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 2xfh_1_A DATA FIRST_RESID 18 DATA SEQUENCE IDEVPGMADE TALLDWLGTM REKQPVWQDR YGVWHVFRHA DVQTVLRDTA DATA SEQUENCE TFSSDPTRVI EGASPTPGMI HEIDPPEHRA LRKVVSSAFT PRTISDLEPR DATA SEQUENCE IRDVTRSLLA DAGESFDLVD VLAFPLPVTI VAELLGLPPM DHEQFGDWSG DATA SEQUENCE ALVDIQMDDP TDPALAERIA DVLNPLTAYL KARCAERRAD PGDDLISRLV DATA SEQUENCE LAEVDGRALD DEEAANFSTA LLLAGHITTT VLLGNIVRTL DEHPAHWDAA DATA SEQUENCE AEDPGRIPAI VEEVLRYRPP FPQMQRTTTK ATEVAGVPIP ADVMVNTWVL DATA SEQUENCE SANRDSDAHD DPDRFDPSRK SGGAAQLSFG HGVHFCLGAP LARLENRVAL DATA SEQUENCE EEIIARFGRL TVDRDDERLR HFEQIVLGTR HLPVLAGSSP RQSA 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 18 I HA 0.000 nan 4.170 nan 0.000 0.288 18 I C 0.000 176.267 176.117 0.249 0.000 1.063 18 I CA 0.000 61.406 61.300 0.177 0.000 1.566 18 I CB 0.000 38.065 38.000 0.109 0.000 1.214 19 D N 2.155 122.639 120.400 0.140 0.000 2.296 19 D HA 0.142 4.932 4.640 0.251 0.000 0.248 19 D C 0.315 176.703 176.300 0.146 0.000 1.162 19 D CA 1.062 55.122 54.000 0.099 0.000 0.956 19 D CB 0.160 40.969 40.800 0.015 0.000 1.011 19 D HN 0.258 nan 8.370 nan 0.000 0.404 20 E N 0.056 120.269 120.200 0.022 0.000 2.207 20 E HA 0.459 4.960 4.350 0.251 0.000 0.270 20 E C -0.864 175.596 176.600 -0.233 0.000 0.927 20 E CA -0.690 55.694 56.400 -0.027 0.000 0.799 20 E CB 2.830 32.483 29.700 -0.077 0.000 1.172 20 E HN -0.174 nan 8.360 nan 0.000 0.404 21 V N 3.801 123.617 119.914 -0.162 0.000 2.455 21 V HA 0.182 4.452 4.120 0.251 0.000 0.273 21 V C -1.808 174.009 176.094 -0.461 0.000 1.045 21 V CA -1.422 60.589 62.300 -0.482 0.000 0.976 21 V CB -0.041 31.803 31.823 0.036 0.000 0.993 21 V HN 0.629 nan 8.190 nan 0.000 0.475 22 P HA 0.214 nan 4.420 nan 0.000 0.271 22 P C 0.302 177.510 177.300 -0.153 0.000 1.218 22 P CA 0.063 62.920 63.100 -0.404 0.000 0.780 22 P CB 0.733 32.158 31.700 -0.459 0.000 0.901 23 G N 1.812 110.570 108.800 -0.070 0.000 2.606 23 G HA2 0.178 4.289 3.960 0.251 0.000 0.252 23 G HA3 0.178 4.289 3.960 0.251 0.000 0.252 23 G C 1.135 176.071 174.900 0.060 0.000 1.206 23 G CA -0.540 44.573 45.100 0.022 0.000 0.861 23 G HN 0.320 nan 8.290 nan 0.000 0.561 24 M N 1.200 120.869 119.600 0.115 0.000 2.213 24 M HA -0.070 4.560 4.480 0.251 0.000 0.263 24 M C 2.840 179.198 176.300 0.096 0.000 1.062 24 M CA 1.383 56.768 55.300 0.142 0.000 1.105 24 M CB -1.610 31.096 32.600 0.176 0.000 1.385 24 M HN 0.645 nan 8.290 nan 0.000 0.417 25 A N -0.138 122.717 122.820 0.058 0.000 1.908 25 A HA -0.154 4.316 4.320 0.251 0.000 0.218 25 A C 1.238 178.703 177.584 -0.200 0.000 1.181 25 A CA 1.538 53.561 52.037 -0.023 0.000 0.627 25 A CB -0.644 18.351 19.000 -0.008 0.000 0.818 25 A HN 0.430 nan 8.150 nan 0.000 0.445 26 D N -0.235 120.092 120.400 -0.121 0.000 2.494 26 D HA 0.127 4.918 4.640 0.251 0.000 0.217 26 D C 1.024 177.275 176.300 -0.081 0.000 1.153 26 D CA -0.151 53.770 54.000 -0.132 0.000 0.954 26 D CB 0.318 41.060 40.800 -0.097 0.000 1.034 26 D HN 0.538 nan 8.370 nan 0.000 0.518 27 E N 1.680 121.828 120.200 -0.086 0.000 2.085 27 E HA -0.192 4.308 4.350 0.251 0.000 0.194 27 E C 0.890 177.475 176.600 -0.025 0.000 0.994 27 E CA 1.203 57.590 56.400 -0.022 0.000 0.801 27 E CB 0.396 30.098 29.700 0.004 0.000 0.743 27 E HN 0.388 nan 8.360 nan 0.000 0.453 28 T N 0.751 115.281 114.554 -0.039 0.000 2.708 28 T HA -0.139 4.361 4.350 0.251 0.000 0.266 28 T C 1.912 176.596 174.700 -0.028 0.000 1.037 28 T CA 1.552 63.633 62.100 -0.031 0.000 1.146 28 T CB -0.352 68.498 68.868 -0.030 0.000 0.865 28 T HN 0.357 nan 8.240 nan 0.000 0.435 29 A N 1.162 123.961 122.820 -0.035 0.000 1.902 29 A HA 0.015 4.485 4.320 0.251 0.000 0.217 29 A C 2.258 179.837 177.584 -0.008 0.000 1.181 29 A CA 1.271 53.289 52.037 -0.033 0.000 0.623 29 A CB -0.795 18.170 19.000 -0.059 0.000 0.818 29 A HN 0.400 nan 8.150 nan 0.000 0.443 30 L N -0.102 121.118 121.223 -0.005 0.000 1.994 30 L HA -0.124 4.367 4.340 0.251 0.000 0.208 30 L C 2.312 179.216 176.870 0.058 0.000 1.071 30 L CA 1.794 56.658 54.840 0.040 0.000 0.745 30 L CB -0.576 41.521 42.059 0.064 0.000 0.892 30 L HN 0.402 nan 8.230 nan 0.000 0.431 31 L N -0.461 120.770 121.223 0.014 0.000 2.012 31 L HA -0.251 4.239 4.340 0.251 0.000 0.210 31 L C 2.478 179.319 176.870 -0.048 0.000 1.073 31 L CA 1.727 56.553 54.840 -0.022 0.000 0.748 31 L CB -0.929 41.103 42.059 -0.044 0.000 0.891 31 L HN 0.425 nan 8.230 nan 0.000 0.431 32 D N -0.572 119.809 120.400 -0.031 0.000 2.104 32 D HA -0.263 4.527 4.640 0.251 0.000 0.194 32 D C 1.960 178.219 176.300 -0.068 0.000 0.994 32 D CA 1.251 55.223 54.000 -0.048 0.000 0.830 32 D CB -0.097 40.686 40.800 -0.030 0.000 0.959 32 D HN 0.401 nan 8.370 nan 0.000 0.452 33 W N 1.433 122.589 121.300 -0.240 0.000 2.358 33 W HA -0.113 4.694 4.660 0.245 0.000 0.303 33 W C 2.221 178.459 176.519 -0.468 0.000 1.208 33 W CA 1.151 58.292 57.345 -0.340 0.000 1.274 33 W CB -0.563 28.689 29.460 -0.347 0.000 1.138 33 W HN -0.041 nan 8.180 nan 0.000 0.515 34 L N 0.391 121.352 121.223 -0.437 0.000 2.131 34 L HA -0.097 4.393 4.340 0.251 0.000 0.210 34 L C 2.683 179.197 176.870 -0.593 0.000 1.092 34 L CA 1.367 55.781 54.840 -0.710 0.000 0.759 34 L CB -1.518 40.350 42.059 -0.319 0.000 0.903 34 L HN 0.225 nan 8.230 nan 0.000 0.435 35 G N 0.090 108.671 108.800 -0.365 0.000 2.459 35 G HA2 -0.318 3.792 3.960 0.251 0.000 0.217 35 G HA3 -0.318 3.792 3.960 0.251 0.000 0.217 35 G C 1.705 176.401 174.900 -0.340 0.000 1.183 35 G CA 1.436 46.374 45.100 -0.270 0.000 0.776 35 G HN 0.450 nan 8.290 nan 0.000 0.552 36 T N -1.063 113.245 114.554 -0.409 0.000 2.833 36 T HA -0.090 4.410 4.350 0.251 0.000 0.269 36 T C 2.367 176.731 174.700 -0.560 0.000 1.054 36 T CA 1.616 63.467 62.100 -0.415 0.000 1.135 36 T CB -0.212 68.429 68.868 -0.379 0.000 0.869 36 T HN 0.069 nan 8.240 nan 0.000 0.466 37 M N 1.140 120.194 119.600 -0.909 0.000 2.132 37 M HA 0.150 4.781 4.480 0.251 0.000 0.263 37 M C 2.539 178.483 176.300 -0.592 0.000 1.065 37 M CA 1.232 55.892 55.300 -1.066 0.000 1.122 37 M CB -1.095 30.169 32.600 -2.228 0.000 1.365 37 M HN 0.320 nan 8.290 nan 0.000 0.411 38 R N -0.096 120.133 120.500 -0.452 0.000 2.105 38 R HA -0.140 4.351 4.340 0.251 0.000 0.239 38 R C 2.261 178.488 176.300 -0.122 0.000 1.135 38 R CA 1.071 57.077 56.100 -0.157 0.000 0.967 38 R CB -0.212 30.031 30.300 -0.095 0.000 0.861 38 R HN 0.420 nan 8.270 nan 0.000 0.442 39 E N 0.727 120.821 120.200 -0.176 0.000 2.046 39 E HA -0.139 4.361 4.350 0.251 0.000 0.190 39 E C 1.384 177.915 176.600 -0.115 0.000 0.982 39 E CA 1.320 57.644 56.400 -0.127 0.000 0.800 39 E CB 0.296 29.914 29.700 -0.137 0.000 0.756 39 E HN 0.285 nan 8.360 nan 0.000 0.449 40 K N -0.827 119.472 120.400 -0.168 0.000 2.399 40 K HA 0.075 4.545 4.320 0.251 0.000 0.196 40 K C 0.590 177.132 176.600 -0.097 0.000 1.103 40 K CA 0.037 56.247 56.287 -0.128 0.000 0.986 40 K CB 0.893 33.303 32.500 -0.151 0.000 0.952 40 K HN -0.136 nan 8.250 nan 0.000 0.541 41 Q N 0.692 120.416 119.800 -0.128 0.000 3.825 41 Q HA 0.141 4.632 4.340 0.251 0.000 0.218 41 Q C -2.405 173.665 176.000 0.116 0.000 0.882 41 Q CA -1.365 54.436 55.803 -0.003 0.000 0.766 41 Q CB 1.191 29.899 28.738 -0.048 0.000 1.497 41 Q HN -0.149 nan 8.270 nan 0.000 0.428 42 P HA -0.051 nan 4.420 nan 0.000 0.226 42 P C -0.193 177.361 177.300 0.424 0.000 1.153 42 P CA 0.583 63.855 63.100 0.287 0.000 0.777 42 P CB 0.471 32.269 31.700 0.164 0.000 0.794 43 V N 0.496 120.637 119.914 0.379 0.000 2.409 43 V HA 0.382 4.653 4.120 0.251 0.000 0.290 43 V C -1.157 175.266 176.094 0.547 0.000 1.017 43 V CA -0.617 61.935 62.300 0.419 0.000 0.841 43 V CB 1.726 33.758 31.823 0.347 0.000 1.003 43 V HN 0.060 nan 8.190 nan 0.000 0.426 44 W N 4.735 126.249 121.300 0.357 0.000 2.785 44 W HA 0.580 5.388 4.660 0.247 0.000 0.333 44 W C -0.585 175.969 176.519 0.058 0.000 1.062 44 W CA -0.547 56.940 57.345 0.236 0.000 1.233 44 W CB 1.715 31.383 29.460 0.347 0.000 1.413 44 W HN 0.558 nan 8.180 nan 0.000 0.489 45 Q N 4.996 124.213 119.800 -0.972 0.000 2.314 45 Q HA 0.202 4.693 4.340 0.251 0.000 0.259 45 Q C -0.197 174.903 176.000 -1.501 0.000 0.951 45 Q CA -0.545 54.393 55.803 -1.441 0.000 0.909 45 Q CB 1.147 28.794 28.738 -1.817 0.000 1.236 45 Q HN 0.608 nan 8.270 nan 0.000 0.444 46 D N 2.250 121.904 120.400 -1.243 0.000 2.451 46 D HA 0.029 4.820 4.640 0.251 0.000 0.259 46 D C 0.832 176.843 176.300 -0.481 0.000 1.201 46 D CA -0.454 52.937 54.000 -1.015 0.000 1.028 46 D CB 0.598 41.034 40.800 -0.606 0.000 1.095 46 D HN 0.704 nan 8.370 nan 0.000 0.539 47 R N -1.144 119.158 120.500 -0.331 0.000 2.241 47 R HA -0.122 4.368 4.340 0.251 0.000 0.224 47 R C 0.565 176.643 176.300 -0.371 0.000 1.101 47 R CA 1.101 56.994 56.100 -0.344 0.000 0.995 47 R CB -0.628 29.438 30.300 -0.390 0.000 0.870 47 R HN 0.392 nan 8.270 nan 0.000 0.463 48 Y N 0.533 120.783 120.300 -0.084 0.000 2.493 48 Y HA 0.359 5.059 4.550 0.250 0.000 0.275 48 Y C 1.385 177.241 175.900 -0.075 0.000 1.183 48 Y CA -0.320 57.748 58.100 -0.053 0.000 1.258 48 Y CB 0.601 39.053 38.460 -0.013 0.000 1.108 48 Y HN 0.358 nan 8.280 nan 0.000 0.521 49 G N 0.411 109.180 108.800 -0.051 0.000 2.160 49 G HA2 -0.251 3.860 3.960 0.251 0.000 0.251 49 G HA3 -0.251 3.860 3.960 0.251 0.000 0.251 49 G C -0.253 174.611 174.900 -0.060 0.000 1.008 49 G CA 0.287 45.334 45.100 -0.088 0.000 0.724 49 G HN 0.141 nan 8.290 nan 0.000 0.514 50 V N -0.323 119.525 119.914 -0.110 0.000 2.481 50 V HA 0.655 4.925 4.120 0.251 0.000 0.286 50 V C 0.137 176.080 176.094 -0.251 0.000 1.042 50 V CA -0.693 61.557 62.300 -0.082 0.000 0.928 50 V CB 1.180 32.962 31.823 -0.068 0.000 0.986 50 V HN 0.291 nan 8.190 nan 0.000 0.462 51 W N 3.816 124.999 121.300 -0.195 0.000 2.349 51 W HA 0.509 5.318 4.660 0.248 0.000 0.309 51 W C 0.407 176.814 176.519 -0.188 0.000 1.083 51 W CA -0.286 56.989 57.345 -0.116 0.000 1.224 51 W CB 0.541 29.980 29.460 -0.035 0.000 1.256 51 W HN 0.543 nan 8.180 nan 0.000 0.461 52 H N 2.161 121.366 119.070 0.225 0.000 2.463 52 H HA 0.566 5.271 4.556 0.248 0.000 0.332 52 H C -0.709 174.499 175.328 -0.201 0.000 1.127 52 H CA -0.822 55.282 56.048 0.093 0.000 1.238 52 H CB 2.125 32.044 29.762 0.261 0.000 1.478 52 H HN 0.034 nan 8.280 nan 0.000 0.499 53 V N 4.230 124.028 119.914 -0.194 0.000 2.444 53 V HA 0.086 4.357 4.120 0.251 0.000 0.294 53 V C -0.226 175.732 176.094 -0.226 0.000 1.022 53 V CA -0.245 61.948 62.300 -0.180 0.000 0.850 53 V CB 1.036 32.814 31.823 -0.076 0.000 0.992 53 V HN 0.733 nan 8.190 nan 0.000 0.426 54 F N 2.035 122.086 119.950 0.169 0.000 2.694 54 F HA 0.369 5.046 4.527 0.249 0.000 0.292 54 F C 1.398 177.239 175.800 0.069 0.000 1.121 54 F CA -0.279 57.771 58.000 0.082 0.000 1.352 54 F CB 0.495 39.440 39.000 -0.092 0.000 1.107 54 F HN 0.278 nan 8.300 nan 0.000 0.597 55 R N 0.350 120.975 120.500 0.208 0.000 2.404 55 R HA 0.122 4.613 4.340 0.251 0.000 0.291 55 R C 1.237 177.616 176.300 0.132 0.000 1.025 55 R CA -0.386 55.809 56.100 0.157 0.000 0.991 55 R CB 0.660 31.031 30.300 0.119 0.000 1.053 55 R HN 0.133 nan 8.270 nan 0.000 0.479 56 H N 2.720 121.829 119.070 0.064 0.000 2.321 56 H HA -0.224 4.481 4.556 0.249 0.000 0.295 56 H C 1.473 176.796 175.328 -0.008 0.000 1.102 56 H CA 2.638 58.707 56.048 0.035 0.000 1.266 56 H CB 0.341 30.116 29.762 0.022 0.000 1.363 56 H HN 0.759 nan 8.280 nan 0.000 0.492 57 A N 0.802 123.699 122.820 0.127 0.000 1.933 57 A HA -0.171 4.300 4.320 0.251 0.000 0.218 57 A C 2.164 179.735 177.584 -0.023 0.000 1.175 57 A CA 1.833 53.901 52.037 0.052 0.000 0.628 57 A CB -0.275 18.765 19.000 0.066 0.000 0.814 57 A HN 0.488 nan 8.150 nan 0.000 0.444 58 D N -0.333 120.059 120.400 -0.013 0.000 2.123 58 D HA -0.061 4.729 4.640 0.251 0.000 0.200 58 D C 2.113 178.344 176.300 -0.114 0.000 0.976 58 D CA 1.258 55.233 54.000 -0.042 0.000 0.831 58 D CB -0.517 40.283 40.800 -0.001 0.000 0.974 58 D HN 0.213 nan 8.370 nan 0.000 0.469 59 V N 1.179 121.024 119.914 -0.115 0.000 2.287 59 V HA -0.286 3.984 4.120 0.251 0.000 0.248 59 V C 2.660 178.638 176.094 -0.194 0.000 1.053 59 V CA 1.838 64.043 62.300 -0.157 0.000 1.027 59 V CB -0.593 31.155 31.823 -0.125 0.000 0.646 59 V HN 0.210 nan 8.190 nan 0.000 0.447 60 Q N -0.463 119.184 119.800 -0.255 0.000 2.061 60 Q HA -0.237 4.254 4.340 0.251 0.000 0.204 60 Q C 2.285 178.237 176.000 -0.081 0.000 0.984 60 Q CA 2.421 58.076 55.803 -0.247 0.000 0.846 60 Q CB -0.239 28.300 28.738 -0.331 0.000 0.902 60 Q HN 0.681 nan 8.270 nan 0.000 0.421 61 T N 0.168 114.674 114.554 -0.079 0.000 2.684 61 T HA -0.149 4.352 4.350 0.251 0.000 0.267 61 T C 1.837 176.498 174.700 -0.065 0.000 1.036 61 T CA 1.578 63.660 62.100 -0.030 0.000 1.148 61 T CB -0.290 68.565 68.868 -0.022 0.000 0.863 61 T HN 0.126 nan 8.240 nan 0.000 0.436 62 V N 1.442 121.198 119.914 -0.262 0.000 2.307 62 V HA -0.092 4.178 4.120 0.251 0.000 0.245 62 V C 2.487 178.466 176.094 -0.193 0.000 1.045 62 V CA 1.442 63.387 62.300 -0.590 0.000 1.024 62 V CB -0.663 30.643 31.823 -0.862 0.000 0.651 62 V HN 0.447 nan 8.190 nan 0.000 0.449 63 L N -0.659 120.519 121.223 -0.075 0.000 2.141 63 L HA -0.132 4.359 4.340 0.251 0.000 0.209 63 L C 2.729 179.680 176.870 0.135 0.000 1.094 63 L CA 1.448 56.322 54.840 0.058 0.000 0.763 63 L CB -0.558 41.574 42.059 0.121 0.000 0.908 63 L HN 0.255 nan 8.230 nan 0.000 0.437 64 R N -0.452 120.140 120.500 0.153 0.000 2.119 64 R HA -0.070 4.420 4.340 0.251 0.000 0.222 64 R C 0.512 176.888 176.300 0.126 0.000 1.088 64 R CA 0.557 56.743 56.100 0.143 0.000 0.984 64 R CB -0.102 30.292 30.300 0.156 0.000 0.884 64 R HN 0.120 nan 8.270 nan 0.000 0.447 65 D N 0.829 121.334 120.400 0.176 0.000 2.522 65 D HA -0.002 4.788 4.640 0.251 0.000 0.218 65 D C 0.865 177.300 176.300 0.225 0.000 1.149 65 D CA -0.014 54.109 54.000 0.205 0.000 0.981 65 D CB 0.931 41.904 40.800 0.289 0.000 1.041 65 D HN 0.141 nan 8.370 nan 0.000 0.518 66 T N -0.080 114.552 114.554 0.130 0.000 2.904 66 T HA -0.058 4.442 4.350 0.251 0.000 0.267 66 T C 1.929 176.659 174.700 0.050 0.000 1.059 66 T CA 0.777 62.940 62.100 0.104 0.000 1.137 66 T CB -0.050 68.862 68.868 0.074 0.000 0.879 66 T HN 0.199 nan 8.240 nan 0.000 0.467 67 A N 1.753 124.585 122.820 0.019 0.000 1.908 67 A HA -0.058 4.412 4.320 0.251 0.000 0.218 67 A C 2.588 180.112 177.584 -0.099 0.000 1.181 67 A CA 2.187 54.206 52.037 -0.030 0.000 0.627 67 A CB -1.359 17.623 19.000 -0.031 0.000 0.818 67 A HN 0.557 nan 8.150 nan 0.000 0.445 68 T N -1.280 113.176 114.554 -0.165 0.000 2.894 68 T HA 0.157 4.658 4.350 0.251 0.000 0.258 68 T C -0.020 174.340 174.700 -0.565 0.000 1.043 68 T CA 0.654 62.481 62.100 -0.455 0.000 1.141 68 T CB -0.195 68.231 68.868 -0.737 0.000 0.873 68 T HN 0.293 nan 8.240 nan 0.000 0.449 69 F N 2.323 122.251 119.950 -0.037 0.000 2.310 69 F HA 0.487 5.166 4.527 0.253 0.000 0.365 69 F C 0.580 176.356 175.800 -0.041 0.000 1.080 69 F CA -0.973 57.000 58.000 -0.045 0.000 1.187 69 F CB 0.689 39.664 39.000 -0.042 0.000 1.465 69 F HN -0.050 nan 8.300 nan 0.000 0.496 70 S N 0.961 116.694 115.700 0.056 0.000 2.580 70 S HA 0.158 4.778 4.470 0.251 0.000 0.274 70 S C 1.112 175.709 174.600 -0.005 0.000 1.329 70 S CA -0.482 57.729 58.200 0.018 0.000 1.036 70 S CB 1.122 64.311 63.200 -0.018 0.000 0.919 70 S HN 0.496 nan 8.310 nan 0.000 0.515 71 S N 1.989 117.663 115.700 -0.044 0.000 2.593 71 S HA 0.114 4.734 4.470 0.251 0.000 0.217 71 S C -0.065 174.460 174.600 -0.125 0.000 0.966 71 S CA -0.193 57.925 58.200 -0.136 0.000 0.914 71 S CB -0.211 62.796 63.200 -0.321 0.000 0.776 71 S HN 0.782 nan 8.310 nan 0.000 0.523 72 D N 2.408 122.762 120.400 -0.077 0.000 2.428 72 D HA 0.227 5.018 4.640 0.251 0.000 0.221 72 D C -1.845 174.416 176.300 -0.065 0.000 1.123 72 D CA -2.133 51.821 54.000 -0.076 0.000 0.869 72 D CB 1.472 42.242 40.800 -0.050 0.000 1.032 72 D HN 0.072 nan 8.370 nan 0.000 0.506 73 P HA 0.021 nan 4.420 nan 0.000 0.251 73 P C 1.086 178.359 177.300 -0.046 0.000 1.223 73 P CA 0.384 63.451 63.100 -0.055 0.000 0.796 73 P CB 0.172 31.837 31.700 -0.058 0.000 1.068 74 T N -2.924 111.601 114.554 -0.050 0.000 3.067 74 T HA -0.017 4.483 4.350 0.251 0.000 0.261 74 T C 1.953 176.634 174.700 -0.032 0.000 1.110 74 T CA 0.214 62.290 62.100 -0.039 0.000 1.113 74 T CB -0.617 68.226 68.868 -0.041 0.000 0.917 74 T HN -0.022 nan 8.240 nan 0.000 0.499 75 R N 1.323 121.803 120.500 -0.033 0.000 2.170 75 R HA -0.070 4.421 4.340 0.251 0.000 0.242 75 R C 1.998 178.283 176.300 -0.024 0.000 1.145 75 R CA 1.870 57.953 56.100 -0.028 0.000 0.984 75 R CB -0.379 29.902 30.300 -0.030 0.000 0.869 75 R HN 0.547 nan 8.270 nan 0.000 0.455 76 V N -1.874 118.026 119.914 -0.023 0.000 3.621 76 V HA 0.340 4.610 4.120 0.251 0.000 0.285 76 V C 0.490 176.575 176.094 -0.016 0.000 1.346 76 V CA -0.166 62.123 62.300 -0.018 0.000 1.104 76 V CB 0.051 31.866 31.823 -0.014 0.000 0.913 76 V HN 0.010 nan 8.190 nan 0.000 0.432 77 I N 0.924 121.483 120.570 -0.019 0.000 2.362 77 I HA 0.428 4.749 4.170 0.251 0.000 0.289 77 I C 1.404 177.511 176.117 -0.017 0.000 0.994 77 I CA -0.575 60.714 61.300 -0.018 0.000 1.158 77 I CB 1.565 39.552 38.000 -0.021 0.000 1.315 77 I HN 0.009 nan 8.210 nan 0.000 0.451 78 E N 4.394 124.585 120.200 -0.014 0.000 2.358 78 E HA -0.305 4.196 4.350 0.251 0.000 0.250 78 E C 1.538 178.130 176.600 -0.014 0.000 0.987 78 E CA 1.976 58.368 56.400 -0.013 0.000 1.029 78 E CB -0.727 28.967 29.700 -0.011 0.000 0.979 78 E HN 0.993 nan 8.360 nan 0.000 0.533 79 G N -0.116 108.675 108.800 -0.014 0.000 2.616 79 G HA2 -0.230 3.880 3.960 0.251 0.000 0.361 79 G HA3 -0.230 3.880 3.960 0.251 0.000 0.361 79 G C 0.727 175.619 174.900 -0.014 0.000 1.361 79 G CA 2.393 47.484 45.100 -0.015 0.000 0.969 79 G HN 1.074 nan 8.290 nan 0.000 0.528 80 A N -1.666 121.145 122.820 -0.016 0.000 2.736 80 A HA 0.751 5.221 4.320 0.251 0.000 0.222 80 A C 0.727 178.301 177.584 -0.017 0.000 1.267 80 A CA 1.671 53.699 52.037 -0.015 0.000 1.026 80 A CB -0.163 18.830 19.000 -0.013 0.000 1.281 80 A HN 2.908 nan 8.150 nan 0.000 0.577 81 S N -2.248 113.440 115.700 -0.021 0.000 3.852 81 S HA 0.051 4.672 4.470 0.251 0.000 0.592 81 S C -3.315 171.267 174.600 -0.031 0.000 0.739 81 S CA -0.364 57.821 58.200 -0.025 0.000 1.117 81 S CB -1.735 61.453 63.200 -0.020 0.000 0.948 81 S HN 0.186 nan 8.310 nan 0.000 0.686 82 P HA 0.276 nan 4.420 nan 0.000 0.266 82 P C -0.191 177.090 177.300 -0.031 0.000 1.193 82 P CA 0.220 63.291 63.100 -0.050 0.000 0.770 82 P CB -0.001 31.670 31.700 -0.049 0.000 0.836 83 T N 4.932 119.468 114.554 -0.030 0.000 2.799 83 T HA 0.180 4.681 4.350 0.251 0.000 0.296 83 T C -2.132 172.574 174.700 0.010 0.000 0.947 83 T CA -0.788 61.310 62.100 -0.003 0.000 1.141 83 T CB -0.482 68.397 68.868 0.017 0.000 0.891 83 T HN 0.285 nan 8.240 nan 0.000 0.533 84 P HA 0.228 nan 4.420 nan 0.000 0.265 84 P C 1.063 178.387 177.300 0.039 0.000 1.193 84 P CA 0.633 63.743 63.100 0.017 0.000 0.765 84 P CB 0.360 32.065 31.700 0.009 0.000 0.823 85 G N 1.826 110.652 108.800 0.044 0.000 2.176 85 G HA2 -0.205 3.905 3.960 0.251 0.000 0.253 85 G HA3 -0.205 3.905 3.960 0.251 0.000 0.253 85 G C -0.003 174.984 174.900 0.144 0.000 0.979 85 G CA -0.393 44.752 45.100 0.076 0.000 0.641 85 G HN 0.411 nan 8.290 nan 0.000 0.530 86 M N 1.404 121.080 119.600 0.128 0.000 2.088 86 M HA 0.450 5.081 4.480 0.251 0.000 0.346 86 M C 1.817 178.221 176.300 0.173 0.000 1.111 86 M CA -1.240 54.180 55.300 0.201 0.000 1.017 86 M CB 0.590 33.293 32.600 0.171 0.000 1.568 86 M HN 0.359 nan 8.290 nan 0.000 0.445 87 I N 1.111 121.842 120.570 0.267 0.000 3.059 87 I HA -0.093 4.227 4.170 0.251 0.000 0.270 87 I C 1.851 178.210 176.117 0.402 0.000 1.238 87 I CA 0.798 62.271 61.300 0.289 0.000 1.478 87 I CB -0.584 37.563 38.000 0.244 0.000 1.097 87 I HN 0.682 nan 8.210 nan 0.000 0.455 88 H N 0.941 120.123 119.070 0.187 0.000 2.551 88 H HA 0.159 4.877 4.556 0.270 0.000 0.266 88 H C 0.645 175.929 175.328 -0.073 0.000 0.977 88 H CA 0.397 56.479 56.048 0.056 0.000 1.163 88 H CB -0.136 29.604 29.762 -0.038 0.000 1.381 88 H HN 0.454 nan 8.280 nan 0.000 0.581 89 E N 1.231 121.156 120.200 -0.458 0.000 2.501 89 E HA 0.228 4.729 4.350 0.251 0.000 0.200 89 E C 0.742 177.268 176.600 -0.123 0.000 1.016 89 E CA -0.121 56.051 56.400 -0.380 0.000 0.921 89 E CB 0.826 30.251 29.700 -0.458 0.000 1.034 89 E HN 0.665 nan 8.360 nan 0.000 0.468 90 I N -2.575 118.014 120.570 0.031 0.000 2.785 90 I HA 0.538 4.859 4.170 0.251 0.000 0.302 90 I C -0.713 175.517 176.117 0.187 0.000 1.069 90 I CA -0.980 60.379 61.300 0.099 0.000 1.045 90 I CB 2.377 40.439 38.000 0.103 0.000 1.236 90 I HN -0.382 nan 8.210 nan 0.000 0.429 91 D N 3.920 124.391 120.400 0.119 0.000 2.326 91 D HA 0.479 5.269 4.640 0.251 0.000 0.248 91 D C -2.633 173.729 176.300 0.104 0.000 1.001 91 D CA -1.379 52.683 54.000 0.103 0.000 0.961 91 D CB 1.681 42.513 40.800 0.053 0.000 1.183 91 D HN 0.344 nan 8.370 nan 0.000 0.502 92 P HA 0.101 nan 4.420 nan 0.000 0.266 92 P C -1.875 175.447 177.300 0.037 0.000 1.195 92 P CA -0.708 62.429 63.100 0.062 0.000 0.768 92 P CB 0.161 31.882 31.700 0.035 0.000 0.838 93 P HA 0.050 nan 4.420 nan 0.000 0.245 93 P C 1.183 178.496 177.300 0.022 0.000 1.203 93 P CA 0.632 63.745 63.100 0.022 0.000 0.792 93 P CB 0.224 31.927 31.700 0.005 0.000 0.997 94 E N -0.363 119.855 120.200 0.031 0.000 2.150 94 E HA -0.222 4.278 4.350 0.251 0.000 0.193 94 E C 1.857 178.468 176.600 0.019 0.000 0.985 94 E CA 0.547 56.957 56.400 0.017 0.000 0.814 94 E CB -0.291 29.420 29.700 0.017 0.000 0.752 94 E HN 0.353 nan 8.360 nan 0.000 0.466 95 H N 0.771 119.828 119.070 -0.022 0.000 2.290 95 H HA -0.184 4.521 4.556 0.247 0.000 0.298 95 H C 2.270 177.562 175.328 -0.059 0.000 1.087 95 H CA 2.158 58.184 56.048 -0.037 0.000 1.291 95 H CB 0.096 29.810 29.762 -0.080 0.000 1.369 95 H HN -0.000 nan 8.280 nan 0.000 0.492 96 R N 1.174 121.593 120.500 -0.136 0.000 2.091 96 R HA -0.078 4.413 4.340 0.251 0.000 0.238 96 R C 2.462 178.660 176.300 -0.169 0.000 1.136 96 R CA 1.840 57.839 56.100 -0.168 0.000 0.959 96 R CB -1.058 29.215 30.300 -0.045 0.000 0.856 96 R HN 0.402 nan 8.270 nan 0.000 0.437 97 A N 0.236 122.986 122.820 -0.115 0.000 1.873 97 A HA -0.078 4.392 4.320 0.251 0.000 0.215 97 A C 2.071 179.582 177.584 -0.121 0.000 1.186 97 A CA 1.417 53.398 52.037 -0.093 0.000 0.616 97 A CB -0.713 18.251 19.000 -0.059 0.000 0.823 97 A HN 0.355 nan 8.150 nan 0.000 0.442 98 L N -0.132 121.007 121.223 -0.141 0.000 2.056 98 L HA -0.032 4.459 4.340 0.251 0.000 0.207 98 L C 2.438 179.186 176.870 -0.204 0.000 1.078 98 L CA 2.303 57.053 54.840 -0.149 0.000 0.749 98 L CB -0.646 41.348 42.059 -0.108 0.000 0.901 98 L HN 0.472 nan 8.230 nan 0.000 0.433 99 R N -0.512 119.817 120.500 -0.285 0.000 2.120 99 R HA -0.196 4.295 4.340 0.251 0.000 0.234 99 R C 2.255 178.450 176.300 -0.174 0.000 1.123 99 R CA 1.527 57.471 56.100 -0.259 0.000 0.975 99 R CB -0.088 29.984 30.300 -0.381 0.000 0.866 99 R HN 0.331 nan 8.270 nan 0.000 0.446 100 K N -0.094 120.212 120.400 -0.157 0.000 2.026 100 K HA -0.139 4.331 4.320 0.251 0.000 0.208 100 K C 2.043 178.583 176.600 -0.101 0.000 1.048 100 K CA 1.896 58.120 56.287 -0.105 0.000 0.929 100 K CB -0.151 32.297 32.500 -0.088 0.000 0.713 100 K HN 0.218 nan 8.250 nan 0.000 0.439 101 V N -1.839 118.003 119.914 -0.120 0.000 2.307 101 V HA -0.169 4.101 4.120 0.251 0.000 0.245 101 V C 2.025 178.026 176.094 -0.155 0.000 1.045 101 V CA 1.459 63.689 62.300 -0.116 0.000 1.024 101 V CB -0.722 31.037 31.823 -0.107 0.000 0.651 101 V HN 0.024 nan 8.190 nan 0.000 0.449 102 V N 2.163 121.925 119.914 -0.253 0.000 2.343 102 V HA -0.203 4.068 4.120 0.251 0.000 0.247 102 V C 3.011 178.995 176.094 -0.184 0.000 1.051 102 V CA 2.606 64.655 62.300 -0.417 0.000 1.036 102 V CB -0.559 30.778 31.823 -0.810 0.000 0.654 102 V HN 0.872 nan 8.190 nan 0.000 0.451 103 S N -1.766 113.886 115.700 -0.079 0.000 2.522 103 S HA -0.076 4.544 4.470 0.251 0.000 0.227 103 S C 1.925 176.532 174.600 0.013 0.000 0.986 103 S CA 1.106 59.330 58.200 0.039 0.000 0.929 103 S CB -0.070 63.156 63.200 0.043 0.000 0.769 103 S HN 0.427 nan 8.310 nan 0.000 0.529 104 S N 1.389 117.076 115.700 -0.021 0.000 2.423 104 S HA 0.195 4.816 4.470 0.251 0.000 0.231 104 S C 1.987 176.589 174.600 0.004 0.000 1.014 104 S CA 0.967 59.157 58.200 -0.017 0.000 0.965 104 S CB -0.341 62.840 63.200 -0.032 0.000 0.785 104 S HN 0.798 nan 8.310 nan 0.000 0.495 105 A N 0.041 122.877 122.820 0.026 0.000 1.909 105 A HA 0.362 4.832 4.320 0.251 0.000 0.209 105 A C 0.664 178.342 177.584 0.157 0.000 1.247 105 A CA -0.004 52.075 52.037 0.071 0.000 0.660 105 A CB -0.338 18.699 19.000 0.061 0.000 0.910 105 A HN 0.412 nan 8.150 nan 0.000 0.465 106 F N 3.346 123.316 119.950 0.033 0.000 2.567 106 F HA 0.381 5.054 4.527 0.244 0.000 0.352 106 F C 0.771 176.604 175.800 0.055 0.000 1.229 106 F CA -0.157 57.901 58.000 0.095 0.000 1.228 106 F CB -0.140 38.992 39.000 0.220 0.000 1.568 106 F HN 0.190 nan 8.300 nan 0.000 0.634 107 T N 2.478 116.931 114.554 -0.168 0.000 2.944 107 T HA 0.438 4.939 4.350 0.251 0.000 0.284 107 T C -1.883 172.674 174.700 -0.237 0.000 1.010 107 T CA -2.098 59.912 62.100 -0.150 0.000 1.025 107 T CB 1.821 70.646 68.868 -0.072 0.000 1.079 107 T HN 0.143 nan 8.240 nan 0.000 0.516 108 P HA -0.048 nan 4.420 nan 0.000 0.216 108 P C 1.620 178.847 177.300 -0.121 0.000 1.153 108 P CA 0.951 63.969 63.100 -0.137 0.000 0.858 108 P CB 0.089 31.744 31.700 -0.075 0.000 0.789 109 R N -0.958 119.487 120.500 -0.091 0.000 2.092 109 R HA -0.069 4.421 4.340 0.251 0.000 0.231 109 R C 1.946 178.202 176.300 -0.074 0.000 1.119 109 R CA 1.667 57.728 56.100 -0.065 0.000 0.970 109 R CB -0.773 29.501 30.300 -0.043 0.000 0.864 109 R HN 0.106 nan 8.270 nan 0.000 0.440 110 T N 0.961 115.455 114.554 -0.102 0.000 2.720 110 T HA -0.153 4.348 4.350 0.251 0.000 0.268 110 T C 1.729 176.362 174.700 -0.112 0.000 1.037 110 T CA 1.556 63.599 62.100 -0.095 0.000 1.144 110 T CB -0.094 68.703 68.868 -0.119 0.000 0.864 110 T HN 0.198 nan 8.240 nan 0.000 0.444 111 I N 1.448 121.902 120.570 -0.193 0.000 2.193 111 I HA -0.152 4.168 4.170 0.251 0.000 0.240 111 I C 2.852 178.928 176.117 -0.068 0.000 1.084 111 I CA 1.316 62.521 61.300 -0.159 0.000 1.365 111 I CB -0.414 37.441 38.000 -0.240 0.000 1.064 111 I HN 0.307 nan 8.210 nan 0.000 0.410 112 S N 0.236 115.898 115.700 -0.064 0.000 2.382 112 S HA -0.218 4.402 4.470 0.251 0.000 0.228 112 S C 1.605 176.196 174.600 -0.014 0.000 1.027 112 S CA 1.396 59.579 58.200 -0.029 0.000 0.991 112 S CB -0.580 62.605 63.200 -0.026 0.000 0.823 112 S HN 0.342 nan 8.310 nan 0.000 0.469 113 D N 1.803 122.192 120.400 -0.018 0.000 2.265 113 D HA 0.006 4.796 4.640 0.251 0.000 0.208 113 D C 1.633 177.937 176.300 0.006 0.000 0.977 113 D CA 0.644 54.641 54.000 -0.005 0.000 0.871 113 D CB -0.387 40.409 40.800 -0.006 0.000 0.925 113 D HN 0.442 nan 8.370 nan 0.000 0.485 114 L N 0.408 121.636 121.223 0.008 0.000 2.465 114 L HA -0.061 4.429 4.340 0.251 0.000 0.224 114 L C 2.265 179.152 176.870 0.028 0.000 1.145 114 L CA 0.412 55.266 54.840 0.023 0.000 0.834 114 L CB -0.239 41.839 42.059 0.032 0.000 0.944 114 L HN 0.024 nan 8.230 nan 0.000 0.451 115 E N 1.165 121.379 120.200 0.023 0.000 2.049 115 E HA -0.236 4.265 4.350 0.251 0.000 0.198 115 E C -0.531 176.087 176.600 0.030 0.000 1.007 115 E CA 1.647 58.064 56.400 0.029 0.000 0.809 115 E CB -0.550 29.166 29.700 0.026 0.000 0.749 115 E HN 0.294 nan 8.360 nan 0.000 0.450 116 P HA -0.161 nan 4.420 nan 0.000 0.216 116 P C 1.069 178.386 177.300 0.028 0.000 1.150 116 P CA 1.471 64.586 63.100 0.024 0.000 0.837 116 P CB -0.033 31.678 31.700 0.020 0.000 0.786 117 R N 0.041 120.559 120.500 0.031 0.000 2.073 117 R HA -0.003 4.487 4.340 0.251 0.000 0.229 117 R C 2.141 178.465 176.300 0.040 0.000 1.120 117 R CA 1.310 57.431 56.100 0.035 0.000 0.967 117 R CB -1.544 28.780 30.300 0.039 0.000 0.862 117 R HN 0.112 nan 8.270 nan 0.000 0.436 118 I N 0.199 120.795 120.570 0.043 0.000 2.163 118 I HA -0.318 4.003 4.170 0.251 0.000 0.243 118 I C 2.631 178.777 176.117 0.048 0.000 1.085 118 I CA 1.753 63.082 61.300 0.049 0.000 1.347 118 I CB -0.329 37.703 38.000 0.054 0.000 1.044 118 I HN 0.220 nan 8.210 nan 0.000 0.408 119 R N 0.792 121.318 120.500 0.043 0.000 2.081 119 R HA -0.239 4.252 4.340 0.251 0.000 0.235 119 R C 2.005 178.324 176.300 0.033 0.000 1.131 119 R CA 2.241 58.365 56.100 0.040 0.000 0.960 119 R CB -0.248 30.073 30.300 0.035 0.000 0.856 119 R HN 0.335 nan 8.270 nan 0.000 0.436 120 D N -0.633 119.785 120.400 0.029 0.000 2.097 120 D HA -0.127 4.664 4.640 0.251 0.000 0.197 120 D C 1.818 178.133 176.300 0.025 0.000 0.984 120 D CA 1.416 55.430 54.000 0.023 0.000 0.826 120 D CB 0.109 40.923 40.800 0.023 0.000 0.973 120 D HN 0.089 nan 8.370 nan 0.000 0.460 121 V N 0.100 120.035 119.914 0.034 0.000 2.343 121 V HA -0.228 4.043 4.120 0.251 0.000 0.247 121 V C 2.543 178.660 176.094 0.038 0.000 1.051 121 V CA 2.099 64.422 62.300 0.037 0.000 1.036 121 V CB -0.929 30.922 31.823 0.046 0.000 0.654 121 V HN 0.317 nan 8.190 nan 0.000 0.451 122 T N -0.337 114.244 114.554 0.045 0.000 2.652 122 T HA -0.261 4.239 4.350 0.251 0.000 0.267 122 T C 2.054 176.777 174.700 0.037 0.000 1.039 122 T CA 1.965 64.098 62.100 0.055 0.000 1.153 122 T CB -0.278 68.631 68.868 0.069 0.000 0.863 122 T HN 0.377 nan 8.240 nan 0.000 0.428 123 R N 0.742 121.256 120.500 0.022 0.000 2.081 123 R HA -0.086 4.404 4.340 0.251 0.000 0.235 123 R C 2.668 178.960 176.300 -0.014 0.000 1.131 123 R CA 1.665 57.764 56.100 -0.003 0.000 0.960 123 R CB -0.299 29.998 30.300 -0.006 0.000 0.856 123 R HN 0.259 nan 8.270 nan 0.000 0.436 124 S N 0.921 116.619 115.700 -0.003 0.000 2.368 124 S HA -0.112 4.509 4.470 0.251 0.000 0.225 124 S C 1.891 176.484 174.600 -0.012 0.000 1.030 124 S CA 1.222 59.418 58.200 -0.008 0.000 0.999 124 S CB -0.207 62.995 63.200 0.002 0.000 0.844 124 S HN 0.281 nan 8.310 nan 0.000 0.459 125 L N 0.935 122.159 121.223 0.001 0.000 2.046 125 L HA -0.064 4.427 4.340 0.251 0.000 0.208 125 L C 2.215 179.063 176.870 -0.038 0.000 1.077 125 L CA 1.054 55.890 54.840 -0.006 0.000 0.747 125 L CB -0.570 41.501 42.059 0.021 0.000 0.896 125 L HN 0.282 nan 8.230 nan 0.000 0.432 126 L N -0.418 120.793 121.223 -0.020 0.000 2.217 126 L HA -0.112 4.379 4.340 0.251 0.000 0.211 126 L C 2.743 179.573 176.870 -0.067 0.000 1.107 126 L CA 0.717 55.543 54.840 -0.024 0.000 0.783 126 L CB -0.575 41.518 42.059 0.056 0.000 0.919 126 L HN 0.225 nan 8.230 nan 0.000 0.442 127 A N -0.712 122.064 122.820 -0.073 0.000 2.067 127 A HA -0.160 4.311 4.320 0.251 0.000 0.219 127 A C 1.550 179.100 177.584 -0.058 0.000 1.158 127 A CA 1.420 53.410 52.037 -0.079 0.000 0.661 127 A CB -0.215 18.747 19.000 -0.063 0.000 0.801 127 A HN 0.304 nan 8.150 nan 0.000 0.452 128 D N -0.821 119.541 120.400 -0.062 0.000 2.369 128 D HA 0.323 5.113 4.640 0.251 0.000 0.211 128 D C 1.759 178.007 176.300 -0.087 0.000 1.077 128 D CA 0.772 54.738 54.000 -0.056 0.000 0.842 128 D CB 0.270 41.045 40.800 -0.043 0.000 0.947 128 D HN 0.388 nan 8.370 nan 0.000 0.509 129 A N 0.429 123.151 122.820 -0.164 0.000 1.929 129 A HA 0.384 4.855 4.320 0.251 0.000 0.216 129 A C 1.536 179.006 177.584 -0.189 0.000 1.176 129 A CA 1.568 53.383 52.037 -0.371 0.000 0.628 129 A CB -0.245 18.162 19.000 -0.987 0.000 0.816 129 A HN 0.337 nan 8.150 nan 0.000 0.444 130 G N -0.856 107.936 108.800 -0.014 0.000 2.475 130 G HA2 -0.169 3.942 3.960 0.251 0.000 0.223 130 G HA3 -0.169 3.942 3.960 0.251 0.000 0.223 130 G C 0.470 175.513 174.900 0.239 0.000 1.201 130 G CA 0.592 45.758 45.100 0.109 0.000 0.962 130 G HN 0.717 nan 8.290 nan 0.000 0.586 131 E N -0.369 119.966 120.200 0.226 0.000 2.441 131 E HA 0.292 4.792 4.350 0.251 0.000 0.212 131 E C 0.732 177.384 176.600 0.087 0.000 0.840 131 E CA 1.293 57.793 56.400 0.167 0.000 1.143 131 E CB 0.547 30.302 29.700 0.093 0.000 1.153 131 E HN 1.124 nan 8.360 nan 0.000 0.539 132 S N 0.560 116.335 115.700 0.125 0.000 2.605 132 S HA 0.654 5.275 4.470 0.251 0.000 0.308 132 S C -0.880 173.796 174.600 0.126 0.000 1.113 132 S CA -0.740 57.453 58.200 -0.011 0.000 1.049 132 S CB 0.203 63.389 63.200 -0.024 0.000 1.001 132 S HN 0.259 nan 8.310 nan 0.000 0.480 133 F N 0.879 120.781 119.950 -0.081 0.000 2.773 133 F HA 0.615 5.290 4.527 0.247 0.000 0.314 133 F C -1.256 174.513 175.800 -0.051 0.000 1.160 133 F CA -1.172 56.794 58.000 -0.056 0.000 0.920 133 F CB 0.490 39.467 39.000 -0.038 0.000 1.323 133 F HN 0.419 nan 8.300 nan 0.000 0.457 134 D N 1.867 122.371 120.400 0.174 0.000 2.316 134 D HA 0.197 4.987 4.640 0.251 0.000 0.245 134 D C 0.723 177.179 176.300 0.260 0.000 1.171 134 D CA -0.247 53.813 54.000 0.100 0.000 0.856 134 D CB 1.488 42.342 40.800 0.090 0.000 1.090 134 D HN 0.749 nan 8.370 nan 0.000 0.476 135 L N 4.755 126.053 121.223 0.125 0.000 2.079 135 L HA -0.153 4.338 4.340 0.251 0.000 0.210 135 L C 1.677 178.683 176.870 0.227 0.000 1.081 135 L CA 1.575 56.565 54.840 0.250 0.000 0.752 135 L CB -0.163 41.960 42.059 0.106 0.000 0.896 135 L HN 0.462 nan 8.230 nan 0.000 0.433 136 V N -0.425 119.581 119.914 0.153 0.000 2.270 136 V HA -0.248 4.022 4.120 0.251 0.000 0.245 136 V C 2.245 178.424 176.094 0.141 0.000 1.043 136 V CA 1.939 64.320 62.300 0.134 0.000 1.014 136 V CB -0.807 31.012 31.823 -0.006 0.000 0.645 136 V HN 0.417 nan 8.190 nan 0.000 0.447 137 D N 0.093 120.558 120.400 0.107 0.000 2.144 137 D HA -0.128 4.663 4.640 0.251 0.000 0.199 137 D C 2.138 178.526 176.300 0.146 0.000 0.984 137 D CA 1.210 55.269 54.000 0.098 0.000 0.834 137 D CB -0.266 40.586 40.800 0.085 0.000 0.955 137 D HN 0.318 nan 8.370 nan 0.000 0.465 138 V N 0.171 120.188 119.914 0.171 0.000 2.379 138 V HA -0.132 4.138 4.120 0.251 0.000 0.245 138 V C 2.020 178.185 176.094 0.119 0.000 1.044 138 V CA 1.242 63.611 62.300 0.115 0.000 1.036 138 V CB -0.004 31.850 31.823 0.051 0.000 0.664 138 V HN 0.112 nan 8.190 nan 0.000 0.453 139 L N -1.152 120.175 121.223 0.175 0.000 2.691 139 L HA 0.513 5.003 4.340 0.251 0.000 0.185 139 L C 2.126 179.104 176.870 0.181 0.000 1.081 139 L CA 1.609 56.546 54.840 0.162 0.000 0.865 139 L CB -0.637 41.528 42.059 0.177 0.000 1.370 139 L HN 0.061 nan 8.230 nan 0.000 0.488 140 A N -0.766 122.186 122.820 0.219 0.000 2.015 140 A HA -0.119 4.351 4.320 0.251 0.000 0.219 140 A C 2.015 179.779 177.584 0.300 0.000 1.163 140 A CA 1.727 53.902 52.037 0.230 0.000 0.646 140 A CB -0.783 18.353 19.000 0.226 0.000 0.806 140 A HN 0.458 nan 8.150 nan 0.000 0.448 141 F N 0.168 120.182 119.950 0.107 0.000 2.123 141 F HA 0.106 4.782 4.527 0.249 0.000 0.289 141 F C -0.606 175.156 175.800 -0.063 0.000 1.099 141 F CA 1.019 59.080 58.000 0.101 0.000 1.234 141 F CB -0.962 38.131 39.000 0.155 0.000 1.034 141 F HN 0.120 nan 8.300 nan 0.000 0.479 142 P HA -0.126 nan 4.420 nan 0.000 0.217 142 P C 1.925 179.222 177.300 -0.005 0.000 1.151 142 P CA 0.994 64.115 63.100 0.035 0.000 0.828 142 P CB -0.052 31.699 31.700 0.085 0.000 0.788 143 L N 1.408 122.652 121.223 0.035 0.000 1.971 143 L HA -0.094 4.396 4.340 0.251 0.000 0.215 143 L C -0.893 175.975 176.870 -0.005 0.000 1.072 143 L CA 2.914 57.773 54.840 0.032 0.000 0.758 143 L CB -2.369 39.728 42.059 0.064 0.000 0.889 143 L HN 0.039 nan 8.230 nan 0.000 0.433 144 P HA -0.108 nan 4.420 nan 0.000 0.219 144 P C 1.797 179.037 177.300 -0.099 0.000 1.150 144 P CA 2.091 65.164 63.100 -0.046 0.000 0.814 144 P CB -0.274 31.399 31.700 -0.044 0.000 0.787 145 V N -2.603 117.187 119.914 -0.207 0.000 2.453 145 V HA -0.118 4.152 4.120 0.251 0.000 0.247 145 V C 2.314 178.358 176.094 -0.083 0.000 1.048 145 V CA 2.237 64.420 62.300 -0.194 0.000 1.049 145 V CB -2.510 29.105 31.823 -0.347 0.000 0.672 145 V HN 0.007 nan 8.190 nan 0.000 0.457 146 T N 1.425 115.942 114.554 -0.063 0.000 2.708 146 T HA -0.066 4.434 4.350 0.251 0.000 0.266 146 T C 1.956 176.642 174.700 -0.022 0.000 1.037 146 T CA 2.152 64.236 62.100 -0.027 0.000 1.146 146 T CB -0.315 68.583 68.868 0.050 0.000 0.865 146 T HN 0.331 nan 8.240 nan 0.000 0.435 147 I N 1.083 121.657 120.570 0.007 0.000 2.179 147 I HA -0.108 4.212 4.170 0.251 0.000 0.242 147 I C 2.588 178.729 176.117 0.039 0.000 1.088 147 I CA 1.124 62.444 61.300 0.033 0.000 1.357 147 I CB -1.498 36.530 38.000 0.047 0.000 1.051 147 I HN 0.123 nan 8.210 nan 0.000 0.409 148 V N 1.447 121.386 119.914 0.041 0.000 2.343 148 V HA -0.261 4.009 4.120 0.251 0.000 0.247 148 V C 2.866 179.008 176.094 0.079 0.000 1.051 148 V CA 1.788 64.138 62.300 0.083 0.000 1.036 148 V CB -1.190 30.689 31.823 0.094 0.000 0.654 148 V HN 0.459 nan 8.190 nan 0.000 0.451 149 A N -0.179 122.647 122.820 0.009 0.000 1.883 149 A HA -0.281 4.189 4.320 0.251 0.000 0.217 149 A C 2.180 179.678 177.584 -0.142 0.000 1.186 149 A CA 2.127 54.029 52.037 -0.226 0.000 0.624 149 A CB -0.529 18.035 19.000 -0.727 0.000 0.822 149 A HN 0.645 nan 8.150 nan 0.000 0.444 150 E N -0.800 119.369 120.200 -0.052 0.000 2.077 150 E HA -0.190 4.311 4.350 0.251 0.000 0.193 150 E C 1.971 178.605 176.600 0.057 0.000 0.989 150 E CA 1.154 57.592 56.400 0.062 0.000 0.800 150 E CB -0.323 29.432 29.700 0.091 0.000 0.746 150 E HN 0.481 nan 8.360 nan 0.000 0.452 151 L N 1.088 122.349 121.223 0.063 0.000 2.013 151 L HA -0.196 4.295 4.340 0.251 0.000 0.212 151 L C 2.035 178.958 176.870 0.087 0.000 1.073 151 L CA 1.565 56.459 54.840 0.091 0.000 0.753 151 L CB -0.442 41.697 42.059 0.133 0.000 0.890 151 L HN 0.116 nan 8.230 nan 0.000 0.432 152 L N 0.400 121.663 121.223 0.067 0.000 2.275 152 L HA 0.138 4.628 4.340 0.251 0.000 0.215 152 L C 1.750 178.634 176.870 0.023 0.000 1.119 152 L CA 1.340 56.209 54.840 0.048 0.000 0.790 152 L CB -1.627 40.444 42.059 0.019 0.000 0.919 152 L HN 0.626 nan 8.230 nan 0.000 0.443 153 G N -0.754 108.062 108.800 0.027 0.000 2.142 153 G HA2 -0.233 3.877 3.960 0.251 0.000 0.225 153 G HA3 -0.233 3.877 3.960 0.251 0.000 0.225 153 G C 0.196 175.115 174.900 0.032 0.000 1.015 153 G CA 0.049 45.169 45.100 0.033 0.000 0.716 153 G HN 0.273 nan 8.290 nan 0.000 0.508 154 L N 0.366 121.613 121.223 0.039 0.000 2.349 154 L HA 0.403 4.894 4.340 0.251 0.000 0.275 154 L C -1.716 175.254 176.870 0.166 0.000 1.115 154 L CA -2.139 52.742 54.840 0.068 0.000 0.820 154 L CB 0.730 42.762 42.059 -0.046 0.000 1.135 154 L HN -0.103 nan 8.230 nan 0.000 0.445 155 P HA 0.070 nan 4.420 nan 0.000 0.265 155 P C -2.057 175.171 177.300 -0.121 0.000 1.193 155 P CA -0.982 62.124 63.100 0.009 0.000 0.765 155 P CB 0.231 31.941 31.700 0.018 0.000 0.823 156 P HA -0.211 nan 4.420 nan 0.000 0.218 156 P C 1.433 178.468 177.300 -0.442 0.000 1.146 156 P CA 1.813 64.451 63.100 -0.770 0.000 0.820 156 P CB -0.512 30.950 31.700 -0.397 0.000 0.778 157 M N -2.343 117.145 119.600 -0.187 0.000 2.358 157 M HA -0.067 4.563 4.480 0.251 0.000 0.264 157 M C 0.579 176.854 176.300 -0.042 0.000 1.064 157 M CA 1.779 57.025 55.300 -0.089 0.000 1.093 157 M CB -1.677 30.895 32.600 -0.046 0.000 1.401 157 M HN -0.102 nan 8.290 nan 0.000 0.440 158 D N -0.177 120.227 120.400 0.008 0.000 2.354 158 D HA 0.043 4.834 4.640 0.251 0.000 0.209 158 D C 1.903 178.241 176.300 0.063 0.000 1.015 158 D CA 0.486 54.508 54.000 0.038 0.000 0.867 158 D CB -0.353 40.531 40.800 0.139 0.000 0.933 158 D HN 0.560 nan 8.370 nan 0.000 0.520 159 H N 0.301 119.337 119.070 -0.057 0.000 2.389 159 H HA -0.054 4.655 4.556 0.255 0.000 0.299 159 H C 1.885 177.211 175.328 -0.003 0.000 1.081 159 H CA 0.813 56.859 56.048 -0.002 0.000 1.345 159 H CB 0.540 30.307 29.762 0.007 0.000 1.393 159 H HN 0.213 nan 8.280 nan 0.000 0.520 160 E N 1.003 121.244 120.200 0.069 0.000 2.047 160 E HA -0.227 4.273 4.350 0.251 0.000 0.191 160 E C 2.283 178.808 176.600 -0.124 0.000 0.987 160 E CA 0.969 57.360 56.400 -0.015 0.000 0.799 160 E CB 0.174 29.853 29.700 -0.035 0.000 0.752 160 E HN 0.247 nan 8.360 nan 0.000 0.449 161 Q N 0.154 119.805 119.800 -0.248 0.000 2.119 161 Q HA -0.142 4.349 4.340 0.251 0.000 0.201 161 Q C 1.789 177.383 176.000 -0.677 0.000 0.972 161 Q CA 1.459 56.909 55.803 -0.587 0.000 0.847 161 Q CB -0.567 27.713 28.738 -0.764 0.000 0.903 161 Q HN 0.412 nan 8.270 nan 0.000 0.433 162 F N -0.454 119.203 119.950 -0.489 0.000 2.069 162 F HA -0.137 4.544 4.527 0.256 0.000 0.298 162 F C 1.930 177.683 175.800 -0.078 0.000 1.113 162 F CA 1.471 59.361 58.000 -0.182 0.000 1.214 162 F CB -0.377 38.549 39.000 -0.124 0.000 0.978 162 F HN 0.299 nan 8.300 nan 0.000 0.474 163 G N -0.656 108.124 108.800 -0.033 0.000 2.422 163 G HA2 -0.250 3.860 3.960 0.251 0.000 0.218 163 G HA3 -0.250 3.860 3.960 0.251 0.000 0.218 163 G C 1.206 176.081 174.900 -0.042 0.000 1.140 163 G CA 1.027 46.064 45.100 -0.105 0.000 0.775 163 G HN 0.283 nan 8.290 nan 0.000 0.545 164 D N 0.118 120.463 120.400 -0.092 0.000 2.104 164 D HA -0.100 4.690 4.640 0.251 0.000 0.194 164 D C 2.155 178.461 176.300 0.011 0.000 0.994 164 D CA 0.667 54.622 54.000 -0.076 0.000 0.830 164 D CB -0.223 40.448 40.800 -0.214 0.000 0.959 164 D HN 0.390 nan 8.370 nan 0.000 0.452 165 W N 1.093 122.369 121.300 -0.040 0.000 2.358 165 W HA -0.037 4.770 4.660 0.246 0.000 0.303 165 W C 2.727 179.194 176.519 -0.086 0.000 1.208 165 W CA 0.495 57.800 57.345 -0.065 0.000 1.274 165 W CB -1.344 28.055 29.460 -0.102 0.000 1.138 165 W HN -0.028 nan 8.180 nan 0.000 0.515 166 S N 0.049 115.805 115.700 0.093 0.000 2.345 166 S HA -0.082 4.539 4.470 0.251 0.000 0.220 166 S C 2.146 176.768 174.600 0.037 0.000 1.031 166 S CA 1.918 60.139 58.200 0.034 0.000 0.996 166 S CB -0.860 62.360 63.200 0.033 0.000 0.882 166 S HN 0.209 nan 8.310 nan 0.000 0.445 167 G N 0.966 109.858 108.800 0.153 0.000 2.469 167 G HA2 -0.181 3.930 3.960 0.251 0.000 0.219 167 G HA3 -0.181 3.930 3.960 0.251 0.000 0.219 167 G C 1.632 176.639 174.900 0.178 0.000 1.150 167 G CA 1.178 46.420 45.100 0.236 0.000 0.763 167 G HN 0.682 nan 8.290 nan 0.000 0.561 168 A N 0.352 123.260 122.820 0.146 0.000 1.933 168 A HA 0.131 4.602 4.320 0.251 0.000 0.218 168 A C 2.455 180.092 177.584 0.088 0.000 1.175 168 A CA 1.297 53.409 52.037 0.124 0.000 0.628 168 A CB -0.356 18.726 19.000 0.138 0.000 0.814 168 A HN 0.368 nan 8.150 nan 0.000 0.444 169 L N -0.720 120.538 121.223 0.059 0.000 2.093 169 L HA -0.148 4.343 4.340 0.251 0.000 0.208 169 L C 2.520 179.400 176.870 0.017 0.000 1.085 169 L CA 0.910 55.762 54.840 0.020 0.000 0.755 169 L CB -0.519 41.530 42.059 -0.016 0.000 0.904 169 L HN 0.237 nan 8.230 nan 0.000 0.435 170 V N -0.137 119.768 119.914 -0.015 0.000 2.295 170 V HA -0.306 3.965 4.120 0.251 0.000 0.246 170 V C 2.139 178.340 176.094 0.177 0.000 1.049 170 V CA 1.954 64.277 62.300 0.038 0.000 1.024 170 V CB -0.518 31.257 31.823 -0.080 0.000 0.648 170 V HN 0.451 nan 8.190 nan 0.000 0.447 171 D N 0.059 120.545 120.400 0.145 0.000 2.133 171 D HA -0.175 4.615 4.640 0.251 0.000 0.195 171 D C 2.005 178.356 176.300 0.085 0.000 0.997 171 D CA 1.443 55.503 54.000 0.100 0.000 0.840 171 D CB -0.293 40.557 40.800 0.084 0.000 0.947 171 D HN 0.421 nan 8.370 nan 0.000 0.452 172 I N 0.939 121.559 120.570 0.084 0.000 2.335 172 I HA -0.262 4.059 4.170 0.251 0.000 0.251 172 I C 2.246 178.420 176.117 0.094 0.000 1.129 172 I CA 0.993 62.335 61.300 0.070 0.000 1.402 172 I CB -0.240 37.791 38.000 0.052 0.000 1.069 172 I HN 0.008 nan 8.210 nan 0.000 0.424 173 Q N 0.030 119.920 119.800 0.149 0.000 2.437 173 Q HA -0.089 4.401 4.340 0.251 0.000 0.210 173 Q C 1.992 178.172 176.000 0.300 0.000 0.972 173 Q CA 0.945 56.878 55.803 0.217 0.000 0.903 173 Q CB -0.004 28.882 28.738 0.247 0.000 0.967 173 Q HN 0.604 nan 8.270 nan 0.000 0.486 174 M N 0.253 119.960 119.600 0.178 0.000 2.618 174 M HA 0.011 4.641 4.480 0.251 0.000 0.240 174 M C -0.260 176.067 176.300 0.046 0.000 1.123 174 M CA 0.442 55.765 55.300 0.039 0.000 1.060 174 M CB 0.363 32.895 32.600 -0.113 0.000 1.535 174 M HN -0.084 nan 8.290 nan 0.000 0.507 175 D N 0.713 121.152 120.400 0.066 0.000 2.277 175 D HA 0.091 4.882 4.640 0.251 0.000 0.250 175 D C -0.616 175.717 176.300 0.055 0.000 1.032 175 D CA -0.319 53.710 54.000 0.048 0.000 0.947 175 D CB 0.841 41.664 40.800 0.039 0.000 1.159 175 D HN -0.060 nan 8.370 nan 0.000 0.460 176 D N 1.259 121.684 120.400 0.042 0.000 2.434 176 D HA -0.010 4.780 4.640 0.251 0.000 0.252 176 D C -1.456 174.865 176.300 0.034 0.000 1.185 176 D CA -1.297 52.728 54.000 0.041 0.000 0.886 176 D CB 1.099 41.918 40.800 0.032 0.000 1.148 176 D HN 0.013 nan 8.370 nan 0.000 0.483 177 P HA -0.096 nan 4.420 nan 0.000 0.226 177 P C 0.890 178.191 177.300 0.002 0.000 1.153 177 P CA 0.911 64.024 63.100 0.022 0.000 0.777 177 P CB -0.020 31.697 31.700 0.028 0.000 0.794 178 T N -4.787 109.768 114.554 0.002 0.000 3.107 178 T HA 0.026 4.526 4.350 0.251 0.000 0.249 178 T C 0.669 175.363 174.700 -0.010 0.000 1.096 178 T CA -0.292 61.796 62.100 -0.020 0.000 1.012 178 T CB -0.737 68.118 68.868 -0.022 0.000 0.977 178 T HN -0.092 nan 8.240 nan 0.000 0.527 179 D N 3.640 124.042 120.400 0.002 0.000 2.412 179 D HA 0.077 4.867 4.640 0.251 0.000 0.257 179 D C -1.275 175.024 176.300 -0.002 0.000 1.217 179 D CA -2.014 51.989 54.000 0.005 0.000 0.897 179 D CB 1.663 42.469 40.800 0.012 0.000 1.132 179 D HN 0.115 nan 8.370 nan 0.000 0.493 180 P HA -0.046 nan 4.420 nan 0.000 0.230 180 P C 0.590 177.888 177.300 -0.004 0.000 1.158 180 P CA 0.460 63.555 63.100 -0.008 0.000 0.769 180 P CB 0.202 31.897 31.700 -0.007 0.000 0.807 181 A N -0.757 122.064 122.820 0.001 0.000 2.251 181 A HA 0.096 4.567 4.320 0.251 0.000 0.209 181 A C 2.097 179.684 177.584 0.004 0.000 1.187 181 A CA -0.052 51.987 52.037 0.003 0.000 0.823 181 A CB -1.088 17.916 19.000 0.007 0.000 0.846 181 A HN 0.070 nan 8.150 nan 0.000 0.486 182 L N -0.553 120.672 121.223 0.003 0.000 1.990 182 L HA -0.292 4.198 4.340 0.251 0.000 0.213 182 L C 3.069 179.940 176.870 0.002 0.000 1.072 182 L CA 1.939 56.782 54.840 0.006 0.000 0.755 182 L CB -0.708 41.353 42.059 0.004 0.000 0.889 182 L HN 0.499 nan 8.230 nan 0.000 0.432 183 A N -0.275 122.543 122.820 -0.004 0.000 1.908 183 A HA -0.261 4.209 4.320 0.251 0.000 0.218 183 A C 1.998 179.578 177.584 -0.006 0.000 1.181 183 A CA 2.077 54.109 52.037 -0.008 0.000 0.627 183 A CB -0.454 18.539 19.000 -0.011 0.000 0.818 183 A HN 0.479 nan 8.150 nan 0.000 0.445 184 E N -0.522 119.676 120.200 -0.003 0.000 2.107 184 E HA -0.081 4.419 4.350 0.251 0.000 0.191 184 E C 2.225 178.827 176.600 0.003 0.000 0.982 184 E CA 1.079 57.478 56.400 -0.001 0.000 0.809 184 E CB -0.164 29.537 29.700 0.001 0.000 0.756 184 E HN 0.594 nan 8.360 nan 0.000 0.459 185 R N 0.229 120.734 120.500 0.007 0.000 2.081 185 R HA -0.050 4.440 4.340 0.251 0.000 0.235 185 R C 2.277 178.584 176.300 0.011 0.000 1.131 185 R CA 1.179 57.287 56.100 0.014 0.000 0.960 185 R CB -0.387 29.924 30.300 0.019 0.000 0.856 185 R HN 0.177 nan 8.270 nan 0.000 0.436 186 I N 0.625 121.198 120.570 0.003 0.000 2.163 186 I HA -0.299 4.021 4.170 0.251 0.000 0.243 186 I C 2.579 178.684 176.117 -0.020 0.000 1.085 186 I CA 1.410 62.706 61.300 -0.006 0.000 1.347 186 I CB -0.451 37.543 38.000 -0.011 0.000 1.044 186 I HN 0.217 nan 8.210 nan 0.000 0.408 187 A N 0.440 123.248 122.820 -0.019 0.000 1.940 187 A HA -0.248 4.222 4.320 0.251 0.000 0.219 187 A C 1.816 179.380 177.584 -0.033 0.000 1.176 187 A CA 2.163 54.182 52.037 -0.029 0.000 0.631 187 A CB -0.613 18.375 19.000 -0.020 0.000 0.814 187 A HN 0.384 nan 8.150 nan 0.000 0.446 188 D N -0.905 119.487 120.400 -0.014 0.000 2.348 188 D HA 0.013 4.803 4.640 0.251 0.000 0.216 188 D C 1.662 177.958 176.300 -0.007 0.000 0.970 188 D CA 0.968 54.966 54.000 -0.003 0.000 0.889 188 D CB 0.136 40.948 40.800 0.020 0.000 0.912 188 D HN 0.317 nan 8.370 nan 0.000 0.524 189 V N 0.072 119.970 119.914 -0.026 0.000 2.908 189 V HA 0.005 4.275 4.120 0.251 0.000 0.240 189 V C 1.964 177.933 176.094 -0.208 0.000 1.117 189 V CA 0.150 62.421 62.300 -0.048 0.000 1.133 189 V CB 0.054 31.900 31.823 0.038 0.000 0.857 189 V HN 0.088 nan 8.190 nan 0.000 0.478 190 L N 1.229 122.364 121.223 -0.146 0.000 2.093 190 L HA -0.041 4.449 4.340 0.251 0.000 0.208 190 L C 2.088 178.834 176.870 -0.207 0.000 1.085 190 L CA 1.831 56.569 54.840 -0.169 0.000 0.755 190 L CB -1.003 40.998 42.059 -0.097 0.000 0.904 190 L HN 0.272 nan 8.230 nan 0.000 0.435 191 N N 0.574 119.174 118.700 -0.166 0.000 2.013 191 N HA -0.133 4.757 4.740 0.251 0.000 0.195 191 N C -0.829 174.548 175.510 -0.222 0.000 1.051 191 N CA 2.243 55.205 53.050 -0.146 0.000 0.851 191 N CB -1.912 36.523 38.487 -0.085 0.000 1.044 191 N HN 0.349 nan 8.380 nan 0.000 0.422 192 P HA -0.111 nan 4.420 nan 0.000 0.216 192 P C 1.800 178.577 177.300 -0.871 0.000 1.150 192 P CA 0.863 63.706 63.100 -0.427 0.000 0.837 192 P CB 0.041 31.551 31.700 -0.316 0.000 0.786 193 L N 0.098 120.619 121.223 -1.171 0.000 2.046 193 L HA -0.083 4.408 4.340 0.251 0.000 0.208 193 L C 2.178 178.875 176.870 -0.289 0.000 1.077 193 L CA 2.303 56.540 54.840 -1.004 0.000 0.747 193 L CB -1.751 39.932 42.059 -0.628 0.000 0.896 193 L HN -0.103 nan 8.230 nan 0.000 0.432 194 T N -0.032 114.390 114.554 -0.220 0.000 2.812 194 T HA -0.057 4.443 4.350 0.251 0.000 0.264 194 T C 1.946 176.622 174.700 -0.041 0.000 1.042 194 T CA 1.183 63.236 62.100 -0.078 0.000 1.140 194 T CB -0.530 68.292 68.868 -0.076 0.000 0.870 194 T HN 0.529 nan 8.240 nan 0.000 0.445 195 A N 1.034 123.810 122.820 -0.073 0.000 1.873 195 A HA -0.196 4.274 4.320 0.251 0.000 0.218 195 A C 2.076 179.678 177.584 0.032 0.000 1.193 195 A CA 2.078 54.101 52.037 -0.023 0.000 0.629 195 A CB -1.273 17.712 19.000 -0.025 0.000 0.826 195 A HN 0.617 nan 8.150 nan 0.000 0.447 196 Y N 0.272 120.536 120.300 -0.061 0.000 2.114 196 Y HA -0.208 4.492 4.550 0.249 0.000 0.282 196 Y C 2.001 177.945 175.900 0.073 0.000 1.165 196 Y CA 2.120 60.258 58.100 0.062 0.000 1.148 196 Y CB -0.315 38.260 38.460 0.192 0.000 0.972 196 Y HN 0.224 nan 8.280 nan 0.000 0.504 197 L N 0.160 121.437 121.223 0.089 0.000 2.109 197 L HA -0.182 4.308 4.340 0.251 0.000 0.207 197 L C 2.630 179.462 176.870 -0.063 0.000 1.086 197 L CA 1.628 56.473 54.840 0.009 0.000 0.760 197 L CB -0.506 41.656 42.059 0.170 0.000 0.910 197 L HN 0.163 nan 8.230 nan 0.000 0.437 198 K N 0.352 120.733 120.400 -0.031 0.000 2.057 198 K HA -0.198 4.272 4.320 0.251 0.000 0.207 198 K C 2.092 178.656 176.600 -0.059 0.000 1.049 198 K CA 1.375 57.644 56.287 -0.031 0.000 0.931 198 K CB -0.080 32.410 32.500 -0.016 0.000 0.714 198 K HN 0.278 nan 8.250 nan 0.000 0.440 199 A N 0.818 123.584 122.820 -0.089 0.000 1.972 199 A HA -0.133 4.338 4.320 0.251 0.000 0.219 199 A C 2.058 179.554 177.584 -0.146 0.000 1.169 199 A CA 1.391 53.367 52.037 -0.103 0.000 0.635 199 A CB -0.353 18.591 19.000 -0.094 0.000 0.810 199 A HN 0.217 nan 8.150 nan 0.000 0.446 200 R N -0.869 119.493 120.500 -0.229 0.000 2.115 200 R HA -0.022 4.468 4.340 0.251 0.000 0.226 200 R C 2.056 178.294 176.300 -0.103 0.000 1.100 200 R CA 1.485 57.460 56.100 -0.207 0.000 0.980 200 R CB -1.071 29.048 30.300 -0.302 0.000 0.875 200 R HN 0.611 nan 8.270 nan 0.000 0.445 201 C N -0.606 118.649 119.300 -0.074 0.000 2.432 201 C HA -0.030 4.580 4.460 0.251 0.000 0.277 201 C C 2.714 177.685 174.990 -0.031 0.000 1.249 201 C CA 0.764 59.762 59.018 -0.033 0.000 1.725 201 C CB -1.108 26.625 27.740 -0.013 0.000 2.028 201 C HN 0.606 nan 8.230 nan 0.000 0.477 202 A N 0.502 123.300 122.820 -0.037 0.000 1.908 202 A HA -0.241 4.229 4.320 0.251 0.000 0.218 202 A C 2.024 179.591 177.584 -0.028 0.000 1.181 202 A CA 1.924 53.944 52.037 -0.028 0.000 0.627 202 A CB -0.587 18.396 19.000 -0.028 0.000 0.818 202 A HN 0.729 nan 8.150 nan 0.000 0.445 203 E N -0.851 119.325 120.200 -0.040 0.000 2.047 203 E HA -0.167 4.333 4.350 0.251 0.000 0.191 203 E C 2.291 178.876 176.600 -0.025 0.000 0.987 203 E CA 0.881 57.260 56.400 -0.035 0.000 0.799 203 E CB -0.122 29.548 29.700 -0.050 0.000 0.752 203 E HN 0.334 nan 8.360 nan 0.000 0.449 204 R N 0.575 121.059 120.500 -0.026 0.000 2.115 204 R HA -0.059 4.432 4.340 0.251 0.000 0.230 204 R C 2.143 178.438 176.300 -0.009 0.000 1.111 204 R CA 0.727 56.819 56.100 -0.014 0.000 0.976 204 R CB -0.547 29.748 30.300 -0.009 0.000 0.870 204 R HN 0.151 nan 8.270 nan 0.000 0.445 205 R N 0.498 120.992 120.500 -0.011 0.000 2.096 205 R HA -0.044 4.446 4.340 0.251 0.000 0.235 205 R C 2.025 178.321 176.300 -0.008 0.000 1.127 205 R CA 1.439 57.534 56.100 -0.008 0.000 0.968 205 R CB -0.131 30.164 30.300 -0.009 0.000 0.861 205 R HN 0.210 nan 8.270 nan 0.000 0.440 206 A N -0.204 122.610 122.820 -0.010 0.000 1.969 206 A HA -0.100 4.371 4.320 0.251 0.000 0.218 206 A C 0.349 177.929 177.584 -0.006 0.000 1.169 206 A CA 1.308 53.340 52.037 -0.008 0.000 0.635 206 A CB 0.172 19.167 19.000 -0.009 0.000 0.810 206 A HN 0.341 nan 8.150 nan 0.000 0.445 207 D N -1.185 119.212 120.400 -0.007 0.000 2.337 207 D HA 0.357 5.147 4.640 0.251 0.000 0.238 207 D C -3.220 173.079 176.300 -0.003 0.000 1.331 207 D CA -1.560 52.438 54.000 -0.004 0.000 0.967 207 D CB 1.253 42.050 40.800 -0.004 0.000 1.382 207 D HN -0.019 nan 8.370 nan 0.000 0.549 208 P HA 0.459 nan 4.420 nan 0.000 0.279 208 P C 0.162 177.465 177.300 0.004 0.000 1.239 208 P CA -0.235 62.866 63.100 0.002 0.000 0.789 208 P CB 1.715 33.416 31.700 0.002 0.000 0.933 209 G N 0.654 109.458 108.800 0.007 0.000 3.122 209 G HA2 0.360 4.471 3.960 0.251 0.000 0.180 209 G HA3 0.360 4.471 3.960 0.251 0.000 0.180 209 G C -1.199 173.709 174.900 0.014 0.000 1.279 209 G CA -0.408 44.697 45.100 0.010 0.000 0.987 209 G HN 0.422 nan 8.290 nan 0.000 0.589 210 D N 0.415 120.826 120.400 0.017 0.000 2.795 210 D HA 0.234 5.025 4.640 0.251 0.000 0.335 210 D C -0.432 175.886 176.300 0.030 0.000 1.262 210 D CA -0.488 53.526 54.000 0.022 0.000 0.885 210 D CB -0.060 40.751 40.800 0.018 0.000 1.047 210 D HN 0.354 nan 8.370 nan 0.000 0.500 211 D N -0.000 120.421 120.400 0.035 0.000 2.440 211 D HA 0.043 4.833 4.640 0.251 0.000 0.258 211 D C 1.177 177.515 176.300 0.064 0.000 1.092 211 D CA -0.736 53.293 54.000 0.047 0.000 1.016 211 D CB 1.558 42.382 40.800 0.039 0.000 1.141 211 D HN 0.082 nan 8.370 nan 0.000 0.552 212 L N 0.366 121.644 121.223 0.091 0.000 2.093 212 L HA -0.026 4.464 4.340 0.251 0.000 0.208 212 L C 2.141 179.077 176.870 0.110 0.000 1.085 212 L CA 1.273 56.191 54.840 0.130 0.000 0.755 212 L CB -0.628 41.549 42.059 0.197 0.000 0.904 212 L HN 0.531 nan 8.230 nan 0.000 0.435 213 I N -1.461 119.157 120.570 0.080 0.000 2.315 213 I HA -0.269 4.052 4.170 0.251 0.000 0.248 213 I C 2.352 178.495 176.117 0.043 0.000 1.117 213 I CA 1.139 62.476 61.300 0.062 0.000 1.404 213 I CB -0.407 37.611 38.000 0.030 0.000 1.071 213 I HN 0.167 nan 8.210 nan 0.000 0.419 214 S N 0.446 116.166 115.700 0.034 0.000 2.368 214 S HA -0.163 4.457 4.470 0.251 0.000 0.225 214 S C 2.089 176.705 174.600 0.027 0.000 1.030 214 S CA 1.247 59.461 58.200 0.023 0.000 0.999 214 S CB -0.265 62.947 63.200 0.019 0.000 0.844 214 S HN 0.360 nan 8.310 nan 0.000 0.459 215 R N 0.544 121.069 120.500 0.041 0.000 2.081 215 R HA -0.002 4.489 4.340 0.251 0.000 0.235 215 R C 2.261 178.580 176.300 0.032 0.000 1.131 215 R CA 1.047 57.170 56.100 0.039 0.000 0.960 215 R CB -0.511 29.823 30.300 0.058 0.000 0.856 215 R HN 0.366 nan 8.270 nan 0.000 0.436 216 L N 0.398 121.648 121.223 0.047 0.000 2.017 216 L HA -0.173 4.317 4.340 0.251 0.000 0.208 216 L C 2.498 179.372 176.870 0.007 0.000 1.073 216 L CA 1.277 56.133 54.840 0.028 0.000 0.745 216 L CB -0.600 41.500 42.059 0.068 0.000 0.894 216 L HN 0.164 nan 8.230 nan 0.000 0.432 217 V N -3.139 116.782 119.914 0.013 0.000 2.809 217 V HA -0.153 4.117 4.120 0.251 0.000 0.256 217 V C 1.986 178.078 176.094 -0.003 0.000 1.080 217 V CA 1.238 63.540 62.300 0.002 0.000 1.102 217 V CB -0.456 31.369 31.823 0.003 0.000 0.705 217 V HN 0.355 nan 8.190 nan 0.000 0.475 218 L N 0.734 121.956 121.223 -0.001 0.000 2.416 218 L HA 0.459 4.949 4.340 0.251 0.000 0.216 218 L C 1.808 178.673 176.870 -0.010 0.000 1.098 218 L CA 0.456 55.294 54.840 -0.004 0.000 0.840 218 L CB -0.350 41.709 42.059 0.001 0.000 0.981 218 L HN 0.383 nan 8.230 nan 0.000 0.462 219 A N 1.036 123.848 122.820 -0.014 0.000 2.498 219 A HA 0.179 4.649 4.320 0.251 0.000 0.239 219 A C 0.084 177.651 177.584 -0.030 0.000 1.068 219 A CA 0.472 52.495 52.037 -0.024 0.000 0.766 219 A CB 0.144 19.122 19.000 -0.036 0.000 1.003 219 A HN 0.319 nan 8.150 nan 0.000 0.497 220 E N 1.443 121.625 120.200 -0.030 0.000 2.343 220 E HA 0.498 4.999 4.350 0.251 0.000 0.288 220 E C -2.067 174.514 176.600 -0.033 0.000 0.907 220 E CA -0.404 55.977 56.400 -0.031 0.000 0.792 220 E CB 1.794 31.480 29.700 -0.024 0.000 1.275 220 E HN 0.442 nan 8.360 nan 0.000 0.402 221 V N 4.174 124.065 119.914 -0.038 0.000 2.577 221 V HA 0.258 4.528 4.120 0.251 0.000 0.303 221 V C -0.586 175.486 176.094 -0.035 0.000 1.042 221 V CA -0.726 61.551 62.300 -0.038 0.000 0.872 221 V CB 1.814 33.609 31.823 -0.046 0.000 0.998 221 V HN 0.905 nan 8.190 nan 0.000 0.423 222 D N 4.119 124.502 120.400 -0.029 0.000 2.689 222 D HA -0.198 4.592 4.640 0.251 0.000 0.237 222 D C 1.382 177.667 176.300 -0.025 0.000 1.148 222 D CA 1.666 55.650 54.000 -0.026 0.000 0.656 222 D CB -1.050 39.733 40.800 -0.028 0.000 1.050 222 D HN 1.464 nan 8.370 nan 0.000 0.426 223 G N -0.162 108.624 108.800 -0.023 0.000 2.228 223 G HA2 -0.429 3.682 3.960 0.251 0.000 0.270 223 G HA3 -0.429 3.682 3.960 0.251 0.000 0.270 223 G C 0.483 175.368 174.900 -0.024 0.000 0.976 223 G CA 0.797 45.884 45.100 -0.021 0.000 0.636 223 G HN 0.636 nan 8.290 nan 0.000 0.542 224 R N 0.995 121.477 120.500 -0.030 0.000 2.248 224 R HA 0.672 5.162 4.340 0.251 0.000 0.328 224 R C 0.345 176.623 176.300 -0.037 0.000 1.067 224 R CA 0.754 56.834 56.100 -0.034 0.000 0.924 224 R CB 0.302 30.577 30.300 -0.041 0.000 1.013 224 R HN 0.766 nan 8.270 nan 0.000 0.454 225 A N 4.875 127.675 122.820 -0.032 0.000 2.354 225 A HA 0.609 5.080 4.320 0.251 0.000 0.321 225 A C -1.052 176.513 177.584 -0.033 0.000 1.125 225 A CA -0.910 51.108 52.037 -0.032 0.000 0.799 225 A CB 1.090 20.076 19.000 -0.023 0.000 1.293 225 A HN 0.671 nan 8.150 nan 0.000 0.452 226 L N 1.790 122.993 121.223 -0.033 0.000 2.307 226 L HA 0.360 4.851 4.340 0.251 0.000 0.282 226 L C -0.179 176.682 176.870 -0.015 0.000 1.051 226 L CA -0.905 53.918 54.840 -0.028 0.000 0.804 226 L CB 1.206 43.244 42.059 -0.035 0.000 1.197 226 L HN 0.905 nan 8.230 nan 0.000 0.431 227 D N 0.186 120.580 120.400 -0.009 0.000 2.411 227 D HA 0.050 4.841 4.640 0.251 0.000 0.251 227 D C 0.334 176.636 176.300 0.002 0.000 1.201 227 D CA -0.535 53.462 54.000 -0.005 0.000 0.996 227 D CB 0.777 41.574 40.800 -0.005 0.000 1.101 227 D HN 0.347 nan 8.370 nan 0.000 0.504 228 D N -0.690 119.711 120.400 0.001 0.000 2.144 228 D HA -0.165 4.625 4.640 0.251 0.000 0.199 228 D C 1.523 177.829 176.300 0.010 0.000 0.984 228 D CA 1.029 55.031 54.000 0.003 0.000 0.834 228 D CB -0.113 40.684 40.800 -0.005 0.000 0.955 228 D HN 0.717 nan 8.370 nan 0.000 0.465 229 E N 0.838 121.042 120.200 0.008 0.000 2.038 229 E HA -0.218 4.282 4.350 0.251 0.000 0.195 229 E C 1.735 178.350 176.600 0.026 0.000 1.000 229 E CA 1.117 57.523 56.400 0.012 0.000 0.803 229 E CB 0.099 29.803 29.700 0.005 0.000 0.750 229 E HN 0.291 nan 8.360 nan 0.000 0.448 230 E N 0.115 120.330 120.200 0.025 0.000 2.077 230 E HA -0.204 4.297 4.350 0.251 0.000 0.193 230 E C 2.033 178.677 176.600 0.072 0.000 0.989 230 E CA 1.021 57.444 56.400 0.039 0.000 0.800 230 E CB -0.176 29.532 29.700 0.014 0.000 0.746 230 E HN 0.364 nan 8.360 nan 0.000 0.452 231 A N 1.392 124.247 122.820 0.058 0.000 1.902 231 A HA -0.146 4.324 4.320 0.251 0.000 0.217 231 A C 2.380 180.039 177.584 0.126 0.000 1.181 231 A CA 1.802 53.894 52.037 0.092 0.000 0.623 231 A CB -0.686 18.346 19.000 0.054 0.000 0.818 231 A HN 0.304 nan 8.150 nan 0.000 0.443 232 A N 0.050 122.918 122.820 0.079 0.000 1.898 232 A HA -0.162 4.308 4.320 0.251 0.000 0.216 232 A C 1.939 179.566 177.584 0.071 0.000 1.181 232 A CA 1.724 53.803 52.037 0.070 0.000 0.620 232 A CB -0.596 18.427 19.000 0.039 0.000 0.819 232 A HN 0.535 nan 8.150 nan 0.000 0.442 233 N N -0.676 118.067 118.700 0.071 0.000 2.058 233 N HA -0.155 4.735 4.740 0.251 0.000 0.191 233 N C 1.428 176.984 175.510 0.077 0.000 1.037 233 N CA 1.568 54.655 53.050 0.062 0.000 0.848 233 N CB -0.722 37.805 38.487 0.067 0.000 1.021 233 N HN 0.495 nan 8.380 nan 0.000 0.422 234 F N 1.966 121.908 119.950 -0.013 0.000 2.120 234 F HA -0.190 4.493 4.527 0.259 0.000 0.300 234 F C 2.325 178.090 175.800 -0.058 0.000 1.095 234 F CA 1.262 59.238 58.000 -0.040 0.000 1.249 234 F CB -0.333 38.640 39.000 -0.045 0.000 0.995 234 F HN -0.052 nan 8.300 nan 0.000 0.480 235 S N -0.670 115.011 115.700 -0.033 0.000 2.382 235 S HA -0.181 4.439 4.470 0.251 0.000 0.228 235 S C 1.931 176.475 174.600 -0.094 0.000 1.027 235 S CA 1.658 59.814 58.200 -0.074 0.000 0.991 235 S CB -0.683 62.575 63.200 0.095 0.000 0.823 235 S HN 0.480 nan 8.310 nan 0.000 0.469 236 T N 2.482 117.003 114.554 -0.055 0.000 2.746 236 T HA -0.042 4.458 4.350 0.251 0.000 0.267 236 T C 2.167 176.765 174.700 -0.171 0.000 1.039 236 T CA 1.225 63.279 62.100 -0.077 0.000 1.142 236 T CB -0.504 68.334 68.868 -0.051 0.000 0.866 236 T HN 0.473 nan 8.240 nan 0.000 0.444 237 A N 1.424 124.102 122.820 -0.237 0.000 1.933 237 A HA -0.016 4.454 4.320 0.251 0.000 0.218 237 A C 2.245 179.609 177.584 -0.366 0.000 1.175 237 A CA 1.340 53.200 52.037 -0.295 0.000 0.628 237 A CB -0.748 18.067 19.000 -0.309 0.000 0.814 237 A HN 0.427 nan 8.150 nan 0.000 0.444 238 L N -0.436 120.482 121.223 -0.509 0.000 2.046 238 L HA -0.090 4.401 4.340 0.251 0.000 0.208 238 L C 2.174 178.909 176.870 -0.226 0.000 1.077 238 L CA 1.765 56.329 54.840 -0.460 0.000 0.747 238 L CB -0.577 41.132 42.059 -0.582 0.000 0.896 238 L HN 0.423 nan 8.230 nan 0.000 0.432 239 L N -1.205 119.914 121.223 -0.173 0.000 1.970 239 L HA -0.229 4.261 4.340 0.251 0.000 0.212 239 L C 2.480 179.272 176.870 -0.131 0.000 1.071 239 L CA 1.574 56.325 54.840 -0.148 0.000 0.751 239 L CB -0.335 41.562 42.059 -0.269 0.000 0.889 239 L HN 0.329 nan 8.230 nan 0.000 0.432 240 L N -0.318 120.817 121.223 -0.146 0.000 2.093 240 L HA -0.133 4.357 4.340 0.251 0.000 0.208 240 L C 2.890 179.713 176.870 -0.079 0.000 1.085 240 L CA 1.737 56.510 54.840 -0.112 0.000 0.755 240 L CB -1.796 40.186 42.059 -0.128 0.000 0.904 240 L HN 0.309 nan 8.230 nan 0.000 0.435 241 A N 0.100 122.862 122.820 -0.097 0.000 1.865 241 A HA -0.135 4.336 4.320 0.251 0.000 0.217 241 A C 2.432 180.021 177.584 0.008 0.000 1.191 241 A CA 1.845 53.857 52.037 -0.043 0.000 0.623 241 A CB -1.197 17.746 19.000 -0.095 0.000 0.826 241 A HN 0.413 nan 8.150 nan 0.000 0.444 242 G N -1.733 107.062 108.800 -0.009 0.000 2.418 242 G HA2 -0.256 3.854 3.960 0.251 0.000 0.217 242 G HA3 -0.256 3.854 3.960 0.251 0.000 0.217 242 G C 1.523 176.453 174.900 0.049 0.000 1.158 242 G CA 1.286 46.402 45.100 0.027 0.000 0.771 242 G HN 0.808 nan 8.290 nan 0.000 0.545 243 H N -0.566 118.432 119.070 -0.120 0.000 2.276 243 H HA -0.057 4.647 4.556 0.246 0.000 0.301 243 H C 2.515 177.748 175.328 -0.157 0.000 1.073 243 H CA 1.058 56.988 56.048 -0.196 0.000 1.311 243 H CB 0.044 29.624 29.762 -0.303 0.000 1.379 243 H HN 0.240 nan 8.280 nan 0.000 0.494 244 I N 1.177 121.697 120.570 -0.085 0.000 2.226 244 I HA -0.240 4.080 4.170 0.251 0.000 0.245 244 I C 2.651 178.705 176.117 -0.106 0.000 1.100 244 I CA 2.168 63.379 61.300 -0.150 0.000 1.374 244 I CB -0.799 37.106 38.000 -0.157 0.000 1.057 244 I HN 0.558 nan 8.210 nan 0.000 0.413 245 T N -3.665 110.863 114.554 -0.043 0.000 2.904 245 T HA -0.100 4.401 4.350 0.251 0.000 0.267 245 T C 1.838 176.533 174.700 -0.008 0.000 1.059 245 T CA 1.686 63.749 62.100 -0.061 0.000 1.137 245 T CB -1.020 67.869 68.868 0.035 0.000 0.879 245 T HN 0.300 nan 8.240 nan 0.000 0.467 246 T N 1.933 116.516 114.554 0.049 0.000 2.777 246 T HA -0.056 4.444 4.350 0.251 0.000 0.266 246 T C 2.196 176.955 174.700 0.098 0.000 1.040 246 T CA 1.714 63.862 62.100 0.079 0.000 1.141 246 T CB -0.909 68.015 68.868 0.093 0.000 0.868 246 T HN 0.476 nan 8.240 nan 0.000 0.444 247 T N 1.858 116.492 114.554 0.133 0.000 2.665 247 T HA -0.107 4.393 4.350 0.251 0.000 0.268 247 T C 2.121 176.881 174.700 0.101 0.000 1.035 247 T CA 1.203 63.419 62.100 0.194 0.000 1.151 247 T CB -0.481 68.575 68.868 0.313 0.000 0.862 247 T HN 0.153 nan 8.240 nan 0.000 0.438 248 V N 0.964 120.877 119.914 -0.002 0.000 2.302 248 V HA 0.033 4.304 4.120 0.251 0.000 0.243 248 V C 2.391 178.453 176.094 -0.054 0.000 1.036 248 V CA 1.062 63.319 62.300 -0.072 0.000 1.020 248 V CB -0.545 31.117 31.823 -0.269 0.000 0.657 248 V HN 0.390 nan 8.190 nan 0.000 0.453 249 L N -0.527 120.661 121.223 -0.059 0.000 2.056 249 L HA -0.152 4.339 4.340 0.251 0.000 0.207 249 L C 2.428 179.305 176.870 0.012 0.000 1.078 249 L CA 1.727 56.546 54.840 -0.036 0.000 0.749 249 L CB -0.223 41.823 42.059 -0.022 0.000 0.901 249 L HN 0.348 nan 8.230 nan 0.000 0.433 250 L N 0.186 121.437 121.223 0.046 0.000 2.046 250 L HA -0.081 4.409 4.340 0.251 0.000 0.208 250 L C 2.382 179.294 176.870 0.070 0.000 1.077 250 L CA 2.109 56.994 54.840 0.076 0.000 0.747 250 L CB -1.168 40.958 42.059 0.110 0.000 0.896 250 L HN 0.216 nan 8.230 nan 0.000 0.432 251 G N -0.813 108.023 108.800 0.059 0.000 2.440 251 G HA2 -0.336 3.775 3.960 0.251 0.000 0.218 251 G HA3 -0.336 3.775 3.960 0.251 0.000 0.218 251 G C 1.436 176.346 174.900 0.017 0.000 1.154 251 G CA 0.951 46.075 45.100 0.039 0.000 0.767 251 G HN 0.455 nan 8.290 nan 0.000 0.552 252 N N 0.566 119.269 118.700 0.004 0.000 2.188 252 N HA -0.018 4.873 4.740 0.251 0.000 0.184 252 N C 2.199 177.694 175.510 -0.024 0.000 1.018 252 N CA 0.609 53.656 53.050 -0.005 0.000 0.858 252 N CB -0.272 38.209 38.487 -0.010 0.000 0.989 252 N HN 0.374 nan 8.380 nan 0.000 0.426 253 I N 0.184 120.744 120.570 -0.016 0.000 2.127 253 I HA -0.249 4.072 4.170 0.251 0.000 0.241 253 I C 1.953 178.025 176.117 -0.076 0.000 1.075 253 I CA 0.955 62.226 61.300 -0.050 0.000 1.334 253 I CB -0.239 37.758 38.000 -0.005 0.000 1.040 253 I HN -0.061 nan 8.210 nan 0.000 0.405 254 V N 0.458 120.391 119.914 0.030 0.000 2.307 254 V HA -0.229 4.041 4.120 0.251 0.000 0.245 254 V C 2.538 178.689 176.094 0.094 0.000 1.045 254 V CA 1.656 64.040 62.300 0.140 0.000 1.024 254 V CB -0.772 31.175 31.823 0.208 0.000 0.651 254 V HN 0.338 nan 8.190 nan 0.000 0.449 255 R N -0.051 120.467 120.500 0.030 0.000 2.083 255 R HA -0.168 4.322 4.340 0.251 0.000 0.237 255 R C 2.409 178.682 176.300 -0.045 0.000 1.137 255 R CA 2.122 58.227 56.100 0.009 0.000 0.951 255 R CB -0.724 29.582 30.300 0.009 0.000 0.851 255 R HN 0.549 nan 8.270 nan 0.000 0.434 256 T N 1.586 116.061 114.554 -0.133 0.000 2.737 256 T HA -0.058 4.442 4.350 0.251 0.000 0.265 256 T C 1.941 176.393 174.700 -0.414 0.000 1.038 256 T CA 0.922 62.824 62.100 -0.330 0.000 1.144 256 T CB -0.172 68.368 68.868 -0.547 0.000 0.866 256 T HN 0.134 nan 8.240 nan 0.000 0.434 257 L N 1.072 122.055 121.223 -0.400 0.000 2.079 257 L HA -0.140 4.350 4.340 0.251 0.000 0.210 257 L C 2.547 179.370 176.870 -0.079 0.000 1.081 257 L CA 1.343 55.921 54.840 -0.436 0.000 0.752 257 L CB -0.586 40.850 42.059 -1.039 0.000 0.896 257 L HN 0.227 nan 8.230 nan 0.000 0.433 258 D N 0.172 120.650 120.400 0.129 0.000 2.219 258 D HA -0.181 4.610 4.640 0.251 0.000 0.205 258 D C 1.959 178.290 176.300 0.052 0.000 0.970 258 D CA 1.074 55.214 54.000 0.234 0.000 0.851 258 D CB 0.174 41.076 40.800 0.169 0.000 0.943 258 D HN 0.338 nan 8.370 nan 0.000 0.488 259 E N -1.323 118.827 120.200 -0.084 0.000 2.371 259 E HA -0.028 4.473 4.350 0.251 0.000 0.194 259 E C 0.199 176.455 176.600 -0.574 0.000 1.012 259 E CA 0.511 56.741 56.400 -0.284 0.000 0.860 259 E CB 0.249 29.765 29.700 -0.306 0.000 0.811 259 E HN 0.463 nan 8.360 nan 0.000 0.502 260 H N -0.290 118.777 119.070 -0.005 0.000 2.439 260 H HA 0.132 4.838 4.556 0.249 0.000 0.230 260 H C -2.015 173.410 175.328 0.161 0.000 1.420 260 H CA -1.500 54.617 56.048 0.114 0.000 1.305 260 H CB 0.795 30.702 29.762 0.242 0.000 1.667 260 H HN 0.113 nan 8.280 nan 0.000 0.515 261 P HA -0.064 nan 4.420 nan 0.000 0.226 261 P C 1.575 179.063 177.300 0.313 0.000 1.153 261 P CA 0.695 64.007 63.100 0.353 0.000 0.777 261 P CB 0.268 32.157 31.700 0.316 0.000 0.794 262 A N 0.307 123.218 122.820 0.152 0.000 1.978 262 A HA -0.238 4.233 4.320 0.251 0.000 0.220 262 A C 2.113 179.688 177.584 -0.014 0.000 1.170 262 A CA 1.353 53.413 52.037 0.038 0.000 0.636 262 A CB -1.743 17.214 19.000 -0.071 0.000 0.810 262 A HN 0.243 nan 8.150 nan 0.000 0.448 263 H N -2.319 116.804 119.070 0.087 0.000 2.456 263 H HA -0.180 4.528 4.556 0.255 0.000 0.296 263 H C 1.895 177.242 175.328 0.033 0.000 1.079 263 H CA 1.388 57.448 56.048 0.020 0.000 1.322 263 H CB -0.225 29.524 29.762 -0.021 0.000 1.388 263 H HN 0.818 nan 8.280 nan 0.000 0.538 264 W N 1.636 123.038 121.300 0.171 0.000 2.355 264 W HA -0.137 4.674 4.660 0.252 0.000 0.309 264 W C 2.295 178.869 176.519 0.092 0.000 1.206 264 W CA 0.708 58.127 57.345 0.124 0.000 1.284 264 W CB -0.054 29.464 29.460 0.097 0.000 1.145 264 W HN 0.145 nan 8.180 nan 0.000 0.502 265 D N 0.046 120.633 120.400 0.311 0.000 2.097 265 D HA -0.161 4.630 4.640 0.251 0.000 0.197 265 D C 2.202 178.581 176.300 0.132 0.000 0.984 265 D CA 1.704 55.812 54.000 0.181 0.000 0.826 265 D CB -0.812 40.062 40.800 0.123 0.000 0.973 265 D HN 0.138 nan 8.370 nan 0.000 0.460 266 A N 1.670 124.552 122.820 0.104 0.000 1.892 266 A HA -0.164 4.307 4.320 0.251 0.000 0.218 266 A C 2.385 180.029 177.584 0.099 0.000 1.188 266 A CA 2.601 54.683 52.037 0.075 0.000 0.631 266 A CB -0.776 18.249 19.000 0.041 0.000 0.822 266 A HN 0.273 nan 8.150 nan 0.000 0.447 267 A N -0.659 122.241 122.820 0.132 0.000 1.969 267 A HA 0.267 4.738 4.320 0.251 0.000 0.218 267 A C 2.441 180.105 177.584 0.135 0.000 1.169 267 A CA 1.788 53.901 52.037 0.126 0.000 0.635 267 A CB -0.834 18.242 19.000 0.125 0.000 0.810 267 A HN 1.048 nan 8.150 nan 0.000 0.445 268 A N -0.192 122.725 122.820 0.160 0.000 1.898 268 A HA -0.123 4.347 4.320 0.251 0.000 0.216 268 A C 1.956 179.596 177.584 0.093 0.000 1.181 268 A CA 1.994 54.113 52.037 0.136 0.000 0.620 268 A CB -0.433 18.653 19.000 0.144 0.000 0.819 268 A HN 0.507 nan 8.150 nan 0.000 0.442 269 E N -0.033 120.217 120.200 0.084 0.000 2.077 269 E HA -0.136 4.365 4.350 0.251 0.000 0.193 269 E C -0.192 176.440 176.600 0.054 0.000 0.989 269 E CA 1.352 57.788 56.400 0.061 0.000 0.800 269 E CB 0.067 29.798 29.700 0.052 0.000 0.746 269 E HN 0.441 nan 8.360 nan 0.000 0.452 270 D N -1.627 118.809 120.400 0.060 0.000 2.346 270 D HA 0.181 4.971 4.640 0.251 0.000 0.255 270 D C -2.319 174.016 176.300 0.059 0.000 1.276 270 D CA -2.177 51.854 54.000 0.051 0.000 0.941 270 D CB 1.373 42.198 40.800 0.042 0.000 1.199 270 D HN -0.143 nan 8.370 nan 0.000 0.537 271 P HA 0.054 nan 4.420 nan 0.000 0.225 271 P C 1.398 178.732 177.300 0.056 0.000 1.148 271 P CA 0.537 63.677 63.100 0.066 0.000 0.779 271 P CB 0.302 32.041 31.700 0.064 0.000 0.780 272 G N -0.147 108.681 108.800 0.046 0.000 2.559 272 G HA2 -0.216 3.895 3.960 0.251 0.000 0.216 272 G HA3 -0.216 3.895 3.960 0.251 0.000 0.216 272 G C 1.597 176.519 174.900 0.037 0.000 1.126 272 G CA 0.107 45.231 45.100 0.039 0.000 0.778 272 G HN 0.248 nan 8.290 nan 0.000 0.543 273 R N -0.556 119.969 120.500 0.041 0.000 2.299 273 R HA 0.276 4.766 4.340 0.251 0.000 0.197 273 R C 2.109 178.427 176.300 0.030 0.000 0.971 273 R CA -0.058 56.062 56.100 0.034 0.000 1.030 273 R CB -0.108 30.219 30.300 0.045 0.000 0.932 273 R HN 0.389 nan 8.270 nan 0.000 0.477 274 I N 0.852 121.446 120.570 0.041 0.000 2.252 274 I HA -0.155 4.165 4.170 0.251 0.000 0.245 274 I C -0.960 175.179 176.117 0.037 0.000 1.102 274 I CA 0.965 62.290 61.300 0.040 0.000 1.385 274 I CB -0.672 37.363 38.000 0.059 0.000 1.064 274 I HN 0.047 nan 8.210 nan 0.000 0.414 275 P HA -0.180 nan 4.420 nan 0.000 0.216 275 P C 1.476 178.799 177.300 0.037 0.000 1.150 275 P CA 1.720 64.851 63.100 0.052 0.000 0.837 275 P CB -0.012 31.721 31.700 0.055 0.000 0.786 276 A N -0.852 121.975 122.820 0.012 0.000 1.933 276 A HA -0.179 4.292 4.320 0.251 0.000 0.218 276 A C 2.190 179.738 177.584 -0.060 0.000 1.175 276 A CA 1.376 53.400 52.037 -0.022 0.000 0.628 276 A CB -1.614 17.361 19.000 -0.042 0.000 0.814 276 A HN 0.114 nan 8.150 nan 0.000 0.444 277 I N -0.467 120.072 120.570 -0.051 0.000 2.179 277 I HA -0.231 4.090 4.170 0.251 0.000 0.242 277 I C 2.371 178.496 176.117 0.013 0.000 1.088 277 I CA 1.228 62.497 61.300 -0.053 0.000 1.357 277 I CB -0.319 37.660 38.000 -0.036 0.000 1.051 277 I HN 0.164 nan 8.210 nan 0.000 0.409 278 V N 0.619 120.549 119.914 0.027 0.000 2.282 278 V HA -0.284 3.986 4.120 0.251 0.000 0.249 278 V C 2.498 178.621 176.094 0.048 0.000 1.057 278 V CA 1.845 64.175 62.300 0.050 0.000 1.032 278 V CB -0.699 31.169 31.823 0.076 0.000 0.645 278 V HN 0.420 nan 8.190 nan 0.000 0.447 279 E N -0.118 120.109 120.200 0.044 0.000 2.110 279 E HA -0.233 4.267 4.350 0.251 0.000 0.193 279 E C 2.217 178.825 176.600 0.012 0.000 0.988 279 E CA 1.411 57.837 56.400 0.043 0.000 0.804 279 E CB -0.217 29.517 29.700 0.058 0.000 0.745 279 E HN 0.690 nan 8.360 nan 0.000 0.458 280 E N 0.685 120.871 120.200 -0.023 0.000 2.152 280 E HA -0.084 4.416 4.350 0.251 0.000 0.192 280 E C 2.023 178.714 176.600 0.153 0.000 0.983 280 E CA 0.548 56.918 56.400 -0.049 0.000 0.818 280 E CB 0.002 29.502 29.700 -0.334 0.000 0.758 280 E HN 0.002 nan 8.360 nan 0.000 0.467 281 V N 0.765 120.798 119.914 0.199 0.000 2.307 281 V HA -0.246 4.024 4.120 0.251 0.000 0.245 281 V C 2.455 178.610 176.094 0.102 0.000 1.045 281 V CA 1.646 64.059 62.300 0.189 0.000 1.024 281 V CB -0.601 31.272 31.823 0.084 0.000 0.651 281 V HN 0.292 nan 8.190 nan 0.000 0.449 282 L N -0.176 121.056 121.223 0.016 0.000 2.034 282 L HA -0.300 4.190 4.340 0.251 0.000 0.217 282 L C 2.773 179.626 176.870 -0.029 0.000 1.077 282 L CA 2.342 57.139 54.840 -0.071 0.000 0.769 282 L CB -0.659 41.290 42.059 -0.183 0.000 0.890 282 L HN 0.297 nan 8.230 nan 0.000 0.435 283 R N -1.024 119.485 120.500 0.015 0.000 2.066 283 R HA -0.230 4.261 4.340 0.251 0.000 0.232 283 R C 2.480 178.819 176.300 0.065 0.000 1.131 283 R CA 1.857 57.961 56.100 0.007 0.000 0.955 283 R CB -0.433 29.831 30.300 -0.061 0.000 0.851 283 R HN 0.273 nan 8.270 nan 0.000 0.432 284 Y N 0.311 120.608 120.300 -0.005 0.000 2.263 284 Y HA 0.019 4.716 4.550 0.246 0.000 0.292 284 Y C 0.502 176.415 175.900 0.022 0.000 1.130 284 Y CA 1.368 59.487 58.100 0.031 0.000 1.179 284 Y CB 0.423 38.961 38.460 0.130 0.000 0.998 284 Y HN -0.077 nan 8.280 nan 0.000 0.532 285 R N 0.889 121.446 120.500 0.095 0.000 2.653 285 R HA 0.236 4.726 4.340 0.251 0.000 0.269 285 R C -2.825 173.462 176.300 -0.022 0.000 1.603 285 R CA -1.916 54.190 56.100 0.009 0.000 1.671 285 R CB 0.787 31.117 30.300 0.051 0.000 1.300 285 R HN 0.042 nan 8.270 nan 0.000 0.668 286 P HA 0.067 nan 4.420 nan 0.000 0.267 286 P C -2.241 174.976 177.300 -0.139 0.000 1.209 286 P CA -1.034 62.019 63.100 -0.078 0.000 0.763 286 P CB 1.143 32.831 31.700 -0.019 0.000 0.816 287 P HA -0.125 nan 4.420 nan 0.000 0.217 287 P C -0.069 176.827 177.300 -0.673 0.000 1.151 287 P CA 1.569 64.365 63.100 -0.507 0.000 0.849 287 P CB -0.101 31.197 31.700 -0.670 0.000 0.787 288 F N -1.751 118.143 119.950 -0.093 0.000 2.311 288 F HA 0.321 4.825 4.527 -0.039 0.000 0.371 288 F C -1.590 174.173 175.800 -0.062 0.000 1.083 288 F CA -2.474 55.471 58.000 -0.091 0.000 1.113 288 F CB 1.215 40.151 39.000 -0.106 0.000 1.349 288 F HN -0.092 nan 8.300 nan 0.000 0.470 289 P HA -0.129 nan 4.420 nan 0.000 0.222 289 P C -0.381 176.921 177.300 0.003 0.000 1.147 289 P CA 1.088 64.263 63.100 0.126 0.000 0.790 289 P CB 0.189 32.030 31.700 0.234 0.000 0.780 290 Q N -1.406 118.303 119.800 -0.152 0.000 2.456 290 Q HA 0.654 5.144 4.340 0.251 0.000 0.284 290 Q C -1.332 174.534 176.000 -0.223 0.000 1.061 290 Q CA -0.967 54.621 55.803 -0.358 0.000 0.799 290 Q CB 1.790 30.008 28.738 -0.867 0.000 1.445 290 Q HN -0.123 nan 8.270 nan 0.000 0.411 291 M N 1.055 120.519 119.600 -0.227 0.000 2.619 291 M HA 0.446 5.076 4.480 0.251 0.000 0.297 291 M C -1.308 174.880 176.300 -0.187 0.000 1.229 291 M CA -0.659 54.531 55.300 -0.184 0.000 0.860 291 M CB 2.955 35.474 32.600 -0.135 0.000 1.741 291 M HN 0.604 nan 8.290 nan 0.000 0.462 292 Q N 1.082 120.790 119.800 -0.154 0.000 2.345 292 Q HA 0.720 5.210 4.340 0.251 0.000 0.268 292 Q C -1.062 174.881 176.000 -0.094 0.000 1.054 292 Q CA -0.943 54.785 55.803 -0.126 0.000 0.835 292 Q CB 2.223 30.897 28.738 -0.107 0.000 1.339 292 Q HN 0.347 nan 8.270 nan 0.000 0.447 293 R N 0.266 120.734 120.500 -0.053 0.000 2.836 293 R HA 0.701 5.191 4.340 0.251 0.000 0.269 293 R C -1.064 175.259 176.300 0.039 0.000 1.010 293 R CA -0.789 55.314 56.100 0.005 0.000 0.930 293 R CB 1.987 32.331 30.300 0.073 0.000 1.218 293 R HN 0.639 nan 8.270 nan 0.000 0.473 294 T N 0.963 115.546 114.554 0.048 0.000 2.812 294 T HA 0.276 4.777 4.350 0.251 0.000 0.282 294 T C -0.163 174.544 174.700 0.012 0.000 0.990 294 T CA -0.675 61.443 62.100 0.029 0.000 0.960 294 T CB 1.608 70.471 68.868 -0.008 0.000 0.948 294 T HN 0.642 nan 8.240 nan 0.000 0.438 295 T N -0.073 114.468 114.554 -0.022 0.000 2.930 295 T HA 0.198 4.698 4.350 0.251 0.000 0.306 295 T C 1.397 176.001 174.700 -0.161 0.000 1.045 295 T CA -0.154 61.840 62.100 -0.178 0.000 1.134 295 T CB 0.663 69.398 68.868 -0.222 0.000 0.961 295 T HN 0.696 nan 8.240 nan 0.000 0.545 296 T N -1.282 113.144 114.554 -0.214 0.000 3.040 296 T HA 0.266 4.767 4.350 0.251 0.000 0.250 296 T C 0.291 174.905 174.700 -0.143 0.000 1.058 296 T CA -0.346 61.666 62.100 -0.147 0.000 0.988 296 T CB -0.403 68.385 68.868 -0.133 0.000 0.993 296 T HN 1.019 nan 8.240 nan 0.000 0.519 297 K N -0.242 120.047 120.400 -0.184 0.000 2.625 297 K HA 0.680 5.150 4.320 0.251 0.000 0.284 297 K C -1.183 175.306 176.600 -0.185 0.000 0.984 297 K CA -1.067 55.125 56.287 -0.157 0.000 0.865 297 K CB 0.807 33.219 32.500 -0.148 0.000 1.468 297 K HN -0.023 nan 8.250 nan 0.000 0.407 298 A N 1.126 123.861 122.820 -0.141 0.000 2.567 298 A HA 0.336 4.806 4.320 0.251 0.000 0.240 298 A C 0.111 177.596 177.584 -0.166 0.000 1.053 298 A CA 1.245 53.197 52.037 -0.141 0.000 0.755 298 A CB -0.175 18.767 19.000 -0.096 0.000 0.978 298 A HN 0.711 nan 8.150 nan 0.000 0.507 299 T N 1.314 115.754 114.554 -0.190 0.000 2.647 299 T HA 0.607 5.107 4.350 0.251 0.000 0.295 299 T C -1.308 173.322 174.700 -0.117 0.000 1.126 299 T CA -0.561 61.437 62.100 -0.170 0.000 1.040 299 T CB 1.157 69.852 68.868 -0.288 0.000 1.472 299 T HN 0.730 nan 8.240 nan 0.000 0.500 300 E N 0.281 120.460 120.200 -0.035 0.000 2.331 300 E HA 0.623 5.124 4.350 0.251 0.000 0.275 300 E C -1.672 174.971 176.600 0.072 0.000 0.895 300 E CA -0.799 55.597 56.400 -0.007 0.000 0.753 300 E CB 2.626 32.328 29.700 0.004 0.000 1.216 300 E HN 0.352 nan 8.360 nan 0.000 0.434 301 V N 1.866 121.811 119.914 0.053 0.000 2.443 301 V HA 0.440 4.711 4.120 0.251 0.000 0.293 301 V C 0.059 176.192 176.094 0.064 0.000 1.021 301 V CA -0.139 62.200 62.300 0.066 0.000 0.848 301 V CB 1.262 33.108 31.823 0.037 0.000 0.998 301 V HN 0.970 nan 8.190 nan 0.000 0.424 302 A N 4.106 126.960 122.820 0.058 0.000 2.687 302 A HA 0.053 4.524 4.320 0.251 0.000 0.299 302 A C 1.748 179.371 177.584 0.064 0.000 1.497 302 A CA 1.376 53.450 52.037 0.060 0.000 0.751 302 A CB -1.526 17.516 19.000 0.071 0.000 1.048 302 A HN 2.674 nan 8.150 nan 0.000 0.464 303 G N -3.558 105.273 108.800 0.053 0.000 2.184 303 G HA2 -0.045 4.065 3.960 0.251 0.000 0.264 303 G HA3 -0.045 4.065 3.960 0.251 0.000 0.264 303 G C 0.378 175.313 174.900 0.058 0.000 0.975 303 G CA 0.556 45.685 45.100 0.049 0.000 0.642 303 G HN 1.881 nan 8.290 nan 0.000 0.536 304 V N 3.188 123.144 119.914 0.070 0.000 2.370 304 V HA 0.504 4.775 4.120 0.251 0.000 0.279 304 V C -1.649 174.449 176.094 0.006 0.000 1.029 304 V CA -1.546 60.811 62.300 0.095 0.000 0.870 304 V CB 1.726 33.661 31.823 0.187 0.000 0.984 304 V HN 0.190 nan 8.190 nan 0.000 0.451 305 P HA 0.452 nan 4.420 nan 0.000 0.280 305 P C -0.858 176.247 177.300 -0.324 0.000 1.244 305 P CA -0.123 62.916 63.100 -0.102 0.000 0.784 305 P CB 1.082 32.767 31.700 -0.025 0.000 0.913 306 I N 4.815 125.114 120.570 -0.451 0.000 2.466 306 I HA 0.360 4.680 4.170 0.251 0.000 0.289 306 I C -2.166 173.699 176.117 -0.421 0.000 1.026 306 I CA -2.773 58.036 61.300 -0.819 0.000 1.078 306 I CB 2.819 40.248 38.000 -0.952 0.000 1.249 306 I HN 0.154 nan 8.210 nan 0.000 0.429 307 P HA 0.263 nan 4.420 nan 0.000 0.279 307 P C -0.576 176.635 177.300 -0.149 0.000 1.276 307 P CA -0.387 62.627 63.100 -0.143 0.000 0.801 307 P CB 0.866 32.551 31.700 -0.024 0.000 1.127 308 A N 0.337 123.095 122.820 -0.104 0.000 2.425 308 A HA 0.179 4.650 4.320 0.251 0.000 0.242 308 A C 0.459 178.006 177.584 -0.061 0.000 1.077 308 A CA 0.290 52.268 52.037 -0.099 0.000 0.781 308 A CB -1.053 17.899 19.000 -0.080 0.000 1.020 308 A HN 0.700 nan 8.150 nan 0.000 0.494 309 D N -1.730 118.633 120.400 -0.063 0.000 2.870 309 D HA -0.150 4.640 4.640 0.251 0.000 0.228 309 D C 0.008 176.309 176.300 0.002 0.000 1.147 309 D CA 1.468 55.450 54.000 -0.030 0.000 0.757 309 D CB -2.318 38.469 40.800 -0.022 0.000 1.091 309 D HN 1.152 nan 8.370 nan 0.000 0.429 310 V N -3.429 116.492 119.914 0.011 0.000 2.960 310 V HA 0.711 4.981 4.120 0.251 0.000 0.315 310 V C 0.373 176.516 176.094 0.081 0.000 1.087 310 V CA -1.230 61.116 62.300 0.076 0.000 0.982 310 V CB 2.553 34.478 31.823 0.171 0.000 1.039 310 V HN 0.087 nan 8.190 nan 0.000 0.437 311 M N 2.861 122.524 119.600 0.105 0.000 2.216 311 M HA 0.663 5.294 4.480 0.251 0.000 0.356 311 M C -1.223 175.139 176.300 0.103 0.000 1.205 311 M CA -0.177 55.163 55.300 0.067 0.000 1.122 311 M CB 1.282 33.892 32.600 0.018 0.000 1.571 311 M HN 0.689 nan 8.290 nan 0.000 0.464 312 V N 4.904 124.853 119.914 0.057 0.000 2.540 312 V HA 0.457 4.727 4.120 0.251 0.000 0.302 312 V C -0.705 175.339 176.094 -0.084 0.000 1.035 312 V CA -0.966 61.356 62.300 0.037 0.000 0.873 312 V CB 1.908 33.776 31.823 0.075 0.000 0.992 312 V HN 0.807 nan 8.190 nan 0.000 0.428 313 N N 2.444 121.048 118.700 -0.161 0.000 2.444 313 N HA 0.437 5.328 4.740 0.251 0.000 0.262 313 N C -0.127 175.273 175.510 -0.184 0.000 0.974 313 N CA -0.332 52.577 53.050 -0.234 0.000 0.933 313 N CB 1.865 40.148 38.487 -0.340 0.000 1.137 313 N HN 0.839 nan 8.380 nan 0.000 0.498 314 T N -0.767 113.665 114.554 -0.203 0.000 2.738 314 T HA 0.313 4.813 4.350 0.251 0.000 0.298 314 T C -0.158 174.477 174.700 -0.109 0.000 0.962 314 T CA -0.683 61.343 62.100 -0.123 0.000 0.972 314 T CB 0.058 68.853 68.868 -0.121 0.000 0.928 314 T HN 0.306 nan 8.240 nan 0.000 0.474 315 W N 4.041 125.326 121.300 -0.025 0.000 2.247 315 W HA 0.399 5.215 4.660 0.261 0.000 0.394 315 W C 1.201 177.769 176.519 0.082 0.000 0.939 315 W CA -0.840 56.552 57.345 0.078 0.000 1.548 315 W CB -0.078 29.485 29.460 0.173 0.000 1.610 315 W HN 0.555 nan 8.180 nan 0.000 0.336 316 V N 2.931 122.960 119.914 0.191 0.000 2.324 316 V HA -0.361 3.909 4.120 0.251 0.000 0.250 316 V C 2.209 178.432 176.094 0.215 0.000 1.060 316 V CA 1.869 64.266 62.300 0.162 0.000 1.042 316 V CB -0.772 31.113 31.823 0.102 0.000 0.650 316 V HN 0.560 nan 8.190 nan 0.000 0.450 317 L N -0.026 121.364 121.223 0.278 0.000 2.042 317 L HA -0.165 4.325 4.340 0.251 0.000 0.210 317 L C 2.595 179.604 176.870 0.232 0.000 1.076 317 L CA 2.552 57.543 54.840 0.251 0.000 0.749 317 L CB -0.865 41.388 42.059 0.323 0.000 0.893 317 L HN 0.339 nan 8.230 nan 0.000 0.432 318 S N -1.189 114.703 115.700 0.321 0.000 2.371 318 S HA -0.078 4.543 4.470 0.251 0.000 0.224 318 S C 2.131 176.862 174.600 0.219 0.000 1.029 318 S CA 0.986 59.327 58.200 0.234 0.000 0.978 318 S CB -0.387 63.004 63.200 0.318 0.000 0.833 318 S HN 0.643 nan 8.310 nan 0.000 0.466 319 A N 2.048 125.024 122.820 0.260 0.000 1.902 319 A HA -0.103 4.367 4.320 0.251 0.000 0.217 319 A C 1.898 179.709 177.584 0.378 0.000 1.181 319 A CA 1.827 54.044 52.037 0.300 0.000 0.623 319 A CB -0.868 18.259 19.000 0.211 0.000 0.818 319 A HN 0.595 nan 8.150 nan 0.000 0.443 320 N N -0.386 118.478 118.700 0.273 0.000 2.381 320 N HA -0.065 4.825 4.740 0.251 0.000 0.182 320 N C 1.106 176.658 175.510 0.070 0.000 1.025 320 N CA 0.718 53.863 53.050 0.158 0.000 0.888 320 N CB -0.136 38.387 38.487 0.059 0.000 0.965 320 N HN 0.309 nan 8.380 nan 0.000 0.438 321 R N 0.373 120.940 120.500 0.111 0.000 2.468 321 R HA 0.141 4.632 4.340 0.251 0.000 0.280 321 R C -0.392 175.967 176.300 0.098 0.000 0.963 321 R CA -0.220 55.922 56.100 0.069 0.000 1.083 321 R CB -0.279 30.030 30.300 0.015 0.000 1.200 321 R HN 0.107 nan 8.270 nan 0.000 0.541 322 D N 1.153 121.649 120.400 0.161 0.000 2.325 322 D HA 0.004 4.795 4.640 0.251 0.000 0.251 322 D C 1.029 177.383 176.300 0.089 0.000 1.196 322 D CA 0.050 54.121 54.000 0.119 0.000 0.866 322 D CB 1.235 42.130 40.800 0.158 0.000 1.101 322 D HN 0.069 nan 8.370 nan 0.000 0.476 323 S N 2.559 118.288 115.700 0.048 0.000 2.474 323 S HA -0.149 4.472 4.470 0.251 0.000 0.235 323 S C 1.057 175.652 174.600 -0.009 0.000 0.997 323 S CA 0.479 58.696 58.200 0.029 0.000 0.949 323 S CB 0.131 63.341 63.200 0.018 0.000 0.766 323 S HN 0.402 nan 8.310 nan 0.000 0.517 324 D N 1.855 122.243 120.400 -0.019 0.000 2.277 324 D HA 0.233 5.024 4.640 0.251 0.000 0.208 324 D C 1.835 178.057 176.300 -0.131 0.000 0.962 324 D CA 1.101 55.073 54.000 -0.047 0.000 0.865 324 D CB -0.142 40.650 40.800 -0.014 0.000 0.939 324 D HN 0.606 nan 8.370 nan 0.000 0.510 325 A N -0.590 122.096 122.820 -0.224 0.000 2.108 325 A HA 0.070 4.540 4.320 0.251 0.000 0.206 325 A C 0.378 177.530 177.584 -0.720 0.000 1.212 325 A CA 0.290 51.983 52.037 -0.575 0.000 0.843 325 A CB 0.290 18.661 19.000 -1.048 0.000 0.902 325 A HN 0.137 nan 8.150 nan 0.000 0.477 326 H N 0.735 119.736 119.070 -0.115 0.000 2.934 326 H HA 0.218 4.925 4.556 0.252 0.000 0.340 326 H C -1.572 173.733 175.328 -0.038 0.000 1.008 326 H CA -1.138 54.868 56.048 -0.070 0.000 1.317 326 H CB 1.117 30.853 29.762 -0.043 0.000 1.670 326 H HN 0.209 nan 8.280 nan 0.000 0.516 327 D N 2.690 123.128 120.400 0.063 0.000 2.443 327 D HA -0.035 4.755 4.640 0.251 0.000 0.239 327 D C 0.246 176.576 176.300 0.051 0.000 1.136 327 D CA 0.571 54.594 54.000 0.038 0.000 0.879 327 D CB 0.559 41.368 40.800 0.015 0.000 1.195 327 D HN 0.487 nan 8.370 nan 0.000 0.443 328 D N 1.787 122.210 120.400 0.039 0.000 2.810 328 D HA -0.147 4.644 4.640 0.251 0.000 0.224 328 D C -1.447 174.890 176.300 0.061 0.000 1.222 328 D CA 0.004 54.029 54.000 0.042 0.000 0.698 328 D CB -0.307 40.510 40.800 0.029 0.000 0.961 328 D HN 0.393 nan 8.370 nan 0.000 0.403 329 P HA -0.141 nan 4.420 nan 0.000 0.220 329 P C 0.732 178.094 177.300 0.104 0.000 1.148 329 P CA 0.958 64.112 63.100 0.090 0.000 0.803 329 P CB 0.386 32.142 31.700 0.093 0.000 0.782 330 D N -0.770 119.699 120.400 0.115 0.000 2.328 330 D HA 0.041 4.831 4.640 0.251 0.000 0.221 330 D C 0.782 177.251 176.300 0.281 0.000 1.072 330 D CA 0.120 54.233 54.000 0.188 0.000 0.850 330 D CB 0.004 40.873 40.800 0.115 0.000 0.922 330 D HN 0.188 nan 8.370 nan 0.000 0.516 331 R N 0.740 121.340 120.500 0.167 0.000 2.234 331 R HA 0.143 4.633 4.340 0.251 0.000 0.324 331 R C -0.533 175.753 176.300 -0.022 0.000 1.054 331 R CA -0.609 55.541 56.100 0.083 0.000 0.912 331 R CB 0.370 30.682 30.300 0.021 0.000 1.030 331 R HN -0.187 nan 8.270 nan 0.000 0.455 332 F N 4.612 124.312 119.950 -0.417 0.000 2.487 332 F HA 0.106 4.780 4.527 0.245 0.000 0.364 332 F C -0.485 175.017 175.800 -0.497 0.000 1.126 332 F CA -0.005 57.543 58.000 -0.753 0.000 1.135 332 F CB 0.393 38.619 39.000 -1.291 0.000 1.127 332 F HN 0.439 nan 8.300 nan 0.000 0.559 333 D N 8.604 128.460 120.400 -0.906 0.000 2.381 333 D HA 0.306 5.096 4.640 0.251 0.000 0.245 333 D C -2.244 173.669 176.300 -0.645 0.000 1.297 333 D CA -2.057 51.564 54.000 -0.633 0.000 0.931 333 D CB 1.544 42.169 40.800 -0.291 0.000 1.334 333 D HN 0.161 nan 8.370 nan 0.000 0.535 334 P HA -0.133 nan 4.420 nan 0.000 0.222 334 P C 1.311 178.463 177.300 -0.245 0.000 1.142 334 P CA 0.926 63.723 63.100 -0.506 0.000 0.788 334 P CB 0.190 31.606 31.700 -0.473 0.000 0.767 335 S N -1.567 114.019 115.700 -0.190 0.000 2.481 335 S HA -0.044 4.576 4.470 0.251 0.000 0.231 335 S C 1.050 175.604 174.600 -0.078 0.000 0.996 335 S CA -0.032 58.109 58.200 -0.098 0.000 0.942 335 S CB -0.771 62.390 63.200 -0.065 0.000 0.768 335 S HN 0.062 nan 8.310 nan 0.000 0.520 336 R N 2.289 122.730 120.500 -0.098 0.000 2.740 336 R HA 0.044 4.534 4.340 0.251 0.000 0.263 336 R C 0.528 176.813 176.300 -0.025 0.000 0.997 336 R CA 0.132 56.200 56.100 -0.053 0.000 1.108 336 R CB 0.242 30.509 30.300 -0.054 0.000 0.969 336 R HN 0.400 nan 8.270 nan 0.000 0.431 337 K N 2.059 122.460 120.400 0.002 0.000 2.484 337 K HA -0.031 4.440 4.320 0.251 0.000 0.280 337 K C -0.755 175.868 176.600 0.038 0.000 1.013 337 K CA 0.573 56.871 56.287 0.018 0.000 1.029 337 K CB 0.406 32.919 32.500 0.023 0.000 0.902 337 K HN 0.765 nan 8.250 nan 0.000 0.481 338 S N 1.792 117.517 115.700 0.042 0.000 2.611 338 S HA 0.742 5.363 4.470 0.251 0.000 0.268 338 S C -0.450 174.197 174.600 0.078 0.000 1.156 338 S CA -0.206 58.034 58.200 0.066 0.000 0.817 338 S CB 1.335 64.559 63.200 0.041 0.000 1.122 338 S HN 1.276 nan 8.310 nan 0.000 0.466 339 G N -0.670 108.200 108.800 0.117 0.000 2.497 339 G HA2 0.530 4.640 3.960 0.251 0.000 0.686 339 G HA3 0.530 4.640 3.960 0.251 0.000 0.686 339 G C 0.700 175.685 174.900 0.141 0.000 1.288 339 G CA 0.408 45.589 45.100 0.134 0.000 0.899 339 G HN 2.814 nan 8.290 nan 0.000 0.608 340 G N -0.545 108.343 108.800 0.146 0.000 2.562 340 G HA2 0.284 4.394 3.960 0.251 0.000 0.250 340 G HA3 0.284 4.394 3.960 0.251 0.000 0.250 340 G C 1.469 176.406 174.900 0.063 0.000 1.269 340 G CA 1.895 47.042 45.100 0.077 0.000 0.919 340 G HN 2.510 nan 8.290 nan 0.000 0.574 341 A N -0.630 122.101 122.820 -0.149 0.000 2.167 341 A HA 0.547 5.017 4.320 0.251 0.000 0.214 341 A C 2.597 180.155 177.584 -0.044 0.000 1.151 341 A CA 2.148 53.892 52.037 -0.489 0.000 0.735 341 A CB -0.529 18.192 19.000 -0.465 0.000 0.802 341 A HN 2.284 nan 8.150 nan 0.000 0.467 342 A N -0.920 121.977 122.820 0.129 0.000 2.238 342 A HA 0.150 4.620 4.320 0.251 0.000 0.208 342 A C 1.260 179.039 177.584 0.324 0.000 1.177 342 A CA 0.536 52.713 52.037 0.233 0.000 0.804 342 A CB -0.258 18.840 19.000 0.164 0.000 0.823 342 A HN 0.405 nan 8.150 nan 0.000 0.482 343 Q N 0.522 120.570 119.800 0.413 0.000 2.409 343 Q HA 0.239 4.730 4.340 0.251 0.000 0.240 343 Q C 0.587 176.850 176.000 0.439 0.000 1.226 343 Q CA -0.116 55.936 55.803 0.414 0.000 0.895 343 Q CB -0.005 29.024 28.738 0.485 0.000 1.491 343 Q HN 0.344 nan 8.270 nan 0.000 0.509 344 L N 2.483 123.897 121.223 0.319 0.000 2.265 344 L HA -0.079 4.412 4.340 0.251 0.000 0.215 344 L C 1.459 178.424 176.870 0.158 0.000 1.117 344 L CA 1.605 56.605 54.840 0.267 0.000 0.782 344 L CB -0.292 41.899 42.059 0.220 0.000 0.914 344 L HN 0.590 nan 8.230 nan 0.000 0.441 345 S N -1.051 114.679 115.700 0.049 0.000 2.474 345 S HA -0.025 4.595 4.470 0.251 0.000 0.235 345 S C 1.338 175.839 174.600 -0.166 0.000 0.997 345 S CA 0.861 59.003 58.200 -0.097 0.000 0.949 345 S CB -0.407 62.658 63.200 -0.224 0.000 0.766 345 S HN 0.515 nan 8.310 nan 0.000 0.517 346 F N 1.291 121.226 119.950 -0.026 0.000 2.660 346 F HA 0.335 4.976 4.527 0.190 0.000 0.302 346 F C 1.617 177.215 175.800 -0.335 0.000 1.103 346 F CA -0.086 57.727 58.000 -0.311 0.000 1.340 346 F CB 0.142 38.689 39.000 -0.755 0.000 1.048 346 F HN 0.317 nan 8.300 nan 0.000 0.551 347 G N 0.674 109.539 108.800 0.108 0.000 2.568 347 G HA2 -0.241 3.870 3.960 0.251 0.000 0.222 347 G HA3 -0.241 3.870 3.960 0.251 0.000 0.222 347 G C -1.313 173.847 174.900 0.434 0.000 1.321 347 G CA -0.416 44.795 45.100 0.184 0.000 0.893 347 G HN 0.509 nan 8.290 nan 0.000 0.569 348 H N -0.718 118.530 119.070 0.297 0.000 3.137 348 H HA 0.660 5.364 4.556 0.246 0.000 0.336 348 H C 0.489 175.952 175.328 0.225 0.000 1.055 348 H CA 1.884 58.111 56.048 0.298 0.000 1.349 348 H CB 0.977 30.832 29.762 0.155 0.000 1.939 348 H HN 2.614 nan 8.280 nan 0.000 0.487 349 G N 1.453 110.093 108.800 -0.266 0.000 2.466 349 G HA2 -0.221 3.890 3.960 0.251 0.000 0.218 349 G HA3 -0.221 3.890 3.960 0.251 0.000 0.218 349 G C 1.030 175.928 174.900 -0.003 0.000 1.237 349 G CA 0.428 45.403 45.100 -0.210 0.000 0.954 349 G HN 1.465 nan 8.290 nan 0.000 0.580 350 V N -2.510 117.393 119.914 -0.019 0.000 2.809 350 V HA 0.134 4.405 4.120 0.251 0.000 0.256 350 V C 1.899 177.964 176.094 -0.049 0.000 1.080 350 V CA 2.779 65.056 62.300 -0.038 0.000 1.102 350 V CB -0.732 31.024 31.823 -0.112 0.000 0.705 350 V HN 0.723 nan 8.190 nan 0.000 0.475 351 H N -0.995 118.094 119.070 0.031 0.000 2.529 351 H HA 0.343 5.048 4.556 0.249 0.000 0.277 351 H C 0.485 175.900 175.328 0.144 0.000 1.004 351 H CA -0.571 55.512 56.048 0.058 0.000 1.167 351 H CB -0.078 29.653 29.762 -0.051 0.000 1.445 351 H HN 0.490 nan 8.280 nan 0.000 0.554 352 F N 1.702 121.737 119.950 0.142 0.000 2.579 352 F HA -0.168 4.537 4.527 0.297 0.000 0.397 352 F C 0.702 176.579 175.800 0.128 0.000 1.027 352 F CA -0.483 57.597 58.000 0.134 0.000 1.217 352 F CB 0.097 39.147 39.000 0.083 0.000 0.986 352 F HN 0.207 nan 8.300 nan 0.000 0.551 353 C N 8.855 127.876 119.300 -0.464 0.000 2.271 353 C HA -0.095 4.516 4.460 0.251 0.000 0.397 353 C C 1.813 176.750 174.990 -0.089 0.000 1.533 353 C CA -0.210 58.662 59.018 -0.243 0.000 1.433 353 C CB -1.746 25.812 27.740 -0.303 0.000 2.511 353 C HN 1.022 nan 8.230 nan 0.000 0.610 354 L N 5.999 127.270 121.223 0.080 0.000 2.191 354 L HA 0.143 4.633 4.340 0.251 0.000 0.212 354 L C 2.182 179.190 176.870 0.231 0.000 1.103 354 L CA 2.389 57.344 54.840 0.192 0.000 0.769 354 L CB -0.440 41.779 42.059 0.267 0.000 0.908 354 L HN 0.898 nan 8.230 nan 0.000 0.438 355 G N -2.131 106.738 108.800 0.116 0.000 3.141 355 G HA2 0.174 4.284 3.960 0.251 0.000 0.218 355 G HA3 0.174 4.284 3.960 0.251 0.000 0.218 355 G C 1.490 176.345 174.900 -0.075 0.000 1.170 355 G CA 0.407 45.598 45.100 0.151 0.000 0.769 355 G HN 0.522 nan 8.290 nan 0.000 0.546 356 A N 2.080 124.681 122.820 -0.366 0.000 1.917 356 A HA -0.029 4.442 4.320 0.251 0.000 0.219 356 A C 0.631 178.006 177.584 -0.347 0.000 1.182 356 A CA 1.780 53.289 52.037 -0.878 0.000 0.633 356 A CB -1.004 17.317 19.000 -1.131 0.000 0.819 356 A HN 0.358 nan 8.150 nan 0.000 0.448 357 P HA -0.115 nan 4.420 nan 0.000 0.218 357 P C 1.581 178.880 177.300 -0.002 0.000 1.149 357 P CA 0.784 63.859 63.100 -0.042 0.000 0.817 357 P CB -0.030 31.643 31.700 -0.045 0.000 0.785 358 L N -0.377 120.861 121.223 0.025 0.000 2.072 358 L HA 0.048 4.539 4.340 0.251 0.000 0.205 358 L C 2.209 179.138 176.870 0.097 0.000 1.079 358 L CA 1.773 56.659 54.840 0.077 0.000 0.752 358 L CB -1.610 40.549 42.059 0.166 0.000 0.906 358 L HN -0.137 nan 8.230 nan 0.000 0.436 359 A N -0.064 122.821 122.820 0.109 0.000 1.865 359 A HA -0.255 4.215 4.320 0.251 0.000 0.217 359 A C 2.442 180.145 177.584 0.199 0.000 1.191 359 A CA 2.084 54.233 52.037 0.187 0.000 0.623 359 A CB -0.597 18.604 19.000 0.335 0.000 0.826 359 A HN 0.503 nan 8.150 nan 0.000 0.444 360 R N -1.270 119.345 120.500 0.191 0.000 2.081 360 R HA -0.098 4.392 4.340 0.251 0.000 0.235 360 R C 2.173 178.547 176.300 0.124 0.000 1.131 360 R CA 1.406 57.618 56.100 0.187 0.000 0.960 360 R CB -0.560 29.844 30.300 0.175 0.000 0.856 360 R HN 0.509 nan 8.270 nan 0.000 0.436 361 L N 1.345 122.624 121.223 0.093 0.000 1.994 361 L HA -0.167 4.323 4.340 0.251 0.000 0.208 361 L C 2.181 179.101 176.870 0.083 0.000 1.071 361 L CA 1.950 56.835 54.840 0.075 0.000 0.745 361 L CB -0.523 41.568 42.059 0.053 0.000 0.892 361 L HN 0.134 nan 8.230 nan 0.000 0.431 362 E N -0.898 119.356 120.200 0.090 0.000 2.072 362 E HA -0.210 4.290 4.350 0.251 0.000 0.191 362 E C 1.885 178.543 176.600 0.098 0.000 0.985 362 E CA 1.323 57.777 56.400 0.090 0.000 0.801 362 E CB -0.087 29.667 29.700 0.090 0.000 0.750 362 E HN 0.598 nan 8.360 nan 0.000 0.452 363 N N 0.360 119.124 118.700 0.108 0.000 2.270 363 N HA -0.138 4.753 4.740 0.251 0.000 0.181 363 N C 1.914 177.486 175.510 0.102 0.000 1.016 363 N CA 0.732 53.846 53.050 0.107 0.000 0.870 363 N CB -0.165 38.386 38.487 0.107 0.000 0.979 363 N HN 0.192 nan 8.380 nan 0.000 0.431 364 R N 1.468 122.027 120.500 0.098 0.000 2.070 364 R HA -0.072 4.419 4.340 0.251 0.000 0.233 364 R C 1.981 178.335 176.300 0.090 0.000 1.137 364 R CA 1.272 57.426 56.100 0.089 0.000 0.945 364 R CB -0.340 30.009 30.300 0.082 0.000 0.845 364 R HN -0.101 nan 8.270 nan 0.000 0.430 365 V N 1.436 121.402 119.914 0.085 0.000 2.332 365 V HA -0.244 4.026 4.120 0.251 0.000 0.248 365 V C 2.589 178.742 176.094 0.098 0.000 1.055 365 V CA 1.986 64.336 62.300 0.082 0.000 1.038 365 V CB -0.894 30.972 31.823 0.071 0.000 0.651 365 V HN 0.609 nan 8.190 nan 0.000 0.450 366 A N -0.358 122.527 122.820 0.109 0.000 1.933 366 A HA -0.184 4.286 4.320 0.251 0.000 0.218 366 A C 2.153 179.834 177.584 0.161 0.000 1.175 366 A CA 2.078 54.194 52.037 0.132 0.000 0.628 366 A CB -0.503 18.578 19.000 0.135 0.000 0.814 366 A HN 0.452 nan 8.150 nan 0.000 0.444 367 L N -0.082 121.232 121.223 0.152 0.000 2.109 367 L HA -0.034 4.456 4.340 0.251 0.000 0.207 367 L C 2.090 179.074 176.870 0.189 0.000 1.086 367 L CA 2.122 57.072 54.840 0.184 0.000 0.760 367 L CB -0.711 41.428 42.059 0.133 0.000 0.910 367 L HN 0.501 nan 8.230 nan 0.000 0.437 368 E N -0.536 119.749 120.200 0.140 0.000 2.097 368 E HA -0.236 4.264 4.350 0.251 0.000 0.196 368 E C 1.972 178.646 176.600 0.122 0.000 1.000 368 E CA 1.502 57.976 56.400 0.123 0.000 0.804 368 E CB -0.033 29.721 29.700 0.090 0.000 0.740 368 E HN 0.481 nan 8.360 nan 0.000 0.454 369 E N 0.326 120.597 120.200 0.118 0.000 2.152 369 E HA -0.111 4.390 4.350 0.251 0.000 0.192 369 E C 2.165 178.839 176.600 0.122 0.000 0.983 369 E CA 0.523 56.978 56.400 0.092 0.000 0.818 369 E CB -0.086 29.662 29.700 0.081 0.000 0.758 369 E HN 0.353 nan 8.360 nan 0.000 0.467 370 I N 0.908 121.616 120.570 0.229 0.000 2.179 370 I HA -0.278 4.042 4.170 0.251 0.000 0.242 370 I C 2.409 178.723 176.117 0.329 0.000 1.088 370 I CA 1.073 62.601 61.300 0.380 0.000 1.357 370 I CB -0.210 38.051 38.000 0.435 0.000 1.051 370 I HN 0.039 nan 8.210 nan 0.000 0.409 371 I N 0.477 121.223 120.570 0.292 0.000 2.252 371 I HA -0.276 4.044 4.170 0.251 0.000 0.245 371 I C 2.785 178.982 176.117 0.132 0.000 1.102 371 I CA 1.197 62.651 61.300 0.257 0.000 1.385 371 I CB -0.490 37.690 38.000 0.300 0.000 1.064 371 I HN 0.194 nan 8.210 nan 0.000 0.414 372 A N 0.880 123.750 122.820 0.082 0.000 1.917 372 A HA -0.279 4.192 4.320 0.251 0.000 0.219 372 A C 2.445 179.988 177.584 -0.069 0.000 1.182 372 A CA 2.209 54.254 52.037 0.013 0.000 0.633 372 A CB -0.619 18.385 19.000 0.007 0.000 0.819 372 A HN 0.412 nan 8.150 nan 0.000 0.448 373 R N -2.391 117.999 120.500 -0.183 0.000 2.090 373 R HA 0.065 4.556 4.340 0.251 0.000 0.219 373 R C 1.273 177.314 176.300 -0.432 0.000 1.100 373 R CA 1.398 57.239 56.100 -0.433 0.000 0.991 373 R CB -0.135 29.671 30.300 -0.823 0.000 0.893 373 R HN 0.450 nan 8.270 nan 0.000 0.443 374 F N -0.914 119.048 119.950 0.019 0.000 2.717 374 F HA 0.412 5.088 4.527 0.249 0.000 0.297 374 F C 1.730 177.490 175.800 -0.067 0.000 1.113 374 F CA 0.486 58.474 58.000 -0.020 0.000 1.319 374 F CB 0.685 39.668 39.000 -0.028 0.000 1.097 374 F HN 0.336 nan 8.300 nan 0.000 0.595 375 G N 1.273 110.143 108.800 0.117 0.000 2.562 375 G HA2 -0.350 3.760 3.960 0.251 0.000 0.241 375 G HA3 -0.350 3.760 3.960 0.251 0.000 0.241 375 G C 0.595 175.462 174.900 -0.055 0.000 1.120 375 G CA 0.663 45.802 45.100 0.064 0.000 0.673 375 G HN 0.592 nan 8.290 nan 0.000 0.519 376 R N -1.422 118.877 120.500 -0.335 0.000 2.728 376 R HA 0.755 5.245 4.340 0.251 0.000 0.274 376 R C -1.684 174.048 176.300 -0.947 0.000 1.032 376 R CA -1.113 54.252 56.100 -1.224 0.000 0.866 376 R CB 0.627 30.189 30.300 -1.230 0.000 1.263 376 R HN 0.434 nan 8.270 nan 0.000 0.475 377 L N 0.291 120.768 121.223 -1.243 0.000 2.371 377 L HA 0.668 5.158 4.340 0.251 0.000 0.262 377 L C -0.524 176.126 176.870 -0.367 0.000 1.006 377 L CA -0.995 53.496 54.840 -0.582 0.000 0.818 377 L CB 2.623 44.461 42.059 -0.369 0.000 1.354 377 L HN 0.844 nan 8.230 nan 0.000 0.415 378 T N 0.332 114.737 114.554 -0.248 0.000 2.907 378 T HA 0.570 5.070 4.350 0.251 0.000 0.292 378 T C -0.827 173.800 174.700 -0.122 0.000 1.043 378 T CA -0.436 61.596 62.100 -0.114 0.000 1.003 378 T CB 1.657 70.463 68.868 -0.104 0.000 1.084 378 T HN 0.205 nan 8.240 nan 0.000 0.483 379 V N 4.431 124.307 119.914 -0.063 0.000 2.521 379 V HA 0.185 4.455 4.120 0.251 0.000 0.286 379 V C 0.716 176.758 176.094 -0.086 0.000 1.034 379 V CA -0.461 61.794 62.300 -0.075 0.000 1.045 379 V CB 0.903 32.707 31.823 -0.032 0.000 0.974 379 V HN 0.846 nan 8.190 nan 0.000 0.480 380 D N 5.045 125.377 120.400 -0.113 0.000 2.401 380 D HA 0.029 4.820 4.640 0.251 0.000 0.254 380 D C 1.286 177.545 176.300 -0.069 0.000 1.192 380 D CA -0.388 53.550 54.000 -0.103 0.000 0.885 380 D CB 0.931 41.657 40.800 -0.123 0.000 1.147 380 D HN 0.555 nan 8.370 nan 0.000 0.478 381 R N 2.922 123.388 120.500 -0.057 0.000 2.246 381 R HA -0.054 4.436 4.340 0.251 0.000 0.199 381 R C 0.625 176.902 176.300 -0.038 0.000 0.984 381 R CA 0.728 56.803 56.100 -0.040 0.000 1.015 381 R CB -0.886 29.394 30.300 -0.034 0.000 0.930 381 R HN 0.419 nan 8.270 nan 0.000 0.475 382 D N -0.318 120.055 120.400 -0.045 0.000 2.336 382 D HA 0.041 4.832 4.640 0.251 0.000 0.228 382 D C -0.723 175.550 176.300 -0.044 0.000 1.120 382 D CA -0.398 53.577 54.000 -0.041 0.000 0.839 382 D CB 0.119 40.895 40.800 -0.039 0.000 0.932 382 D HN 0.011 nan 8.370 nan 0.000 0.509 383 D N 0.604 120.974 120.400 -0.049 0.000 2.602 383 D HA 0.106 4.896 4.640 0.251 0.000 0.245 383 D C -1.191 175.080 176.300 -0.048 0.000 1.325 383 D CA -0.351 53.616 54.000 -0.055 0.000 0.952 383 D CB 1.293 42.051 40.800 -0.071 0.000 1.317 383 D HN 0.100 nan 8.370 nan 0.000 0.577 384 E N 3.309 123.484 120.200 -0.043 0.000 2.884 384 E HA 0.091 4.592 4.350 0.251 0.000 0.221 384 E C 0.826 177.398 176.600 -0.047 0.000 1.137 384 E CA -0.186 56.194 56.400 -0.033 0.000 1.160 384 E CB 0.429 30.119 29.700 -0.016 0.000 1.385 384 E HN 0.345 nan 8.360 nan 0.000 0.442 385 R N 2.170 122.627 120.500 -0.071 0.000 2.313 385 R HA 0.053 4.543 4.340 0.251 0.000 0.199 385 R C 0.328 176.600 176.300 -0.045 0.000 0.958 385 R CA -0.052 55.984 56.100 -0.108 0.000 1.047 385 R CB 0.096 30.282 30.300 -0.190 0.000 0.955 385 R HN 0.208 nan 8.270 nan 0.000 0.481 386 L N 2.676 123.885 121.223 -0.022 0.000 2.395 386 L HA 0.163 4.654 4.340 0.251 0.000 0.268 386 L C -0.515 176.361 176.870 0.011 0.000 1.223 386 L CA 0.206 55.039 54.840 -0.012 0.000 1.093 386 L CB 0.062 42.120 42.059 -0.003 0.000 1.349 386 L HN 0.016 nan 8.230 nan 0.000 0.427 387 R N 3.086 123.573 120.500 -0.021 0.000 2.215 387 R HA 0.290 4.780 4.340 0.251 0.000 0.336 387 R C -0.419 175.821 176.300 -0.099 0.000 0.996 387 R CA -0.711 55.377 56.100 -0.021 0.000 0.847 387 R CB 0.705 30.978 30.300 -0.046 0.000 1.127 387 R HN 0.515 nan 8.270 nan 0.000 0.465 388 H N 2.744 121.771 119.070 -0.072 0.000 2.897 388 H HA -0.004 4.702 4.556 0.251 0.000 0.347 388 H C 0.220 175.509 175.328 -0.065 0.000 1.068 388 H CA 0.609 56.643 56.048 -0.023 0.000 1.426 388 H CB 0.584 30.364 29.762 0.031 0.000 1.410 388 H HN 0.297 nan 8.280 nan 0.000 0.597 389 F N 1.635 121.629 119.950 0.074 0.000 2.578 389 F HA -0.067 4.645 4.527 0.308 0.000 0.376 389 F C 1.886 177.733 175.800 0.079 0.000 1.085 389 F CA 0.249 58.280 58.000 0.052 0.000 1.260 389 F CB 0.509 39.520 39.000 0.018 0.000 1.095 389 F HN 0.615 nan 8.300 nan 0.000 0.573 390 E N 1.291 121.618 120.200 0.211 0.000 2.076 390 E HA -0.099 4.402 4.350 0.251 0.000 0.190 390 E C 0.040 176.730 176.600 0.151 0.000 0.979 390 E CA 0.852 57.337 56.400 0.141 0.000 0.807 390 E CB 0.153 29.907 29.700 0.091 0.000 0.761 390 E HN 0.607 nan 8.360 nan 0.000 0.454 391 Q N -1.572 118.331 119.800 0.173 0.000 2.544 391 Q HA 0.282 4.772 4.340 0.251 0.000 0.291 391 Q C 0.201 176.277 176.000 0.127 0.000 1.068 391 Q CA -0.630 55.258 55.803 0.140 0.000 0.785 391 Q CB 2.140 30.944 28.738 0.109 0.000 1.481 391 Q HN -0.088 nan 8.270 nan 0.000 0.430 392 I N -2.747 117.877 120.570 0.091 0.000 4.519 392 I HA -0.292 4.028 4.170 0.251 0.000 0.056 392 I C 0.178 176.336 176.117 0.069 0.000 0.610 392 I CA 1.092 62.436 61.300 0.073 0.000 0.951 392 I CB -1.855 36.185 38.000 0.066 0.000 0.858 392 I HN 0.459 nan 8.210 nan 0.000 0.164 393 V N 2.574 122.467 119.914 -0.035 0.000 2.612 393 V HA 0.507 4.778 4.120 0.251 0.000 0.301 393 V C -0.035 176.002 176.094 -0.095 0.000 1.046 393 V CA -0.555 61.604 62.300 -0.235 0.000 0.946 393 V CB 1.932 33.343 31.823 -0.686 0.000 1.003 393 V HN 0.270 nan 8.190 nan 0.000 0.459 394 L N 5.241 126.390 121.223 -0.124 0.000 2.287 394 L HA 0.845 5.336 4.340 0.251 0.000 0.280 394 L C 0.224 177.092 176.870 -0.004 0.000 1.055 394 L CA 1.100 55.944 54.840 0.006 0.000 0.863 394 L CB 0.164 42.236 42.059 0.022 0.000 1.245 394 L HN 0.853 nan 8.230 nan 0.000 0.432 395 G N 1.905 110.774 108.800 0.115 0.000 2.367 395 G HA2 0.348 4.458 3.960 0.251 0.000 0.272 395 G HA3 0.348 4.458 3.960 0.251 0.000 0.272 395 G C -1.050 173.931 174.900 0.135 0.000 1.271 395 G CA -0.067 45.081 45.100 0.079 0.000 0.893 395 G HN 0.608 nan 8.290 nan 0.000 0.485 396 T N -2.365 112.211 114.554 0.036 0.000 2.887 396 T HA 0.608 5.109 4.350 0.251 0.000 0.288 396 T C 0.909 175.596 174.700 -0.021 0.000 1.021 396 T CA -0.331 61.698 62.100 -0.118 0.000 1.000 396 T CB 2.521 71.196 68.868 -0.323 0.000 1.034 396 T HN 0.743 nan 8.240 nan 0.000 0.467 397 R N 0.608 120.870 120.500 -0.396 0.000 2.115 397 R HA 0.059 4.550 4.340 0.251 0.000 0.226 397 R C 0.406 176.342 176.300 -0.607 0.000 1.100 397 R CA 1.293 57.074 56.100 -0.532 0.000 0.980 397 R CB -0.303 29.536 30.300 -0.768 0.000 0.875 397 R HN 0.809 nan 8.270 nan 0.000 0.445 398 H N -1.627 117.343 119.070 -0.167 0.000 2.894 398 H HA 0.424 5.135 4.556 0.258 0.000 0.368 398 H C -1.397 173.870 175.328 -0.102 0.000 1.181 398 H CA -1.031 54.938 56.048 -0.131 0.000 1.146 398 H CB 1.676 31.351 29.762 -0.144 0.000 1.839 398 H HN -0.033 nan 8.280 nan 0.000 0.557 399 L N 3.088 124.341 121.223 0.050 0.000 2.514 399 L HA 0.317 4.808 4.340 0.251 0.000 0.257 399 L C -2.755 174.078 176.870 -0.061 0.000 1.101 399 L CA -1.424 53.407 54.840 -0.015 0.000 0.911 399 L CB 1.286 43.336 42.059 -0.016 0.000 1.162 399 L HN 0.271 nan 8.230 nan 0.000 0.477 400 P HA 0.160 nan 4.420 nan 0.000 0.262 400 P C -0.791 176.380 177.300 -0.215 0.000 1.199 400 P CA 0.221 63.235 63.100 -0.143 0.000 0.763 400 P CB 0.755 32.389 31.700 -0.111 0.000 0.790 401 V N 2.084 121.768 119.914 -0.383 0.000 3.126 401 V HA 0.673 4.943 4.120 0.251 0.000 0.314 401 V C -0.897 174.886 176.094 -0.518 0.000 1.138 401 V CA -1.134 60.889 62.300 -0.461 0.000 1.034 401 V CB 2.174 33.642 31.823 -0.592 0.000 1.075 401 V HN 0.180 nan 8.190 nan 0.000 0.442 402 L N 1.776 122.747 121.223 -0.420 0.000 2.409 402 L HA 0.829 5.319 4.340 0.251 0.000 0.272 402 L C -0.019 176.643 176.870 -0.346 0.000 0.980 402 L CA -0.804 53.837 54.840 -0.330 0.000 0.826 402 L CB 2.001 43.940 42.059 -0.200 0.000 1.268 402 L HN 0.987 nan 8.230 nan 0.000 0.407 403 A N 1.647 124.279 122.820 -0.313 0.000 2.252 403 A HA 0.571 5.041 4.320 0.251 0.000 0.309 403 A C 0.992 178.524 177.584 -0.087 0.000 1.285 403 A CA 0.009 51.899 52.037 -0.245 0.000 0.900 403 A CB 1.006 19.846 19.000 -0.266 0.000 1.157 403 A HN 0.936 nan 8.150 nan 0.000 0.536 404 G N 1.207 109.956 108.800 -0.084 0.000 2.511 404 G HA2 0.270 4.380 3.960 0.251 0.000 0.217 404 G HA3 0.270 4.380 3.960 0.251 0.000 0.217 404 G C 0.508 175.413 174.900 0.008 0.000 1.133 404 G CA 0.872 45.947 45.100 -0.042 0.000 0.792 404 G HN 0.663 nan 8.290 nan 0.000 0.539 405 S N -1.078 114.653 115.700 0.051 0.000 2.541 405 S HA 0.714 5.334 4.470 0.251 0.000 0.280 405 S C -0.582 174.127 174.600 0.182 0.000 1.112 405 S CA -0.292 57.956 58.200 0.081 0.000 0.925 405 S CB 2.271 65.500 63.200 0.050 0.000 1.067 405 S HN 0.728 nan 8.310 nan 0.000 0.479 406 S N 1.010 116.788 115.700 0.131 0.000 2.595 406 S HA 0.549 5.170 4.470 0.251 0.000 0.270 406 S C -3.001 171.615 174.600 0.027 0.000 1.145 406 S CA -1.100 57.168 58.200 0.113 0.000 0.825 406 S CB 0.756 64.104 63.200 0.245 0.000 1.107 406 S HN 0.305 nan 8.310 nan 0.000 0.461 407 P HA 0.072 nan 4.420 nan 0.000 0.228 407 P C 1.219 178.516 177.300 -0.005 0.000 1.151 407 P CA 0.486 63.569 63.100 -0.028 0.000 0.770 407 P CB 0.074 31.738 31.700 -0.060 0.000 0.786 408 R N -0.578 119.931 120.500 0.015 0.000 2.189 408 R HA 0.022 4.513 4.340 0.251 0.000 0.218 408 R C 0.838 177.152 176.300 0.023 0.000 1.074 408 R CA 0.592 56.705 56.100 0.023 0.000 0.991 408 R CB -0.541 29.784 30.300 0.041 0.000 0.883 408 R HN 0.456 nan 8.270 nan 0.000 0.457 409 Q N 0.588 120.404 119.800 0.028 0.000 2.289 409 Q HA 0.012 4.503 4.340 0.251 0.000 0.273 409 Q C 0.062 176.070 176.000 0.014 0.000 1.029 409 Q CA 0.180 55.996 55.803 0.023 0.000 0.896 409 Q CB 0.967 29.720 28.738 0.025 0.000 1.182 409 Q HN -0.097 nan 8.270 nan 0.000 0.385 410 S N 2.592 118.299 115.700 0.011 0.000 3.548 410 S HA 0.434 5.055 4.470 0.251 0.000 0.195 410 S C 0.033 174.637 174.600 0.007 0.000 1.432 410 S CA -0.514 57.690 58.200 0.007 0.000 1.087 410 S CB -0.397 62.807 63.200 0.006 0.000 1.337 410 S HN 0.644 nan 8.310 nan 0.000 0.505 411 A N 0.000 122.824 122.820 0.007 0.000 2.254 411 A HA 0.000 4.470 4.320 0.251 0.000 0.244 411 A CA 0.000 52.041 52.037 0.006 0.000 0.836 411 A CB 0.000 19.004 19.000 0.007 0.000 0.831 411 A HN 0.000 nan 8.150 nan 0.000 0.486