.348 114.554 -0.015 0.000 2.812 204 T HA 0.534 4.888 4.350 0.007 0.000 0.282 204 T C -0.695 174.052 174.700 0.078 0.000 0.990 204 T CA -0.299 61.803 62.100 0.004 0.000 0.960 204 T CB 1.501 70.359 68.868 -0.017 0.000 0.948 204 T HN 0.496 nan 8.240 nan 0.000 0.438 205 V N 4.029 123.994 119.914 0.085 0.000 2.465 205 V HA 0.473 4.597 4.120 0.007 0.000 0.279 205 V C -0.138 176.010 176.094 0.090 0.000 1.045 205 V CA -0.518 61.869 62.300 0.144 0.000 0.938 205 V CB 1.457 33.352 31.823 0.120 0.000 0.986 205 V HN 0.693 nan 8.190 nan 0.000 0.467 206 V N 6.604 126.559 119.914 0.068 0.000 2.483 206 V HA 0.502 4.627 4.120 0.007 0.000 0.297 206 V C -0.340 175.744 176.094 -0.016 0.000 1.027 206 V CA -0.402 61.922 62.300 0.040 0.000 0.855 206 V CB 1.771 33.627 31.823 0.055 0.000 0.995 206 V HN 0.681 nan 8.190 nan 0.000 0.424 207 I N 5.288 125.841 120.570 -0.029 0.000 2.330 207 I HA 0.596 4.770 4.170 0.007 0.000 0.289 207 I C -0.548 175.595 176.117 0.042 0.000 1.001 207 I CA -0.636 60.655 61.300 -0.015 0.000 1.193 207 I CB 1.790 39.747 38.000 -0.071 0.000 1.345 207 I HN 0.396 nan 8.210 nan 0.000 0.461 208 V N 7.011 126.966 119.914 0.069 0.000 2.760 208 V HA 0.342 4.467 4.120 0.007 0.000 0.309 208 V C -0.330 175.725 176.094 -0.065 0.000 1.077 208 V CA -0.811 61.483 62.300 -0.010 0.000 0.910 208 V CB 2.183 33.900 31.823 -0.177 0.000 1.008 208 V HN 0.727 nan 8.190 nan 0.000 0.424 209 K N 4.795 125.040 120.400 -0.259 0.000 2.402 209 K HA 0.115 4.440 4.320 0.007 0.000 0.285 209 K C 1.101 177.498 176.600 -0.338 0.000 1.054 209 K CA 0.223 56.120 56.287 -0.649 0.000 1.001 209 K CB 0.566 32.686 32.500 -0.633 0.000 0.946 209 K HN 0.766 nan 8.250 nan 0.000 0.473 210 K N 2.752 122.980 120.400 -0.286 0.000 2.147 210 K HA -0.171 4.154 4.320 0.007 0.000 0.205 210 K C 0.909 177.436 176.600 -0.122 0.000 1.049 210 K CA 2.074 58.272 56.287 -0.150 0.000 0.936 210 K CB 0.145 32.580 32.500 -0.107 0.000 0.722 210 K HN 0.714 nan 8.250 nan 0.000 0.446 211 D N 0.349 120.665 120.400 -0.140 0.000 2.363 211 D HA -0.154 4.490 4.640 0.007 0.000 0.220 211 D C 1.688 177.938 176.300 -0.084 0.000 0.994 211 D CA 0.227 54.169 54.000 -0.096 0.000 0.890 211 D CB -0.101 40.645 40.800 -0.090 0.000 0.906 211 D HN 0.103 nan 8.370 nan 0.000 0.530 212 L N -0.662 120.498 121.223 -0.105 0.000 2.093 212 L HA 0.205 4.550 4.340 0.007 0.000 0.208 212 L C 0.240 177.082 176.870 -0.047 0.000 1.085 212 L CA 1.349 56.141 54.840 -0.081 0.000 0.755 212 L CB -0.493 41.501 42.059 -0.109 0.000 0.904 212 L HN 0.152 nan 8.230 nan 0.000 0.435 218 E N 1.678 121.875 120.200 -0.006 0.000 3.311 218 E HA 0.100 4.455 4.350 0.007 0.000 0.264 218 E C 0.915 177.511 176.600 -0.007 0.000 0.875 218 E CA 1.488 57.885 56.400 -0.006 0.000 0.969 218 E CB -0.264 29.436 29.700 -0.001 0.000 0.910 218 E HN 1.215 nan 8.360 nan 0.000 0.548 219 Q N -1.361 118.432 119.800 -0.011 0.000 2.342 219 Q HA -0.163 4.181 4.340 0.007 0.000 0.196 219 Q C 0.150 176.141 176.000 -0.015 0.000 0.629 219 Q CA 1.039 56.836 55.803 -0.010 0.000 1.365 219 Q CB -2.018 26.719 28.738 -0.003 0.000 1.406 219 Q HN 0.679 nan 8.270 nan 0.000 0.840 220 V N 2.050 121.950 119.914 -0.023 0.000 2.530 220 V HA 0.266 4.391 4.120 0.007 0.000 0.282 220 V C -1.820 174.245 176.094 -0.048 0.000 1.048 220 V CA -1.233 61.047 62.300 -0.033 0.000 0.997 220 V CB 0.879 32.678 31.823 -0.040 0.000 0.987 220 V HN -0.038 nan 8.190 nan 0.000 0.477 221 P HA 0.045 nan 4.420 nan 0.000 0.265 221 P C 1.112 178.360 177.300 -0.086 0.000 1.187 221 P CA 0.310 63.380 63.100 -0.050 0.000 0.766 221 P CB 0.375 32.055 31.700 -0.034 0.000 0.820 222 T N 1.688 116.180 114.554 -0.103 0.000 2.665 222 T HA -0.188 4.166 4.350 0.007 0.000 0.268 222 T C 1.712 176.248 174.700 -0.274 0.000 1.035 222 T CA 1.410 63.385 62.100 -0.208 0.000 1.151 222 T CB -0.424 68.323 68.868 -0.203 0.000 0.862 222 T HN 0.375 nan 8.240 nan 0.000 0.438 223 M N 0.412 119.928 119.600 -0.140 0.000 2.374 223 M HA 0.130 4.615 4.480 0.007 0.000 0.264 223 M C 1.708 178.035 176.300 0.045 0.000 1.067 223 M CA 1.080 56.367 55.300 -0.023 0.000 1.103 223 M CB -0.898 31.748 32.600 0.077 0.000 1.402 223 M HN 0.269 nan 8.290 nan 0.000 0.444 224 L N -0.914 120.270 121.223 -0.066 0.000 2.607 224 L HA 0.095 4.439 4.340 0.007 0.000 0.228 224 L C 0.417 177.160 176.870 -0.210 0.000 1.123 224 L CA -0.100 54.666 54.840 -0.125 0.000 0.890 224 L CB 0.084 42.083 42.059 -0.100 0.000 1.103 224 L HN 0.211 nan 8.230 nan 0.000 0.468 225 Q N -0.955 118.734 119.800 -0.184 0.000 2.274 225 Q HA 0.122 4.466 4.340 0.007 0.000 0.256 225 Q C 0.131 176.047 176.000 -0.141 0.000 0.927 225 Q CA -0.314 55.383 55.803 -0.176 0.000 0.939 225 Q CB 1.068 29.722 28.738 -0.140 0.000 1.201 225 Q HN 0.167 nan 8.270 nan 0.000 0.426 226 Y N 1.251 121.575 120.300 0.039 0.000 2.207 226 Y HA -0.309 4.245 4.550 0.007 0.000 0.287 226 Y C 2.269 178.184 175.900 0.026 0.000 1.156 226 Y CA 1.215 59.357 58.100 0.071 0.000 1.182 226 Y CB -0.109 38.364 38.460 0.021 0.000 0.979 226 Y HN 0.817 nan 8.280 nan 0.000 0.521 227 A N -0.231 122.650 122.820 0.101 0.000 1.940 227 A HA -0.236 4.089 4.320 0.007 0.000 0.219 227 A C 2.251 179.794 177.584 -0.068 0.000 1.176 227 A CA 2.288 54.336 52.037 0.018 0.000 0.631 227 A CB -1.242 17.751 19.000 -0.011 0.000 0.814 227 A HN 0.435 nan 8.150 nan 0.000 0.446 228 T N -0.649 113.780 114.554 -0.209 0.000 2.684 228 T HA -0.160 4.194 4.350 0.007 0.000 0.267 228 T C 1.796 176.278 174.700 -0.364 0.000 1.036 228 T CA 1.673 63.514 62.100 -0.433 0.000 1.148 228 T CB -0.474 67.906 68.868 -0.812 0.000 0.863 228 T HN 0.665 nan 8.240 nan 0.000 0.436 229 H N 0.243 119.297 119.070 -0.027 0.000 2.436 229 H HA 0.182 4.743 4.556 0.008 0.000 0.294 229 H C 2.392 177.757 175.328 0.062 0.000 1.048 229 H CA 0.744 56.824 56.048 0.053 0.000 1.353 229 H CB -0.301 29.501 29.762 0.067 0.000 1.414 229 H HN 0.346 nan 8.280 nan 0.000 0.536 230 I N 0.986 121.637 120.570 0.135 0.000 2.142 230 I HA -0.265 3.909 4.170 0.007 0.000 0.240 230 I C 2.680 178.830 176.117 0.054 0.000 1.078 230 I CA 1.341 62.689 61.300 0.080 0.000 1.343 230 I CB -0.167 37.868 38.000 0.058 0.000 1.046 230 I HN 0.095 nan 8.210 nan 0.000 0.405 231 K N 0.632 121.051 120.400 0.031 0.000 2.097 231 K HA -0.115 4.210 4.320 0.007 0.000 0.206 231 K C 1.752 178.384 176.600 0.054 0.000 1.049 231 K CA 1.545 57.848 56.287 0.027 0.000 0.933 231 K CB 0.063 32.566 32.500 0.004 0.000 0.717 231 K HN 0.132 nan 8.250 nan 0.000 0.442 232 S N 0.773 116.522 115.700 0.081 0.000 2.577 232 S HA -0.002 4.472 4.470 0.007 0.000 0.219 232 S C -0.426 174.260 174.600 0.144 0.000 0.962 232 S CA 0.279 58.554 58.200 0.125 0.000 0.921 232 S CB 0.094 63.412 63.200 0.196 0.000 0.789 232 S HN 0.463 nan 8.310 nan 0.000 0.497 233 D N 1.502 121.982 120.400 0.132 0.000 2.772 233 D HA -0.184 4.461 4.640 0.007 0.000 0.233 233 D C 0.026 176.492 176.300 0.276 0.000 1.143 233 D CA 0.849 54.942 54.000 0.154 0.000 0.700 233 D CB -1.948 38.934 40.800 0.137 0.000 1.076 233 D HN 0.267 nan 8.370 nan 0.000 0.430 234 S N -2.167 113.703 115.700 0.283 0.000 3.561 234 S HA -0.250 4.224 4.470 0.007 0.000 0.318 234 S C 0.901 175.736 174.600 0.392 0.000 1.181 234 S CA 0.908 59.338 58.200 0.383 0.000 0.916 234 S CB -1.423 61.977 63.200 0.333 0.000 0.966 234 S HN 0.596 nan 8.310 nan 0.000 0.550 235 L N -0.685 120.707 121.223 0.281 0.000 3.168 235 L HA 0.312 4.656 4.340 0.007 0.000 0.277 235 L C 1.373 178.368 176.870 0.209 0.000 1.245 235 L CA -0.268 54.694 54.840 0.202 0.000 1.035 235 L CB -0.077 42.040 42.059 0.095 0.000 1.399 235 L HN 0.383 nan 8.230 nan 0.000 0.580 236 Y N 2.129 122.511 120.300 0.136 0.000 2.114 236 Y HA -0.147 4.407 4.550 0.007 0.000 0.284 236 Y C 1.482 177.428 175.900 0.076 0.000 1.143 236 Y CA 1.491 59.630 58.100 0.065 0.000 1.135 236 Y CB 0.290 38.728 38.460 -0.036 0.000 0.980 236 Y HN 0.486 nan 8.280 nan 0.000 0.499 237 N N -1.233 117.484 118.700 0.027 0.000 2.906 237 N HA 0.141 4.885 4.740 0.007 0.000 0.327 237 N C -1.010 174.417 175.510 -0.139 0.000 1.344 237 N CA -0.246 52.744 53.050 -0.101 0.000 0.823 237 N CB 0.437 38.911 38.487 -0.022 0.000 1.351 237 N HN -0.057 nan 8.380 nan 0.000 0.604 238 T N 2.378 116.742 114.554 -0.315 0.000 2.799 238 T HA 0.261 4.616 4.350 0.007 0.000 0.296 238 T C -2.081 172.453 174.700 -0.275 0.000 0.947 238 T CA -0.435 61.291 62.100 -0.623 0.000 1.141 238 T CB 0.444 68.982 68.868 -0.550 0.000 0.891 238 T HN 0.472 nan 8.240 nan 0.000 0.533 239 P HA 0.284 nan 4.420 nan 0.000 0.276 239 P C -2.705 174.554 177.300 -0.069 0.000 1.261 239 P CA -2.100 60.994 63.100 -0.011 0.000 0.800 239 P CB -0.167 31.645 31.700 0.187 0.000 1.066 240 P HA 0.028 nan 4.420 nan 0.000 0.252 240 P C 1.056 178.362 177.300 0.010 0.000 1.727 240 P CA 0.078 63.171 63.100 -0.011 0.000 1.134 240 P CB -0.601 31.099 31.700 0.000 0.000 1.876 241 T N -0.629 113.887 114.554 -0.064 0.000 2.746 241 T HA -0.217 4.137 4.350 0.007 0.000 0.267 241 T C 1.467 176.240 174.700 0.121 0.000 1.039 241 T CA 0.822 62.877 62.100 -0.076 0.000 1.142 241 T CB -1.111 67.486 68.868 -0.452 0.000 0.866 241 T HN 0.101 nan 8.240 nan 0.000 0.444 242 F N 2.184 122.116 119.950 -0.030 0.000 2.186 242 F HA 0.038 4.569 4.527 0.007 0.000 0.299 242 F C 2.597 178.445 175.800 0.079 0.000 1.090 242 F CA 1.054 59.068 58.000 0.024 0.000 1.307 242 F CB -0.484 38.497 39.000 -0.031 0.000 1.019 242 F HN 0.126 nan 8.300 nan 0.000 0.489 243 S N 0.665 116.393 115.700 0.047 0.000 2.382 243 S HA -0.165 4.309 4.470 0.007 0.000 0.228 243 S C 2.118 176.609 174.600 -0.182 0.000 1.027 243 S CA 1.608 59.761 58.200 -0.078 0.000 0.991 243 S CB -0.461 62.716 63.200 -0.038 0.000 0.823 243 S HN 0.386 nan 8.310 nan 0.000 0.469 244 I N 0.166 120.656 120.570 -0.133 0.000 2.315 244 I HA -0.176 3.998 4.170 0.007 0.000 0.248 244 I C 2.244 178.251 176.117 -0.183 0.000 1.117 244 I CA 1.209 62.362 61.300 -0.244 0.000 1.404 244 I CB -0.380 37.540 38.000 -0.133 0.000 1.071 244 I HN 0.306 nan 8.210 nan 0.000 0.419 245 Y N 1.298 121.475 120.300 -0.207 0.000 2.128 245 Y HA -0.308 4.247 4.550 0.007 0.000 0.284 245 Y C 2.558 178.256 175.900 -0.337 0.000 1.154 245 Y CA 1.753 59.694 58.100 -0.265 0.000 1.149 245 Y CB -0.113 38.153 38.460 -0.322 0.000 0.976 245 Y HN 0.004 nan 8.280 nan 0.000 0.505 246 M N -0.364 118.902 119.600 -0.556 0.000 2.159 246 M HA -0.144 4.340 4.480 0.007 0.000 0.263 246 M C 2.272 178.334 176.300 -0.397 0.000 1.063 246 M CA 1.275 56.238 55.300 -0.562 0.000 1.110 246 M CB -1.419 30.910 32.600 -0.450 0.000 1.374 246 M HN 0.538 nan 8.290 nan 0.000 0.411 247 L N 0.625 121.648 121.223 -0.333 0.000 2.012 247 L HA -0.201 4.143 4.340 0.007 0.000 0.210 247 L C 2.653 179.379 176.870 -0.240 0.000 1.073 247 L CA 1.953 56.629 54.840 -0.273 0.000 0.748 247 L CB -0.751 41.105 42.059 -0.337 0.000 0.891 247 L HN 0.191 nan 8.230 nan 0.000 0.431 248 R N 0.128 120.464 120.500 -0.275 0.000 2.096 248 R HA -0.210 4.135 4.340 0.007 0.000 0.240 248 R C 2.037 178.216 176.300 -0.201 0.000 1.139 248 R CA 2.119 58.096 56.100 -0.205 0.000 0.952 248 R CB -0.996 29.189 30.300 -0.192 0.000 0.854 248 R HN 0.514 nan 8.270 nan 0.000 0.436 249 N N 0.162 118.661 118.700 -0.335 0.000 2.104 249 N HA -0.129 4.616 4.740 0.007 0.000 0.190 249 N C 1.851 177.295 175.510 -0.111 0.000 1.024 249 N CA 1.410 54.305 53.050 -0.259 0.000 0.853 249 N CB -0.450 37.802 38.487 -0.392 0.000 1.008 249 N HN 0.040 nan 8.380 nan 0.000 0.424 250 V N 1.310 121.147 119.914 -0.127 0.000 2.295 250 V HA -0.166 3.959 4.120 0.007 0.000 0.246 250 V C 2.272 178.436 176.094 0.116 0.000 1.049 250 V CA 1.215 63.505 62.300 -0.017 0.000 1.024 250 V CB -0.569 31.204 31.823 -0.084 0.000 0.648 250 V HN 0.248 nan 8.190 nan 0.000 0.447 251 L N -0.368 120.871 121.223 0.025 0.000 2.083 251 L HA -0.186 4.159 4.340 0.007 0.000 0.209 251 L C 2.379 179.278 176.870 0.048 0.000 1.083 251 L CA 1.501 56.364 54.840 0.037 0.000 0.752 251 L CB -0.769 41.285 42.059 -0.007 0.000 0.899 251 L HN 0.326 nan 8.230 nan 0.000 0.433 252 D N -0.695 119.728 120.400 0.038 0.000 2.144 252 D HA -0.235 4.409 4.640 0.007 0.000 0.199 252 D C 1.761 178.114 176.300 0.089 0.000 0.984 252 D CA 1.119 55.144 54.000 0.041 0.000 0.834 252 D CB -0.141 40.674 40.800 0.026 0.000 0.955 252 D HN 0.435 nan 8.370 nan 0.000 0.465 253 W N 1.664 122.931 121.300 -0.055 0.000 2.355 253 W HA -0.126 4.538 4.660 0.006 0.000 0.309 253 W C 2.110 178.610 176.519 -0.032 0.000 1.206 253 W CA 1.164 58.484 57.345 -0.041 0.000 1.284 253 W CB -0.441 28.991 29.460 -0.046 0.000 1.145 253 W HN -0.130 nan 8.180 nan 0.000 0.502 254 I N 0.840 121.411 120.570 0.002 0.000 2.163 254 I HA -0.350 3.825 4.170 0.007 0.000 0.243 254 I C 2.558 178.546 176.117 -0.216 0.000 1.085 254 I CA 2.015 63.179 61.300 -0.227 0.000 1.347 254 I CB -0.818 37.176 38.000 -0.010 0.000 1.044 254 I HN -0.008 nan 8.210 nan 0.000 0.408 255 K N 1.022 121.359 120.400 -0.105 0.000 2.026 255 K HA -0.231 4.093 4.320 0.007 0.000 0.208 255 K C 1.670 178.198 176.600 -0.120 0.000 1.048 255 K CA 2.001 58.234 56.287 -0.089 0.000 0.929 255 K CB -0.051 32.423 32.500 -0.044 0.000 0.713 255 K HN 0.192 nan 8.250 nan 0.000 0.439 256 D N 0.733 121.054 120.400 -0.131 0.000 2.218 256 D HA -0.134 4.511 4.640 0.007 0.000 0.204 256 D C 1.695 177.882 176.300 -0.189 0.000 0.976 256 D CA 0.903 54.826 54.000 -0.128 0.000 0.853 256 D CB 0.027 40.773 40.800 -0.091 0.000 0.939 256 D HN 0.278 nan 8.370 nan 0.000 0.481 257 L N -0.927 120.108 121.223 -0.315 0.000 2.554 257 L HA 0.145 4.490 4.340 0.007 0.000 0.226 257 L C 1.448 178.194 176.870 -0.207 0.000 1.137 257 L CA 0.577 55.225 54.840 -0.320 0.000 0.863 257 L CB 0.135 41.867 42.059 -0.544 0.000 0.985 257 L HN 0.174 nan 8.230 nan 0.000 0.451 258 G N -1.138 107.562 108.800 -0.166 0.000 2.175 258 G HA2 0.029 3.994 3.960 0.007 0.000 0.182 258 G HA3 0.029 3.994 3.960 0.007 0.000 0.182 258 G C 0.563 175.404 174.900 -0.098 0.000 1.003 258 G CA -0.301 44.733 45.100 -0.110 0.000 0.666 258 G HN 0.727 nan 8.290 nan 0.000 0.506 259 G N -0.684 108.046 108.800 -0.118 0.000 2.632 259 G HA2 0.295 4.260 3.960 0.007 0.000 0.224 259 G HA3 0.295 4.260 3.960 0.007 0.000 0.224 259 G C 1.228 176.085 174.900 -0.072 0.000 1.341 259 G CA 1.328 46.377 45.100 -0.085 0.000 0.880 259 G HN 1.843 nan 8.290 nan 0.000 0.566 260 A N -0.902 121.893 122.820 -0.042 0.000 1.972 260 A HA 0.096 4.421 4.320 0.007 0.000 0.219 260 A C 2.087 179.662 177.584 -0.016 0.000 1.169 260 A CA 2.395 54.418 52.037 -0.023 0.000 0.635 260 A CB -0.472 18.523 19.000 -0.010 0.000 0.810 260 A HN 0.799 nan 8.150 nan 0.000 0.446 261 E N -0.321 119.867 120.200 -0.019 0.000 2.107 261 E HA -0.005 4.350 4.350 0.007 0.000 0.191 261 E C 2.268 178.855 176.600 -0.021 0.000 0.982 261 E CA 0.773 57.166 56.400 -0.011 0.000 0.809 261 E CB -0.230 29.464 29.700 -0.011 0.000 0.756 261 E HN 0.618 nan 8.360 nan 0.000 0.459 262 A N 1.256 124.050 122.820 -0.045 0.000 1.898 262 A HA -0.139 4.186 4.320 0.007 0.000 0.216 262 A C 2.085 179.632 177.584 -0.061 0.000 1.181 262 A CA 0.876 52.877 52.037 -0.061 0.000 0.620 262 A CB -0.254 18.687 19.000 -0.098 0.000 0.819 262 A HN 0.098 nan 8.150 nan 0.000 0.442 263 I N 0.094 120.623 120.570 -0.067 0.000 2.315 263 I HA -0.176 3.998 4.170 0.007 0.000 0.248 263 I C 2.869 178.993 176.117 0.013 0.000 1.117 263 I CA 1.148 62.424 61.300 -0.040 0.000 1.404 263 I CB -1.495 36.485 38.000 -0.033 0.000 1.071 263 I HN 0.353 nan 8.210 nan 0.000 0.419 264 A N 0.461 123.291 122.820 0.017 0.000 1.902 264 A HA -0.253 4.072 4.320 0.007 0.000 0.217 264 A C 2.450 180.055 177.584 0.035 0.000 1.181 264 A CA 1.883 53.943 52.037 0.038 0.000 0.623 264 A CB -0.539 18.483 19.000 0.036 0.000 0.818 264 A HN 0.382 nan 8.150 nan 0.000 0.443 265 K N -0.470 119.941 120.400 0.018 0.000 2.057 265 K HA -0.184 4.140 4.320 0.007 0.000 0.207 265 K C 2.237 178.853 176.600 0.026 0.000 1.049 265 K CA 1.568 57.867 56.287 0.019 0.000 0.931 265 K CB -0.203 32.300 32.500 0.005 0.000 0.714 265 K HN 0.632 nan 8.250 nan 0.000 0.440 266 Q N 0.095 119.909 119.800 0.022 0.000 2.084 266 Q HA -0.150 4.194 4.340 0.007 0.000 0.202 266 Q C 1.848 177.883 176.000 0.060 0.000 0.978 266 Q CA 1.463 57.288 55.803 0.037 0.000 0.844 266 Q CB -0.122 28.637 28.738 0.035 0.000 0.898 266 Q HN 0.366 nan 8.270 nan 0.000 0.426 267 N N 0.785 119.526 118.700 0.070 0.000 2.188 267 N HA -0.136 4.608 4.740 0.007 0.000 0.184 267 N C 1.471 177.033 175.510 0.087 0.000 1.018 267 N CA 1.075 54.178 53.050 0.089 0.000 0.858 267 N CB -0.106 38.442 38.487 0.102 0.000 0.989 267 N HN 0.334 nan 8.380 nan 0.000 0.426 268 E N 0.928 121.173 120.200 0.075 0.000 2.077 268 E HA -0.144 4.210 4.350 0.007 0.000 0.193 268 E C 1.670 178.313 176.600 0.073 0.000 0.989 268 E CA 0.910 57.356 56.400 0.077 0.000 0.800 268 E CB -0.030 29.704 29.700 0.057 0.000 0.746 268 E HN 0.496 nan 8.360 nan 0.000 0.452 269 E N 0.850 121.085 120.200 0.057 0.000 2.072 269 E HA -0.173 4.181 4.350 0.007 0.000 0.191 269 E C 2.000 178.632 176.600 0.053 0.000 0.985 269 E CA 0.893 57.323 56.400 0.050 0.000 0.801 269 E CB 0.003 29.727 29.700 0.039 0.000 0.750 269 E HN 0.125 nan 8.360 nan 0.000 0.452 270 K N 0.723 121.158 120.400 0.059 0.000 2.026 270 K HA -0.128 4.196 4.320 0.007 0.000 0.208 270 K C 2.184 178.809 176.600 0.042 0.000 1.048 270 K CA 1.270 57.591 56.287 0.057 0.000 0.929 270 K CB -0.163 32.380 32.500 0.070 0.000 0.713 270 K HN 0.049 nan 8.250 nan 0.000 0.439 271 A N 1.705 124.564 122.820 0.065 0.000 1.902 271 A HA -0.219 4.106 4.320 0.007 0.000 0.217 271 A C 2.046 179.695 177.584 0.108 0.000 1.181 271 A CA 1.716 53.794 52.037 0.067 0.000 0.623 271 A CB -0.419 18.705 19.000 0.206 0.000 0.818 271 A HN 0.263 nan 8.150 nan 0.000 0.443 272 K N -0.148 120.327 120.400 0.126 0.000 2.063 272 K HA -0.143 4.181 4.320 0.007 0.000 0.208 272 K C 1.802 178.435 176.600 0.056 0.000 1.048 272 K CA 1.728 58.085 56.287 0.118 0.000 0.928 272 K CB -0.363 32.182 32.500 0.075 0.000 0.713 272 K HN 0.491 nan 8.250 nan 0.000 0.442 273 I N 1.237 121.816 120.570 0.015 0.000 2.163 273 I HA -0.315 3.859 4.170 0.007 0.000 0.243 273 I C 2.108 178.175 176.117 -0.084 0.000 1.085 273 I CA 0.900 62.187 61.300 -0.022 0.000 1.347 273 I CB -0.216 37.776 38.000 -0.013 0.000 1.044 273 I HN 0.215 nan 8.210 nan 0.000 0.408 274 I N -0.253 120.228 120.570 -0.149 0.000 2.233 274 I HA -0.250 3.925 4.170 0.007 0.000 0.243 274 I C 2.492 178.426 176.117 -0.307 0.000 1.093 274 I CA 1.824 62.940 61.300 -0.308 0.000 1.380 274 I CB -1.572 36.183 38.000 -0.409 0.000 1.067 274 I HN 0.227 nan 8.210 nan 0.000 0.413 275 Y N 1.478 121.708 120.300 -0.117 0.000 2.224 275 Y HA -0.232 4.323 4.550 0.008 0.000 0.289 275 Y C 2.457 178.303 175.900 -0.089 0.000 1.146 275 Y CA 1.041 59.080 58.100 -0.102 0.000 1.182 275 Y CB -0.262 38.168 38.460 -0.050 0.000 0.983 275 Y HN 0.194 nan 8.280 nan 0.000 0.524 276 D N -0.779 119.666 120.400 0.075 0.000 2.144 276 D HA -0.135 4.509 4.640 0.007 0.000 0.199 276 D C 2.067 178.359 176.300 -0.013 0.000 0.984 276 D CA 1.656 55.674 54.000 0.029 0.000 0.834 276 D CB -0.461 40.350 40.800 0.018 0.000 0.955 276 D HN 0.269 nan 8.370 nan 0.000 0.465 277 T N 0.809 115.320 114.554 -0.072 0.000 2.777 277 T HA -0.051 4.304 4.350 0.007 0.000 0.266 277 T C 2.221 176.870 174.700 -0.085 0.000 1.040 277 T CA 0.503 62.539 62.100 -0.107 0.000 1.141 277 T CB -0.138 68.603 68.868 -0.212 0.000 0.868 277 T HN 0.151 nan 8.240 nan 0.000 0.444 278 I N 1.461 121.944 120.570 -0.145 0.000 2.127 278 I HA -0.196 3.979 4.170 0.007 0.000 0.241 278 I C 2.253 178.399 176.117 0.048 0.000 1.075 278 I CA 1.330 62.597 61.300 -0.056 0.000 1.334 278 I CB -0.358 37.578 38.000 -0.107 0.000 1.040 278 I HN 0.132 nan 8.210 nan 0.000 0.405 279 D N 0.542 120.966 120.400 0.040 0.000 2.219 279 D HA -0.137 4.507 4.640 0.007 0.000 0.205 279 D C 1.775 178.098 176.300 0.037 0.000 0.970 279 D CA 1.024 55.051 54.000 0.044 0.000 0.851 279 D CB -0.180 40.643 40.800 0.037 0.000 0.943 279 D HN 0.457 nan 8.370 nan 0.000 0.488 280 E N 0.076 120.295 120.200 0.032 0.000 2.489 280 E HA -0.004 4.351 4.350 0.007 0.000 0.193 280 E C 1.319 177.942 176.600 0.038 0.000 1.057 280 E CA -0.003 56.412 56.400 0.026 0.000 0.866 280 E CB 0.212 29.919 29.700 0.012 0.000 0.916 280 E HN 0.133 nan 8.360 nan 0.000 0.500 281 S N 0.054 115.798 115.700 0.073 0.000 2.631 281 S HA -0.008 4.466 4.470 0.007 0.000 0.217 281 S C 0.344 174.988 174.600 0.074 0.000 0.958 281 S CA -0.109 58.150 58.200 0.098 0.000 0.920 281 S CB -0.449 62.895 63.200 0.239 0.000 0.776 281 S HN 0.291 nan 8.310 nan 0.000 0.517 282 N N 0.891 119.623 118.700 0.054 0.000 2.721 282 N HA -0.176 4.569 4.740 0.007 0.000 0.249 282 N C 0.694 176.238 175.510 0.057 0.000 1.072 282 N CA 0.305 53.380 53.050 0.043 0.000 0.710 282 N CB -1.541 36.963 38.487 0.027 0.000 0.993 282 N HN 0.861 nan 8.380 nan 0.000 0.547 283 G N -1.286 107.553 108.800 0.064 0.000 2.179 283 G HA2 -0.399 3.565 3.960 0.007 0.000 0.260 283 G HA3 -0.399 3.565 3.960 0.007 0.000 0.260 283 G C 0.556 175.472 174.900 0.026 0.000 0.977 283 G CA 0.411 45.539 45.100 0.047 0.000 0.641 283 G HN 0.467 nan 8.290 nan 0.000 0.533 284 F N 0.657 120.523 119.950 -0.140 0.000 2.186 284 F HA 0.324 4.856 4.527 0.008 0.000 0.299 284 F C 1.128 176.658 175.800 -0.450 0.000 1.090 284 F CA 1.025 58.841 58.000 -0.308 0.000 1.307 284 F CB 0.097 38.843 39.000 -0.423 0.000 1.019 284 F HN 0.238 nan 8.300 nan 0.000 0.489 285 Y N -0.339 120.035 120.300 0.124 0.000 2.377 285 Y HA 0.549 5.104 4.550 0.007 0.000 0.339 285 Y C -0.565 175.345 175.900 0.016 0.000 1.011 285 Y CA -1.301 56.807 58.100 0.013 0.000 1.093 285 Y CB 1.562 39.950 38.460 -0.120 0.000 1.201 285 Y HN -0.464 nan 8.280 nan 0.000 0.455 286 V N 2.530 122.564 119.914 0.201 0.000 2.531 286 V HA 0.564 4.689 4.120 0.007 0.000 0.301 286 V C 0.288 176.499 176.094 0.195 0.000 1.034 286 V CA -1.011 61.385 62.300 0.160 0.000 0.865 286 V CB 1.669 33.568 31.823 0.126 0.000 0.995 286 V HN 0.981 nan 8.190 nan 0.000 0.424 287 G N 1.509 110.410 108.800 0.168 0.000 2.483 287 G HA2 0.305 4.269 3.960 0.007 0.000 0.248 287 G HA3 0.305 4.269 3.960 0.007 0.000 0.248 287 G C 0.511 175.547 174.900 0.227 0.000 1.248 287 G CA -0.125 45.075 45.100 0.167 0.000 0.838 287 G HN 0.802 nan 8.290 nan 0.000 0.566 288 H N 1.320 120.503 119.070 0.188 0.000 2.363 288 H HA 0.107 4.668 4.556 0.008 0.000 0.301 288 H C 2.000 177.421 175.328 0.155 0.000 1.074 288 H CA 0.747 56.892 56.048 0.162 0.000 1.354 288 H CB -0.510 29.358 29.762 0.176 0.000 1.397 288 H HN 0.555 nan 8.280 nan 0.000 0.516 289 A N 1.670 124.659 122.820 0.283 0.000 2.425 289 A HA 0.104 4.428 4.320 0.007 0.000 0.249 289 A C 0.316 177.965 177.584 0.108 0.000 1.084 289 A CA -0.385 51.767 52.037 0.191 0.000 0.781 289 A CB 0.228 19.333 19.000 0.175 0.000 1.019 289 A HN 0.339 nan 8.150 nan 0.000 0.490 290 E N 1.069 121.311 120.200 0.070 0.000 2.442 290 E HA -0.018 4.337 4.350 0.007 0.000 0.262 290 E C 0.590 177.175 176.600 -0.024 0.000 1.004 290 E CA 0.014 56.426 56.400 0.019 0.000 0.928 290 E CB 0.645 30.347 29.700 0.004 0.000 0.937 290 E HN 0.637 nan 8.360 nan 0.000 0.446 291 K N 1.796 122.166 120.400 -0.050 0.000 2.063 291 K HA -0.166 4.158 4.320 0.007 0.000 0.208 291 K C 1.879 178.407 176.600 -0.119 0.000 1.048 291 K CA 1.339 57.559 56.287 -0.111 0.000 0.928 291 K CB -0.181 32.262 32.500 -0.094 0.000 0.713 291 K HN 0.658 nan 8.250 nan 0.000 0.442 292 G N -0.129 108.620 108.800 -0.085 0.000 2.559 292 G HA2 -0.136 3.828 3.960 0.007 0.000 0.216 292 G HA3 -0.136 3.828 3.960 0.007 0.000 0.216 292 G C 1.077 175.925 174.900 -0.086 0.000 1.126 292 G CA 0.466 45.513 45.100 -0.088 0.000 0.778 292 G HN 0.151 nan 8.290 nan 0.000 0.543 293 S N -0.525 115.135 115.700 -0.067 0.000 2.629 293 S HA 0.260 4.734 4.470 0.007 0.000 0.236 293 S C 0.806 175.403 174.600 -0.004 0.000 1.010 293 S CA -0.665 57.511 58.200 -0.040 0.000 0.981 293 S CB 0.573 63.761 63.200 -0.020 0.000 0.919 293 S HN 0.310 nan 8.310 nan 0.000 0.514 294 R N 2.380 122.846 120.500 -0.058 0.000 2.538 294 R HA 0.137 4.482 4.340 0.007 0.000 0.282 294 R C 0.432 176.774 176.300 0.071 0.000 1.009 294 R CA 0.147 56.218 56.100 -0.049 0.000 1.063 294 R CB 0.347 30.379 30.300 -0.447 0.000 0.945 294 R HN 0.142 nan 8.270 nan 0.000 0.414 295 S N 2.610 118.434 115.700 0.207 0.000 2.564 295 S HA 0.095 4.570 4.470 0.007 0.000 0.278 295 S C 1.240 176.013 174.600 0.289 0.000 1.333 295 S CA -0.620 57.718 58.200 0.229 0.000 1.048 295 S CB 0.553 63.895 63.200 0.236 0.000 0.900 295 S HN 0.566 nan 8.310 nan 0.000 0.505 296 L N 4.128 125.485 121.223 0.222 0.000 2.558 296 L HA 0.102 4.446 4.340 0.007 0.000 0.225 296 L C 1.714 178.683 176.870 0.165 0.000 1.128 296 L CA 0.173 55.138 54.840 0.209 0.000 0.868 296 L CB -0.217 41.940 42.059 0.163 0.000 1.006 296 L HN 0.662 nan 8.230 nan 0.000 0.454 297 M N -1.033 118.668 119.600 0.169 0.000 2.730 297 M HA 0.166 4.650 4.480 0.007 0.000 0.258 297 M C -0.200 176.107 176.300 0.012 0.000 1.279 297 M CA 0.697 56.082 55.300 0.141 0.000 1.183 297 M CB -0.055 32.715 32.600 0.283 0.000 1.291 297 M HN 0.111 nan 8.290 nan 0.000 0.518 298 N N 0.157 118.909 118.700 0.086 0.000 2.519 298 N HA 0.380 5.124 4.740 0.007 0.000 0.286 298 N C -1.250 174.315 175.510 0.091 0.000 1.079 298 N CA -0.189 52.893 53.050 0.054 0.000 0.878 298 N CB 2.738 41.297 38.487 0.121 0.000 1.375 298 N HN -0.216 nan 8.380 nan 0.000 0.514 299 V N 1.744 121.672 119.914 0.024 0.000 2.333 299 V HA 0.462 4.586 4.120 0.007 0.000 0.274 299 V C 0.154 176.295 176.094 0.078 0.000 1.028 299 V CA -0.548 61.748 62.300 -0.006 0.000 0.851 299 V CB 0.671 32.323 31.823 -0.284 0.000 1.000 299 V HN 0.768 nan 8.190 nan 0.000 0.456 300 T N 3.149 117.751 114.554 0.080 0.000 2.824 300 T HA 0.871 5.225 4.350 0.007 0.000 0.280 300 T C -0.743 173.764 174.700 -0.323 0.000 0.995 300 T CA -0.538 61.492 62.100 -0.117 0.000 1.009 300 T CB 1.409 70.276 68.868 -0.003 0.000 0.955 300 T HN 0.633 nan 8.240 nan 0.000 0.452 301 F N 0.169 119.716 119.950 -0.670 0.000 2.741 301 F HA 0.770 5.301 4.527 0.007 0.000 0.311 301 F C -1.498 174.145 175.800 -0.262 0.000 1.149 301 F CA -1.376 56.312 58.000 -0.520 0.000 0.930 301 F CB 1.135 39.987 39.000 -0.247 0.000 1.312 301 F HN 0.797 nan 8.300 nan 0.000 0.450 302 N N 0.430 119.201 118.700 0.118 0.000 2.357 302 N HA 0.706 5.451 4.740 0.007 0.000 0.284 302 N C -1.949 173.635 175.510 0.122 0.000 1.236 302 N CA -0.862 52.242 53.050 0.089 0.000 0.774 302 N CB 2.093 40.660 38.487 0.133 0.000 1.534 302 N HN 0.659 nan 8.380 nan 0.000 0.478 303 L N 0.237 121.455 121.223 -0.008 0.000 2.567 303 L HA 0.480 4.824 4.340 0.007 0.000 0.238 303 L C 1.909 178.664 176.870 -0.192 0.000 1.168 303 L CA -0.508 54.207 54.840 -0.209 0.000 0.817 303 L CB 0.338 42.221 42.059 -0.294 0.000 1.409 303 L HN 0.613 nan 8.230 nan 0.000 0.502 304 R N -0.285 120.035 120.500 -0.299 0.000 2.193 304 R HA 0.008 4.352 4.340 0.007 0.000 0.213 304 R C -0.484 175.754 176.300 -0.104 0.000 1.055 304 R CA 0.685 56.677 56.100 -0.181 0.000 0.995 304 R CB -0.276 29.902 30.300 -0.204 0.000 0.893 304 R HN 0.827 nan 8.270 nan 0.000 0.459 305 N N -2.169 116.475 118.700 -0.094 0.000 2.825 305 N HA -0.013 4.731 4.740 0.007 0.000 0.253 305 N C -0.079 175.414 175.510 -0.028 0.000 1.426 305 N CA -0.711 52.311 53.050 -0.047 0.000 0.851 305 N CB 0.805 39.271 38.487 -0.035 0.000 1.470 305 N HN -0.317 nan 8.380 nan 0.000 0.517 306 E N 0.081 120.274 120.200 -0.011 0.000 2.152 306 E HA -0.164 4.190 4.350 0.007 0.000 0.192 306 E C 1.246 177.855 176.600 0.015 0.000 0.983 306 E CA 1.536 57.936 56.400 -0.000 0.000 0.818 306 E CB -0.036 29.663 29.700 -0.000 0.000 0.758 306 E HN 0.734 nan 8.360 nan 0.000 0.467 307 E N -0.111 120.101 120.200 0.020 0.000 2.085 307 E HA -0.189 4.165 4.350 0.007 0.000 0.194 307 E C 2.033 178.679 176.600 0.075 0.000 0.994 307 E CA 1.328 57.753 56.400 0.042 0.000 0.801 307 E CB -0.178 29.544 29.700 0.037 0.000 0.743 307 E HN 0.357 nan 8.360 nan 0.000 0.453 308 L N 0.824 122.088 121.223 0.067 0.000 2.093 308 L HA -0.178 4.166 4.340 0.007 0.000 0.208 308 L C 2.397 179.343 176.870 0.126 0.000 1.085 308 L CA 0.748 55.668 54.840 0.133 0.000 0.755 308 L CB -0.483 41.595 42.059 0.032 0.000 0.904 308 L HN 0.205 nan 8.230 nan 0.000 0.435 309 N N -0.319 118.411 118.700 0.049 0.000 2.069 309 N HA -0.208 4.536 4.740 0.007 0.000 0.191 309 N C 1.906 177.460 175.510 0.072 0.000 1.031 309 N CA 1.213 54.293 53.050 0.050 0.000 0.852 309 N CB -0.191 38.300 38.487 0.007 0.000 1.018 309 N HN 0.302 nan 8.380 nan 0.000 0.423 310 Q N 0.907 120.740 119.800 0.055 0.000 2.084 310 Q HA -0.080 4.265 4.340 0.007 0.000 0.202 310 Q C 2.020 178.054 176.000 0.055 0.000 0.978 310 Q CA 1.117 56.944 55.803 0.040 0.000 0.844 310 Q CB -0.312 28.447 28.738 0.034 0.000 0.898 310 Q HN 0.571 nan 8.270 nan 0.000 0.426 311 Q N -0.545 119.328 119.800 0.122 0.000 2.084 311 Q HA -0.142 4.202 4.340 0.007 0.000 0.202 311 Q C 1.869 177.920 176.000 0.085 0.000 0.978 311 Q CA 1.309 57.229 55.803 0.195 0.000 0.844 311 Q CB -0.269 28.693 28.738 0.374 0.000 0.898 311 Q HN 0.289 nan 8.270 nan 0.000 0.426 312 F N 1.092 120.868 119.950 -0.289 0.000 2.102 312 F HA -0.183 4.349 4.527 0.008 0.000 0.298 312 F C 1.698 177.286 175.800 -0.354 0.000 1.105 312 F CA 1.283 58.813 58.000 -0.785 0.000 1.239 312 F CB -0.128 38.417 39.000 -0.758 0.000 0.991 312 F HN -0.039 nan 8.300 nan 0.000 0.474 313 L N -0.151 120.906 121.223 -0.277 0.000 2.093 313 L HA -0.155 4.189 4.340 0.007 0.000 0.208 313 L C 2.781 179.510 176.870 -0.236 0.000 1.085 313 L CA 1.027 55.687 54.840 -0.300 0.000 0.755 313 L CB -1.093 40.906 42.059 -0.100 0.000 0.904 313 L HN 0.275 nan 8.230 nan 0.000 0.435 314 A N 0.120 122.861 122.820 -0.131 0.000 1.902 314 A HA -0.251 4.074 4.320 0.007 0.000 0.217 314 A C 2.298 179.842 177.584 -0.066 0.000 1.181 314 A CA 1.948 53.949 52.037 -0.060 0.000 0.623 314 A CB -0.362 18.640 19.000 0.003 0.000 0.818 314 A HN 0.217 nan 8.150 nan 0.000 0.443 315 K N 0.208 120.546 120.400 -0.103 0.000 2.057 315 K HA 0.010 4.335 4.320 0.007 0.000 0.207 315 K C 2.022 178.550 176.600 -0.120 0.000 1.049 315 K CA 1.631 57.885 56.287 -0.055 0.000 0.931 315 K CB -0.597 31.927 32.500 0.039 0.000 0.714 315 K HN 0.318 nan 8.250 nan 0.000 0.440 316 A N 1.007 123.605 122.820 -0.370 0.000 1.883 316 A HA -0.235 4.090 4.320 0.007 0.000 0.217 316 A C 2.163 179.794 177.584 0.077 0.000 1.186 316 A CA 2.073 53.935 52.037 -0.291 0.000 0.624 316 A CB -0.641 17.948 19.000 -0.684 0.000 0.822 316 A HN 0.415 nan 8.150 nan 0.000 0.444 317 K N -0.379 120.019 120.400 -0.002 0.000 2.057 317 K HA -0.213 4.111 4.320 0.007 0.000 0.207 317 K C 2.115 178.764 176.600 0.083 0.000 1.049 317 K CA 1.672 57.998 56.287 0.064 0.000 0.931 317 K CB -0.195 32.315 32.500 0.017 0.000 0.714 317 K HN 0.645 nan 8.250 nan 0.000 0.440 318 E N 0.043 120.280 120.200 0.062 0.000 2.118 318 E HA -0.206 4.149 4.350 0.007 0.000 0.195 318 E C 1.248 177.909 176.600 0.102 0.000 0.992 318 E CA 1.070 57.511 56.400 0.069 0.000 0.804 318 E CB 0.217 29.953 29.700 0.061 0.000 0.741 318 E HN 0.300 nan 8.360 nan 0.000 0.458 319 Q N -0.923 118.981 119.800 0.174 0.000 2.280 319 Q HA 0.105 4.449 4.340 0.007 0.000 0.202 319 Q C 0.896 177.030 176.000 0.222 0.000 0.903 319 Q CA 0.743 56.691 55.803 0.241 0.000 0.948 319 Q CB 1.198 30.153 28.738 0.362 0.000 1.058 319 Q HN 0.492 nan 8.270 nan 0.000 0.493 320 G N 0.469 109.356 108.800 0.145 0.000 2.176 320 G HA2 -0.241 3.723 3.960 0.007 0.000 0.232 320 G HA3 -0.241 3.723 3.960 0.007 0.000 0.232 320 G C -0.212 174.682 174.900 -0.010 0.000 0.986 320 G CA -0.501 44.591 45.100 -0.014 0.000 0.643 320 G HN 0.265 nan 8.290 nan 0.000 0.522 321 F N 0.668 120.753 119.950 0.225 0.000 2.456 321 F HA 0.561 5.092 4.527 0.008 0.000 0.358 321 F C 0.780 176.673 175.800 0.156 0.000 1.095 321 F CA -0.494 57.669 58.000 0.272 0.000 1.216 321 F CB 1.624 40.712 39.000 0.147 0.000 1.125 321 F HN -0.025 nan 8.300 nan 0.000 0.549 322 V N 2.211 122.324 119.914 0.331 0.000 2.495 322 V HA 0.662 4.786 4.120 0.007 0.000 0.298 322 V C 0.508 176.747 176.094 0.242 0.000 1.031 322 V CA -0.295 62.129 62.300 0.206 0.000 0.871 322 V CB 1.010 32.906 31.823 0.121 0.000 0.988 322 V HN 0.988 nan 8.190 nan 0.000 0.432 323 G N 3.474 112.370 108.800 0.160 0.000 2.175 323 G HA2 -0.212 3.753 3.960 0.007 0.000 0.244 323 G HA3 -0.212 3.753 3.960 0.007 0.000 0.244 323 G C 0.544 175.511 174.900 0.111 0.000 0.982 323 G CA 0.296 45.481 45.100 0.143 0.000 0.641 323 G HN 0.627 nan 8.290 nan 0.000 0.527 324 L N 0.372 121.639 121.223 0.073 0.000 2.465 324 L HA 0.116 4.460 4.340 0.007 0.000 0.224 324 L C 1.065 177.898 176.870 -0.060 0.000 1.145 324 L CA 0.051 54.878 54.840 -0.022 0.000 0.834 324 L CB -0.400 41.602 42.059 -0.095 0.000 0.944 324 L HN 0.167 nan 8.230 nan 0.000 0.451 325 N N 1.464 120.145 118.700 -0.032 0.000 2.454 325 N HA 0.063 4.808 4.740 0.007 0.000 0.260 325 N C 0.526 176.013 175.510 -0.039 0.000 1.218 325 N CA 0.359 53.381 53.050 -0.045 0.000 0.904 325 N CB 0.620 39.091 38.487 -0.027 0.000 1.065 325 N HN 0.071 nan 8.380 nan 0.000 0.462 326 G N 0.664 109.429 108.800 -0.058 0.000 2.664 326 G HA2 -0.068 3.896 3.960 0.007 0.000 0.242 326 G HA3 -0.068 3.896 3.960 0.007 0.000 0.242 326 G C 0.059 174.973 174.900 0.023 0.000 1.225 326 G CA -0.280 44.809 45.100 -0.019 0.000 0.849 326 G HN 0.670 nan 8.290 nan 0.000 0.581 327 H N 0.778 119.829 119.070 -0.032 0.000 2.972 327 H HA -0.056 4.504 4.556 0.007 0.000 0.343 327 H C 2.055 177.355 175.328 -0.045 0.000 1.054 327 H CA 0.627 56.658 56.048 -0.028 0.000 1.412 327 H CB 0.681 30.412 29.762 -0.051 0.000 1.385 327 H HN 0.693 nan 8.280 nan 0.000 0.600 328 R N 1.799 122.047 120.500 -0.419 0.000 2.139 328 R HA -0.164 4.181 4.340 0.007 0.000 0.243 328 R C 1.847 178.118 176.300 -0.049 0.000 1.145 328 R CA 1.847 57.817 56.100 -0.216 0.000 0.976 328 R CB -0.444 29.700 30.300 -0.259 0.000 0.866 328 R HN 0.520 nan 8.270 nan 0.000 0.449 329 S N 0.464 116.247 115.700 0.139 0.000 2.481 329 S HA -0.039 4.436 4.470 0.007 0.000 0.231 329 S C 1.892 176.527 174.600 0.059 0.000 0.996 329 S CA 0.586 58.872 58.200 0.142 0.000 0.942 329 S CB 0.231 63.561 63.200 0.216 0.000 0.768 329 S HN 0.411 nan 8.310 nan 0.000 0.520 330 V N -3.198 116.733 119.914 0.028 0.000 3.562 330 V HA 0.647 4.771 4.120 0.007 0.000 0.270 330 V C 1.255 177.333 176.094 -0.026 0.000 1.418 330 V CA 0.089 62.363 62.300 -0.043 0.000 1.033 330 V CB -0.792 30.928 31.823 -0.172 0.000 0.820 330 V HN 0.829 nan 8.190 nan 0.000 0.441 331 G N 0.491 109.287 108.800 -0.006 0.000 2.598 331 G HA2 0.258 4.222 3.960 0.007 0.000 0.244 331 G HA3 0.258 4.222 3.960 0.007 0.000 0.244 331 G C 0.962 175.871 174.900 0.014 0.000 1.302 331 G CA 0.214 45.309 45.100 -0.007 0.000 0.903 331 G HN 2.298 nan 8.290 nan 0.000 0.575 332 G N -1.875 106.927 108.800 0.002 0.000 2.582 332 G HA2 0.062 4.027 3.960 0.007 0.000 0.288 332 G HA3 0.062 4.027 3.960 0.007 0.000 0.288 332 G C 0.553 175.355 174.900 -0.163 0.000 1.247 332 G CA 1.237 46.316 45.100 -0.036 0.000 0.972 332 G HN 2.328 nan 8.290 nan 0.000 0.557 333 C N -0.647 118.416 119.300 -0.396 0.000 2.707 333 C HA 0.919 5.384 4.460 0.007 0.000 0.313 333 C C 0.357 175.024 174.990 -0.537 0.000 1.209 333 C CA -0.513 58.148 59.018 -0.594 0.000 1.635 333 C CB 1.815 28.800 27.740 -1.257 0.000 2.206 333 C HN 0.994 nan 8.230 nan 0.000 0.485 334 R N 1.172 121.486 120.500 -0.310 0.000 2.510 334 R HA 0.600 4.945 4.340 0.007 0.000 0.294 334 R C -1.128 175.130 176.300 -0.069 0.000 1.056 334 R CA -0.076 55.942 56.100 -0.137 0.000 0.918 334 R CB 1.020 31.303 30.300 -0.029 0.000 1.187 334 R HN 0.948 nan 8.270 nan 0.000 0.437 335 A N 3.229 126.035 122.820 -0.022 0.000 2.294 335 A HA 0.403 4.728 4.320 0.007 0.000 0.316 335 A C -0.553 177.070 177.584 0.064 0.000 1.359 335 A CA -0.416 51.608 52.037 -0.022 0.000 0.956 335 A CB 0.914 19.829 19.000 -0.141 0.000 1.155 335 A HN 0.650 nan 8.150 nan 0.000 0.544 336 S N 2.154 117.910 115.700 0.093 0.000 2.465 336 S HA 0.433 4.908 4.470 0.007 0.000 0.279 336 S C 0.446 174.930 174.600 -0.193 0.000 1.201 336 S CA -0.303 57.765 58.200 -0.219 0.000 1.053 336 S CB 0.123 63.097 63.200 -0.377 0.000 0.953 336 S HN 0.761 nan 8.310 nan 0.000 0.488 337 I N 0.065 120.463 120.570 -0.287 0.000 3.061 337 I HA 0.410 4.585 4.170 0.007 0.000 0.341 337 I C -0.595 175.497 176.117 -0.041 0.000 1.457 337 I CA -0.864 60.385 61.300 -0.085 0.000 0.921 337 I CB -0.265 37.767 38.000 0.054 0.000 1.845 337 I HN 0.435 nan 8.210 nan 0.000 0.535 338 Y N 0.704 121.048 120.300 0.074 0.000 2.379 338 Y HA 0.057 4.611 4.550 0.007 0.000 0.354 338 Y C 1.754 177.695 175.900 0.067 0.000 1.269 338 Y CA -0.331 57.807 58.100 0.063 0.000 1.532 338 Y CB 0.122 38.604 38.460 0.037 0.000 1.371 338 Y HN 0.266 nan 8.280 nan 0.000 0.666 339 N N 0.786 119.651 118.700 0.275 0.000 2.069 339 N HA -0.246 4.498 4.740 0.007 0.000 0.196 339 N C 1.550 177.227 175.510 0.278 0.000 1.024 339 N CA 1.808 55.017 53.050 0.265 0.000 0.869 339 N CB -0.650 38.023 38.487 0.310 0.000 1.035 339 N HN 0.718 nan 8.380 nan 0.000 0.434 340 A N 0.401 123.294 122.820 0.121 0.000 2.208 340 A HA 0.156 4.481 4.320 0.007 0.000 0.209 340 A C 0.608 178.173 177.584 -0.033 0.000 1.161 340 A CA -0.126 51.868 52.037 -0.072 0.000 0.782 340 A CB 0.089 18.892 19.000 -0.328 0.000 0.816 340 A HN 0.036 nan 8.150 nan 0.000 0.477 341 V N 3.391 123.307 119.914 0.003 0.000 2.485 341 V HA 0.139 4.264 4.120 0.007 0.000 0.287 341 V C -1.989 174.089 176.094 -0.027 0.000 1.022 341 V CA -1.162 61.085 62.300 -0.088 0.000 1.067 341 V CB 0.597 32.321 31.823 -0.165 0.000 0.967 341 V HN 0.343 nan 8.190 nan 0.000 0.479 342 P HA 0.245 nan 4.420 nan 0.000 0.277 342 P C 1.076 178.400 177.300 0.039 0.000 1.240 342 P CA -0.406 62.716 63.100 0.037 0.000 0.798 342 P CB 1.479 33.203 31.700 0.040 0.000 0.979 343 I N 1.043 121.651 120.570 0.064 0.000 2.264 343 I HA -0.273 3.902 4.170 0.007 0.000 0.248 343 I C 1.218 177.372 176.117 0.062 0.000 1.111 343 I CA 1.791 63.127 61.300 0.061 0.000 1.382 343 I CB -0.135 37.899 38.000 0.057 0.000 1.060 343 I HN 0.210 nan 8.210 nan 0.000 0.418 344 D N 0.963 121.404 120.400 0.068 0.000 2.218 344 D HA -0.136 4.509 4.640 0.007 0.000 0.204 344 D C 2.170 178.515 176.300 0.075 0.000 0.976 344 D CA 1.276 55.323 54.000 0.077 0.000 0.853 344 D CB -0.077 40.782 40.800 0.100 0.000 0.939 344 D HN 0.517 nan 8.370 nan 0.000 0.481 345 A N -0.016 122.858 122.820 0.089 0.000 1.930 345 A HA -0.147 4.177 4.320 0.007 0.000 0.217 345 A C 2.463 180.164 177.584 0.195 0.000 1.175 345 A CA 0.987 53.069 52.037 0.075 0.000 0.627 345 A CB -0.740 18.248 19.000 -0.020 0.000 0.815 345 A HN 0.342 nan 8.150 nan 0.000 0.443 346 C N -0.592 118.827 119.300 0.199 0.000 2.446 346 C HA -0.029 4.435 4.460 0.007 0.000 0.277 346 C C 2.530 177.568 174.990 0.080 0.000 1.275 346 C CA 0.770 59.921 59.018 0.220 0.000 1.727 346 C CB -1.328 26.495 27.740 0.139 0.000 2.010 346 C HN 0.624 nan 8.230 nan 0.000 0.486 347 I N 1.719 122.315 120.570 0.043 0.000 2.163 347 I HA -0.251 3.924 4.170 0.007 0.000 0.243 347 I C 2.797 178.905 176.117 -0.015 0.000 1.085 347 I CA 1.773 63.078 61.300 0.009 0.000 1.347 347 I CB -0.620 37.392 38.000 0.019 0.000 1.044 347 I HN 0.288 nan 8.210 nan 0.000 0.408 348 A N 0.629 123.410 122.820 -0.065 0.000 1.902 348 A HA -0.224 4.100 4.320 0.007 0.000 0.217 348 A C 2.255 179.855 177.584 0.027 0.000 1.181 348 A CA 1.614 53.573 52.037 -0.129 0.000 0.623 348 A CB -0.797 17.766 19.000 -0.729 0.000 0.818 348 A HN 0.396 nan 8.150 nan 0.000 0.443 349 L N 0.126 121.383 121.223 0.056 0.000 2.017 349 L HA -0.141 4.203 4.340 0.007 0.000 0.208 349 L C 2.460 179.209 176.870 -0.202 0.000 1.073 349 L CA 2.526 57.251 54.840 -0.190 0.000 0.745 349 L CB -0.713 41.208 42.059 -0.231 0.000 0.894 349 L HN 0.515 nan 8.230 nan 0.000 0.432 350 R N -0.604 119.815 120.500 -0.135 0.000 2.094 350 R HA -0.200 4.144 4.340 0.007 0.000 0.239 350 R C 2.050 178.302 176.300 -0.080 0.000 1.137 350 R CA 1.912 57.931 56.100 -0.135 0.000 0.943 350 R CB -0.302 29.944 30.300 -0.090 0.000 0.850 350 R HN 0.422 nan 8.270 nan 0.000 0.433 351 E N 0.750 120.928 120.200 -0.036 0.000 2.110 351 E HA -0.202 4.152 4.350 0.007 0.000 0.193 351 E C 2.024 178.641 176.600 0.028 0.000 0.988 351 E CA 0.987 57.390 56.400 0.005 0.000 0.804 351 E CB -0.377 29.338 29.700 0.025 0.000 0.745 351 E HN 0.346 nan 8.360 nan 0.000 0.458 352 L N 0.358 121.588 121.223 0.011 0.000 2.017 352 L HA -0.122 4.222 4.340 0.007 0.000 0.208 352 L C 2.360 179.312 176.870 0.135 0.000 1.073 352 L CA 1.542 56.403 54.840 0.034 0.000 0.745 352 L CB -0.320 41.630 42.059 -0.182 0.000 0.894 352 L HN 0.048 nan 8.230 nan 0.000 0.432 353 M N -0.974 118.666 119.600 0.066 0.000 2.117 353 M HA -0.229 4.256 4.480 0.007 0.000 0.262 353 M C 2.223 178.645 176.300 0.202 0.000 1.065 353 M CA 1.938 57.301 55.300 0.106 0.000 1.114 353 M CB -0.392 31.979 32.600 -0.381 0.000 1.361 353 M HN 0.287 nan 8.290 nan 0.000 0.408 354 I N -0.398 120.217 120.570 0.076 0.000 2.252 354 I HA -0.298 3.876 4.170 0.007 0.000 0.245 354 I C 2.699 178.839 176.117 0.039 0.000 1.102 354 I CA 1.346 62.673 61.300 0.045 0.000 1.385 354 I CB -0.552 37.452 38.000 0.007 0.000 1.064 354 I HN 0.442 nan 8.210 nan 0.000 0.414 355 Q N 0.822 120.668 119.800 0.077 0.000 2.084 355 Q HA -0.264 4.081 4.340 0.007 0.000 0.202 355 Q C 2.321 178.371 176.000 0.083 0.000 0.978 355 Q CA 1.882 57.725 55.803 0.068 0.000 0.844 355 Q CB -0.187 28.605 28.738 0.091 0.000 0.898 355 Q HN 0.454 nan 8.270 nan 0.000 0.426 356 F N 1.501 121.495 119.950 0.073 0.000 2.134 356 F HA -0.172 4.358 4.527 0.006 0.000 0.299 356 F C 2.387 178.159 175.800 -0.047 0.000 1.097 356 F CA 1.883 59.957 58.000 0.125 0.000 1.264 356 F CB -0.086 39.138 39.000 0.372 0.000 1.001 356 F HN -0.009 nan 8.300 nan 0.000 0.479 357 K N 0.446 120.742 120.400 -0.173 0.000 2.057 357 K HA -0.214 4.110 4.320 0.007 0.000 0.207 357 K C 1.927 178.226 176.600 -0.501 0.000 1.049 357 K CA 1.963 57.739 56.287 -0.851 0.000 0.931 357 K CB -0.289 31.635 32.500 -0.960 0.000 0.714 357 K HN 0.358 nan 8.250 nan 0.000 0.440 358 E N 0.167 120.207 120.200 -0.267 0.000 2.153 358 E HA -0.160 4.194 4.350 0.007 0.000 0.194 358 E C 1.209 177.706 176.600 -0.171 0.000 0.988 358 E CA 1.320 57.612 56.400 -0.179 0.000 0.811 358 E CB -0.063 29.576 29.700 -0.101 0.000 0.746 358 E HN 0.477 nan 8.360 nan 0.000 0.466 359 N N -0.042 118.536 118.700 -0.203 0.000 2.336 359 N HA 0.124 4.869 4.740 0.007 0.000 0.189 359 N C 0.133 175.502 175.510 -0.235 0.000 1.113 359 N CA -0.438 52.501 53.050 -0.185 0.000 0.858 359 N CB 0.534 38.921 38.487 -0.167 0.000 0.970 359 N HN 0.013 nan 8.380 nan 0.000 0.471 360 A N 0.000 122.649 122.820 -0.285 0.000 2.254 360 A HA 0.000 4.324 4.320 0.007 0.000 0.244 360 A CA 0.000 51.915 52.037 -0.203 0.000 0.836 360 A CB 0.000 18.968 19.000 -0.053 0.000 0.831 360 A HN 0.000 nan 8.150 nan 0.000 0.486