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 2bia_1_A 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 DLLNTKVEQV 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 62.269 62.300 -0.052 0.000 1.235 1 V CB 0.000 31.788 31.823 -0.058 0.000 1.184 2 K N 1.550 121.907 120.400 -0.071 0.000 2.156 2 K HA 0.344 4.663 4.320 -0.001 0.000 0.242 2 K C 0.136 176.639 176.600 -0.162 0.000 1.033 2 K CA 0.395 56.631 56.287 -0.085 0.000 0.878 2 K CB 0.648 33.112 32.500 -0.061 0.000 1.057 2 K HN 1.215 nan 8.250 nan 0.000 0.505 3 Q N -0.010 119.662 119.800 -0.213 0.000 2.340 3 Q HA 0.369 4.708 4.340 -0.001 0.000 0.249 3 Q C -0.818 174.794 176.000 -0.647 0.000 0.957 3 Q CA -0.802 54.718 55.803 -0.473 0.000 0.882 3 Q CB 1.091 29.532 28.738 -0.495 0.000 1.235 3 Q HN 0.295 nan 8.270 nan 0.000 0.439 4 V N 3.215 122.636 119.914 -0.820 0.000 2.531 4 V HA 0.451 4.570 4.120 -0.001 0.000 0.301 4 V C -1.235 174.336 176.094 -0.871 0.000 1.034 4 V CA -0.673 61.224 62.300 -0.670 0.000 0.865 4 V CB 1.192 32.817 31.823 -0.331 0.000 0.995 4 V HN 0.689 nan 8.190 nan 0.000 0.424 5 F N 3.112 122.891 119.950 -0.284 0.000 2.460 5 F HA 0.477 5.004 4.527 -0.001 0.000 0.341 5 F C 0.366 176.080 175.800 -0.143 0.000 1.130 5 F CA -0.639 57.193 58.000 -0.279 0.000 0.962 5 F CB 1.423 40.179 39.000 -0.406 0.000 1.171 5 F HN 0.391 nan 8.300 nan 0.000 0.436 6 N N 3.748 122.371 118.700 -0.128 0.000 2.645 6 N HA 0.203 4.943 4.740 -0.001 0.000 0.233 6 N C -0.639 174.768 175.510 -0.172 0.000 1.058 6 N CA -0.299 52.702 53.050 -0.082 0.000 0.942 6 N CB -0.010 38.421 38.487 -0.093 0.000 1.210 6 N HN 0.480 nan 8.380 nan 0.000 0.512 7 F N 0.876 120.905 119.950 0.131 0.000 2.730 7 F HA 0.297 4.823 4.527 -0.001 0.000 0.295 7 F C 0.777 176.636 175.800 0.099 0.000 1.143 7 F CA -0.713 57.354 58.000 0.112 0.000 1.367 7 F CB -0.092 38.990 39.000 0.137 0.000 0.970 7 F HN 0.225 nan 8.300 nan 0.000 0.514 8 N N 0.799 119.625 118.700 0.211 0.000 2.407 8 N HA 0.042 4.782 4.740 -0.001 0.000 0.250 8 N C 1.072 176.740 175.510 0.263 0.000 1.236 8 N CA 0.424 53.592 53.050 0.195 0.000 0.879 8 N CB 1.232 39.800 38.487 0.136 0.000 1.088 8 N HN 0.268 nan 8.380 nan 0.000 0.450 9 A N 0.939 123.912 122.820 0.255 0.000 2.218 9 A HA 0.368 4.687 4.320 -0.001 0.000 0.209 9 A C 0.776 178.576 177.584 0.359 0.000 1.168 9 A CA 0.791 53.039 52.037 0.352 0.000 0.804 9 A CB -0.171 18.989 19.000 0.266 0.000 0.834 9 A HN 0.730 nan 8.150 nan 0.000 0.482 10 G N 0.203 109.128 108.800 0.209 0.000 1.956 10 G HA2 0.378 4.337 3.960 -0.001 0.000 0.189 10 G HA3 0.378 4.337 3.960 -0.001 0.000 0.189 10 G C -3.052 171.885 174.900 0.062 0.000 1.568 10 G CA -0.784 44.366 45.100 0.084 0.000 1.002 10 G HN 0.091 nan 8.290 nan 0.000 0.653 11 P HA 0.533 nan 4.420 nan 0.000 0.271 11 P C 0.391 177.710 177.300 0.031 0.000 1.238 11 P CA 0.020 63.116 63.100 -0.006 0.000 0.794 11 P CB 0.864 32.558 31.700 -0.009 0.000 0.959 12 S N -1.450 114.253 115.700 0.005 0.000 2.776 12 S HA 0.753 5.222 4.470 -0.001 0.000 0.292 12 S C -0.787 173.818 174.600 0.008 0.000 1.187 12 S CA -0.855 57.384 58.200 0.065 0.000 0.834 12 S CB 0.747 64.047 63.200 0.166 0.000 1.199 12 S HN 0.537 nan 8.310 nan 0.000 0.514 13 A N 0.372 123.203 122.820 0.017 0.000 2.565 13 A HA 0.496 4.815 4.320 -0.001 0.000 0.237 13 A C -0.528 176.992 177.584 -0.106 0.000 1.053 13 A CA 0.157 52.161 52.037 -0.056 0.000 0.755 13 A CB -0.725 18.230 19.000 -0.075 0.000 0.980 13 A HN 0.633 nan 8.150 nan 0.000 0.506 14 L N 3.209 124.338 121.223 -0.156 0.000 2.334 14 L HA 0.563 4.902 4.340 -0.001 0.000 0.270 14 L C -1.964 174.686 176.870 -0.367 0.000 1.018 14 L CA -1.989 52.708 54.840 -0.239 0.000 0.811 14 L CB 1.197 43.140 42.059 -0.194 0.000 1.271 14 L HN 0.489 nan 8.230 nan 0.000 0.443 15 P HA 0.137 nan 4.420 nan 0.000 0.276 15 P C 0.135 177.133 177.300 -0.503 0.000 1.243 15 P CA -0.438 62.145 63.100 -0.862 0.000 0.768 15 P CB 0.812 31.333 31.700 -1.965 0.000 0.856 16 K N 4.241 124.444 120.400 -0.328 0.000 2.077 16 K HA -0.159 4.161 4.320 -0.001 0.000 0.213 16 K C -0.800 175.710 176.600 -0.149 0.000 1.051 16 K CA 2.134 58.310 56.287 -0.186 0.000 0.929 16 K CB -2.094 30.335 32.500 -0.118 0.000 0.715 16 K HN 0.429 nan 8.250 nan 0.000 0.451 17 P HA -0.095 nan 4.420 nan 0.000 0.218 17 P C 1.032 178.290 177.300 -0.071 0.000 1.148 17 P CA 1.603 64.671 63.100 -0.053 0.000 0.822 17 P CB -0.063 31.660 31.700 0.038 0.000 0.784 18 A N -0.646 122.082 122.820 -0.154 0.000 1.930 18 A HA -0.130 4.190 4.320 -0.001 0.000 0.217 18 A C 2.199 179.721 177.584 -0.104 0.000 1.175 18 A CA 1.285 53.236 52.037 -0.143 0.000 0.627 18 A CB -1.569 17.307 19.000 -0.208 0.000 0.815 18 A HN 0.129 nan 8.150 nan 0.000 0.443 19 L N -0.926 120.237 121.223 -0.100 0.000 2.109 19 L HA -0.144 4.195 4.340 -0.001 0.000 0.207 19 L C 2.542 179.418 176.870 0.009 0.000 1.086 19 L CA 1.296 56.115 54.840 -0.035 0.000 0.760 19 L CB -0.400 41.629 42.059 -0.051 0.000 0.910 19 L HN 0.463 nan 8.230 nan 0.000 0.437 20 E N -0.330 119.865 120.200 -0.008 0.000 2.107 20 E HA -0.225 4.124 4.350 -0.001 0.000 0.191 20 E C 2.221 178.850 176.600 0.049 0.000 0.982 20 E CA 0.674 57.084 56.400 0.016 0.000 0.809 20 E CB 0.003 29.705 29.700 0.004 0.000 0.756 20 E HN 0.303 nan 8.360 nan 0.000 0.459 21 R N 0.884 121.412 120.500 0.047 0.000 2.073 21 R HA -0.125 4.214 4.340 -0.001 0.000 0.234 21 R C 2.267 178.667 176.300 0.166 0.000 1.134 21 R CA 1.373 57.526 56.100 0.089 0.000 0.952 21 R CB -0.234 30.101 30.300 0.059 0.000 0.850 21 R HN 0.129 nan 8.270 nan 0.000 0.433 22 A N 0.886 123.811 122.820 0.175 0.000 1.908 22 A HA -0.259 4.060 4.320 -0.001 0.000 0.218 22 A C 2.122 179.855 177.584 0.249 0.000 1.181 22 A CA 1.668 53.906 52.037 0.334 0.000 0.627 22 A CB -0.677 18.544 19.000 0.369 0.000 0.818 22 A HN 0.624 nan 8.150 nan 0.000 0.445 23 Q N -0.291 119.603 119.800 0.156 0.000 2.084 23 Q HA -0.223 4.116 4.340 -0.001 0.000 0.202 23 Q C 2.162 178.218 176.000 0.094 0.000 0.978 23 Q CA 1.977 57.843 55.803 0.105 0.000 0.844 23 Q CB -0.179 28.597 28.738 0.063 0.000 0.898 23 Q HN 0.691 nan 8.270 nan 0.000 0.426 24 K N 0.471 120.929 120.400 0.098 0.000 2.097 24 K HA -0.173 4.146 4.320 -0.001 0.000 0.206 24 K C 1.199 177.861 176.600 0.102 0.000 1.049 24 K CA 1.677 58.014 56.287 0.084 0.000 0.933 24 K CB 0.033 32.580 32.500 0.077 0.000 0.717 24 K HN 0.396 nan 8.250 nan 0.000 0.442 25 E N 0.576 120.869 120.200 0.154 0.000 2.496 25 E HA -0.014 4.335 4.350 -0.001 0.000 0.200 25 E C 1.348 178.042 176.600 0.158 0.000 1.016 25 E CA -0.165 56.339 56.400 0.174 0.000 0.962 25 E CB 0.185 30.047 29.700 0.269 0.000 1.071 25 E HN 0.153 nan 8.360 nan 0.000 0.457 26 L N 0.495 121.784 121.223 0.110 0.000 2.141 26 L HA -0.052 4.287 4.340 -0.001 0.000 0.209 26 L C 1.858 178.742 176.870 0.022 0.000 1.094 26 L CA 1.522 56.399 54.840 0.062 0.000 0.763 26 L CB 0.017 42.096 42.059 0.034 0.000 0.908 26 L HN 0.313 nan 8.230 nan 0.000 0.437 27 L N -1.507 119.737 121.223 0.036 0.000 2.463 27 L HA 0.175 4.514 4.340 -0.001 0.000 0.219 27 L C 0.229 177.125 176.870 0.044 0.000 1.088 27 L CA 0.077 54.929 54.840 0.021 0.000 0.849 27 L CB -0.133 41.933 42.059 0.011 0.000 1.012 27 L HN 0.290 nan 8.230 nan 0.000 0.468 28 N N 0.210 118.955 118.700 0.075 0.000 2.640 28 N HA 0.139 4.878 4.740 -0.001 0.000 0.262 28 N C -1.518 174.066 175.510 0.124 0.000 1.174 28 N CA -0.431 52.666 53.050 0.079 0.000 0.791 28 N CB 0.714 39.226 38.487 0.041 0.000 1.279 28 N HN -0.049 nan 8.380 nan 0.000 0.535 29 F N 3.777 123.726 119.950 -0.003 0.000 2.411 29 F HA 0.424 4.951 4.527 -0.001 0.000 0.350 29 F C 1.251 177.065 175.800 0.023 0.000 1.114 29 F CA -0.280 57.723 58.000 0.005 0.000 1.135 29 F CB 0.457 39.434 39.000 -0.037 0.000 1.120 29 F HN 0.720 nan 8.300 nan 0.000 0.495 30 N N 4.761 123.026 118.700 -0.726 0.000 2.721 30 N HA -0.264 4.475 4.740 -0.001 0.000 0.249 30 N C -0.357 175.002 175.510 -0.251 0.000 1.072 30 N CA 0.950 53.634 53.050 -0.609 0.000 0.710 30 N CB -0.760 37.174 38.487 -0.922 0.000 0.993 30 N HN 0.953 nan 8.380 nan 0.000 0.547 31 D N -2.376 117.938 120.400 -0.144 0.000 3.059 31 D HA -0.202 4.437 4.640 -0.001 0.000 0.220 31 D C 1.185 177.463 176.300 -0.037 0.000 1.169 31 D CA 1.662 55.622 54.000 -0.067 0.000 0.902 31 D CB -1.572 39.189 40.800 -0.064 0.000 1.116 31 D HN 0.783 nan 8.370 nan 0.000 0.417 32 T N -3.065 111.475 114.554 -0.023 0.000 3.113 32 T HA -0.070 4.279 4.350 -0.001 0.000 0.256 32 T C 1.093 175.807 174.700 0.023 0.000 1.131 32 T CA 0.912 63.020 62.100 0.013 0.000 1.074 32 T CB 0.375 69.276 68.868 0.054 0.000 0.944 32 T HN 0.070 nan 8.240 nan 0.000 0.516 33 Q N -0.786 119.028 119.800 0.023 0.000 2.416 33 Q HA -0.135 4.204 4.340 -0.001 0.000 0.235 33 Q C -0.273 175.746 176.000 0.032 0.000 0.773 33 Q CA 1.108 56.925 55.803 0.023 0.000 1.286 33 Q CB -2.708 26.038 28.738 0.012 0.000 1.556 33 Q HN 0.676 nan 8.270 nan 0.000 0.650 34 M N -0.609 119.024 119.600 0.054 0.000 2.591 34 M HA 0.463 4.942 4.480 -0.001 0.000 0.306 34 M C 0.298 176.645 176.300 0.078 0.000 1.190 34 M CA -0.591 54.740 55.300 0.051 0.000 0.889 34 M CB 2.339 34.969 32.600 0.051 0.000 1.728 34 M HN 0.037 nan 8.290 nan 0.000 0.458 35 S N 0.373 116.090 115.700 0.028 0.000 2.579 35 S HA 0.084 4.553 4.470 -0.001 0.000 0.275 35 S C 0.959 175.540 174.600 -0.033 0.000 1.345 35 S CA -0.388 57.808 58.200 -0.006 0.000 1.031 35 S CB 1.008 64.166 63.200 -0.070 0.000 0.892 35 S HN 0.631 nan 8.310 nan 0.000 0.529 36 V N 5.826 125.631 119.914 -0.183 0.000 2.594 36 V HA -0.128 3.991 4.120 -0.001 0.000 0.253 36 V C 1.986 177.986 176.094 -0.156 0.000 1.069 36 V CA 2.145 64.239 62.300 -0.344 0.000 1.082 36 V CB -0.519 30.699 31.823 -1.008 0.000 0.680 36 V HN 0.975 nan 8.190 nan 0.000 0.469 37 M N -0.718 118.811 119.600 -0.117 0.000 2.549 37 M HA -0.102 4.377 4.480 -0.001 0.000 0.260 37 M C 1.527 177.775 176.300 -0.087 0.000 1.076 37 M CA 1.507 56.748 55.300 -0.099 0.000 1.090 37 M CB -0.101 32.391 32.600 -0.180 0.000 1.418 37 M HN 0.423 nan 8.290 nan 0.000 0.486 38 E N -0.333 119.829 120.200 -0.063 0.000 2.498 38 E HA 0.225 4.574 4.350 -0.001 0.000 0.203 38 E C -0.179 176.411 176.600 -0.017 0.000 1.013 38 E CA -0.174 56.202 56.400 -0.040 0.000 0.927 38 E CB 0.593 30.276 29.700 -0.028 0.000 1.012 38 E HN 0.413 nan 8.360 nan 0.000 0.482 39 L N 0.795 122.012 121.223 -0.010 0.000 2.379 39 L HA 0.253 4.592 4.340 -0.001 0.000 0.269 39 L C 0.621 177.490 176.870 -0.002 0.000 1.084 39 L CA -0.652 54.202 54.840 0.022 0.000 0.802 39 L CB 1.341 43.452 42.059 0.087 0.000 1.175 39 L HN -0.071 nan 8.230 nan 0.000 0.448 40 S N 0.114 115.820 115.700 0.009 0.000 2.564 40 S HA 0.023 4.492 4.470 -0.001 0.000 0.278 40 S C 1.178 175.760 174.600 -0.030 0.000 1.333 40 S CA -0.606 57.583 58.200 -0.019 0.000 1.048 40 S CB 0.366 63.521 63.200 -0.075 0.000 0.900 40 S HN 0.729 nan 8.310 nan 0.000 0.505 41 H N 4.464 123.445 119.070 -0.148 0.000 2.556 41 H HA 0.213 4.768 4.556 -0.002 0.000 0.268 41 H C 0.860 176.249 175.328 0.102 0.000 0.996 41 H CA 0.083 56.029 56.048 -0.169 0.000 1.157 41 H CB -0.121 29.452 29.762 -0.315 0.000 1.355 41 H HN 0.465 nan 8.280 nan 0.000 0.597 42 R N 1.397 121.710 120.500 -0.311 0.000 2.334 42 R HA 0.078 4.417 4.340 -0.001 0.000 0.216 42 R C 0.806 177.089 176.300 -0.029 0.000 0.905 42 R CA 0.369 56.366 56.100 -0.172 0.000 1.064 42 R CB -0.019 30.126 30.300 -0.259 0.000 1.046 42 R HN 0.410 nan 8.270 nan 0.000 0.508 43 S N 0.438 116.155 115.700 0.028 0.000 2.579 43 S HA -0.037 4.432 4.470 -0.001 0.000 0.275 43 S C 1.251 175.919 174.600 0.113 0.000 1.345 43 S CA -0.381 57.863 58.200 0.073 0.000 1.031 43 S CB 1.604 64.865 63.200 0.101 0.000 0.892 43 S HN 0.363 nan 8.310 nan 0.000 0.529 44 Q N 1.880 121.732 119.800 0.086 0.000 2.224 44 Q HA -0.082 4.257 4.340 -0.001 0.000 0.203 44 Q C 1.768 177.839 176.000 0.119 0.000 0.970 44 Q CA 1.661 57.515 55.803 0.084 0.000 0.865 44 Q CB -0.456 28.314 28.738 0.054 0.000 0.922 44 Q HN 0.737 nan 8.270 nan 0.000 0.445 45 S N -0.110 115.684 115.700 0.156 0.000 2.368 45 S HA -0.154 4.315 4.470 -0.001 0.000 0.225 45 S C 1.456 176.251 174.600 0.326 0.000 1.030 45 S CA 1.194 59.537 58.200 0.238 0.000 0.999 45 S CB -0.463 62.908 63.200 0.285 0.000 0.844 45 S HN 0.606 nan 8.310 nan 0.000 0.459 46 Y N 2.357 122.770 120.300 0.189 0.000 2.220 46 Y HA -0.043 4.505 4.550 -0.002 0.000 0.291 46 Y C 2.209 178.214 175.900 0.176 0.000 1.129 46 Y CA 1.382 59.579 58.100 0.161 0.000 1.161 46 Y CB -0.315 38.208 38.460 0.106 0.000 0.997 46 Y HN 0.232 nan 8.280 nan 0.000 0.522 47 E N 0.157 120.392 120.200 0.058 0.000 2.110 47 E HA -0.272 4.077 4.350 -0.001 0.000 0.193 47 E C 2.027 178.630 176.600 0.005 0.000 0.988 47 E CA 1.405 57.808 56.400 0.006 0.000 0.804 47 E CB -0.215 29.534 29.700 0.081 0.000 0.745 47 E HN 0.661 nan 8.360 nan 0.000 0.458 48 E N 0.725 120.945 120.200 0.034 0.000 2.085 48 E HA -0.171 4.178 4.350 -0.001 0.000 0.194 48 E C 2.170 178.787 176.600 0.027 0.000 0.994 48 E CA 1.144 57.574 56.400 0.050 0.000 0.801 48 E CB 0.179 29.930 29.700 0.085 0.000 0.743 48 E HN 0.006 nan 8.360 nan 0.000 0.453 49 V N 0.254 120.161 119.914 -0.012 0.000 2.343 49 V HA -0.264 3.855 4.120 -0.001 0.000 0.247 49 V C 2.271 178.302 176.094 -0.104 0.000 1.051 49 V CA 2.345 64.626 62.300 -0.032 0.000 1.036 49 V CB -0.698 31.101 31.823 -0.039 0.000 0.654 49 V HN 0.455 nan 8.190 nan 0.000 0.451 50 H N 0.466 119.315 119.070 -0.367 0.000 2.321 50 H HA -0.204 4.351 4.556 -0.002 0.000 0.300 50 H C 2.235 177.597 175.328 0.058 0.000 1.087 50 H CA 2.279 58.219 56.048 -0.179 0.000 1.319 50 H CB 0.003 29.597 29.762 -0.281 0.000 1.379 50 H HN 0.433 nan 8.280 nan 0.000 0.501 51 E N 0.321 120.541 120.200 0.034 0.000 2.072 51 E HA -0.218 4.131 4.350 -0.001 0.000 0.191 51 E C 2.479 179.076 176.600 -0.005 0.000 0.985 51 E CA 1.570 57.972 56.400 0.004 0.000 0.801 51 E CB -0.255 29.480 29.700 0.059 0.000 0.750 51 E HN 0.685 nan 8.360 nan 0.000 0.452 52 Q N -0.445 119.359 119.800 0.007 0.000 2.084 52 Q HA -0.163 4.176 4.340 -0.001 0.000 0.202 52 Q C 2.054 178.059 176.000 0.008 0.000 0.978 52 Q CA 1.791 57.599 55.803 0.008 0.000 0.844 52 Q CB -0.348 28.399 28.738 0.015 0.000 0.898 52 Q HN 0.369 nan 8.270 nan 0.000 0.426 53 A N 0.404 123.230 122.820 0.010 0.000 1.908 53 A HA -0.276 4.043 4.320 -0.001 0.000 0.218 53 A C 1.956 179.635 177.584 0.158 0.000 1.181 53 A CA 1.759 53.822 52.037 0.044 0.000 0.627 53 A CB -0.626 18.340 19.000 -0.057 0.000 0.818 53 A HN 0.547 nan 8.150 nan 0.000 0.445 54 Q N -0.570 119.316 119.800 0.144 0.000 2.050 54 Q HA -0.173 4.166 4.340 -0.001 0.000 0.202 54 Q C 1.890 177.886 176.000 -0.006 0.000 0.980 54 Q CA 1.581 57.391 55.803 0.012 0.000 0.840 54 Q CB -0.178 28.469 28.738 -0.152 0.000 0.898 54 Q HN 0.644 nan 8.270 nan 0.000 0.424 55 N N 0.329 119.026 118.700 -0.005 0.000 2.188 55 N HA -0.098 4.641 4.740 -0.001 0.000 0.184 55 N C 1.745 177.252 175.510 -0.005 0.000 1.018 55 N CA 0.853 53.898 53.050 -0.008 0.000 0.858 55 N CB -0.169 38.316 38.487 -0.004 0.000 0.989 55 N HN 0.190 nan 8.380 nan 0.000 0.426 56 L N 0.449 121.673 121.223 0.002 0.000 2.046 56 L HA -0.112 4.227 4.340 -0.001 0.000 0.208 56 L C 2.229 179.096 176.870 -0.004 0.000 1.077 56 L CA 0.796 55.634 54.840 -0.003 0.000 0.747 56 L CB -0.374 41.683 42.059 -0.003 0.000 0.896 56 L HN 0.126 nan 8.230 nan 0.000 0.432 57 L N -0.697 120.531 121.223 0.010 0.000 2.017 57 L HA -0.255 4.084 4.340 -0.001 0.000 0.208 57 L C 2.850 179.704 176.870 -0.025 0.000 1.073 57 L CA 1.279 56.120 54.840 0.000 0.000 0.745 57 L CB -0.369 41.705 42.059 0.026 0.000 0.894 57 L HN 0.205 nan 8.230 nan 0.000 0.432 58 R N -0.081 120.402 120.500 -0.028 0.000 2.096 58 R HA -0.259 4.080 4.340 -0.001 0.000 0.240 58 R C 2.294 178.575 176.300 -0.032 0.000 1.139 58 R CA 2.171 58.249 56.100 -0.036 0.000 0.952 58 R CB -0.201 30.083 30.300 -0.027 0.000 0.854 58 R HN 0.407 nan 8.270 nan 0.000 0.436 59 E N 0.157 120.342 120.200 -0.024 0.000 2.072 59 E HA -0.179 4.170 4.350 -0.001 0.000 0.191 59 E C 2.069 178.652 176.600 -0.028 0.000 0.985 59 E CA 1.008 57.394 56.400 -0.023 0.000 0.801 59 E CB -0.036 29.653 29.700 -0.019 0.000 0.750 59 E HN 0.379 nan 8.360 nan 0.000 0.452 60 L N 0.466 121.671 121.223 -0.029 0.000 2.056 60 L HA -0.128 4.211 4.340 -0.001 0.000 0.207 60 L C 2.358 179.208 176.870 -0.034 0.000 1.078 60 L CA 0.833 55.654 54.840 -0.033 0.000 0.749 60 L CB -0.093 41.947 42.059 -0.031 0.000 0.901 60 L HN 0.248 nan 8.230 nan 0.000 0.433 61 L N -0.939 120.258 121.223 -0.042 0.000 2.607 61 L HA 0.072 4.411 4.340 -0.001 0.000 0.228 61 L C 0.243 177.079 176.870 -0.056 0.000 1.123 61 L CA -0.007 54.802 54.840 -0.052 0.000 0.890 61 L CB 0.046 42.059 42.059 -0.077 0.000 1.103 61 L HN 0.313 nan 8.230 nan 0.000 0.468 62 Q N 0.860 120.631 119.800 -0.048 0.000 2.453 62 Q HA -0.190 4.150 4.340 -0.001 0.000 0.330 62 Q C -0.347 175.611 176.000 -0.071 0.000 1.417 62 Q CA 0.423 56.199 55.803 -0.045 0.000 0.902 62 Q CB -1.675 27.045 28.738 -0.030 0.000 1.154 62 Q HN 0.455 nan 8.270 nan 0.000 0.395 63 I N 1.283 121.802 120.570 -0.086 0.000 2.496 63 I HA 0.163 4.332 4.170 -0.001 0.000 0.285 63 I C -1.606 174.471 176.117 -0.066 0.000 1.080 63 I CA -1.982 59.236 61.300 -0.137 0.000 1.404 63 I CB 0.388 38.310 38.000 -0.130 0.000 1.403 63 I HN 0.023 nan 8.210 nan 0.000 0.539 64 P HA 0.064 nan 4.420 nan 0.000 0.269 64 P C 0.058 177.453 177.300 0.158 0.000 1.215 64 P CA -0.210 62.945 63.100 0.092 0.000 0.780 64 P CB 0.434 32.254 31.700 0.200 0.000 0.898 65 N N 1.323 120.084 118.700 0.102 0.000 2.519 65 N HA -0.125 4.614 4.740 -0.001 0.000 0.186 65 N C 0.674 176.227 175.510 0.072 0.000 1.062 65 N CA 1.023 54.116 53.050 0.071 0.000 0.910 65 N CB -0.459 38.052 38.487 0.040 0.000 0.958 65 N HN 0.563 nan 8.380 nan 0.000 0.445 66 D N -1.398 119.064 120.400 0.102 0.000 2.342 66 D HA -0.053 4.586 4.640 -0.001 0.000 0.221 66 D C -0.338 175.887 176.300 -0.124 0.000 1.101 66 D CA -0.236 53.753 54.000 -0.018 0.000 0.837 66 D CB -0.435 40.322 40.800 -0.071 0.000 0.938 66 D HN 0.098 nan 8.370 nan 0.000 0.508 67 Y N 0.738 121.020 120.300 -0.030 0.000 2.420 67 Y HA 0.423 4.972 4.550 -0.002 0.000 0.334 67 Y C 0.501 176.369 175.900 -0.054 0.000 1.094 67 Y CA -0.999 57.075 58.100 -0.043 0.000 1.126 67 Y CB 1.671 40.104 38.460 -0.045 0.000 1.217 67 Y HN -0.178 nan 8.280 nan 0.000 0.462 68 Q N 2.346 122.190 119.800 0.074 0.000 2.345 68 Q HA 0.633 4.972 4.340 -0.001 0.000 0.268 68 Q C -1.545 174.435 176.000 -0.033 0.000 1.054 68 Q CA -0.708 55.098 55.803 0.005 0.000 0.835 68 Q CB 1.412 30.140 28.738 -0.018 0.000 1.339 68 Q HN 0.703 nan 8.270 nan 0.000 0.447 69 I N 4.723 125.218 120.570 -0.124 0.000 2.312 69 I HA 0.281 4.450 4.170 -0.001 0.000 0.290 69 I C -0.623 175.257 176.117 -0.396 0.000 1.008 69 I CA -0.559 60.595 61.300 -0.244 0.000 1.226 69 I CB 0.831 38.650 38.000 -0.302 0.000 1.371 69 I HN 0.488 nan 8.210 nan 0.000 0.468 70 L N 6.331 127.377 121.223 -0.296 0.000 2.331 70 L HA 0.544 4.883 4.340 -0.001 0.000 0.275 70 L C -0.881 175.838 176.870 -0.251 0.000 1.022 70 L CA -0.530 54.169 54.840 -0.235 0.000 0.812 70 L CB 1.437 43.488 42.059 -0.014 0.000 1.257 70 L HN 0.431 nan 8.230 nan 0.000 0.435 71 F N 3.448 123.428 119.950 0.050 0.000 2.382 71 F HA 0.535 5.061 4.527 -0.001 0.000 0.361 71 F C -0.130 175.669 175.800 -0.002 0.000 1.109 71 F CA -0.674 57.345 58.000 0.031 0.000 1.031 71 F CB 1.271 40.316 39.000 0.076 0.000 1.234 71 F HN 0.154 nan 8.300 nan 0.000 0.445 72 L N 2.730 124.024 121.223 0.117 0.000 2.303 72 L HA 0.520 4.859 4.340 -0.001 0.000 0.266 72 L C -0.382 176.469 176.870 -0.031 0.000 1.011 72 L CA -1.096 53.716 54.840 -0.047 0.000 0.818 72 L CB 2.178 44.146 42.059 -0.151 0.000 1.326 72 L HN 0.544 nan 8.230 nan 0.000 0.435 73 Q N -0.361 119.400 119.800 -0.066 0.000 2.180 73 Q HA 0.530 4.869 4.340 -0.001 0.000 0.241 73 Q C 0.547 176.504 176.000 -0.072 0.000 0.970 73 Q CA 0.189 55.962 55.803 -0.050 0.000 0.919 73 Q CB 1.575 30.291 28.738 -0.036 0.000 1.222 73 Q HN 0.906 nan 8.270 nan 0.000 0.482 74 G N -0.578 108.184 108.800 -0.065 0.000 2.231 74 G HA2 -0.042 3.917 3.960 -0.001 0.000 0.206 74 G HA3 -0.042 3.917 3.960 -0.001 0.000 0.206 74 G C 0.415 175.255 174.900 -0.099 0.000 0.996 74 G CA -0.142 44.912 45.100 -0.076 0.000 0.645 74 G HN 1.284 nan 8.290 nan 0.000 0.498 75 G N -0.740 107.998 108.800 -0.103 0.000 2.829 75 G HA2 0.313 4.272 3.960 -0.001 0.000 0.628 75 G HA3 0.313 4.272 3.960 -0.001 0.000 0.628 75 G C 1.134 175.914 174.900 -0.199 0.000 1.412 75 G CA 0.994 46.012 45.100 -0.136 0.000 0.864 75 G HN 1.868 nan 8.290 nan 0.000 0.544 76 A N -0.338 122.332 122.820 -0.249 0.000 1.972 76 A HA 0.149 4.468 4.320 -0.001 0.000 0.219 76 A C 2.783 179.916 177.584 -0.752 0.000 1.169 76 A CA 2.833 54.674 52.037 -0.327 0.000 0.635 76 A CB -0.661 18.175 19.000 -0.273 0.000 0.810 76 A HN 1.595 nan 8.150 nan 0.000 0.446 77 S N -0.540 114.759 115.700 -0.668 0.000 2.383 77 S HA -0.162 4.307 4.470 -0.001 0.000 0.229 77 S C 1.806 176.197 174.600 -0.349 0.000 1.030 77 S CA 1.504 59.318 58.200 -0.644 0.000 1.002 77 S CB -0.378 62.722 63.200 -0.167 0.000 0.829 77 S HN 0.514 nan 8.310 nan 0.000 0.467 78 L N 1.794 122.870 121.223 -0.244 0.000 2.141 78 L HA -0.019 4.320 4.340 -0.001 0.000 0.209 78 L C 2.128 178.890 176.870 -0.180 0.000 1.094 78 L CA 1.616 56.365 54.840 -0.152 0.000 0.763 78 L CB -0.665 41.316 42.059 -0.131 0.000 0.908 78 L HN 0.126 nan 8.230 nan 0.000 0.437 79 Q N -0.721 118.893 119.800 -0.311 0.000 2.224 79 Q HA -0.143 4.196 4.340 -0.001 0.000 0.203 79 Q C 2.286 178.167 176.000 -0.199 0.000 0.970 79 Q CA 1.584 57.156 55.803 -0.385 0.000 0.865 79 Q CB -0.494 27.725 28.738 -0.865 0.000 0.922 79 Q HN 0.612 nan 8.270 nan 0.000 0.445 80 F N -0.083 119.774 119.950 -0.155 0.000 2.192 80 F HA -0.253 4.274 4.527 -0.001 0.000 0.301 80 F C 2.483 178.269 175.800 -0.023 0.000 1.079 80 F CA 1.157 59.137 58.000 -0.033 0.000 1.303 80 F CB -0.012 39.020 39.000 0.053 0.000 1.024 80 F HN 0.148 nan 8.300 nan 0.000 0.494 81 T N -0.840 113.800 114.554 0.144 0.000 3.039 81 T HA 0.027 4.376 4.350 -0.001 0.000 0.250 81 T C 1.820 176.544 174.700 0.038 0.000 1.052 81 T CA 0.210 62.362 62.100 0.087 0.000 1.125 81 T CB -0.011 68.895 68.868 0.064 0.000 0.908 81 T HN 0.086 nan 8.240 nan 0.000 0.473 82 M N 0.718 120.304 119.600 -0.023 0.000 2.213 82 M HA 0.001 4.480 4.480 -0.001 0.000 0.263 82 M C 2.089 178.429 176.300 0.066 0.000 1.062 82 M CA 1.295 56.549 55.300 -0.077 0.000 1.105 82 M CB -0.309 32.143 32.600 -0.247 0.000 1.385 82 M HN 0.325 nan 8.290 nan 0.000 0.417 83 L N 1.666 122.948 121.223 0.099 0.000 2.005 83 L HA -0.040 4.299 4.340 -0.001 0.000 0.207 83 L C -0.863 176.061 176.870 0.089 0.000 1.072 83 L CA 2.080 56.978 54.840 0.097 0.000 0.744 83 L CB -1.839 40.165 42.059 -0.091 0.000 0.895 83 L HN 0.043 nan 8.230 nan 0.000 0.433 84 P HA -0.183 nan 4.420 nan 0.000 0.221 84 P C 2.006 179.408 177.300 0.171 0.000 1.150 84 P CA 1.581 64.831 63.100 0.250 0.000 0.800 84 P CB -0.228 31.642 31.700 0.283 0.000 0.787 85 M N -0.558 119.110 119.600 0.113 0.000 2.213 85 M HA -0.117 4.362 4.480 -0.001 0.000 0.263 85 M C 1.676 178.028 176.300 0.086 0.000 1.062 85 M CA 1.661 57.006 55.300 0.075 0.000 1.105 85 M CB -0.271 32.343 32.600 0.025 0.000 1.385 85 M HN -0.081 nan 8.290 nan 0.000 0.417 86 N N -0.758 118.021 118.700 0.131 0.000 2.402 86 N HA 0.058 4.797 4.740 -0.001 0.000 0.174 86 N C 1.397 176.991 175.510 0.141 0.000 1.027 86 N CA 0.903 54.044 53.050 0.151 0.000 0.891 86 N CB 0.505 39.172 38.487 0.299 0.000 1.016 86 N HN 0.382 nan 8.380 nan 0.000 0.439 87 L N 0.321 121.646 121.223 0.169 0.000 2.642 87 L HA 0.212 4.551 4.340 -0.001 0.000 0.233 87 L C 0.113 177.113 176.870 0.217 0.000 1.077 87 L CA -0.062 54.889 54.840 0.184 0.000 0.879 87 L CB 0.522 42.710 42.059 0.215 0.000 1.151 87 L HN 0.015 nan 8.230 nan 0.000 0.495 88 L N 2.467 123.838 121.223 0.246 0.000 2.395 88 L HA 0.157 4.496 4.340 -0.001 0.000 0.268 88 L C 0.733 177.662 176.870 0.098 0.000 1.223 88 L CA 0.190 55.138 54.840 0.180 0.000 1.093 88 L CB -0.385 41.801 42.059 0.212 0.000 1.349 88 L HN 0.091 nan 8.230 nan 0.000 0.427 89 T N 0.316 114.911 114.554 0.068 0.000 2.847 89 T HA 0.644 4.993 4.350 -0.001 0.000 0.279 89 T C 0.502 175.220 174.700 0.029 0.000 0.984 89 T CA -0.377 61.750 62.100 0.046 0.000 0.988 89 T CB 0.520 69.410 68.868 0.037 0.000 1.040 89 T HN 0.640 nan 8.240 nan 0.000 0.528 90 K N -0.410 120.004 120.400 0.024 0.000 2.489 90 K HA 0.475 4.794 4.320 -0.001 0.000 0.278 90 K C 1.493 178.100 176.600 0.011 0.000 1.000 90 K CA 0.063 56.361 56.287 0.017 0.000 1.012 90 K CB -1.308 31.202 32.500 0.015 0.000 0.903 90 K HN 2.166 nan 8.250 nan 0.000 0.485 91 G N 0.638 109.443 108.800 0.007 0.000 2.176 91 G HA2 -0.213 3.746 3.960 -0.001 0.000 0.253 91 G HA3 -0.213 3.746 3.960 -0.001 0.000 0.253 91 G C 0.542 175.439 174.900 -0.006 0.000 0.979 91 G CA 1.463 46.564 45.100 0.002 0.000 0.641 91 G HN 1.975 nan 8.290 nan 0.000 0.530 92 T N -1.549 113.000 114.554 -0.008 0.000 2.940 92 T HA 0.808 5.157 4.350 -0.001 0.000 0.288 92 T C -0.198 174.477 174.700 -0.042 0.000 1.045 92 T CA -0.883 61.200 62.100 -0.029 0.000 1.018 92 T CB 2.661 71.510 68.868 -0.031 0.000 1.151 92 T HN 0.579 nan 8.240 nan 0.000 0.529 93 I N 0.577 121.095 120.570 -0.087 0.000 2.498 93 I HA 0.523 4.693 4.170 -0.001 0.000 0.290 93 I C 0.583 176.557 176.117 -0.238 0.000 1.032 93 I CA -1.175 60.070 61.300 -0.092 0.000 1.073 93 I CB 2.152 40.119 38.000 -0.056 0.000 1.251 93 I HN 0.970 nan 8.210 nan 0.000 0.426 94 G N 3.861 112.553 108.800 -0.178 0.000 2.393 94 G HA2 0.184 4.143 3.960 -0.001 0.000 0.311 94 G HA3 0.184 4.143 3.960 -0.001 0.000 0.311 94 G C -0.495 174.370 174.900 -0.058 0.000 1.067 94 G CA -0.250 44.618 45.100 -0.387 0.000 1.000 94 G HN 0.509 nan 8.290 nan 0.000 0.422 95 N N 1.513 120.051 118.700 -0.269 0.000 2.422 95 N HA 0.391 5.130 4.740 -0.001 0.000 0.266 95 N C -1.369 174.086 175.510 -0.092 0.000 1.007 95 N CA -0.421 52.632 53.050 0.005 0.000 0.941 95 N CB 0.774 39.274 38.487 0.021 0.000 1.115 95 N HN 0.378 nan 8.380 nan 0.000 0.492 96 Y N 1.117 121.466 120.300 0.082 0.000 2.393 96 Y HA 0.415 4.964 4.550 -0.002 0.000 0.341 96 Y C -0.024 175.894 175.900 0.031 0.000 0.988 96 Y CA -0.875 57.291 58.100 0.110 0.000 1.078 96 Y CB 1.634 40.142 38.460 0.080 0.000 1.203 96 Y HN 0.111 nan 8.280 nan 0.000 0.453 97 V N 5.282 125.285 119.914 0.149 0.000 2.350 97 V HA 0.283 4.402 4.120 -0.001 0.000 0.276 97 V C -0.207 176.017 176.094 0.216 0.000 1.028 97 V CA -0.815 61.530 62.300 0.076 0.000 0.860 97 V CB 0.799 32.596 31.823 -0.042 0.000 0.990 97 V HN 0.555 nan 8.190 nan 0.000 0.453 98 L N 5.509 126.851 121.223 0.199 0.000 2.261 98 L HA 0.416 4.755 4.340 -0.001 0.000 0.289 98 L C 0.964 177.976 176.870 0.235 0.000 1.059 98 L CA -0.022 54.943 54.840 0.208 0.000 0.816 98 L CB 1.088 43.294 42.059 0.245 0.000 1.191 98 L HN 0.861 nan 8.230 nan 0.000 0.431 99 T N -1.728 112.851 114.554 0.042 0.000 3.170 99 T HA 0.522 4.871 4.350 -0.001 0.000 0.288 99 T C 0.396 174.763 174.700 -0.555 0.000 0.992 99 T CA 0.071 62.158 62.100 -0.021 0.000 0.909 99 T CB 0.828 69.806 68.868 0.183 0.000 1.133 99 T HN 0.740 nan 8.240 nan 0.000 0.530 100 G N 0.432 108.582 108.800 -1.084 0.000 2.341 100 G HA2 0.394 4.353 3.960 -0.001 0.000 0.299 100 G HA3 0.394 4.353 3.960 -0.001 0.000 0.299 100 G C 0.341 174.865 174.900 -0.627 0.000 1.274 100 G CA 0.134 44.534 45.100 -1.167 0.000 0.853 100 G HN -0.045 nan 8.290 nan 0.000 0.493 101 S N -1.343 114.249 115.700 -0.180 0.000 2.368 101 S HA -0.068 4.401 4.470 -0.001 0.000 0.224 101 S C 1.832 176.294 174.600 -0.231 0.000 1.029 101 S CA 2.208 60.297 58.200 -0.185 0.000 0.988 101 S CB -0.387 62.647 63.200 -0.277 0.000 0.838 101 S HN 0.524 nan 8.310 nan 0.000 0.462 102 W N 1.673 122.983 121.300 0.017 0.000 2.374 102 W HA -0.026 4.633 4.660 -0.001 0.000 0.288 102 W C 2.815 179.310 176.519 -0.041 0.000 1.218 102 W CA 0.696 58.084 57.345 0.072 0.000 1.245 102 W CB -0.433 29.146 29.460 0.198 0.000 1.126 102 W HN 0.259 nan 8.180 nan 0.000 0.545 103 S N 0.365 116.163 115.700 0.163 0.000 2.368 103 S HA -0.209 4.260 4.470 -0.001 0.000 0.225 103 S C 1.386 175.952 174.600 -0.057 0.000 1.030 103 S CA 1.578 59.846 58.200 0.113 0.000 0.999 103 S CB -0.497 62.779 63.200 0.126 0.000 0.844 103 S HN 0.395 nan 8.310 nan 0.000 0.459 104 E N 1.206 121.354 120.200 -0.087 0.000 2.110 104 E HA -0.113 4.236 4.350 -0.001 0.000 0.193 104 E C 2.086 178.564 176.600 -0.203 0.000 0.988 104 E CA 0.764 57.093 56.400 -0.120 0.000 0.804 104 E CB -0.067 29.600 29.700 -0.054 0.000 0.745 104 E HN 0.381 nan 8.360 nan 0.000 0.458 105 K N 0.545 120.820 120.400 -0.208 0.000 2.097 105 K HA -0.100 4.219 4.320 -0.001 0.000 0.206 105 K C 2.225 178.486 176.600 -0.564 0.000 1.049 105 K CA 1.005 57.152 56.287 -0.234 0.000 0.933 105 K CB -0.195 32.325 32.500 0.033 0.000 0.717 105 K HN 0.064 nan 8.250 nan 0.000 0.442 106 A N 1.870 124.097 122.820 -0.987 0.000 1.877 106 A HA -0.174 4.145 4.320 -0.001 0.000 0.216 106 A C 2.206 179.387 177.584 -0.671 0.000 1.186 106 A CA 1.317 52.737 52.037 -1.027 0.000 0.620 106 A CB -0.621 17.901 19.000 -0.797 0.000 0.822 106 A HN 0.247 nan 8.150 nan 0.000 0.443 107 L N 0.217 120.954 121.223 -0.809 0.000 2.012 107 L HA -0.178 4.161 4.340 -0.001 0.000 0.210 107 L C 2.310 178.867 176.870 -0.521 0.000 1.073 107 L CA 2.821 57.024 54.840 -1.062 0.000 0.748 107 L CB -0.638 40.996 42.059 -0.709 0.000 0.891 107 L HN 0.485 nan 8.230 nan 0.000 0.431 108 K N -0.777 119.427 120.400 -0.327 0.000 2.074 108 K HA -0.228 4.091 4.320 -0.001 0.000 0.209 108 K C 1.898 178.428 176.600 -0.117 0.000 1.048 108 K CA 1.823 58.008 56.287 -0.171 0.000 0.926 108 K CB -0.127 32.306 32.500 -0.112 0.000 0.713 108 K HN 0.413 nan 8.250 nan 0.000 0.444 109 E N 0.079 120.215 120.200 -0.106 0.000 2.150 109 E HA -0.124 4.225 4.350 -0.001 0.000 0.193 109 E C 1.893 178.493 176.600 0.001 0.000 0.985 109 E CA 1.041 57.437 56.400 -0.007 0.000 0.814 109 E CB -0.145 29.604 29.700 0.082 0.000 0.752 109 E HN 0.459 nan 8.360 nan 0.000 0.466 110 A N 1.575 124.370 122.820 -0.041 0.000 1.969 110 A HA -0.153 4.167 4.320 -0.001 0.000 0.218 110 A C 1.992 179.592 177.584 0.027 0.000 1.169 110 A CA 1.106 53.180 52.037 0.062 0.000 0.635 110 A CB -0.270 18.842 19.000 0.187 0.000 0.810 110 A HN 0.100 nan 8.150 nan 0.000 0.445 111 K N -0.508 119.868 120.400 -0.040 0.000 2.280 111 K HA -0.008 4.311 4.320 -0.001 0.000 0.202 111 K C 1.556 178.157 176.600 0.002 0.000 1.047 111 K CA 0.896 57.169 56.287 -0.022 0.000 0.942 111 K CB -0.291 32.181 32.500 -0.048 0.000 0.739 111 K HN 0.443 nan 8.250 nan 0.000 0.457 112 L N 0.386 121.613 121.223 0.007 0.000 2.291 112 L HA -0.102 4.238 4.340 -0.001 0.000 0.214 112 L C 1.704 178.590 176.870 0.028 0.000 1.120 112 L CA 0.940 55.791 54.840 0.017 0.000 0.799 112 L CB 0.157 42.228 42.059 0.021 0.000 0.925 112 L HN 0.161 nan 8.230 nan 0.000 0.446 113 L N -2.307 118.941 121.223 0.041 0.000 2.749 113 L HA 0.406 4.745 4.340 -0.001 0.000 0.242 113 L C 0.761 177.663 176.870 0.054 0.000 1.103 113 L CA 0.090 54.960 54.840 0.051 0.000 0.906 113 L CB 0.676 42.778 42.059 0.072 0.000 1.228 113 L HN 0.194 nan 8.230 nan 0.000 0.517 114 G N -1.170 107.662 108.800 0.053 0.000 2.490 114 G HA2 0.160 4.119 3.960 -0.001 0.000 0.308 114 G HA3 0.160 4.119 3.960 -0.001 0.000 0.308 114 G C -1.581 173.346 174.900 0.044 0.000 1.286 114 G CA -0.543 44.586 45.100 0.050 0.000 0.825 114 G HN -0.263 nan 8.290 nan 0.000 0.479 115 E N 0.979 121.201 120.200 0.038 0.000 2.324 115 E HA 0.427 4.776 4.350 -0.001 0.000 0.271 115 E C 0.246 176.879 176.600 0.056 0.000 1.028 115 E CA 0.286 56.709 56.400 0.039 0.000 0.890 115 E CB 0.993 30.709 29.700 0.026 0.000 1.004 115 E HN 0.680 nan 8.360 nan 0.000 0.431 116 T N 0.982 115.581 114.554 0.075 0.000 2.930 116 T HA 0.486 4.835 4.350 -0.001 0.000 0.290 116 T C -0.336 174.468 174.700 0.174 0.000 1.052 116 T CA -0.841 61.333 62.100 0.123 0.000 1.017 116 T CB 2.272 71.189 68.868 0.082 0.000 1.137 116 T HN 0.487 nan 8.240 nan 0.000 0.511 117 H N -0.199 118.924 119.070 0.089 0.000 2.980 117 H HA 0.560 5.115 4.556 -0.002 0.000 0.367 117 H C -1.613 173.778 175.328 0.106 0.000 1.206 117 H CA -0.961 55.129 56.048 0.069 0.000 1.126 117 H CB 2.115 31.902 29.762 0.041 0.000 1.838 117 H HN 0.625 nan 8.280 nan 0.000 0.552 118 I N 2.874 123.138 120.570 -0.510 0.000 2.382 118 I HA 0.209 4.378 4.170 -0.001 0.000 0.285 118 I C 1.049 176.990 176.117 -0.293 0.000 1.007 118 I CA -0.244 60.916 61.300 -0.234 0.000 1.142 118 I CB 1.694 39.604 38.000 -0.150 0.000 1.289 118 I HN 0.698 nan 8.210 nan 0.000 0.453 119 A N 5.266 128.061 122.820 -0.043 0.000 1.929 119 A HA 0.539 4.858 4.320 -0.001 0.000 0.216 119 A C 0.995 178.594 177.584 0.026 0.000 1.176 119 A CA 1.286 53.340 52.037 0.027 0.000 0.628 119 A CB 0.051 18.971 19.000 -0.134 0.000 0.816 119 A HN 0.789 nan 8.150 nan 0.000 0.444 120 A N -2.386 120.431 122.820 -0.005 0.000 2.597 120 A HA 0.630 4.949 4.320 -0.001 0.000 0.292 120 A C -0.581 177.066 177.584 0.106 0.000 1.057 120 A CA 0.346 52.449 52.037 0.109 0.000 0.674 120 A CB 0.350 19.530 19.000 0.300 0.000 1.278 120 A HN 1.198 nan 8.150 nan 0.000 0.416 121 S N -0.769 115.007 115.700 0.126 0.000 2.542 121 S HA 0.613 5.082 4.470 -0.001 0.000 0.276 121 S C -0.052 174.606 174.600 0.098 0.000 1.148 121 S CA 0.465 58.748 58.200 0.138 0.000 0.886 121 S CB 1.265 64.518 63.200 0.088 0.000 1.109 121 S HN 1.844 nan 8.310 nan 0.000 0.458 122 T N 1.136 115.769 114.554 0.130 0.000 3.174 122 T HA 0.286 4.635 4.350 -0.001 0.000 0.269 122 T C 1.234 175.736 174.700 -0.330 0.000 1.017 122 T CA -0.300 61.803 62.100 0.005 0.000 0.899 122 T CB 0.125 69.054 68.868 0.101 0.000 1.077 122 T HN 0.602 nan 8.240 nan 0.000 0.552 123 K N 1.623 121.717 120.400 -0.510 0.000 2.147 123 K HA 0.013 4.332 4.320 -0.001 0.000 0.205 123 K C 2.395 178.656 176.600 -0.564 0.000 1.049 123 K CA 1.196 56.838 56.287 -1.075 0.000 0.936 123 K CB -0.489 31.676 32.500 -0.558 0.000 0.722 123 K HN 0.396 nan 8.250 nan 0.000 0.446 124 A N 1.317 123.961 122.820 -0.293 0.000 1.933 124 A HA -0.152 4.167 4.320 -0.001 0.000 0.218 124 A C 1.011 178.502 177.584 -0.156 0.000 1.175 124 A CA 1.747 53.678 52.037 -0.176 0.000 0.628 124 A CB -0.429 18.507 19.000 -0.106 0.000 0.814 124 A HN 0.551 nan 8.150 nan 0.000 0.444 125 N N -0.488 118.113 118.700 -0.166 0.000 2.320 125 N HA 0.294 5.033 4.740 -0.001 0.000 0.237 125 N C 0.002 175.446 175.510 -0.109 0.000 1.129 125 N CA 0.537 53.521 53.050 -0.110 0.000 0.854 125 N CB 0.646 39.086 38.487 -0.078 0.000 1.083 125 N HN 0.133 nan 8.380 nan 0.000 0.504 126 S N 0.042 115.620 115.700 -0.204 0.000 3.672 126 S HA -0.240 4.229 4.470 -0.001 0.000 0.319 126 S C -0.560 174.046 174.600 0.010 0.000 1.151 126 S CA 0.120 58.251 58.200 -0.116 0.000 0.911 126 S CB -2.073 61.215 63.200 0.147 0.000 0.939 126 S HN 0.651 nan 8.310 nan 0.000 0.524 127 Y N -1.445 118.797 120.300 -0.097 0.000 3.125 127 Y HA -0.308 4.241 4.550 -0.001 0.000 0.200 127 Y C 1.248 177.204 175.900 0.094 0.000 1.373 127 Y CA 0.820 58.838 58.100 -0.137 0.000 1.180 127 Y CB -1.758 36.332 38.460 -0.616 0.000 1.381 127 Y HN 0.581 nan 8.280 nan 0.000 0.501 128 Q N -0.179 119.692 119.800 0.117 0.000 2.356 128 Q HA 0.108 4.447 4.340 -0.001 0.000 0.205 128 Q C 0.692 176.703 176.000 0.019 0.000 0.901 128 Q CA 0.678 56.458 55.803 -0.038 0.000 0.938 128 Q CB 0.734 29.340 28.738 -0.219 0.000 1.081 128 Q HN 0.501 nan 8.270 nan 0.000 0.517 129 S N -0.958 114.773 115.700 0.052 0.000 2.625 129 S HA 0.497 4.966 4.470 -0.001 0.000 0.271 129 S C -0.854 173.764 174.600 0.029 0.000 1.161 129 S CA -1.010 57.202 58.200 0.019 0.000 0.820 129 S CB 1.333 64.519 63.200 -0.023 0.000 1.137 129 S HN -0.012 nan 8.310 nan 0.000 0.470 130 I N 2.717 123.260 120.570 -0.046 0.000 2.371 130 I HA 0.403 4.572 4.170 -0.001 0.000 0.290 130 I C -1.958 174.127 176.117 -0.053 0.000 1.028 130 I CA -2.150 59.082 61.300 -0.113 0.000 1.345 130 I CB 0.119 37.914 38.000 -0.342 0.000 1.407 130 I HN 0.560 nan 8.210 nan 0.000 0.501 131 P HA 0.095 nan 4.420 nan 0.000 0.272 131 P C -0.467 176.861 177.300 0.046 0.000 1.230 131 P CA -0.364 62.807 63.100 0.118 0.000 0.788 131 P CB 0.762 32.629 31.700 0.278 0.000 0.949 132 D N 0.456 120.829 120.400 -0.046 0.000 2.455 132 D HA 0.034 4.674 4.640 -0.001 0.000 0.241 132 D C 1.025 177.193 176.300 -0.220 0.000 1.138 132 D CA 0.118 54.001 54.000 -0.195 0.000 0.877 132 D CB -0.024 40.696 40.800 -0.134 0.000 1.187 132 D HN 0.295 nan 8.370 nan 0.000 0.451 133 F N 0.613 120.280 119.950 -0.471 0.000 2.365 133 F HA -0.185 4.341 4.527 -0.002 0.000 0.300 133 F C 2.560 178.009 175.800 -0.586 0.000 1.090 133 F CA 0.311 57.723 58.000 -0.980 0.000 1.408 133 F CB -0.073 38.526 39.000 -0.668 0.000 1.060 133 F HN 0.344 nan 8.300 nan 0.000 0.534 134 S N 0.602 116.228 115.700 -0.123 0.000 2.469 134 S HA -0.206 4.263 4.470 -0.001 0.000 0.238 134 S C 1.175 175.789 174.600 0.025 0.000 0.998 134 S CA 1.214 59.390 58.200 -0.039 0.000 0.957 134 S CB -0.632 62.545 63.200 -0.039 0.000 0.764 134 S HN 0.590 nan 8.310 nan 0.000 0.514 135 E N 0.215 120.449 120.200 0.057 0.000 2.479 135 E HA 0.165 4.514 4.350 -0.001 0.000 0.193 135 E C -0.725 176.081 176.600 0.343 0.000 1.049 135 E CA -0.410 56.091 56.400 0.168 0.000 0.870 135 E CB -0.104 29.694 29.700 0.162 0.000 0.944 135 E HN 0.431 nan 8.360 nan 0.000 0.492 136 F N 2.808 122.833 119.950 0.125 0.000 2.519 136 F HA 0.070 4.596 4.527 -0.002 0.000 0.375 136 F C 0.956 176.815 175.800 0.099 0.000 1.084 136 F CA -0.554 57.523 58.000 0.127 0.000 1.147 136 F CB 0.122 39.200 39.000 0.130 0.000 1.088 136 F HN -0.054 nan 8.300 nan 0.000 0.555 137 Q N 4.652 124.621 119.800 0.282 0.000 2.344 137 Q HA 0.289 4.628 4.340 -0.001 0.000 0.253 137 Q C -0.544 175.556 176.000 0.166 0.000 1.050 137 Q CA -0.138 55.798 55.803 0.221 0.000 0.912 137 Q CB 0.673 29.594 28.738 0.305 0.000 1.258 137 Q HN 0.561 nan 8.270 nan 0.000 0.443 138 L N 2.756 124.002 121.223 0.038 0.000 2.344 138 L HA 0.485 4.824 4.340 -0.001 0.000 0.272 138 L C 0.035 176.823 176.870 -0.137 0.000 1.035 138 L CA -0.886 53.909 54.840 -0.076 0.000 0.807 138 L CB 1.221 43.096 42.059 -0.306 0.000 1.237 138 L HN 0.520 nan 8.230 nan 0.000 0.442 139 N N 0.394 119.040 118.700 -0.089 0.000 2.269 139 N HA 0.221 4.960 4.740 -0.001 0.000 0.304 139 N C 0.576 176.115 175.510 0.049 0.000 1.072 139 N CA -0.034 52.966 53.050 -0.083 0.000 0.802 139 N CB 1.928 40.319 38.487 -0.160 0.000 1.348 139 N HN 0.685 nan 8.380 nan 0.000 0.484 140 E N 1.038 121.251 120.200 0.021 0.000 2.204 140 E HA -0.188 4.161 4.350 -0.001 0.000 0.195 140 E C 0.876 177.511 176.600 0.058 0.000 0.990 140 E CA 1.272 57.712 56.400 0.068 0.000 0.821 140 E CB -0.713 29.001 29.700 0.023 0.000 0.750 140 E HN 0.693 nan 8.360 nan 0.000 0.477 141 N N 0.983 119.690 118.700 0.012 0.000 2.327 141 N HA 0.032 4.771 4.740 -0.001 0.000 0.231 141 N C -0.994 174.492 175.510 -0.040 0.000 1.130 141 N CA -0.156 52.887 53.050 -0.012 0.000 0.845 141 N CB 0.092 38.567 38.487 -0.020 0.000 1.073 141 N HN 0.110 nan 8.380 nan 0.000 0.496 142 D N 0.944 121.326 120.400 -0.031 0.000 2.425 142 D HA 0.128 4.767 4.640 -0.001 0.000 0.247 142 D C 0.975 177.166 176.300 -0.181 0.000 1.147 142 D CA 0.003 53.936 54.000 -0.111 0.000 0.879 142 D CB 1.593 42.355 40.800 -0.063 0.000 1.179 142 D HN 0.344 nan 8.370 nan 0.000 0.456 143 A N 3.316 125.979 122.820 -0.261 0.000 2.016 143 A HA 0.029 4.349 4.320 -0.001 0.000 0.217 143 A C 0.141 177.671 177.584 -0.090 0.000 1.162 143 A CA 1.092 53.024 52.037 -0.174 0.000 0.662 143 A CB -0.288 18.633 19.000 -0.131 0.000 0.812 143 A HN 0.685 nan 8.150 nan 0.000 0.450 144 Y N -5.091 115.150 120.300 -0.098 0.000 2.741 144 Y HA 0.612 5.162 4.550 -0.001 0.000 0.339 144 Y C -1.342 174.481 175.900 -0.129 0.000 1.226 144 Y CA -1.859 56.168 58.100 -0.122 0.000 1.072 144 Y CB 0.556 38.972 38.460 -0.074 0.000 1.331 144 Y HN 0.028 nan 8.280 nan 0.000 0.453 145 L N 2.900 124.180 121.223 0.095 0.000 2.313 145 L HA 0.525 4.864 4.340 -0.001 0.000 0.283 145 L C -1.077 175.844 176.870 0.085 0.000 1.013 145 L CA -0.330 54.537 54.840 0.044 0.000 0.816 145 L CB 1.160 43.247 42.059 0.046 0.000 1.236 145 L HN 0.886 nan 8.230 nan 0.000 0.419 146 H N 6.335 125.330 119.070 -0.125 0.000 2.459 146 H HA 0.554 5.109 4.556 -0.002 0.000 0.332 146 H C -1.058 174.242 175.328 -0.046 0.000 1.094 146 H CA -0.530 55.436 56.048 -0.136 0.000 1.224 146 H CB 1.496 31.007 29.762 -0.418 0.000 1.449 146 H HN 0.795 nan 8.280 nan 0.000 0.484 147 I N 1.274 121.600 120.570 -0.407 0.000 3.002 147 I HA 0.479 4.648 4.170 -0.001 0.000 0.310 147 I C -0.983 174.946 176.117 -0.314 0.000 1.087 147 I CA -0.900 60.284 61.300 -0.193 0.000 1.017 147 I CB 2.593 40.462 38.000 -0.218 0.000 1.226 147 I HN 0.336 nan 8.210 nan 0.000 0.443 148 T N 1.948 116.501 114.554 -0.002 0.000 2.821 148 T HA 0.198 4.547 4.350 -0.001 0.000 0.307 148 T C 1.097 175.871 174.700 0.123 0.000 1.034 148 T CA -0.174 61.965 62.100 0.065 0.000 0.953 148 T CB 1.215 70.225 68.868 0.236 0.000 0.968 148 T HN 0.831 nan 8.240 nan 0.000 0.462 149 S N 2.758 118.461 115.700 0.005 0.000 2.368 149 S HA -0.072 4.397 4.470 -0.001 0.000 0.225 149 S C 0.821 175.643 174.600 0.371 0.000 1.030 149 S CA 0.525 58.834 58.200 0.182 0.000 0.999 149 S CB -0.109 63.185 63.200 0.156 0.000 0.844 149 S HN 0.677 nan 8.310 nan 0.000 0.459 150 N N 1.498 120.349 118.700 0.253 0.000 2.399 150 N HA 0.194 4.933 4.740 -0.001 0.000 0.284 150 N C -1.914 173.757 175.510 0.267 0.000 1.025 150 N CA -0.427 52.783 53.050 0.266 0.000 0.885 150 N CB 1.044 39.667 38.487 0.228 0.000 1.339 150 N HN 0.241 nan 8.380 nan 0.000 0.487 151 N N 2.951 121.828 118.700 0.295 0.000 2.602 151 N HA 0.070 4.809 4.740 -0.001 0.000 0.238 151 N C 0.787 176.498 175.510 0.334 0.000 1.084 151 N CA -0.103 53.139 53.050 0.320 0.000 0.952 151 N CB 1.060 39.712 38.487 0.274 0.000 1.244 151 N HN 0.537 nan 8.380 nan 0.000 0.512 152 T N 0.773 115.556 114.554 0.381 0.000 2.778 152 T HA -0.091 4.258 4.350 -0.001 0.000 0.269 152 T C 1.882 176.727 174.700 0.242 0.000 1.050 152 T CA 1.004 63.306 62.100 0.336 0.000 1.137 152 T CB 0.208 69.316 68.868 0.400 0.000 0.860 152 T HN 0.443 nan 8.240 nan 0.000 0.468 153 I N -1.182 119.495 120.570 0.177 0.000 2.703 153 I HA 0.046 4.215 4.170 -0.001 0.000 0.259 153 I C 1.584 177.517 176.117 -0.306 0.000 1.151 153 I CA 0.877 62.098 61.300 -0.132 0.000 1.470 153 I CB 0.071 37.810 38.000 -0.434 0.000 1.112 153 I HN 0.196 nan 8.210 nan 0.000 0.437 154 Y N 0.241 120.564 120.300 0.038 0.000 2.497 154 Y HA 0.279 4.828 4.550 -0.001 0.000 0.265 154 Y C 1.774 177.773 175.900 0.165 0.000 1.111 154 Y CA 0.474 58.592 58.100 0.029 0.000 1.288 154 Y CB 0.519 39.041 38.460 0.103 0.000 1.082 154 Y HN 0.180 nan 8.280 nan 0.000 0.536 155 G N 1.316 110.289 108.800 0.289 0.000 2.149 155 G HA2 -0.251 3.708 3.960 -0.001 0.000 0.235 155 G HA3 -0.251 3.708 3.960 -0.001 0.000 0.235 155 G C 0.087 175.166 174.900 0.298 0.000 1.018 155 G CA 0.329 45.596 45.100 0.278 0.000 0.728 155 G HN 0.411 nan 8.290 nan 0.000 0.508 156 T N -3.096 111.633 114.554 0.292 0.000 2.932 156 T HA 0.787 5.136 4.350 -0.001 0.000 0.289 156 T C -0.613 174.220 174.700 0.222 0.000 1.039 156 T CA -0.209 62.029 62.100 0.230 0.000 1.024 156 T CB 2.847 71.840 68.868 0.209 0.000 1.090 156 T HN 0.727 nan 8.240 nan 0.000 0.496 157 Q N 0.631 120.535 119.800 0.174 0.000 2.320 157 Q HA 0.340 4.679 4.340 -0.001 0.000 0.272 157 Q C -1.731 174.370 176.000 0.168 0.000 1.023 157 Q CA -0.830 55.106 55.803 0.223 0.000 0.855 157 Q CB 1.787 30.645 28.738 0.201 0.000 1.367 157 Q HN 0.759 nan 8.270 nan 0.000 0.406 158 Y N 2.530 122.893 120.300 0.105 0.000 2.721 158 Y HA -0.105 4.444 4.550 -0.001 0.000 0.329 158 Y C 1.356 177.172 175.900 -0.139 0.000 1.211 158 Y CA 0.627 58.731 58.100 0.007 0.000 1.512 158 Y CB 0.639 39.082 38.460 -0.027 0.000 1.249 158 Y HN 0.600 nan 8.280 nan 0.000 0.549 159 Q N 2.114 121.890 119.800 -0.040 0.000 2.269 159 Q HA 0.017 4.356 4.340 -0.001 0.000 0.201 159 Q C 0.095 176.004 176.000 -0.151 0.000 0.946 159 Q CA 0.721 56.475 55.803 -0.082 0.000 0.877 159 Q CB 0.009 28.695 28.738 -0.086 0.000 0.963 159 Q HN 0.830 nan 8.270 nan 0.000 0.472 160 N N -1.514 117.069 118.700 -0.195 0.000 3.020 160 N HA 0.278 5.017 4.740 -0.001 0.000 0.248 160 N C -1.486 173.926 175.510 -0.164 0.000 1.480 160 N CA -0.547 52.379 53.050 -0.207 0.000 0.874 160 N CB 0.649 39.155 38.487 0.031 0.000 1.433 160 N HN -0.148 nan 8.380 nan 0.000 0.530 161 F N -0.080 120.057 119.950 0.312 0.000 2.546 161 F HA 0.569 5.095 4.527 -0.002 0.000 0.320 161 F C -1.901 173.795 175.800 -0.173 0.000 1.076 161 F CA -1.751 56.306 58.000 0.094 0.000 0.928 161 F CB 2.354 41.347 39.000 -0.012 0.000 1.189 161 F HN 0.196 nan 8.300 nan 0.000 0.465 162 P HA 0.054 nan 4.420 nan 0.000 0.274 162 P C -1.026 176.160 177.300 -0.190 0.000 1.231 162 P CA -0.264 62.511 63.100 -0.541 0.000 0.790 162 P CB 0.912 32.217 31.700 -0.659 0.000 0.951 163 E N 2.128 122.273 120.200 -0.092 0.000 2.152 163 E HA 0.292 4.641 4.350 -0.001 0.000 0.285 163 E C -0.297 176.293 176.600 -0.016 0.000 1.043 163 E CA -0.344 56.027 56.400 -0.048 0.000 0.839 163 E CB 0.541 30.239 29.700 -0.005 0.000 1.069 163 E HN 0.301 nan 8.360 nan 0.000 0.399 164 I N 3.281 123.842 120.570 -0.014 0.000 2.466 164 I HA 0.182 4.351 4.170 -0.001 0.000 0.289 164 I C 0.658 176.816 176.117 0.068 0.000 1.026 164 I CA -0.591 60.752 61.300 0.070 0.000 1.078 164 I CB 1.395 39.430 38.000 0.059 0.000 1.249 164 I HN 0.382 nan 8.210 nan 0.000 0.429 165 N N 3.360 122.140 118.700 0.133 0.000 2.145 165 N HA -0.016 4.723 4.740 -0.001 0.000 0.219 165 N C 1.307 176.877 175.510 0.100 0.000 1.266 165 N CA 0.096 53.192 53.050 0.078 0.000 0.902 165 N CB 0.560 39.080 38.487 0.056 0.000 1.078 165 N HN 0.654 nan 8.380 nan 0.000 0.513 166 H N 0.032 119.102 119.070 -0.001 0.000 2.544 166 H HA 0.464 5.019 4.556 -0.001 0.000 0.269 166 H C 0.150 175.475 175.328 -0.004 0.000 0.970 166 H CA 0.245 56.291 56.048 -0.003 0.000 1.219 166 H CB 0.533 30.294 29.762 -0.002 0.000 1.421 166 H HN 0.025 nan 8.280 nan 0.000 0.555 167 A N 1.048 123.558 122.820 -0.516 0.000 2.601 167 A HA 0.528 4.847 4.320 -0.001 0.000 0.291 167 A C -2.995 174.468 177.584 -0.202 0.000 1.075 167 A CA -1.510 50.264 52.037 -0.439 0.000 0.671 167 A CB 1.279 19.870 19.000 -0.681 0.000 1.277 167 A HN 0.081 nan 8.150 nan 0.000 0.417 168 P HA 0.408 nan 4.420 nan 0.000 0.276 168 P C -0.690 176.613 177.300 0.005 0.000 1.230 168 P CA -0.210 62.875 63.100 -0.024 0.000 0.776 168 P CB 0.579 32.283 31.700 0.007 0.000 0.888 169 L N 4.840 126.056 121.223 -0.011 0.000 2.319 169 L HA 0.310 4.649 4.340 -0.001 0.000 0.280 169 L C -0.594 176.328 176.870 0.087 0.000 1.099 169 L CA 0.082 54.920 54.840 -0.002 0.000 0.828 169 L CB -0.277 41.696 42.059 -0.144 0.000 1.150 169 L HN 0.179 nan 8.230 nan 0.000 0.442 170 I N 5.175 125.774 120.570 0.049 0.000 2.433 170 I HA 0.659 4.828 4.170 -0.001 0.000 0.292 170 I C -0.034 175.976 176.117 -0.179 0.000 1.001 170 I CA -0.699 60.597 61.300 -0.006 0.000 1.119 170 I CB 1.101 39.087 38.000 -0.023 0.000 1.289 170 I HN 0.743 nan 8.210 nan 0.000 0.438 171 A N 4.109 126.751 122.820 -0.296 0.000 2.374 171 A HA 0.475 4.795 4.320 -0.001 0.000 0.305 171 A C -0.759 176.376 177.584 -0.748 0.000 1.053 171 A CA -0.600 51.113 52.037 -0.541 0.000 0.726 171 A CB 1.228 19.857 19.000 -0.618 0.000 1.229 171 A HN 0.658 nan 8.150 nan 0.000 0.431 172 D N 3.053 122.981 120.400 -0.786 0.000 2.359 172 D HA 0.263 4.903 4.640 -0.001 0.000 0.250 172 D C 0.314 176.313 176.300 -0.502 0.000 1.264 172 D CA 0.232 53.694 54.000 -0.897 0.000 0.911 172 D CB 0.227 40.863 40.800 -0.274 0.000 1.056 172 D HN 0.443 nan 8.370 nan 0.000 0.499 173 M N 2.419 121.714 119.600 -0.509 0.000 2.655 173 M HA 0.058 4.537 4.480 -0.001 0.000 0.311 173 M C 1.597 177.777 176.300 -0.200 0.000 1.229 173 M CA -0.376 54.750 55.300 -0.289 0.000 0.972 173 M CB 0.422 32.830 32.600 -0.319 0.000 1.366 173 M HN 0.162 nan 8.290 nan 0.000 0.500 174 S N 1.184 116.753 115.700 -0.219 0.000 2.372 174 S HA -0.154 4.315 4.470 -0.001 0.000 0.227 174 S C 1.803 176.318 174.600 -0.142 0.000 1.044 174 S CA 2.246 60.333 58.200 -0.189 0.000 1.050 174 S CB -0.160 62.891 63.200 -0.248 0.000 0.901 174 S HN 0.691 nan 8.310 nan 0.000 0.447 175 S N 0.642 116.310 115.700 -0.053 0.000 2.572 175 S HA 0.150 4.619 4.470 -0.001 0.000 0.228 175 S C 0.363 175.063 174.600 0.166 0.000 0.963 175 S CA 0.219 58.461 58.200 0.070 0.000 0.939 175 S CB 0.118 63.460 63.200 0.237 0.000 0.804 175 S HN 0.633 nan 8.310 nan 0.000 0.480 176 D N -0.105 120.346 120.400 0.085 0.000 2.530 176 D HA 0.174 4.813 4.640 -0.001 0.000 0.253 176 D C 0.028 176.362 176.300 0.057 0.000 1.338 176 D CA -0.630 53.444 54.000 0.124 0.000 0.806 176 D CB -0.798 40.101 40.800 0.166 0.000 1.160 176 D HN 0.342 nan 8.370 nan 0.000 0.514 177 I N 1.744 122.303 120.570 -0.018 0.000 2.752 177 I HA 0.080 4.249 4.170 -0.001 0.000 0.289 177 I C 0.822 176.932 176.117 -0.011 0.000 1.197 177 I CA -0.024 61.245 61.300 -0.051 0.000 1.432 177 I CB 0.248 38.187 38.000 -0.101 0.000 1.359 177 I HN 0.153 nan 8.210 nan 0.000 0.571 178 L N 5.447 126.665 121.223 -0.008 0.000 3.865 178 L HA -0.242 4.097 4.340 -0.001 0.000 0.408 178 L C 1.322 178.218 176.870 0.043 0.000 1.209 178 L CA 1.676 56.521 54.840 0.009 0.000 0.940 178 L CB -2.268 39.791 42.059 0.000 0.000 1.971 178 L HN 0.931 nan 8.230 nan 0.000 0.899 179 S N -1.368 114.372 115.700 0.067 0.000 2.556 179 S HA 0.392 4.861 4.470 -0.001 0.000 0.216 179 S C 0.665 175.312 174.600 0.079 0.000 0.970 179 S CA 0.205 58.462 58.200 0.094 0.000 0.912 179 S CB 0.204 63.484 63.200 0.134 0.000 0.790 179 S HN 0.782 nan 8.310 nan 0.000 0.504 180 R N -1.288 119.252 120.500 0.066 0.000 2.741 180 R HA 0.519 4.858 4.340 -0.001 0.000 0.276 180 R C -3.706 172.628 176.300 0.057 0.000 1.028 180 R CA -1.756 54.382 56.100 0.063 0.000 0.865 180 R CB -0.666 29.686 30.300 0.087 0.000 1.268 180 R HN -0.081 nan 8.270 nan 0.000 0.475 181 P HA 0.199 nan 4.420 nan 0.000 0.272 181 P C -1.242 176.111 177.300 0.088 0.000 1.223 181 P CA -0.457 62.673 63.100 0.049 0.000 0.784 181 P CB 0.479 32.205 31.700 0.042 0.000 0.923 182 L N 1.644 122.911 121.223 0.073 0.000 2.455 182 L HA 0.427 4.766 4.340 -0.001 0.000 0.264 182 L C -0.452 176.474 176.870 0.093 0.000 0.968 182 L CA -0.726 54.182 54.840 0.113 0.000 0.827 182 L CB 2.010 44.087 42.059 0.030 0.000 1.317 182 L HN 0.160 nan 8.230 nan 0.000 0.407 183 K N 3.693 124.190 120.400 0.162 0.000 2.206 183 K HA 0.295 4.614 4.320 -0.001 0.000 0.268 183 K C 0.492 177.165 176.600 0.122 0.000 1.111 183 K CA -0.247 56.101 56.287 0.102 0.000 0.955 183 K CB 0.710 33.264 32.500 0.091 0.000 1.406 183 K HN 0.645 nan 8.250 nan 0.000 0.427 184 V N 2.875 122.793 119.914 0.007 0.000 2.568 184 V HA -0.286 3.833 4.120 -0.001 0.000 0.253 184 V C 1.531 177.586 176.094 -0.064 0.000 1.072 184 V CA 2.060 64.310 62.300 -0.084 0.000 1.084 184 V CB -0.837 30.755 31.823 -0.386 0.000 0.676 184 V HN 0.817 nan 8.190 nan 0.000 0.469 185 N N -0.085 118.589 118.700 -0.045 0.000 2.521 185 N HA -0.125 4.614 4.740 -0.001 0.000 0.188 185 N C 1.474 177.008 175.510 0.040 0.000 1.146 185 N CA 0.535 53.630 53.050 0.075 0.000 0.893 185 N CB -0.459 38.089 38.487 0.101 0.000 0.975 185 N HN 0.518 nan 8.380 nan 0.000 0.451 186 Q N -0.911 118.841 119.800 -0.080 0.000 2.369 186 Q HA 0.075 4.414 4.340 -0.001 0.000 0.206 186 Q C -0.545 175.138 176.000 -0.528 0.000 0.963 186 Q CA 0.671 56.250 55.803 -0.373 0.000 0.894 186 Q CB 0.030 28.383 28.738 -0.641 0.000 0.965 186 Q HN 0.415 nan 8.270 nan 0.000 0.475 187 F N -2.298 117.629 119.950 -0.038 0.000 2.538 187 F HA 0.413 4.939 4.527 -0.001 0.000 0.325 187 F C 1.217 177.073 175.800 0.094 0.000 1.066 187 F CA -0.898 57.078 58.000 -0.040 0.000 0.946 187 F CB 1.108 40.024 39.000 -0.141 0.000 1.199 187 F HN -0.222 nan 8.300 nan 0.000 0.473 188 G N 0.861 109.788 108.800 0.211 0.000 2.426 188 G HA2 0.129 4.088 3.960 -0.001 0.000 0.214 188 G HA3 0.129 4.088 3.960 -0.001 0.000 0.214 188 G C 0.104 175.068 174.900 0.106 0.000 1.156 188 G CA 0.375 45.542 45.100 0.112 0.000 0.802 188 G HN 0.448 nan 8.290 nan 0.000 0.534 189 M N 0.163 119.821 119.600 0.097 0.000 2.365 189 M HA 0.492 4.971 4.480 -0.001 0.000 0.288 189 M C -2.354 173.910 176.300 -0.059 0.000 1.152 189 M CA -0.542 54.764 55.300 0.010 0.000 0.948 189 M CB 2.183 34.725 32.600 -0.096 0.000 1.729 189 M HN -0.077 nan 8.290 nan 0.000 0.487 190 I N 5.248 125.739 120.570 -0.131 0.000 2.465 190 I HA 0.512 4.681 4.170 -0.001 0.000 0.291 190 I C -1.405 174.657 176.117 -0.092 0.000 1.014 190 I CA -0.720 60.408 61.300 -0.286 0.000 1.093 190 I CB 2.158 39.863 38.000 -0.492 0.000 1.267 190 I HN 0.694 nan 8.210 nan 0.000 0.431 191 Y N 4.351 124.547 120.300 -0.174 0.000 2.545 191 Y HA 0.939 5.488 4.550 -0.002 0.000 0.348 191 Y C -0.945 174.885 175.900 -0.117 0.000 1.002 191 Y CA -1.364 56.671 58.100 -0.109 0.000 1.039 191 Y CB 1.786 40.216 38.460 -0.050 0.000 1.271 191 Y HN 0.536 nan 8.280 nan 0.000 0.467 192 A N 1.570 124.405 122.820 0.025 0.000 2.480 192 A HA 0.639 4.958 4.320 -0.001 0.000 0.289 192 A C -0.239 177.322 177.584 -0.039 0.000 1.044 192 A CA -0.356 51.636 52.037 -0.074 0.000 0.761 192 A CB 0.522 19.451 19.000 -0.118 0.000 1.289 192 A HN 1.545 nan 8.150 nan 0.000 0.401 193 G N 0.775 109.525 108.800 -0.083 0.000 2.432 193 G HA2 0.512 4.472 3.960 -0.001 0.000 0.239 193 G HA3 0.512 4.472 3.960 -0.001 0.000 0.239 193 G C 1.044 175.875 174.900 -0.115 0.000 1.291 193 G CA 0.320 45.358 45.100 -0.103 0.000 0.863 193 G HN 1.772 nan 8.290 nan 0.000 0.560 194 A N 1.865 124.626 122.820 -0.099 0.000 2.066 194 A HA -0.049 4.270 4.320 -0.001 0.000 0.218 194 A C 2.228 179.723 177.584 -0.147 0.000 1.157 194 A CA 1.479 53.448 52.037 -0.114 0.000 0.670 194 A CB -0.137 18.798 19.000 -0.109 0.000 0.804 194 A HN 0.735 nan 8.150 nan 0.000 0.453 195 Q N 0.330 120.042 119.800 -0.147 0.000 2.515 195 Q HA -0.064 4.275 4.340 -0.001 0.000 0.212 195 Q C 0.886 176.747 176.000 -0.231 0.000 0.970 195 Q CA 1.170 56.883 55.803 -0.151 0.000 0.941 195 Q CB -0.191 28.484 28.738 -0.104 0.000 0.998 195 Q HN 0.705 nan 8.270 nan 0.000 0.518 196 K N 0.023 120.222 120.400 -0.335 0.000 2.240 196 K HA 0.101 4.421 4.320 -0.001 0.000 0.202 196 K C 0.882 177.006 176.600 -0.792 0.000 1.053 196 K CA 0.810 56.681 56.287 -0.694 0.000 0.973 196 K CB 0.336 32.396 32.500 -0.733 0.000 0.924 196 K HN 0.097 nan 8.250 nan 0.000 0.477 197 N N -0.182 118.265 118.700 -0.422 0.000 2.118 197 N HA 0.220 4.959 4.740 -0.001 0.000 0.226 197 N C 0.346 175.802 175.510 -0.091 0.000 1.305 197 N CA 0.060 52.980 53.050 -0.217 0.000 0.890 197 N CB 0.905 39.322 38.487 -0.117 0.000 1.118 197 N HN -0.025 nan 8.380 nan 0.000 0.511 198 L N -1.331 119.820 121.223 -0.120 0.000 3.086 198 L HA 0.545 4.884 4.340 -0.001 0.000 0.274 198 L C 0.784 177.590 176.870 -0.107 0.000 1.184 198 L CA 0.132 54.924 54.840 -0.079 0.000 1.002 198 L CB 0.771 42.784 42.059 -0.077 0.000 1.383 198 L HN 0.197 nan 8.230 nan 0.000 0.582 199 G N 0.658 109.380 108.800 -0.131 0.000 2.295 199 G HA2 -0.023 3.936 3.960 -0.001 0.000 0.155 199 G HA3 -0.023 3.936 3.960 -0.001 0.000 0.155 199 G C -3.115 171.708 174.900 -0.129 0.000 1.307 199 G CA -0.475 44.538 45.100 -0.144 0.000 1.140 199 G HN -0.164 nan 8.290 nan 0.000 0.470 200 P HA 0.482 nan 4.420 nan 0.000 0.283 200 P C 0.220 177.477 177.300 -0.072 0.000 1.278 200 P CA 0.154 63.207 63.100 -0.077 0.000 0.834 200 P CB 1.618 33.284 31.700 -0.056 0.000 1.150 201 S N -1.423 114.250 115.700 -0.045 0.000 2.600 201 S HA 0.463 4.932 4.470 -0.001 0.000 0.265 201 S C 1.209 175.790 174.600 -0.032 0.000 1.325 201 S CA 0.504 58.679 58.200 -0.042 0.000 1.002 201 S CB -0.312 62.873 63.200 -0.025 0.000 0.921 201 S HN 0.991 nan 8.310 nan 0.000 0.554 202 G N -0.941 107.838 108.800 -0.036 0.000 2.218 202 G HA2 -0.153 3.806 3.960 -0.001 0.000 0.216 202 G HA3 -0.153 3.806 3.960 -0.001 0.000 0.216 202 G C -0.112 174.769 174.900 -0.032 0.000 0.994 202 G CA -0.020 45.064 45.100 -0.026 0.000 0.637 202 G HN 1.540 nan 8.290 nan 0.000 0.505 203 V N 0.721 120.607 119.914 -0.047 0.000 2.925 203 V HA 0.848 4.967 4.120 -0.001 0.000 0.311 203 V C -0.744 175.332 176.094 -0.029 0.000 1.104 203 V CA 0.290 62.569 62.300 -0.036 0.000 0.954 203 V CB 2.402 34.182 31.823 -0.071 0.000 1.022 203 V HN 0.384 nan 8.190 nan 0.000 0.427 204 T N 4.773 119.334 114.554 0.012 0.000 2.809 204 T HA 0.526 4.875 4.350 -0.001 0.000 0.284 204 T C -0.701 174.060 174.700 0.103 0.000 0.992 204 T CA -0.267 61.846 62.100 0.022 0.000 0.957 204 T CB 1.438 70.300 68.868 -0.011 0.000 0.942 204 T HN 0.519 nan 8.240 nan 0.000 0.439 205 V N 4.336 124.313 119.914 0.106 0.000 2.432 205 V HA 0.441 4.560 4.120 -0.001 0.000 0.275 205 V C -0.106 176.043 176.094 0.092 0.000 1.043 205 V CA -0.507 61.889 62.300 0.159 0.000 0.925 205 V CB 1.392 33.297 31.823 0.137 0.000 0.985 205 V HN 0.684 nan 8.190 nan 0.000 0.466 206 V N 6.761 126.712 119.914 0.063 0.000 2.443 206 V HA 0.488 4.607 4.120 -0.001 0.000 0.293 206 V C -0.299 175.786 176.094 -0.015 0.000 1.021 206 V CA -0.394 61.936 62.300 0.049 0.000 0.848 206 V CB 1.640 33.515 31.823 0.086 0.000 0.998 206 V HN 0.680 nan 8.190 nan 0.000 0.424 207 I N 6.050 126.603 120.570 -0.029 0.000 2.321 207 I HA 0.588 4.757 4.170 -0.001 0.000 0.291 207 I C -0.227 175.917 176.117 0.045 0.000 0.998 207 I CA -0.708 60.580 61.300 -0.021 0.000 1.227 207 I CB 1.693 39.646 38.000 -0.078 0.000 1.368 207 I HN 0.533 nan 8.210 nan 0.000 0.466 208 V N 2.663 122.625 119.914 0.080 0.000 2.735 208 V HA 0.498 4.617 4.120 -0.001 0.000 0.310 208 V C -0.321 175.754 176.094 -0.032 0.000 1.061 208 V CA -1.149 61.157 62.300 0.010 0.000 0.913 208 V CB 1.716 33.459 31.823 -0.133 0.000 1.005 208 V HN 0.701 nan 8.190 nan 0.000 0.428 209 K N 3.021 123.288 120.400 -0.222 0.000 2.363 209 K HA 0.250 4.569 4.320 -0.001 0.000 0.289 209 K C 1.007 177.408 176.600 -0.332 0.000 1.063 209 K CA -0.073 55.832 56.287 -0.636 0.000 0.967 209 K CB 0.627 32.771 32.500 -0.593 0.000 0.987 209 K HN 0.816 nan 8.250 nan 0.000 0.473 210 K N 2.146 122.375 120.400 -0.284 0.000 2.063 210 K HA -0.205 4.114 4.320 -0.001 0.000 0.208 210 K C 1.132 177.658 176.600 -0.124 0.000 1.048 210 K CA 2.150 58.348 56.287 -0.149 0.000 0.928 210 K CB -0.003 32.433 32.500 -0.105 0.000 0.713 210 K HN 0.721 nan 8.250 nan 0.000 0.442 211 D N 0.690 121.004 120.400 -0.143 0.000 2.317 211 D HA -0.140 4.499 4.640 -0.001 0.000 0.211 211 D C 1.709 177.957 176.300 -0.087 0.000 0.966 211 D CA 0.385 54.327 54.000 -0.097 0.000 0.876 211 D CB -0.208 40.538 40.800 -0.089 0.000 0.927 211 D HN 0.078 nan 8.370 nan 0.000 0.519 212 L N -0.808 120.347 121.223 -0.113 0.000 2.217 212 L HA 0.202 4.541 4.340 -0.001 0.000 0.211 212 L C 1.252 178.084 176.870 -0.063 0.000 1.107 212 L CA 1.478 56.266 54.840 -0.087 0.000 0.783 212 L CB -0.001 41.993 42.059 -0.108 0.000 0.919 212 L HN 0.174 nan 8.230 nan 0.000 0.442 213 L N -0.519 120.663 121.223 -0.069 0.000 3.519 213 L HA 0.185 4.524 4.340 -0.001 0.000 0.323 213 L C 0.504 177.380 176.870 0.009 0.000 1.289 213 L CA -0.036 54.786 54.840 -0.030 0.000 1.039 213 L CB 0.071 42.065 42.059 -0.108 0.000 1.438 213 L HN 0.289 nan 8.230 nan 0.000 0.619 214 N N -0.598 118.095 118.700 -0.012 0.000 2.362 214 N HA 0.080 4.819 4.740 -0.001 0.000 0.204 214 N C 0.327 175.837 175.510 -0.000 0.000 1.166 214 N CA 0.371 53.421 53.050 0.000 0.000 0.831 214 N CB -0.235 38.243 38.487 -0.015 0.000 1.008 214 N HN 0.195 nan 8.380 nan 0.000 0.472 215 T N -1.296 113.261 114.554 0.005 0.000 2.823 215 T HA 0.633 4.982 4.350 -0.001 0.000 0.279 215 T C 0.169 174.872 174.700 0.005 0.000 0.998 215 T CA -0.701 61.399 62.100 0.001 0.000 0.994 215 T CB 0.690 69.557 68.868 -0.002 0.000 0.960 215 T HN 0.459 nan 8.240 nan 0.000 0.448 216 K N 1.779 122.175 120.400 -0.008 0.000 2.484 216 K HA 0.541 4.860 4.320 -0.001 0.000 0.280 216 K C 0.017 176.615 176.600 -0.004 0.000 1.013 216 K CA -0.192 56.086 56.287 -0.015 0.000 1.029 216 K CB -0.329 32.157 32.500 -0.023 0.000 0.902 216 K HN 0.757 nan 8.250 nan 0.000 0.481 217 V N 2.206 122.118 119.914 -0.004 0.000 2.350 217 V HA 0.505 4.624 4.120 -0.001 0.000 0.276 217 V C 0.854 176.945 176.094 -0.006 0.000 1.028 217 V CA -0.687 61.616 62.300 0.005 0.000 0.860 217 V CB 0.461 32.295 31.823 0.020 0.000 0.990 217 V HN 1.043 nan 8.190 nan 0.000 0.453 218 E N 3.441 123.640 120.200 -0.002 0.000 2.465 218 E HA 0.161 4.510 4.350 -0.001 0.000 0.260 218 E C 0.781 177.379 176.600 -0.003 0.000 0.980 218 E CA 0.560 56.958 56.400 -0.004 0.000 0.927 218 E CB 0.126 29.825 29.700 -0.001 0.000 0.934 218 E HN 0.865 nan 8.360 nan 0.000 0.459 219 Q N -0.864 118.931 119.800 -0.008 0.000 2.360 219 Q HA -0.154 4.185 4.340 -0.001 0.000 0.192 219 Q C -0.596 175.398 176.000 -0.010 0.000 0.615 219 Q CA 0.913 56.713 55.803 -0.006 0.000 1.355 219 Q CB -1.595 27.143 28.738 0.001 0.000 1.324 219 Q HN 0.633 nan 8.270 nan 0.000 0.885 220 V N 2.234 122.137 119.914 -0.019 0.000 2.427 220 V HA 0.383 4.502 4.120 -0.001 0.000 0.286 220 V C -2.001 174.066 176.094 -0.045 0.000 1.034 220 V CA -1.203 61.080 62.300 -0.028 0.000 0.893 220 V CB 1.437 33.242 31.823 -0.030 0.000 0.982 220 V HN 0.071 nan 8.190 nan 0.000 0.452 221 P HA 0.034 nan 4.420 nan 0.000 0.263 221 P C 1.126 178.375 177.300 -0.086 0.000 1.175 221 P CA 0.395 63.467 63.100 -0.047 0.000 0.761 221 P CB 0.390 32.071 31.700 -0.032 0.000 0.794 222 T N 2.078 116.570 114.554 -0.104 0.000 2.653 222 T HA -0.210 4.139 4.350 -0.001 0.000 0.268 222 T C 1.703 176.230 174.700 -0.287 0.000 1.035 222 T CA 1.431 63.405 62.100 -0.210 0.000 1.154 222 T CB -0.431 68.314 68.868 -0.205 0.000 0.862 222 T HN 0.387 nan 8.240 nan 0.000 0.441 223 M N 0.394 119.906 119.600 -0.147 0.000 2.374 223 M HA 0.131 4.611 4.480 -0.001 0.000 0.264 223 M C 1.723 178.042 176.300 0.032 0.000 1.067 223 M CA 1.082 56.363 55.300 -0.031 0.000 1.103 223 M CB -0.882 31.764 32.600 0.077 0.000 1.402 223 M HN 0.281 nan 8.290 nan 0.000 0.444 224 L N -0.828 120.352 121.223 -0.071 0.000 2.607 224 L HA 0.096 4.435 4.340 -0.001 0.000 0.228 224 L C 0.384 177.136 176.870 -0.196 0.000 1.123 224 L CA -0.110 54.658 54.840 -0.120 0.000 0.890 224 L CB 0.013 42.014 42.059 -0.096 0.000 1.103 224 L HN 0.218 nan 8.230 nan 0.000 0.468 225 Q N -0.959 118.735 119.800 -0.177 0.000 2.274 225 Q HA 0.124 4.463 4.340 -0.001 0.000 0.256 225 Q C 0.115 176.032 176.000 -0.140 0.000 0.927 225 Q CA -0.332 55.372 55.803 -0.165 0.000 0.939 225 Q CB 1.100 29.754 28.738 -0.140 0.000 1.201 225 Q HN 0.154 nan 8.270 nan 0.000 0.426 226 Y N 1.282 121.600 120.300 0.030 0.000 2.256 226 Y HA -0.306 4.243 4.550 -0.002 0.000 0.288 226 Y C 2.251 178.160 175.900 0.015 0.000 1.155 226 Y CA 1.288 59.426 58.100 0.063 0.000 1.203 226 Y CB -0.073 38.397 38.460 0.017 0.000 0.980 226 Y HN 0.830 nan 8.280 nan 0.000 0.530 227 A N -0.269 122.606 122.820 0.091 0.000 1.948 227 A HA -0.246 4.073 4.320 -0.001 0.000 0.220 227 A C 2.264 179.801 177.584 -0.078 0.000 1.177 227 A CA 2.344 54.386 52.037 0.010 0.000 0.636 227 A CB -1.261 17.728 19.000 -0.019 0.000 0.815 227 A HN 0.428 nan 8.150 nan 0.000 0.449 228 T N -0.573 113.845 114.554 -0.226 0.000 2.652 228 T HA -0.167 4.182 4.350 -0.001 0.000 0.267 228 T C 1.792 176.260 174.700 -0.388 0.000 1.039 228 T CA 1.695 63.519 62.100 -0.459 0.000 1.153 228 T CB -0.501 67.847 68.868 -0.867 0.000 0.863 228 T HN 0.674 nan 8.240 nan 0.000 0.428 229 H N 0.184 119.231 119.070 -0.039 0.000 2.436 229 H HA 0.185 4.740 4.556 -0.002 0.000 0.294 229 H C 2.390 177.753 175.328 0.057 0.000 1.048 229 H CA 0.721 56.793 56.048 0.039 0.000 1.353 229 H CB -0.292 29.498 29.762 0.047 0.000 1.414 229 H HN 0.342 nan 8.280 nan 0.000 0.536 230 I N 1.042 121.694 120.570 0.137 0.000 2.142 230 I HA -0.234 3.935 4.170 -0.001 0.000 0.240 230 I C 2.547 178.700 176.117 0.059 0.000 1.078 230 I CA 1.123 62.474 61.300 0.086 0.000 1.343 230 I CB -0.128 37.910 38.000 0.063 0.000 1.046 230 I HN 0.076 nan 8.210 nan 0.000 0.405 231 K N 0.557 120.975 120.400 0.030 0.000 2.103 231 K HA -0.149 4.170 4.320 -0.001 0.000 0.207 231 K C 1.946 178.580 176.600 0.058 0.000 1.048 231 K CA 1.901 58.204 56.287 0.028 0.000 0.930 231 K CB -0.189 32.311 32.500 -0.000 0.000 0.716 231 K HN 0.409 nan 8.250 nan 0.000 0.444 232 S N 0.182 115.932 115.700 0.083 0.000 2.597 232 S HA -0.008 4.461 4.470 -0.001 0.000 0.224 232 S C 0.101 174.793 174.600 0.152 0.000 0.955 232 S CA 0.147 58.424 58.200 0.129 0.000 0.933 232 S CB 0.151 63.467 63.200 0.192 0.000 0.788 232 S HN 0.259 nan 8.310 nan 0.000 0.488 233 D N 1.380 121.869 120.400 0.147 0.000 2.701 233 D HA -0.204 4.435 4.640 -0.001 0.000 0.235 233 D C 0.125 176.591 176.300 0.277 0.000 1.155 233 D CA 0.907 55.019 54.000 0.187 0.000 0.649 233 D CB -2.073 38.851 40.800 0.207 0.000 1.050 233 D HN 0.447 nan 8.370 nan 0.000 0.425 234 S N -2.064 113.798 115.700 0.270 0.000 3.561 234 S HA -0.249 4.220 4.470 -0.001 0.000 0.318 234 S C 0.872 175.651 174.600 0.298 0.000 1.181 234 S CA 0.868 59.265 58.200 0.327 0.000 0.916 234 S CB -1.387 62.022 63.200 0.350 0.000 0.966 234 S HN 0.601 nan 8.310 nan 0.000 0.550 235 L N -0.385 120.982 121.223 0.240 0.000 3.202 235 L HA 0.302 4.641 4.340 -0.001 0.000 0.278 235 L C 1.375 178.357 176.870 0.186 0.000 1.268 235 L CA -0.245 54.703 54.840 0.179 0.000 1.034 235 L CB -0.068 42.063 42.059 0.120 0.000 1.407 235 L HN 0.395 nan 8.230 nan 0.000 0.581 236 Y N 2.068 122.439 120.300 0.119 0.000 2.145 236 Y HA -0.151 4.399 4.550 -0.001 0.000 0.286 236 Y C 1.456 177.388 175.900 0.054 0.000 1.145 236 Y CA 1.460 59.594 58.100 0.057 0.000 1.148 236 Y CB 0.270 38.717 38.460 -0.021 0.000 0.981 236 Y HN 0.491 nan 8.280 nan 0.000 0.507 237 N N -1.417 117.273 118.700 -0.015 0.000 3.100 237 N HA 0.152 4.891 4.740 -0.001 0.000 0.344 237 N C -1.014 174.399 175.510 -0.161 0.000 1.413 237 N CA -0.263 52.692 53.050 -0.157 0.000 0.752 237 N CB 0.326 38.767 38.487 -0.077 0.000 1.519 237 N HN -0.073 nan 8.380 nan 0.000 0.620 238 T N 2.398 116.800 114.554 -0.253 0.000 2.799 238 T HA 0.284 4.633 4.350 -0.001 0.000 0.296 238 T C -2.115 172.405 174.700 -0.299 0.000 0.947 238 T CA -0.457 61.344 62.100 -0.499 0.000 1.141 238 T CB 0.495 69.114 68.868 -0.416 0.000 0.891 238 T HN 0.455 nan 8.240 nan 0.000 0.533 239 P HA 0.278 nan 4.420 nan 0.000 0.276 239 P C -2.702 174.533 177.300 -0.108 0.000 1.261 239 P CA -2.073 60.973 63.100 -0.090 0.000 0.800 239 P CB -0.169 31.561 31.700 0.051 0.000 1.066 240 P HA 0.034 nan 4.420 nan 0.000 0.252 240 P C 1.049 178.353 177.300 0.008 0.000 1.727 240 P CA 0.062 63.151 63.100 -0.019 0.000 1.134 240 P CB -0.578 31.121 31.700 -0.003 0.000 1.876 241 T N -0.679 113.839 114.554 -0.061 0.000 2.746 241 T HA -0.209 4.140 4.350 -0.001 0.000 0.267 241 T C 1.445 176.226 174.700 0.136 0.000 1.039 241 T CA 0.806 62.883 62.100 -0.040 0.000 1.142 241 T CB -1.061 67.577 68.868 -0.384 0.000 0.866 241 T HN 0.102 nan 8.240 nan 0.000 0.444 242 F N 2.137 122.066 119.950 -0.035 0.000 2.186 242 F HA 0.071 4.597 4.527 -0.002 0.000 0.299 242 F C 2.586 178.427 175.800 0.068 0.000 1.090 242 F CA 0.858 58.863 58.000 0.009 0.000 1.307 242 F CB -0.488 38.486 39.000 -0.044 0.000 1.019 242 F HN 0.116 nan 8.300 nan 0.000 0.489 243 S N 0.650 116.367 115.700 0.029 0.000 2.368 243 S HA -0.166 4.303 4.470 -0.001 0.000 0.225 243 S C 2.146 176.634 174.600 -0.187 0.000 1.030 243 S CA 1.616 59.762 58.200 -0.090 0.000 0.999 243 S CB -0.450 62.725 63.200 -0.042 0.000 0.844 243 S HN 0.385 nan 8.310 nan 0.000 0.459 244 I N 0.108 120.601 120.570 -0.128 0.000 2.353 244 I HA -0.168 4.001 4.170 -0.001 0.000 0.248 244 I C 2.239 178.227 176.117 -0.215 0.000 1.119 244 I CA 1.175 62.324 61.300 -0.251 0.000 1.417 244 I CB -0.355 37.568 38.000 -0.129 0.000 1.078 244 I HN 0.321 nan 8.210 nan 0.000 0.421 245 Y N 1.460 121.612 120.300 -0.246 0.000 2.097 245 Y HA -0.295 4.254 4.550 -0.001 0.000 0.282 245 Y C 2.578 178.253 175.900 -0.375 0.000 1.152 245 Y CA 1.748 59.663 58.100 -0.307 0.000 1.136 245 Y CB -0.132 38.105 38.460 -0.372 0.000 0.975 245 Y HN -0.014 nan 8.280 nan 0.000 0.498 246 M N -0.266 118.973 119.600 -0.601 0.000 2.159 246 M HA -0.154 4.325 4.480 -0.001 0.000 0.263 246 M C 2.274 178.324 176.300 -0.417 0.000 1.063 246 M CA 1.317 56.253 55.300 -0.607 0.000 1.110 246 M CB -1.396 30.915 32.600 -0.481 0.000 1.374 246 M HN 0.538 nan 8.290 nan 0.000 0.411 247 L N 0.510 121.525 121.223 -0.346 0.000 2.042 247 L HA -0.176 4.163 4.340 -0.001 0.000 0.210 247 L C 2.667 179.389 176.870 -0.246 0.000 1.076 247 L CA 1.864 56.538 54.840 -0.276 0.000 0.749 247 L CB -0.675 41.189 42.059 -0.326 0.000 0.893 247 L HN 0.175 nan 8.230 nan 0.000 0.432 248 R N 0.069 120.394 120.500 -0.291 0.000 2.083 248 R HA -0.194 4.145 4.340 -0.001 0.000 0.237 248 R C 2.008 178.186 176.300 -0.202 0.000 1.137 248 R CA 1.998 57.968 56.100 -0.218 0.000 0.951 248 R CB -0.818 29.356 30.300 -0.209 0.000 0.851 248 R HN 0.496 nan 8.270 nan 0.000 0.434 249 N N 0.078 118.580 118.700 -0.331 0.000 2.166 249 N HA -0.118 4.621 4.740 -0.001 0.000 0.186 249 N C 1.797 177.242 175.510 -0.108 0.000 1.019 249 N CA 1.158 54.052 53.050 -0.261 0.000 0.856 249 N CB -0.308 37.932 38.487 -0.411 0.000 0.993 249 N HN 0.035 nan 8.380 nan 0.000 0.426 250 V N 1.155 120.997 119.914 -0.121 0.000 2.323 250 V HA -0.107 4.012 4.120 -0.001 0.000 0.244 250 V C 2.279 178.453 176.094 0.133 0.000 1.041 250 V CA 1.003 63.306 62.300 0.006 0.000 1.025 250 V CB -0.492 31.297 31.823 -0.056 0.000 0.656 250 V HN 0.231 nan 8.190 nan 0.000 0.451 251 L N -0.228 121.014 121.223 0.032 0.000 2.079 251 L HA -0.231 4.108 4.340 -0.001 0.000 0.210 251 L C 2.391 179.285 176.870 0.039 0.000 1.081 251 L CA 1.647 56.507 54.840 0.035 0.000 0.752 251 L CB -0.750 41.303 42.059 -0.009 0.000 0.896 251 L HN 0.346 nan 8.230 nan 0.000 0.433 252 D N -0.818 119.602 120.400 0.033 0.000 2.144 252 D HA -0.238 4.401 4.640 -0.001 0.000 0.199 252 D C 1.770 178.114 176.300 0.074 0.000 0.984 252 D CA 1.117 55.137 54.000 0.033 0.000 0.834 252 D CB -0.119 40.693 40.800 0.020 0.000 0.955 252 D HN 0.469 nan 8.370 nan 0.000 0.465 253 W N 1.459 122.724 121.300 -0.058 0.000 2.388 253 W HA -0.063 4.596 4.660 -0.002 0.000 0.294 253 W C 2.004 178.504 176.519 -0.032 0.000 1.212 253 W CA 0.918 58.238 57.345 -0.043 0.000 1.271 253 W CB -0.405 29.026 29.460 -0.049 0.000 1.126 253 W HN -0.137 nan 8.180 nan 0.000 0.535 254 I N 1.011 121.493 120.570 -0.148 0.000 2.252 254 I HA -0.301 3.868 4.170 -0.001 0.000 0.245 254 I C 2.579 178.513 176.117 -0.305 0.000 1.102 254 I CA 1.837 62.899 61.300 -0.397 0.000 1.385 254 I CB -0.717 37.219 38.000 -0.107 0.000 1.064 254 I HN -0.014 nan 8.210 nan 0.000 0.414 255 K N 1.034 121.339 120.400 -0.159 0.000 2.057 255 K HA -0.222 4.097 4.320 -0.001 0.000 0.207 255 K C 1.620 178.130 176.600 -0.150 0.000 1.049 255 K CA 1.856 58.069 56.287 -0.124 0.000 0.931 255 K CB -0.038 32.423 32.500 -0.065 0.000 0.714 255 K HN 0.183 nan 8.250 nan 0.000 0.440 256 D N 0.657 120.960 120.400 -0.163 0.000 2.182 256 D HA -0.136 4.503 4.640 -0.001 0.000 0.201 256 D C 1.430 177.607 176.300 -0.206 0.000 0.986 256 D CA 0.899 54.812 54.000 -0.145 0.000 0.847 256 D CB 0.055 40.798 40.800 -0.094 0.000 0.942 256 D HN 0.176 nan 8.370 nan 0.000 0.467 257 L N -0.988 120.022 121.223 -0.355 0.000 2.591 257 L HA 0.270 4.609 4.340 -0.001 0.000 0.228 257 L C 1.616 178.352 176.870 -0.224 0.000 1.133 257 L CA 0.508 55.147 54.840 -0.335 0.000 0.880 257 L CB 0.112 41.833 42.059 -0.564 0.000 1.033 257 L HN 0.159 nan 8.230 nan 0.000 0.450 258 G N -2.310 106.381 108.800 -0.181 0.000 2.175 258 G HA2 0.124 4.084 3.960 -0.001 0.000 0.182 258 G HA3 0.124 4.084 3.960 -0.001 0.000 0.182 258 G C 0.727 175.559 174.900 -0.112 0.000 1.003 258 G CA -0.278 44.750 45.100 -0.120 0.000 0.666 258 G HN 0.783 nan 8.290 nan 0.000 0.506 259 G N -0.633 108.080 108.800 -0.144 0.000 2.632 259 G HA2 0.275 4.234 3.960 -0.001 0.000 0.224 259 G HA3 0.275 4.234 3.960 -0.001 0.000 0.224 259 G C 1.243 176.089 174.900 -0.091 0.000 1.341 259 G CA 1.389 46.424 45.100 -0.108 0.000 0.880 259 G HN 1.853 nan 8.290 nan 0.000 0.566 260 A N -1.185 121.602 122.820 -0.055 0.000 1.969 260 A HA 0.144 4.463 4.320 -0.001 0.000 0.218 260 A C 2.114 179.686 177.584 -0.020 0.000 1.169 260 A CA 2.496 54.515 52.037 -0.030 0.000 0.635 260 A CB -0.450 18.543 19.000 -0.012 0.000 0.810 260 A HN 0.823 nan 8.150 nan 0.000 0.445 261 E N 0.069 120.254 120.200 -0.024 0.000 2.107 261 E HA 0.090 4.439 4.350 -0.001 0.000 0.191 261 E C 2.182 178.770 176.600 -0.020 0.000 0.982 261 E CA 1.170 57.562 56.400 -0.013 0.000 0.809 261 E CB -0.437 29.255 29.700 -0.012 0.000 0.756 261 E HN 0.550 nan 8.360 nan 0.000 0.459 262 A N 0.709 123.503 122.820 -0.043 0.000 1.930 262 A HA -0.109 4.210 4.320 -0.001 0.000 0.217 262 A C 2.122 179.676 177.584 -0.051 0.000 1.175 262 A CA 0.890 52.896 52.037 -0.052 0.000 0.627 262 A CB -0.369 18.582 19.000 -0.082 0.000 0.815 262 A HN 0.218 nan 8.150 nan 0.000 0.443 263 I N 0.037 120.568 120.570 -0.064 0.000 2.439 263 I HA -0.071 4.099 4.170 -0.001 0.000 0.251 263 I C 2.566 178.691 176.117 0.013 0.000 1.139 263 I CA 0.723 61.997 61.300 -0.044 0.000 1.438 263 I CB -0.871 37.093 38.000 -0.061 0.000 1.085 263 I HN 0.297 nan 8.210 nan 0.000 0.427 264 A N 0.080 122.911 122.820 0.017 0.000 1.940 264 A HA -0.279 4.040 4.320 -0.001 0.000 0.219 264 A C 2.464 180.071 177.584 0.038 0.000 1.176 264 A CA 1.948 54.008 52.037 0.039 0.000 0.631 264 A CB -0.650 18.372 19.000 0.037 0.000 0.814 264 A HN 0.433 nan 8.150 nan 0.000 0.446 265 K N -0.922 119.491 120.400 0.022 0.000 2.026 265 K HA -0.260 4.060 4.320 -0.001 0.000 0.208 265 K C 2.361 178.980 176.600 0.033 0.000 1.048 265 K CA 1.882 58.183 56.287 0.023 0.000 0.929 265 K CB -0.161 32.344 32.500 0.009 0.000 0.713 265 K HN 0.486 nan 8.250 nan 0.000 0.439 266 Q N 0.981 120.799 119.800 0.031 0.000 2.096 266 Q HA -0.162 4.177 4.340 -0.001 0.000 0.204 266 Q C 1.640 177.680 176.000 0.067 0.000 0.982 266 Q CA 1.973 57.804 55.803 0.047 0.000 0.850 266 Q CB -0.108 28.658 28.738 0.046 0.000 0.901 266 Q HN 0.313 nan 8.270 nan 0.000 0.422 267 N N 0.168 118.913 118.700 0.075 0.000 2.188 267 N HA -0.130 4.609 4.740 -0.001 0.000 0.184 267 N C 1.454 177.020 175.510 0.093 0.000 1.018 267 N CA 1.442 54.548 53.050 0.094 0.000 0.858 267 N CB -0.132 38.418 38.487 0.105 0.000 0.989 267 N HN 0.449 nan 8.380 nan 0.000 0.426 268 E N 0.771 121.019 120.200 0.080 0.000 2.110 268 E HA -0.140 4.209 4.350 -0.001 0.000 0.193 268 E C 1.664 178.313 176.600 0.081 0.000 0.988 268 E CA 0.875 57.324 56.400 0.083 0.000 0.804 268 E CB -0.029 29.708 29.700 0.062 0.000 0.745 268 E HN 0.463 nan 8.360 nan 0.000 0.458 269 E N 0.906 121.145 120.200 0.066 0.000 2.072 269 E HA -0.166 4.183 4.350 -0.001 0.000 0.191 269 E C 1.945 178.585 176.600 0.066 0.000 0.985 269 E CA 1.032 57.468 56.400 0.060 0.000 0.801 269 E CB 0.091 29.820 29.700 0.049 0.000 0.750 269 E HN 0.146 nan 8.360 nan 0.000 0.452 270 K N 0.549 120.992 120.400 0.072 0.000 2.026 270 K HA -0.128 4.192 4.320 -0.001 0.000 0.208 270 K C 2.288 178.924 176.600 0.061 0.000 1.048 270 K CA 1.203 57.533 56.287 0.072 0.000 0.929 270 K CB -0.228 32.323 32.500 0.085 0.000 0.713 270 K HN 0.055 nan 8.250 nan 0.000 0.439 271 A N 2.115 124.984 122.820 0.082 0.000 1.902 271 A HA -0.212 4.107 4.320 -0.001 0.000 0.217 271 A C 2.120 179.785 177.584 0.135 0.000 1.181 271 A CA 1.673 53.765 52.037 0.092 0.000 0.623 271 A CB -0.423 18.703 19.000 0.211 0.000 0.818 271 A HN 0.239 nan 8.150 nan 0.000 0.443 272 K N -0.434 120.052 120.400 0.144 0.000 2.103 272 K HA -0.116 4.203 4.320 -0.001 0.000 0.207 272 K C 1.758 178.402 176.600 0.074 0.000 1.048 272 K CA 1.553 57.919 56.287 0.132 0.000 0.930 272 K CB -0.327 32.224 32.500 0.086 0.000 0.716 272 K HN 0.557 nan 8.250 nan 0.000 0.444 273 I N 0.672 121.264 120.570 0.036 0.000 2.226 273 I HA -0.306 3.863 4.170 -0.001 0.000 0.245 273 I C 2.045 178.131 176.117 -0.052 0.000 1.100 273 I CA 1.264 62.565 61.300 0.002 0.000 1.374 273 I CB -0.161 37.845 38.000 0.010 0.000 1.057 273 I HN 0.178 nan 8.210 nan 0.000 0.413 274 I N -0.870 119.636 120.570 -0.106 0.000 2.277 274 I HA -0.255 3.914 4.170 -0.001 0.000 0.243 274 I C 2.310 178.277 176.117 -0.250 0.000 1.094 274 I CA 1.395 62.546 61.300 -0.248 0.000 1.393 274 I CB -0.499 37.290 38.000 -0.352 0.000 1.078 274 I HN 0.104 nan 8.210 nan 0.000 0.417 275 Y N 1.220 121.473 120.300 -0.078 0.000 2.224 275 Y HA -0.247 4.302 4.550 -0.001 0.000 0.289 275 Y C 2.300 178.162 175.900 -0.065 0.000 1.146 275 Y CA 0.949 59.008 58.100 -0.070 0.000 1.182 275 Y CB -0.242 38.203 38.460 -0.026 0.000 0.983 275 Y HN 0.187 nan 8.280 nan 0.000 0.524 276 D N -0.831 119.624 120.400 0.092 0.000 2.144 276 D HA -0.133 4.506 4.640 -0.001 0.000 0.200 276 D C 2.074 178.375 176.300 0.002 0.000 0.978 276 D CA 1.645 55.671 54.000 0.043 0.000 0.833 276 D CB -0.498 40.320 40.800 0.030 0.000 0.961 276 D HN 0.267 nan 8.370 nan 0.000 0.470 277 T N 0.981 115.504 114.554 -0.052 0.000 2.746 277 T HA -0.090 4.259 4.350 -0.001 0.000 0.267 277 T C 2.223 176.882 174.700 -0.067 0.000 1.039 277 T CA 0.617 62.665 62.100 -0.087 0.000 1.142 277 T CB -0.196 68.558 68.868 -0.190 0.000 0.866 277 T HN 0.170 nan 8.240 nan 0.000 0.444 278 I N 1.311 121.810 120.570 -0.118 0.000 2.179 278 I HA -0.178 3.991 4.170 -0.001 0.000 0.242 278 I C 2.190 178.343 176.117 0.059 0.000 1.088 278 I CA 1.273 62.548 61.300 -0.042 0.000 1.357 278 I CB -0.327 37.627 38.000 -0.077 0.000 1.051 278 I HN 0.124 nan 8.210 nan 0.000 0.409 279 D N 0.346 120.777 120.400 0.051 0.000 2.269 279 D HA -0.103 4.536 4.640 -0.001 0.000 0.208 279 D C 1.793 178.119 176.300 0.043 0.000 0.963 279 D CA 0.842 54.873 54.000 0.052 0.000 0.864 279 D CB -0.113 40.715 40.800 0.047 0.000 0.936 279 D HN 0.304 nan 8.370 nan 0.000 0.505 280 E N 0.065 120.288 120.200 0.039 0.000 2.465 280 E HA 0.012 4.361 4.350 -0.001 0.000 0.191 280 E C 1.377 178.003 176.600 0.044 0.000 1.053 280 E CA 0.046 56.465 56.400 0.032 0.000 0.869 280 E CB 0.229 29.940 29.700 0.018 0.000 0.977 280 E HN 0.189 nan 8.360 nan 0.000 0.483 281 S N 0.679 116.429 115.700 0.082 0.000 2.650 281 S HA -0.058 4.411 4.470 -0.001 0.000 0.219 281 S C 0.861 175.514 174.600 0.088 0.000 0.960 281 S CA 0.033 58.301 58.200 0.113 0.000 0.925 281 S CB -0.301 63.063 63.200 0.274 0.000 0.775 281 S HN 0.125 nan 8.310 nan 0.000 0.525 282 N N 1.123 119.860 118.700 0.061 0.000 2.716 282 N HA -0.187 4.552 4.740 -0.001 0.000 0.250 282 N C 0.835 176.379 175.510 0.058 0.000 1.033 282 N CA 1.229 54.308 53.050 0.047 0.000 0.727 282 N CB -1.648 36.858 38.487 0.032 0.000 0.950 282 N HN 1.154 nan 8.380 nan 0.000 0.541 283 G N -1.483 107.355 108.800 0.064 0.000 2.179 283 G HA2 -0.391 3.568 3.960 -0.001 0.000 0.260 283 G HA3 -0.391 3.568 3.960 -0.001 0.000 0.260 283 G C 0.712 175.619 174.900 0.012 0.000 0.977 283 G CA 0.483 45.607 45.100 0.040 0.000 0.641 283 G HN 0.521 nan 8.290 nan 0.000 0.533 284 F N 0.689 120.556 119.950 -0.138 0.000 2.171 284 F HA 0.272 4.798 4.527 -0.002 0.000 0.300 284 F C 1.124 176.650 175.800 -0.457 0.000 1.090 284 F CA 1.229 59.040 58.000 -0.314 0.000 1.293 284 F CB 0.060 38.808 39.000 -0.420 0.000 1.013 284 F HN 0.254 nan 8.300 nan 0.000 0.486 285 Y N -0.622 119.737 120.300 0.099 0.000 2.377 285 Y HA 0.544 5.093 4.550 -0.001 0.000 0.339 285 Y C -0.619 175.292 175.900 0.018 0.000 1.011 285 Y CA -1.355 56.748 58.100 0.004 0.000 1.093 285 Y CB 1.607 39.988 38.460 -0.131 0.000 1.201 285 Y HN -0.471 nan 8.280 nan 0.000 0.455 286 V N 2.742 122.782 119.914 0.210 0.000 2.443 286 V HA 0.522 4.641 4.120 -0.001 0.000 0.293 286 V C 0.323 176.552 176.094 0.225 0.000 1.021 286 V CA -0.998 61.397 62.300 0.158 0.000 0.848 286 V CB 1.429 33.310 31.823 0.096 0.000 0.998 286 V HN 0.988 nan 8.190 nan 0.000 0.424 287 G N 1.075 110.000 108.800 0.208 0.000 2.442 287 G HA2 0.230 4.189 3.960 -0.001 0.000 0.249 287 G HA3 0.230 4.189 3.960 -0.001 0.000 0.249 287 G C 0.553 175.594 174.900 0.235 0.000 1.263 287 G CA 0.094 45.356 45.100 0.270 0.000 0.846 287 G HN 0.962 nan 8.290 nan 0.000 0.555 288 H N 2.037 121.224 119.070 0.194 0.000 2.357 288 H HA 0.190 4.745 4.556 -0.001 0.000 0.301 288 H C 1.879 177.301 175.328 0.156 0.000 1.082 288 H CA 1.393 57.541 56.048 0.167 0.000 1.342 288 H CB 0.004 29.878 29.762 0.187 0.000 1.389 288 H HN 0.620 nan 8.280 nan 0.000 0.511 289 A N 0.915 123.837 122.820 0.170 0.000 2.407 289 A HA 0.140 4.459 4.320 -0.001 0.000 0.248 289 A C 0.016 177.591 177.584 -0.016 0.000 1.082 289 A CA -0.417 51.665 52.037 0.075 0.000 0.785 289 A CB 0.162 19.258 19.000 0.160 0.000 1.020 289 A HN 0.657 nan 8.150 nan 0.000 0.489 290 E N 0.850 121.019 120.200 -0.052 0.000 2.404 290 E HA 0.039 4.388 4.350 -0.001 0.000 0.261 290 E C 0.480 177.036 176.600 -0.074 0.000 1.074 290 E CA -0.182 56.180 56.400 -0.062 0.000 0.917 290 E CB 0.736 30.397 29.700 -0.065 0.000 0.965 290 E HN 0.650 nan 8.360 nan 0.000 0.433 291 K N 1.410 121.756 120.400 -0.090 0.000 2.063 291 K HA -0.143 4.176 4.320 -0.001 0.000 0.208 291 K C 1.879 178.398 176.600 -0.135 0.000 1.048 291 K CA 1.342 57.550 56.287 -0.132 0.000 0.928 291 K CB -0.228 32.206 32.500 -0.111 0.000 0.713 291 K HN 0.676 nan 8.250 nan 0.000 0.442 292 G N -0.509 108.228 108.800 -0.104 0.000 2.625 292 G HA2 -0.131 3.828 3.960 -0.001 0.000 0.214 292 G HA3 -0.131 3.828 3.960 -0.001 0.000 0.214 292 G C 1.006 175.848 174.900 -0.097 0.000 1.132 292 G CA 0.524 45.563 45.100 -0.103 0.000 0.782 292 G HN 0.152 nan 8.290 nan 0.000 0.538 293 S N -0.687 114.965 115.700 -0.081 0.000 2.701 293 S HA 0.249 4.718 4.470 -0.001 0.000 0.242 293 S C 0.810 175.407 174.600 -0.005 0.000 1.025 293 S CA -0.677 57.497 58.200 -0.045 0.000 1.016 293 S CB 0.625 63.811 63.200 -0.024 0.000 0.977 293 S HN 0.317 nan 8.310 nan 0.000 0.546 294 R N 2.520 122.978 120.500 -0.069 0.000 2.502 294 R HA 0.115 4.455 4.340 -0.001 0.000 0.292 294 R C 0.448 176.796 176.300 0.079 0.000 0.998 294 R CA 0.157 56.220 56.100 -0.062 0.000 1.056 294 R CB 0.313 30.307 30.300 -0.510 0.000 0.939 294 R HN 0.166 nan 8.270 nan 0.000 0.411 295 S N 2.687 118.522 115.700 0.225 0.000 2.576 295 S HA 0.080 4.549 4.470 -0.001 0.000 0.276 295 S C 1.245 176.019 174.600 0.289 0.000 1.339 295 S CA -0.599 57.743 58.200 0.237 0.000 1.039 295 S CB 0.575 63.920 63.200 0.241 0.000 0.902 295 S HN 0.574 nan 8.310 nan 0.000 0.516 296 L N 3.924 125.278 121.223 0.218 0.000 2.558 296 L HA 0.111 4.450 4.340 -0.001 0.000 0.225 296 L C 1.792 178.753 176.870 0.151 0.000 1.128 296 L CA 0.185 55.149 54.840 0.207 0.000 0.868 296 L CB -0.199 41.957 42.059 0.162 0.000 1.006 296 L HN 0.663 nan 8.230 nan 0.000 0.454 297 M N -1.005 118.678 119.600 0.137 0.000 2.653 297 M HA 0.160 4.639 4.480 -0.001 0.000 0.259 297 M C -0.234 176.008 176.300 -0.096 0.000 1.244 297 M CA 0.691 56.021 55.300 0.050 0.000 1.163 297 M CB -0.101 32.608 32.600 0.181 0.000 1.309 297 M HN 0.121 nan 8.290 nan 0.000 0.509 298 N N 0.124 118.839 118.700 0.026 0.000 2.533 298 N HA 0.347 5.086 4.740 -0.001 0.000 0.289 298 N C -1.262 174.303 175.510 0.092 0.000 1.103 298 N CA -0.189 52.872 53.050 0.018 0.000 0.877 298 N CB 2.697 41.230 38.487 0.076 0.000 1.419 298 N HN -0.221 nan 8.380 nan 0.000 0.517 299 V N 1.792 121.729 119.914 0.038 0.000 2.348 299 V HA 0.418 4.537 4.120 -0.001 0.000 0.270 299 V C 0.244 176.436 176.094 0.163 0.000 1.037 299 V CA -0.504 61.819 62.300 0.038 0.000 0.872 299 V CB 0.509 32.196 31.823 -0.227 0.000 1.002 299 V HN 0.745 nan 8.190 nan 0.000 0.464 300 T N 3.229 117.919 114.554 0.227 0.000 2.829 300 T HA 0.858 5.207 4.350 -0.001 0.000 0.282 300 T C -0.705 174.184 174.700 0.315 0.000 0.990 300 T CA -0.519 61.684 62.100 0.171 0.000 1.028 300 T CB 1.356 70.298 68.868 0.123 0.000 0.951 300 T HN 0.591 nan 8.240 nan 0.000 0.460 301 F N -0.593 119.377 119.950 0.034 0.000 2.713 301 F HA 0.709 5.235 4.527 -0.002 0.000 0.311 301 F C -1.421 174.391 175.800 0.020 0.000 1.141 301 F CA -1.289 56.737 58.000 0.043 0.000 0.939 301 F CB 1.367 40.366 39.000 -0.003 0.000 1.325 301 F HN 0.482 nan 8.300 nan 0.000 0.453 302 N N 0.985 119.799 118.700 0.190 0.000 2.262 302 N HA 0.618 5.357 4.740 -0.001 0.000 0.295 302 N C -1.373 174.202 175.510 0.110 0.000 1.161 302 N CA -0.432 52.653 53.050 0.059 0.000 0.767 302 N CB 2.748 41.255 38.487 0.035 0.000 1.499 302 N HN 0.463 nan 8.380 nan 0.000 0.476 303 L N 1.156 122.366 121.223 -0.022 0.000 2.642 303 L HA 0.402 4.741 4.340 -0.001 0.000 0.229 303 L C 2.147 178.885 176.870 -0.220 0.000 1.179 303 L CA -0.094 54.616 54.840 -0.217 0.000 0.834 303 L CB 0.278 42.165 42.059 -0.287 0.000 1.515 303 L HN 0.414 nan 8.230 nan 0.000 0.512 304 R N -0.399 119.899 120.500 -0.336 0.000 2.235 304 R HA -0.010 4.329 4.340 -0.001 0.000 0.213 304 R C -0.542 175.688 176.300 -0.117 0.000 1.059 304 R CA 0.728 56.706 56.100 -0.203 0.000 0.997 304 R CB -0.284 29.880 30.300 -0.227 0.000 0.884 304 R HN 0.825 nan 8.270 nan 0.000 0.462 305 N N -2.449 116.188 118.700 -0.104 0.000 2.934 305 N HA -0.026 4.713 4.740 -0.001 0.000 0.253 305 N C -0.077 175.413 175.510 -0.032 0.000 1.466 305 N CA -0.708 52.311 53.050 -0.052 0.000 0.858 305 N CB 0.638 39.102 38.487 -0.038 0.000 1.459 305 N HN -0.325 nan 8.380 nan 0.000 0.532 306 E N 0.133 120.324 120.200 -0.015 0.000 2.110 306 E HA -0.225 4.124 4.350 -0.001 0.000 0.193 306 E C 1.341 177.949 176.600 0.013 0.000 0.988 306 E CA 1.861 58.258 56.400 -0.005 0.000 0.804 306 E CB -0.065 29.633 29.700 -0.003 0.000 0.745 306 E HN 0.744 nan 8.360 nan 0.000 0.458 307 E N 0.122 120.334 120.200 0.019 0.000 2.058 307 E HA -0.188 4.161 4.350 -0.001 0.000 0.194 307 E C 2.046 178.696 176.600 0.082 0.000 0.997 307 E CA 1.678 58.104 56.400 0.043 0.000 0.801 307 E CB -0.478 29.245 29.700 0.038 0.000 0.746 307 E HN 0.405 nan 8.360 nan 0.000 0.450 308 L N 0.604 121.873 121.223 0.077 0.000 2.083 308 L HA -0.163 4.176 4.340 -0.001 0.000 0.209 308 L C 2.348 179.311 176.870 0.156 0.000 1.083 308 L CA 0.946 55.883 54.840 0.162 0.000 0.752 308 L CB -0.544 41.547 42.059 0.053 0.000 0.899 308 L HN 0.242 nan 8.230 nan 0.000 0.433 309 N N 0.069 118.806 118.700 0.061 0.000 2.061 309 N HA -0.235 4.504 4.740 -0.001 0.000 0.193 309 N C 1.876 177.434 175.510 0.079 0.000 1.030 309 N CA 1.473 54.555 53.050 0.055 0.000 0.856 309 N CB -0.205 38.282 38.487 0.000 0.000 1.023 309 N HN 0.428 nan 8.380 nan 0.000 0.424 310 Q N 0.229 120.065 119.800 0.060 0.000 2.079 310 Q HA -0.085 4.254 4.340 -0.001 0.000 0.200 310 Q C 2.048 178.081 176.000 0.056 0.000 0.974 310 Q CA 1.032 56.861 55.803 0.042 0.000 0.840 310 Q CB -0.086 28.673 28.738 0.035 0.000 0.898 310 Q HN 0.552 nan 8.270 nan 0.000 0.430 311 Q N -0.186 119.688 119.800 0.123 0.000 2.119 311 Q HA -0.163 4.176 4.340 -0.001 0.000 0.201 311 Q C 1.834 177.857 176.000 0.039 0.000 0.972 311 Q CA 1.201 57.111 55.803 0.179 0.000 0.847 311 Q CB -0.278 28.683 28.738 0.371 0.000 0.903 311 Q HN 0.302 nan 8.270 nan 0.000 0.433 312 F N 1.664 121.432 119.950 -0.304 0.000 2.102 312 F HA -0.149 4.377 4.527 -0.001 0.000 0.298 312 F C 1.767 177.342 175.800 -0.376 0.000 1.105 312 F CA 1.262 58.785 58.000 -0.796 0.000 1.239 312 F CB -0.165 38.434 39.000 -0.668 0.000 0.991 312 F HN -0.069 nan 8.300 nan 0.000 0.474 313 L N -0.070 121.002 121.223 -0.252 0.000 2.131 313 L HA -0.167 4.172 4.340 -0.001 0.000 0.210 313 L C 2.740 179.474 176.870 -0.227 0.000 1.092 313 L CA 1.031 55.698 54.840 -0.289 0.000 0.759 313 L CB -1.079 40.922 42.059 -0.097 0.000 0.903 313 L HN 0.295 nan 8.230 nan 0.000 0.435 314 A N 0.264 123.002 122.820 -0.135 0.000 1.897 314 A HA -0.228 4.091 4.320 -0.001 0.000 0.215 314 A C 2.308 179.846 177.584 -0.078 0.000 1.181 314 A CA 1.821 53.818 52.037 -0.066 0.000 0.620 314 A CB -0.320 18.676 19.000 -0.007 0.000 0.821 314 A HN 0.268 nan 8.150 nan 0.000 0.443 315 K N 0.306 120.631 120.400 -0.126 0.000 2.057 315 K HA 0.021 4.340 4.320 -0.001 0.000 0.207 315 K C 1.965 178.482 176.600 -0.138 0.000 1.049 315 K CA 1.619 57.854 56.287 -0.086 0.000 0.931 315 K CB -0.495 31.982 32.500 -0.039 0.000 0.714 315 K HN 0.288 nan 8.250 nan 0.000 0.440 316 A N 1.498 124.097 122.820 -0.368 0.000 1.883 316 A HA -0.221 4.098 4.320 -0.001 0.000 0.217 316 A C 2.159 179.798 177.584 0.091 0.000 1.186 316 A CA 1.999 53.858 52.037 -0.297 0.000 0.624 316 A CB -0.713 17.903 19.000 -0.639 0.000 0.822 316 A HN 0.456 nan 8.150 nan 0.000 0.444 317 K N 0.191 120.593 120.400 0.004 0.000 2.057 317 K HA -0.231 4.088 4.320 -0.001 0.000 0.207 317 K C 2.054 178.708 176.600 0.089 0.000 1.049 317 K CA 1.821 58.151 56.287 0.072 0.000 0.931 317 K CB -0.289 32.223 32.500 0.021 0.000 0.714 317 K HN 0.666 nan 8.250 nan 0.000 0.440 318 E N 0.105 120.343 120.200 0.064 0.000 2.160 318 E HA -0.211 4.138 4.350 -0.001 0.000 0.195 318 E C 1.306 177.973 176.600 0.113 0.000 0.991 318 E CA 1.020 57.463 56.400 0.071 0.000 0.810 318 E CB 0.108 29.843 29.700 0.057 0.000 0.742 318 E HN 0.343 nan 8.360 nan 0.000 0.466 319 Q N -0.586 119.329 119.800 0.192 0.000 2.320 319 Q HA 0.100 4.440 4.340 -0.001 0.000 0.201 319 Q C 0.913 177.079 176.000 0.276 0.000 0.910 319 Q CA 0.766 56.735 55.803 0.277 0.000 0.946 319 Q CB 1.206 30.195 28.738 0.418 0.000 1.062 319 Q HN 0.557 nan 8.270 nan 0.000 0.503 320 G N 0.402 109.312 108.800 0.184 0.000 2.179 320 G HA2 -0.231 3.728 3.960 -0.001 0.000 0.220 320 G HA3 -0.231 3.728 3.960 -0.001 0.000 0.220 320 G C -0.188 174.728 174.900 0.026 0.000 0.990 320 G CA -0.526 44.581 45.100 0.013 0.000 0.646 320 G HN 0.254 nan 8.290 nan 0.000 0.517 321 F N 0.906 121.005 119.950 0.248 0.000 2.427 321 F HA 0.580 5.106 4.527 -0.001 0.000 0.352 321 F C 0.727 176.628 175.800 0.170 0.000 1.100 321 F CA -0.516 57.658 58.000 0.290 0.000 1.191 321 F CB 1.714 40.814 39.000 0.167 0.000 1.128 321 F HN -0.028 nan 8.300 nan 0.000 0.533 322 V N 2.239 122.358 119.914 0.342 0.000 2.495 322 V HA 0.650 4.769 4.120 -0.001 0.000 0.298 322 V C 0.482 176.730 176.094 0.257 0.000 1.031 322 V CA -0.426 62.004 62.300 0.215 0.000 0.871 322 V CB 1.069 32.965 31.823 0.120 0.000 0.988 322 V HN 0.978 nan 8.190 nan 0.000 0.432 323 G N 3.555 112.460 108.800 0.174 0.000 2.141 323 G HA2 -0.213 3.746 3.960 -0.001 0.000 0.242 323 G HA3 -0.213 3.746 3.960 -0.001 0.000 0.242 323 G C 0.506 175.483 174.900 0.129 0.000 0.982 323 G CA 0.358 45.550 45.100 0.153 0.000 0.662 323 G HN 0.643 nan 8.290 nan 0.000 0.527 324 L N -0.288 120.989 121.223 0.089 0.000 2.395 324 L HA 0.110 4.449 4.340 -0.001 0.000 0.218 324 L C 1.358 178.194 176.870 -0.058 0.000 1.130 324 L CA 0.194 55.028 54.840 -0.009 0.000 0.826 324 L CB -0.304 41.710 42.059 -0.075 0.000 0.941 324 L HN 0.229 nan 8.230 nan 0.000 0.451 325 N N 0.642 119.321 118.700 -0.034 0.000 2.458 325 N HA 0.143 4.882 4.740 -0.001 0.000 0.258 325 N C 0.610 176.080 175.510 -0.066 0.000 1.219 325 N CA 0.337 53.351 53.050 -0.060 0.000 0.902 325 N CB 0.648 39.109 38.487 -0.044 0.000 1.076 325 N HN 0.095 nan 8.380 nan 0.000 0.455 326 G N 0.654 109.392 108.800 -0.103 0.000 2.690 326 G HA2 -0.105 3.854 3.960 -0.001 0.000 0.239 326 G HA3 -0.105 3.854 3.960 -0.001 0.000 0.239 326 G C -0.161 174.717 174.900 -0.036 0.000 1.233 326 G CA -0.296 44.752 45.100 -0.087 0.000 0.847 326 G HN 0.656 nan 8.290 nan 0.000 0.588 327 H N 0.846 119.857 119.070 -0.097 0.000 3.038 327 H HA -0.049 4.506 4.556 -0.002 0.000 0.338 327 H C 1.946 177.220 175.328 -0.091 0.000 1.041 327 H CA 0.219 56.220 56.048 -0.078 0.000 1.394 327 H CB 0.764 30.460 29.762 -0.110 0.000 1.357 327 H HN 0.634 nan 8.280 nan 0.000 0.600 328 R N 2.831 123.005 120.500 -0.543 0.000 2.127 328 R HA -0.138 4.201 4.340 -0.001 0.000 0.238 328 R C 1.582 177.822 176.300 -0.100 0.000 1.134 328 R CA 1.723 57.658 56.100 -0.274 0.000 0.975 328 R CB -0.832 29.289 30.300 -0.298 0.000 0.865 328 R HN 0.609 nan 8.270 nan 0.000 0.447 329 S N 0.236 115.980 115.700 0.074 0.000 2.507 329 S HA -0.056 4.413 4.470 -0.001 0.000 0.235 329 S C 1.864 176.485 174.600 0.034 0.000 0.988 329 S CA 0.845 59.112 58.200 0.112 0.000 0.944 329 S CB -0.115 63.200 63.200 0.191 0.000 0.762 329 S HN 0.368 nan 8.310 nan 0.000 0.526 330 V N -3.770 116.136 119.914 -0.014 0.000 3.426 330 V HA 0.657 4.776 4.120 -0.001 0.000 0.271 330 V C 1.162 177.211 176.094 -0.075 0.000 1.530 330 V CA -0.004 62.248 62.300 -0.081 0.000 1.021 330 V CB -0.697 30.979 31.823 -0.245 0.000 0.824 330 V HN 0.822 nan 8.190 nan 0.000 0.432 331 G N 0.546 109.304 108.800 -0.071 0.000 2.598 331 G HA2 0.275 4.235 3.960 -0.001 0.000 0.244 331 G HA3 0.275 4.235 3.960 -0.001 0.000 0.244 331 G C 0.953 175.792 174.900 -0.103 0.000 1.302 331 G CA 0.189 45.245 45.100 -0.074 0.000 0.903 331 G HN 2.344 nan 8.290 nan 0.000 0.575 332 G N -1.926 106.813 108.800 -0.101 0.000 2.578 332 G HA2 0.083 4.042 3.960 -0.001 0.000 0.275 332 G HA3 0.083 4.042 3.960 -0.001 0.000 0.275 332 G C 0.556 175.315 174.900 -0.236 0.000 1.271 332 G CA 1.099 46.106 45.100 -0.155 0.000 0.941 332 G HN 2.298 nan 8.290 nan 0.000 0.564 333 C N -0.731 118.305 119.300 -0.440 0.000 2.667 333 C HA 0.949 5.408 4.460 -0.001 0.000 0.323 333 C C 0.425 175.103 174.990 -0.521 0.000 1.214 333 C CA -0.474 58.181 59.018 -0.605 0.000 1.721 333 C CB 1.825 28.812 27.740 -1.255 0.000 2.275 333 C HN 1.023 nan 8.230 nan 0.000 0.491 334 R N 0.923 121.233 120.500 -0.318 0.000 2.549 334 R HA 0.565 4.905 4.340 -0.001 0.000 0.291 334 R C -1.199 175.066 176.300 -0.058 0.000 1.164 334 R CA -0.065 55.956 56.100 -0.131 0.000 0.973 334 R CB 0.879 31.151 30.300 -0.048 0.000 1.210 334 R HN 0.953 nan 8.270 nan 0.000 0.422 335 A N 3.206 126.020 122.820 -0.009 0.000 2.316 335 A HA 0.407 4.726 4.320 -0.001 0.000 0.311 335 A C -0.486 177.138 177.584 0.066 0.000 1.339 335 A CA -0.349 51.661 52.037 -0.045 0.000 0.960 335 A CB 0.860 19.761 19.000 -0.164 0.000 1.152 335 A HN 0.639 nan 8.150 nan 0.000 0.547 336 S N 2.032 117.816 115.700 0.141 0.000 2.489 336 S HA 0.444 4.913 4.470 -0.001 0.000 0.277 336 S C 0.444 175.008 174.600 -0.059 0.000 1.230 336 S CA -0.318 57.811 58.200 -0.119 0.000 1.053 336 S CB 0.206 63.276 63.200 -0.216 0.000 0.955 336 S HN 0.732 nan 8.310 nan 0.000 0.488 337 I N 0.210 120.654 120.570 -0.209 0.000 2.998 337 I HA 0.407 4.576 4.170 -0.001 0.000 0.338 337 I C -0.639 175.452 176.117 -0.044 0.000 1.413 337 I CA -0.856 60.424 61.300 -0.033 0.000 0.880 337 I CB -0.321 37.727 38.000 0.080 0.000 2.051 337 I HN 0.424 nan 8.210 nan 0.000 0.561 338 Y N 0.829 121.190 120.300 0.101 0.000 2.379 338 Y HA 0.028 4.577 4.550 -0.001 0.000 0.354 338 Y C 1.822 177.779 175.900 0.095 0.000 1.269 338 Y CA -0.046 58.107 58.100 0.087 0.000 1.532 338 Y CB 0.108 38.604 38.460 0.060 0.000 1.371 338 Y HN 0.264 nan 8.280 nan 0.000 0.666 339 N N 0.702 119.588 118.700 0.311 0.000 2.069 339 N HA -0.265 4.474 4.740 -0.001 0.000 0.196 339 N C 1.514 177.220 175.510 0.326 0.000 1.024 339 N CA 1.917 55.147 53.050 0.300 0.000 0.869 339 N CB -0.641 38.057 38.487 0.352 0.000 1.035 339 N HN 0.715 nan 8.380 nan 0.000 0.434 340 A N 0.210 123.140 122.820 0.183 0.000 2.251 340 A HA 0.180 4.499 4.320 -0.001 0.000 0.209 340 A C 0.540 178.114 177.584 -0.016 0.000 1.187 340 A CA -0.166 51.857 52.037 -0.023 0.000 0.823 340 A CB 0.146 18.968 19.000 -0.297 0.000 0.846 340 A HN 0.033 nan 8.150 nan 0.000 0.486 341 V N 3.486 123.419 119.914 0.031 0.000 2.485 341 V HA 0.132 4.251 4.120 -0.001 0.000 0.287 341 V C -1.938 174.149 176.094 -0.011 0.000 1.022 341 V CA -1.203 61.066 62.300 -0.053 0.000 1.067 341 V CB 0.541 32.302 31.823 -0.102 0.000 0.967 341 V HN 0.355 nan 8.190 nan 0.000 0.479 342 P HA 0.203 nan 4.420 nan 0.000 0.274 342 P C 0.972 178.298 177.300 0.045 0.000 1.231 342 P CA -0.300 62.818 63.100 0.030 0.000 0.790 342 P CB 1.470 33.182 31.700 0.020 0.000 0.951 343 I N 1.434 122.045 120.570 0.069 0.000 2.493 343 I HA -0.228 3.941 4.170 -0.001 0.000 0.254 343 I C 1.509 177.671 176.117 0.075 0.000 1.160 343 I CA 1.639 62.983 61.300 0.072 0.000 1.445 343 I CB -0.193 37.847 38.000 0.068 0.000 1.086 343 I HN 0.317 nan 8.210 nan 0.000 0.433 344 D N 1.036 121.482 120.400 0.077 0.000 2.264 344 D HA -0.144 4.495 4.640 -0.001 0.000 0.208 344 D C 1.944 178.308 176.300 0.107 0.000 0.966 344 D CA 1.134 55.187 54.000 0.089 0.000 0.864 344 D CB -0.387 40.471 40.800 0.097 0.000 0.933 344 D HN 0.361 nan 8.370 nan 0.000 0.499 345 A N 0.309 123.201 122.820 0.120 0.000 1.930 345 A HA -0.115 4.204 4.320 -0.001 0.000 0.217 345 A C 2.430 180.163 177.584 0.249 0.000 1.175 345 A CA 1.292 53.413 52.037 0.140 0.000 0.627 345 A CB -0.972 18.005 19.000 -0.038 0.000 0.815 345 A HN 0.447 nan 8.150 nan 0.000 0.443 346 C N -0.667 118.768 119.300 0.225 0.000 2.446 346 C HA -0.020 4.439 4.460 -0.001 0.000 0.277 346 C C 2.539 177.594 174.990 0.110 0.000 1.275 346 C CA 0.789 59.950 59.018 0.240 0.000 1.727 346 C CB -1.328 26.505 27.740 0.155 0.000 2.010 346 C HN 0.625 nan 8.230 nan 0.000 0.486 347 I N 1.741 122.354 120.570 0.071 0.000 2.226 347 I HA -0.224 3.945 4.170 -0.001 0.000 0.245 347 I C 2.800 178.924 176.117 0.011 0.000 1.100 347 I CA 1.633 62.953 61.300 0.033 0.000 1.374 347 I CB -0.620 37.403 38.000 0.038 0.000 1.057 347 I HN 0.276 nan 8.210 nan 0.000 0.413 348 A N 0.774 123.578 122.820 -0.027 0.000 1.908 348 A HA -0.243 4.076 4.320 -0.001 0.000 0.218 348 A C 2.271 179.878 177.584 0.038 0.000 1.181 348 A CA 1.777 53.744 52.037 -0.117 0.000 0.627 348 A CB -0.836 17.724 19.000 -0.734 0.000 0.818 348 A HN 0.408 nan 8.150 nan 0.000 0.445 349 L N -0.035 121.244 121.223 0.093 0.000 2.056 349 L HA -0.108 4.231 4.340 -0.001 0.000 0.207 349 L C 2.441 179.216 176.870 -0.158 0.000 1.078 349 L CA 2.444 57.220 54.840 -0.107 0.000 0.749 349 L CB -0.632 41.348 42.059 -0.132 0.000 0.901 349 L HN 0.504 nan 8.230 nan 0.000 0.433 350 R N -0.464 119.980 120.500 -0.092 0.000 2.073 350 R HA -0.186 4.153 4.340 -0.001 0.000 0.234 350 R C 2.186 178.451 176.300 -0.058 0.000 1.134 350 R CA 1.846 57.884 56.100 -0.103 0.000 0.952 350 R CB -0.350 29.911 30.300 -0.064 0.000 0.850 350 R HN 0.511 nan 8.270 nan 0.000 0.433 351 E N 0.376 120.563 120.200 -0.022 0.000 2.085 351 E HA -0.232 4.117 4.350 -0.001 0.000 0.194 351 E C 2.042 178.658 176.600 0.028 0.000 0.994 351 E CA 1.446 57.854 56.400 0.012 0.000 0.801 351 E CB -0.152 29.567 29.700 0.033 0.000 0.743 351 E HN 0.265 nan 8.360 nan 0.000 0.453 352 L N 0.554 121.773 121.223 -0.007 0.000 2.012 352 L HA -0.199 4.140 4.340 -0.001 0.000 0.210 352 L C 2.279 179.231 176.870 0.136 0.000 1.073 352 L CA 1.698 56.535 54.840 -0.005 0.000 0.748 352 L CB -0.239 41.638 42.059 -0.304 0.000 0.891 352 L HN 0.132 nan 8.230 nan 0.000 0.431 353 M N -1.209 118.432 119.600 0.069 0.000 2.175 353 M HA -0.194 4.285 4.480 -0.001 0.000 0.264 353 M C 2.163 178.599 176.300 0.226 0.000 1.063 353 M CA 1.800 57.179 55.300 0.133 0.000 1.119 353 M CB -0.275 32.116 32.600 -0.347 0.000 1.377 353 M HN 0.280 nan 8.290 nan 0.000 0.415 354 I N -0.337 120.288 120.570 0.092 0.000 2.286 354 I HA -0.242 3.927 4.170 -0.001 0.000 0.245 354 I C 2.423 178.566 176.117 0.045 0.000 1.104 354 I CA 0.790 62.124 61.300 0.057 0.000 1.397 354 I CB -0.390 37.619 38.000 0.015 0.000 1.072 354 I HN 0.320 nan 8.210 nan 0.000 0.417 355 Q N 0.154 120.003 119.800 0.081 0.000 2.123 355 Q HA -0.161 4.178 4.340 -0.001 0.000 0.199 355 Q C 2.124 178.177 176.000 0.087 0.000 0.966 355 Q CA 1.436 57.277 55.803 0.063 0.000 0.845 355 Q CB -0.792 27.993 28.738 0.077 0.000 0.907 355 Q HN 0.427 nan 8.270 nan 0.000 0.439 356 F N 2.526 122.517 119.950 0.069 0.000 2.095 356 F HA -0.233 4.293 4.527 -0.001 0.000 0.298 356 F C 2.415 178.164 175.800 -0.085 0.000 1.104 356 F CA 1.853 59.921 58.000 0.114 0.000 1.232 356 F CB -0.037 39.186 39.000 0.372 0.000 0.987 356 F HN 0.015 nan 8.300 nan 0.000 0.475 357 K N 0.330 120.615 120.400 -0.193 0.000 2.026 357 K HA -0.218 4.101 4.320 -0.001 0.000 0.208 357 K C 2.002 178.227 176.600 -0.626 0.000 1.048 357 K CA 2.004 57.703 56.287 -0.981 0.000 0.929 357 K CB -0.358 31.607 32.500 -0.892 0.000 0.713 357 K HN 0.356 nan 8.250 nan 0.000 0.439 358 E N -0.004 120.007 120.200 -0.316 0.000 2.204 358 E HA -0.126 4.223 4.350 -0.001 0.000 0.195 358 E C 1.261 177.741 176.600 -0.199 0.000 0.990 358 E CA 0.835 57.105 56.400 -0.216 0.000 0.821 358 E CB 0.072 29.701 29.700 -0.119 0.000 0.750 358 E HN 0.347 nan 8.360 nan 0.000 0.477 359 N N -0.151 118.416 118.700 -0.222 0.000 2.280 359 N HA 0.093 4.833 4.740 -0.001 0.000 0.192 359 N C -0.069 175.287 175.510 -0.256 0.000 1.109 359 N CA 0.173 53.109 53.050 -0.189 0.000 0.855 359 N CB 0.557 38.961 38.487 -0.139 0.000 0.974 359 N HN 0.035 nan 8.380 nan 0.000 0.482 360 A N 0.000 122.608 122.820 -0.353 0.000 2.254 360 A HA 0.000 4.319 4.320 -0.001 0.000 0.244 360 A CA 0.000 51.865 52.037 -0.287 0.000 0.836 360 A CB 0.000 18.842 19.000 -0.264 0.000 0.831 360 A HN 0.000 nan 8.150 nan 0.000 0.486