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 2ol2_1_A DATA FIRST_RESID 28 DATA SEQUENCE DFTFDLYRAL ASAAPSQNIF FSPVSISMSL AMLSLGAGSS TKMQILEGLG DATA SEQUENCE LNLQKSSEKE LHRGFQQLLQ ELNQPRDGFQ LSLGNALFTD LVVDLQDTFV DATA SEQUENCE SAMKTLYLAD TFPTNFRDSA GAMKQINDYV AKQTKGKIVD LLKNLDSNAV DATA SEQUENCE VIMVNYIFFK AKWETSFNHK GTQEQDFYVT SETVVRVPMM SREDQYHYLL DATA SEQUENCE DRNLSCRVVG VPYQGNATAL FILPSEGKMQ QVENGLSEKT LRKWLKMFKK DATA SEQUENCE RQLELYLPKF SIEGSYQLEK VLPSLGISNV FTSHADLSGI SNHSNIQVSE DATA SEQUENCE MVHKAVVEVD ESGTRAAAAT GTIFTFRSAR LNSQRLVFNR PFLMFIVDNN DATA SEQUENCE ILFLGKVNRP 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 28 D HA 0.000 nan 4.640 nan 0.000 0.175 28 D C 0.000 176.404 176.300 0.173 0.000 2.045 28 D CA 0.000 54.119 54.000 0.198 0.000 0.868 28 D CB 0.000 40.993 40.800 0.322 0.000 0.688 29 F N 1.745 121.723 119.950 0.047 0.000 2.039 29 F HA -0.108 4.411 4.527 -0.012 0.000 0.294 29 F C 2.017 177.806 175.800 -0.018 0.000 1.130 29 F CA 1.861 59.867 58.000 0.010 0.000 1.189 29 F CB -0.614 38.386 39.000 -0.000 0.000 0.983 29 F HN 0.364 nan 8.300 nan 0.000 0.471 30 T N 1.115 115.423 114.554 -0.410 0.000 2.635 30 T HA -0.233 4.106 4.350 -0.018 0.000 0.267 30 T C 1.767 176.185 174.700 -0.470 0.000 1.040 30 T CA 2.318 64.044 62.100 -0.623 0.000 1.156 30 T CB -0.786 67.711 68.868 -0.619 0.000 0.863 30 T HN 0.244 nan 8.240 nan 0.000 0.430 31 F N 1.426 121.375 119.950 -0.002 0.000 2.325 31 F HA 0.053 4.565 4.527 -0.026 0.000 0.299 31 F C 2.305 178.141 175.800 0.061 0.000 1.090 31 F CA 0.355 58.396 58.000 0.068 0.000 1.392 31 F CB -0.542 38.491 39.000 0.055 0.000 1.053 31 F HN 0.086 nan 8.300 nan 0.000 0.521 32 D N 0.020 120.484 120.400 0.107 0.000 2.149 32 D HA -0.107 4.522 4.640 -0.018 0.000 0.201 32 D C 2.315 178.568 176.300 -0.078 0.000 0.972 32 D CA 0.711 54.733 54.000 0.037 0.000 0.835 32 D CB -0.402 40.409 40.800 0.018 0.000 0.966 32 D HN 0.164 nan 8.370 nan 0.000 0.476 33 L N 0.128 121.215 121.223 -0.227 0.000 2.056 33 L HA -0.162 4.167 4.340 -0.018 0.000 0.207 33 L C 2.185 178.831 176.870 -0.373 0.000 1.078 33 L CA 1.514 56.115 54.840 -0.398 0.000 0.749 33 L CB -0.980 40.665 42.059 -0.690 0.000 0.901 33 L HN 0.039 nan 8.230 nan 0.000 0.433 34 Y N 0.557 120.727 120.300 -0.216 0.000 2.128 34 Y HA -0.274 4.272 4.550 -0.007 0.000 0.284 34 Y C 2.645 178.505 175.900 -0.066 0.000 1.154 34 Y CA 2.080 60.143 58.100 -0.061 0.000 1.149 34 Y CB -0.222 38.348 38.460 0.184 0.000 0.976 34 Y HN 0.155 nan 8.280 nan 0.000 0.505 35 R N 0.057 120.525 120.500 -0.052 0.000 2.096 35 R HA -0.128 4.201 4.340 -0.018 0.000 0.235 35 R C 2.530 178.716 176.300 -0.190 0.000 1.127 35 R CA 0.989 57.028 56.100 -0.102 0.000 0.968 35 R CB -0.620 29.716 30.300 0.059 0.000 0.861 35 R HN 0.476 nan 8.270 nan 0.000 0.440 36 A N 1.534 124.235 122.820 -0.198 0.000 1.858 36 A HA -0.144 4.166 4.320 -0.018 0.000 0.216 36 A C 2.201 179.639 177.584 -0.243 0.000 1.190 36 A CA 1.193 53.115 52.037 -0.192 0.000 0.617 36 A CB -0.632 18.249 19.000 -0.199 0.000 0.827 36 A HN 0.164 nan 8.150 nan 0.000 0.443 37 L N -0.736 120.265 121.223 -0.370 0.000 2.042 37 L HA -0.229 4.101 4.340 -0.018 0.000 0.210 37 L C 3.114 179.817 176.870 -0.279 0.000 1.076 37 L CA 1.170 55.784 54.840 -0.376 0.000 0.749 37 L CB -0.667 41.015 42.059 -0.628 0.000 0.893 37 L HN 0.458 nan 8.230 nan 0.000 0.432 38 A N -0.431 122.151 122.820 -0.397 0.000 1.877 38 A HA -0.201 4.108 4.320 -0.018 0.000 0.216 38 A C 2.500 179.999 177.584 -0.142 0.000 1.186 38 A CA 2.143 53.999 52.037 -0.301 0.000 0.620 38 A CB -0.700 18.035 19.000 -0.442 0.000 0.822 38 A HN 0.387 nan 8.150 nan 0.000 0.443 39 S N -0.095 115.527 115.700 -0.130 0.000 2.399 39 S HA -0.032 4.427 4.470 -0.018 0.000 0.231 39 S C 2.092 176.661 174.600 -0.052 0.000 1.022 39 S CA 1.102 59.261 58.200 -0.068 0.000 0.983 39 S CB -0.359 62.805 63.200 -0.060 0.000 0.803 39 S HN 0.796 nan 8.310 nan 0.000 0.480 40 A N 0.288 123.068 122.820 -0.067 0.000 2.119 40 A HA 0.558 4.867 4.320 -0.018 0.000 0.216 40 A C 1.164 178.739 177.584 -0.015 0.000 1.152 40 A CA 0.906 52.919 52.037 -0.040 0.000 0.708 40 A CB -0.082 18.890 19.000 -0.046 0.000 0.805 40 A HN 0.470 nan 8.150 nan 0.000 0.460 41 A N 0.055 122.867 122.820 -0.013 0.000 3.409 41 A HA 0.591 4.900 4.320 -0.018 0.000 0.282 41 A C -3.010 174.581 177.584 0.012 0.000 1.064 41 A CA -1.155 50.889 52.037 0.011 0.000 0.889 41 A CB 0.175 19.200 19.000 0.041 0.000 1.251 41 A HN 0.109 nan 8.150 nan 0.000 0.538 42 P HA 0.311 nan 4.420 nan 0.000 0.265 42 P C 1.079 178.399 177.300 0.034 0.000 1.187 42 P CA 1.988 65.100 63.100 0.020 0.000 0.766 42 P CB 0.685 32.396 31.700 0.018 0.000 0.820 43 S N -0.162 115.567 115.700 0.047 0.000 3.445 43 S HA -0.271 4.188 4.470 -0.018 0.000 0.319 43 S C 0.300 174.934 174.600 0.057 0.000 1.209 43 S CA 1.210 59.445 58.200 0.058 0.000 0.934 43 S CB -2.381 60.850 63.200 0.051 0.000 0.999 43 S HN 0.602 nan 8.310 nan 0.000 0.582 44 Q N -0.017 119.817 119.800 0.058 0.000 2.387 44 Q HA 0.564 4.893 4.340 -0.018 0.000 0.273 44 Q C -0.546 175.502 176.000 0.080 0.000 1.089 44 Q CA -1.282 54.557 55.803 0.059 0.000 0.824 44 Q CB 0.772 29.542 28.738 0.054 0.000 1.367 44 Q HN 0.394 nan 8.270 nan 0.000 0.443 45 N N 0.997 119.743 118.700 0.077 0.000 2.441 45 N HA 0.174 4.903 4.740 -0.018 0.000 0.251 45 N C -0.811 174.816 175.510 0.196 0.000 1.242 45 N CA 0.493 53.605 53.050 0.104 0.000 0.898 45 N CB 0.446 38.970 38.487 0.062 0.000 1.100 45 N HN 0.381 nan 8.380 nan 0.000 0.443 46 I N 1.610 122.349 120.570 0.283 0.000 2.647 46 I HA 0.484 4.643 4.170 -0.018 0.000 0.295 46 I C -0.878 175.597 176.117 0.596 0.000 1.078 46 I CA -0.561 60.980 61.300 0.401 0.000 1.048 46 I CB 1.170 39.331 38.000 0.269 0.000 1.239 46 I HN 0.358 nan 8.210 nan 0.000 0.421 47 F N 7.864 128.124 119.950 0.516 0.000 2.767 47 F HA 0.551 5.067 4.527 -0.018 0.000 0.341 47 F C -1.491 174.729 175.800 0.700 0.000 1.192 47 F CA -0.859 57.430 58.000 0.482 0.000 1.127 47 F CB 1.177 40.366 39.000 0.316 0.000 1.388 47 F HN 0.349 nan 8.300 nan 0.000 0.574 48 F N 1.992 121.828 119.950 -0.191 0.000 2.745 48 F HA 0.765 5.288 4.527 -0.007 0.000 0.316 48 F C -1.429 174.294 175.800 -0.128 0.000 1.155 48 F CA -1.472 56.574 58.000 0.076 0.000 0.937 48 F CB 1.204 40.193 39.000 -0.019 0.000 1.361 48 F HN 0.256 nan 8.300 nan 0.000 0.472 49 S N 1.480 117.222 115.700 0.069 0.000 2.474 49 S HA 0.557 5.016 4.470 -0.018 0.000 0.321 49 S C -2.258 172.199 174.600 -0.237 0.000 1.080 49 S CA -1.567 56.404 58.200 -0.381 0.000 1.106 49 S CB 1.290 64.266 63.200 -0.372 0.000 0.984 49 S HN 0.491 nan 8.310 nan 0.000 0.464 50 P HA -0.087 nan 4.420 nan 0.000 0.214 50 P C 1.685 179.006 177.300 0.035 0.000 1.162 50 P CA 0.506 63.538 63.100 -0.112 0.000 0.874 50 P CB 0.014 31.566 31.700 -0.246 0.000 0.784 51 V N -0.065 119.823 119.914 -0.042 0.000 2.324 51 V HA -0.283 3.826 4.120 -0.018 0.000 0.250 51 V C 2.458 178.589 176.094 0.062 0.000 1.060 51 V CA 2.820 65.157 62.300 0.061 0.000 1.042 51 V CB -1.323 30.508 31.823 0.012 0.000 0.650 51 V HN 0.182 nan 8.190 nan 0.000 0.450 52 S N -0.869 114.824 115.700 -0.012 0.000 2.399 52 S HA -0.124 4.335 4.470 -0.018 0.000 0.231 52 S C 1.849 176.461 174.600 0.020 0.000 1.022 52 S CA 1.881 60.089 58.200 0.015 0.000 0.983 52 S CB -0.519 62.719 63.200 0.064 0.000 0.803 52 S HN 0.648 nan 8.310 nan 0.000 0.480 53 I N 0.994 121.588 120.570 0.039 0.000 2.233 53 I HA -0.095 4.064 4.170 -0.018 0.000 0.243 53 I C 2.632 178.756 176.117 0.012 0.000 1.093 53 I CA 1.085 62.408 61.300 0.039 0.000 1.380 53 I CB -0.493 37.558 38.000 0.086 0.000 1.067 53 I HN 0.290 nan 8.210 nan 0.000 0.413 54 S N 0.631 116.350 115.700 0.032 0.000 2.383 54 S HA -0.240 4.219 4.470 -0.018 0.000 0.229 54 S C 1.998 176.358 174.600 -0.401 0.000 1.030 54 S CA 1.564 59.679 58.200 -0.142 0.000 1.002 54 S CB -0.331 62.918 63.200 0.081 0.000 0.829 54 S HN 0.394 nan 8.310 nan 0.000 0.467 55 M N 1.780 121.085 119.600 -0.493 0.000 2.117 55 M HA -0.156 4.313 4.480 -0.018 0.000 0.262 55 M C 2.257 178.232 176.300 -0.542 0.000 1.065 55 M CA 1.858 56.673 55.300 -0.809 0.000 1.114 55 M CB -0.326 32.058 32.600 -0.360 0.000 1.361 55 M HN 0.465 nan 8.290 nan 0.000 0.408 56 S N 0.150 115.664 115.700 -0.311 0.000 2.406 56 S HA -0.090 4.369 4.470 -0.018 0.000 0.228 56 S C 1.769 176.223 174.600 -0.244 0.000 1.020 56 S CA 0.930 58.979 58.200 -0.251 0.000 0.965 56 S CB -0.912 62.230 63.200 -0.096 0.000 0.798 56 S HN 0.587 nan 8.310 nan 0.000 0.488 57 L N 1.274 122.369 121.223 -0.214 0.000 2.056 57 L HA 0.036 4.365 4.340 -0.018 0.000 0.207 57 L C 3.199 179.954 176.870 -0.192 0.000 1.078 57 L CA 1.094 55.831 54.840 -0.172 0.000 0.749 57 L CB -0.821 41.141 42.059 -0.162 0.000 0.901 57 L HN 0.457 nan 8.230 nan 0.000 0.433 58 A N -0.087 122.580 122.820 -0.256 0.000 1.877 58 A HA -0.286 4.023 4.320 -0.018 0.000 0.216 58 A C 2.358 179.869 177.584 -0.122 0.000 1.186 58 A CA 1.976 53.944 52.037 -0.116 0.000 0.620 58 A CB -0.610 18.347 19.000 -0.072 0.000 0.822 58 A HN 0.423 nan 8.150 nan 0.000 0.443 59 M N -0.908 118.347 119.600 -0.575 0.000 2.082 59 M HA -0.198 4.271 4.480 -0.018 0.000 0.258 59 M C 2.053 178.192 176.300 -0.269 0.000 1.069 59 M CA 2.305 57.106 55.300 -0.832 0.000 1.102 59 M CB -0.249 31.686 32.600 -1.109 0.000 1.336 59 M HN 0.388 nan 8.290 nan 0.000 0.404 60 L N 0.648 121.766 121.223 -0.175 0.000 2.083 60 L HA -0.140 4.190 4.340 -0.018 0.000 0.209 60 L C 2.575 179.431 176.870 -0.024 0.000 1.083 60 L CA 2.298 57.109 54.840 -0.050 0.000 0.752 60 L CB -0.825 41.186 42.059 -0.079 0.000 0.899 60 L HN 0.590 nan 8.230 nan 0.000 0.433 61 S N -1.350 114.337 115.700 -0.022 0.000 2.500 61 S HA -0.149 4.310 4.470 -0.018 0.000 0.239 61 S C 1.934 176.573 174.600 0.065 0.000 0.989 61 S CA 1.008 59.214 58.200 0.011 0.000 0.951 61 S CB -0.903 62.318 63.200 0.035 0.000 0.759 61 S HN 0.550 nan 8.310 nan 0.000 0.523 62 L N 0.528 121.813 121.223 0.104 0.000 2.201 62 L HA 0.081 4.411 4.340 -0.018 0.000 0.212 62 L C 2.402 179.358 176.870 0.143 0.000 1.105 62 L CA 1.153 56.076 54.840 0.139 0.000 0.775 62 L CB -0.533 41.601 42.059 0.125 0.000 0.913 62 L HN 0.598 nan 8.230 nan 0.000 0.440 63 G N -1.191 107.610 108.800 0.002 0.000 3.377 63 G HA2 0.460 4.409 3.960 -0.018 0.000 0.257 63 G HA3 0.460 4.409 3.960 -0.018 0.000 0.257 63 G C 0.253 175.012 174.900 -0.236 0.000 1.038 63 G CA 0.340 45.263 45.100 -0.295 0.000 0.809 63 G HN 0.244 nan 8.290 nan 0.000 0.526 64 A N -0.083 122.656 122.820 -0.135 0.000 2.304 64 A HA 0.858 5.168 4.320 -0.018 0.000 0.301 64 A C 0.500 178.029 177.584 -0.092 0.000 1.132 64 A CA 0.135 52.096 52.037 -0.127 0.000 0.819 64 A CB 1.188 20.119 19.000 -0.115 0.000 1.094 64 A HN 0.598 nan 8.150 nan 0.000 0.492 65 G N -0.568 108.171 108.800 -0.101 0.000 2.816 65 G HA2 0.653 4.602 3.960 -0.018 0.000 0.288 65 G HA3 0.653 4.602 3.960 -0.018 0.000 0.288 65 G C 0.425 175.279 174.900 -0.077 0.000 1.334 65 G CA 0.498 45.551 45.100 -0.079 0.000 0.978 65 G HN 2.229 nan 8.290 nan 0.000 0.493 66 S N -0.489 115.176 115.700 -0.058 0.000 4.037 66 S HA -0.389 4.070 4.470 -0.018 0.000 0.541 66 S C 2.151 176.726 174.600 -0.042 0.000 1.833 66 S CA 3.076 61.248 58.200 -0.046 0.000 4.032 66 S CB -1.798 61.371 63.200 -0.052 0.000 1.234 66 S HN 2.232 nan 8.310 nan 0.000 0.625 67 S N 0.243 115.922 115.700 -0.035 0.000 2.453 67 S HA 0.000 4.459 4.470 -0.018 0.000 0.231 67 S C 1.746 176.320 174.600 -0.044 0.000 1.005 67 S CA 1.420 59.607 58.200 -0.022 0.000 0.949 67 S CB -1.262 61.946 63.200 0.013 0.000 0.774 67 S HN 0.841 nan 8.310 nan 0.000 0.510 68 T N 2.308 116.817 114.554 -0.076 0.000 2.777 68 T HA -0.032 4.308 4.350 -0.018 0.000 0.266 68 T C 1.747 176.388 174.700 -0.098 0.000 1.040 68 T CA 1.588 63.625 62.100 -0.106 0.000 1.141 68 T CB -0.246 68.536 68.868 -0.142 0.000 0.868 68 T HN 0.599 nan 8.240 nan 0.000 0.444 69 K N 0.708 121.060 120.400 -0.080 0.000 2.031 69 K HA 0.035 4.344 4.320 -0.018 0.000 0.205 69 K C 2.457 179.028 176.600 -0.049 0.000 1.049 69 K CA 0.939 57.188 56.287 -0.062 0.000 0.939 69 K CB -0.247 32.226 32.500 -0.045 0.000 0.717 69 K HN 0.185 nan 8.250 nan 0.000 0.438 70 M N 1.159 120.736 119.600 -0.039 0.000 2.108 70 M HA -0.238 4.231 4.480 -0.018 0.000 0.261 70 M C 1.886 178.168 176.300 -0.030 0.000 1.066 70 M CA 1.760 57.043 55.300 -0.029 0.000 1.107 70 M CB -0.217 32.371 32.600 -0.020 0.000 1.356 70 M HN 0.298 nan 8.290 nan 0.000 0.406 71 Q N -0.000 119.779 119.800 -0.035 0.000 2.124 71 Q HA -0.167 4.162 4.340 -0.018 0.000 0.202 71 Q C 1.999 177.976 176.000 -0.039 0.000 0.977 71 Q CA 1.693 57.478 55.803 -0.029 0.000 0.850 71 Q CB -0.156 28.562 28.738 -0.033 0.000 0.901 71 Q HN 0.598 nan 8.270 nan 0.000 0.429 72 I N 0.451 120.985 120.570 -0.061 0.000 2.202 72 I HA -0.284 3.876 4.170 -0.018 0.000 0.242 72 I C 2.204 178.275 176.117 -0.077 0.000 1.091 72 I CA 1.004 62.258 61.300 -0.076 0.000 1.368 72 I CB -0.259 37.686 38.000 -0.091 0.000 1.058 72 I HN 0.197 nan 8.210 nan 0.000 0.410 73 L N 0.419 121.606 121.223 -0.060 0.000 2.012 73 L HA -0.223 4.106 4.340 -0.018 0.000 0.210 73 L C 2.523 179.361 176.870 -0.054 0.000 1.073 73 L CA 1.618 56.424 54.840 -0.057 0.000 0.748 73 L CB -0.731 41.304 42.059 -0.040 0.000 0.891 73 L HN 0.293 nan 8.230 nan 0.000 0.431 74 E N 0.034 120.212 120.200 -0.036 0.000 2.153 74 E HA -0.155 4.184 4.350 -0.018 0.000 0.194 74 E C 2.207 178.796 176.600 -0.017 0.000 0.988 74 E CA 0.959 57.348 56.400 -0.020 0.000 0.811 74 E CB -0.284 29.412 29.700 -0.006 0.000 0.746 74 E HN 0.587 nan 8.360 nan 0.000 0.466 75 G N 1.287 110.069 108.800 -0.029 0.000 2.422 75 G HA2 -0.182 3.767 3.960 -0.018 0.000 0.218 75 G HA3 -0.182 3.767 3.960 -0.018 0.000 0.218 75 G C 1.523 176.345 174.900 -0.131 0.000 1.140 75 G CA 0.241 45.333 45.100 -0.014 0.000 0.775 75 G HN 0.104 nan 8.290 nan 0.000 0.545 76 L N 0.368 121.471 121.223 -0.201 0.000 2.492 76 L HA 0.268 4.598 4.340 -0.018 0.000 0.223 76 L C 1.387 178.180 176.870 -0.130 0.000 1.132 76 L CA 0.274 54.941 54.840 -0.288 0.000 0.850 76 L CB -0.586 41.351 42.059 -0.202 0.000 0.966 76 L HN 0.307 nan 8.230 nan 0.000 0.454 77 G N 1.894 110.656 108.800 -0.064 0.000 3.273 77 G HA2 -0.200 3.749 3.960 -0.018 0.000 0.325 77 G HA3 -0.200 3.749 3.960 -0.018 0.000 0.325 77 G C -1.168 173.712 174.900 -0.033 0.000 0.960 77 G CA -0.632 44.454 45.100 -0.023 0.000 0.808 77 G HN 0.038 nan 8.290 nan 0.000 0.387 78 L N 2.781 123.987 121.223 -0.029 0.000 2.343 78 L HA 0.562 4.891 4.340 -0.018 0.000 0.278 78 L C 0.605 177.460 176.870 -0.025 0.000 0.996 78 L CA -1.004 53.817 54.840 -0.033 0.000 0.831 78 L CB 1.228 43.264 42.059 -0.039 0.000 1.232 78 L HN 0.678 nan 8.230 nan 0.000 0.413 79 N N 1.765 120.449 118.700 -0.026 0.000 2.028 79 N HA -0.085 4.644 4.740 -0.018 0.000 0.268 79 N C 0.122 175.622 175.510 -0.016 0.000 1.217 79 N CA 1.327 54.364 53.050 -0.021 0.000 0.849 79 N CB -0.105 38.366 38.487 -0.026 0.000 1.050 79 N HN 0.608 nan 8.380 nan 0.000 0.479 80 L N -0.414 120.801 121.223 -0.013 0.000 2.461 80 L HA 0.508 4.837 4.340 -0.018 0.000 0.272 80 L C 1.761 178.625 176.870 -0.010 0.000 1.197 80 L CA 0.381 55.216 54.840 -0.010 0.000 0.836 80 L CB -1.546 40.508 42.059 -0.008 0.000 1.105 80 L HN 1.077 nan 8.230 nan 0.000 0.477 81 Q N 0.247 120.042 119.800 -0.008 0.000 2.424 81 Q HA -0.231 4.098 4.340 -0.018 0.000 0.234 81 Q C 1.131 177.126 176.000 -0.008 0.000 0.748 81 Q CA 2.018 57.816 55.803 -0.007 0.000 1.286 81 Q CB -2.920 25.814 28.738 -0.007 0.000 1.494 81 Q HN 2.313 nan 8.270 nan 0.000 0.683 82 K N -1.895 118.498 120.400 -0.010 0.000 3.012 82 K HA -0.124 4.186 4.320 -0.018 0.000 0.259 82 K C 0.553 177.145 176.600 -0.013 0.000 0.989 82 K CA 1.858 58.137 56.287 -0.012 0.000 0.728 82 K CB -2.158 30.337 32.500 -0.009 0.000 1.260 82 K HN 2.107 nan 8.250 nan 0.000 0.480 83 S N -0.200 115.491 115.700 -0.015 0.000 2.596 83 S HA 0.400 4.859 4.470 -0.018 0.000 0.260 83 S C 0.284 174.871 174.600 -0.021 0.000 1.336 83 S CA 0.318 58.509 58.200 -0.015 0.000 0.993 83 S CB 0.323 63.513 63.200 -0.016 0.000 0.923 83 S HN 0.492 nan 8.310 nan 0.000 0.567 84 S N 0.996 116.686 115.700 -0.017 0.000 4.647 84 S HA -0.114 4.345 4.470 -0.018 0.000 0.513 84 S C 0.862 175.438 174.600 -0.040 0.000 0.750 84 S CA 1.000 59.188 58.200 -0.019 0.000 1.213 84 S CB -0.498 62.690 63.200 -0.020 0.000 2.150 84 S HN 0.741 nan 8.310 nan 0.000 0.337 85 E N 2.383 122.564 120.200 -0.032 0.000 2.251 85 E HA -0.001 4.338 4.350 -0.018 0.000 0.194 85 E C 1.669 178.195 176.600 -0.125 0.000 0.964 85 E CA 0.096 56.436 56.400 -0.101 0.000 0.868 85 E CB 0.071 29.758 29.700 -0.021 0.000 0.828 85 E HN 0.386 nan 8.360 nan 0.000 0.481 86 K N 0.826 121.258 120.400 0.053 0.000 2.211 86 K HA -0.111 4.198 4.320 -0.018 0.000 0.203 86 K C 2.161 178.799 176.600 0.064 0.000 1.050 86 K CA 1.383 57.758 56.287 0.148 0.000 0.945 86 K CB -0.355 32.213 32.500 0.113 0.000 0.732 86 K HN 0.282 nan 8.250 nan 0.000 0.451 87 E N 1.599 121.797 120.200 -0.003 0.000 2.072 87 E HA -0.090 4.249 4.350 -0.018 0.000 0.190 87 E C 1.952 178.518 176.600 -0.055 0.000 0.982 87 E CA 1.183 57.568 56.400 -0.025 0.000 0.803 87 E CB -0.730 28.947 29.700 -0.038 0.000 0.755 87 E HN 0.214 nan 8.360 nan 0.000 0.453 88 L N 0.511 121.673 121.223 -0.102 0.000 2.042 88 L HA -0.178 4.151 4.340 -0.018 0.000 0.210 88 L C 2.337 179.200 176.870 -0.011 0.000 1.076 88 L CA 2.433 57.197 54.840 -0.127 0.000 0.749 88 L CB -0.601 41.346 42.059 -0.186 0.000 0.893 88 L HN 0.469 nan 8.230 nan 0.000 0.432 89 H N -0.486 118.671 119.070 0.145 0.000 2.457 89 H HA 0.019 4.564 4.556 -0.018 0.000 0.294 89 H C 2.366 177.686 175.328 -0.014 0.000 1.064 89 H CA 0.974 57.108 56.048 0.143 0.000 1.330 89 H CB -0.048 29.790 29.762 0.127 0.000 1.395 89 H HN 0.347 nan 8.280 nan 0.000 0.541 90 R N 0.361 120.908 120.500 0.078 0.000 2.066 90 R HA -0.067 4.262 4.340 -0.018 0.000 0.232 90 R C 2.518 178.792 176.300 -0.044 0.000 1.131 90 R CA 0.999 57.099 56.100 -0.001 0.000 0.955 90 R CB -0.810 29.484 30.300 -0.009 0.000 0.851 90 R HN 0.385 nan 8.270 nan 0.000 0.432 91 G N 0.524 109.271 108.800 -0.088 0.000 2.514 91 G HA2 -0.276 3.674 3.960 -0.018 0.000 0.217 91 G HA3 -0.276 3.674 3.960 -0.018 0.000 0.217 91 G C 1.302 176.101 174.900 -0.168 0.000 1.198 91 G CA 0.773 45.766 45.100 -0.178 0.000 0.780 91 G HN 0.201 nan 8.290 nan 0.000 0.565 92 F N 1.075 120.993 119.950 -0.053 0.000 2.126 92 F HA -0.090 4.425 4.527 -0.019 0.000 0.299 92 F C 2.899 178.595 175.800 -0.173 0.000 1.096 92 F CA 1.586 59.547 58.000 -0.066 0.000 1.255 92 F CB -0.688 38.328 39.000 0.028 0.000 0.997 92 F HN 0.242 nan 8.300 nan 0.000 0.479 93 Q N 0.397 120.148 119.800 -0.082 0.000 2.077 93 Q HA -0.314 4.016 4.340 -0.018 0.000 0.206 93 Q C 2.381 178.340 176.000 -0.068 0.000 0.989 93 Q CA 2.563 58.268 55.803 -0.164 0.000 0.853 93 Q CB -0.232 28.410 28.738 -0.161 0.000 0.907 93 Q HN 0.556 nan 8.270 nan 0.000 0.418 94 Q N 0.642 120.415 119.800 -0.045 0.000 2.049 94 Q HA -0.113 4.216 4.340 -0.018 0.000 0.198 94 Q C 1.995 177.991 176.000 -0.006 0.000 0.971 94 Q CA 1.427 57.213 55.803 -0.028 0.000 0.833 94 Q CB -1.068 27.649 28.738 -0.036 0.000 0.896 94 Q HN 0.506 nan 8.270 nan 0.000 0.434 95 L N 0.149 121.373 121.223 0.001 0.000 2.043 95 L HA -0.146 4.184 4.340 -0.018 0.000 0.212 95 L C 2.428 179.337 176.870 0.065 0.000 1.075 95 L CA 2.071 56.931 54.840 0.034 0.000 0.752 95 L CB -0.670 41.420 42.059 0.052 0.000 0.891 95 L HN 0.512 nan 8.230 nan 0.000 0.432 96 L N -1.082 120.184 121.223 0.071 0.000 2.046 96 L HA -0.269 4.060 4.340 -0.018 0.000 0.208 96 L C 2.712 179.615 176.870 0.055 0.000 1.077 96 L CA 1.649 56.532 54.840 0.072 0.000 0.747 96 L CB -0.364 41.725 42.059 0.051 0.000 0.896 96 L HN 0.453 nan 8.230 nan 0.000 0.432 97 Q N -0.434 119.384 119.800 0.030 0.000 2.002 97 Q HA -0.282 4.048 4.340 -0.018 0.000 0.204 97 Q C 2.115 178.137 176.000 0.036 0.000 0.988 97 Q CA 1.914 57.733 55.803 0.026 0.000 0.843 97 Q CB -0.094 28.649 28.738 0.008 0.000 0.908 97 Q HN 0.348 nan 8.270 nan 0.000 0.420 98 E N 0.621 120.840 120.200 0.031 0.000 2.085 98 E HA -0.154 4.185 4.350 -0.018 0.000 0.194 98 E C 1.887 178.520 176.600 0.056 0.000 0.994 98 E CA 0.933 57.351 56.400 0.031 0.000 0.801 98 E CB -0.160 29.552 29.700 0.021 0.000 0.743 98 E HN 0.276 nan 8.360 nan 0.000 0.453 99 L N 0.632 121.906 121.223 0.085 0.000 2.083 99 L HA -0.138 4.191 4.340 -0.018 0.000 0.209 99 L C 1.421 178.387 176.870 0.160 0.000 1.083 99 L CA 0.860 55.783 54.840 0.138 0.000 0.752 99 L CB -0.294 41.850 42.059 0.141 0.000 0.899 99 L HN 0.138 nan 8.230 nan 0.000 0.433 100 N N 0.744 119.515 118.700 0.118 0.000 2.434 100 N HA -0.039 4.691 4.740 -0.018 0.000 0.196 100 N C 0.042 175.609 175.510 0.096 0.000 1.183 100 N CA 0.212 53.331 53.050 0.115 0.000 0.849 100 N CB 0.109 38.651 38.487 0.092 0.000 0.992 100 N HN 0.560 nan 8.380 nan 0.000 0.460 101 Q N 0.820 120.668 119.800 0.081 0.000 2.398 101 Q HA 0.464 4.793 4.340 -0.018 0.000 0.251 101 Q C -2.650 173.382 176.000 0.053 0.000 0.999 101 Q CA -1.849 53.985 55.803 0.052 0.000 0.874 101 Q CB 0.740 29.492 28.738 0.024 0.000 1.215 101 Q HN -0.125 nan 8.270 nan 0.000 0.470 102 P HA -0.083 nan 4.420 nan 0.000 0.269 102 P C -0.428 176.892 177.300 0.034 0.000 1.200 102 P CA 0.244 63.393 63.100 0.081 0.000 0.779 102 P CB 0.651 32.390 31.700 0.065 0.000 0.841 103 R N 0.148 120.680 120.500 0.052 0.000 2.956 103 R HA 0.631 4.960 4.340 -0.018 0.000 0.106 103 R C -0.511 175.816 176.300 0.044 0.000 0.710 103 R CA -0.391 55.711 56.100 0.003 0.000 0.468 103 R CB 0.025 30.268 30.300 -0.096 0.000 0.593 103 R HN 0.429 nan 8.270 nan 0.000 0.339 104 D N -0.108 120.324 120.400 0.053 0.000 2.421 104 D HA 0.439 5.068 4.640 -0.018 0.000 0.254 104 D C 0.562 176.904 176.300 0.071 0.000 1.238 104 D CA -0.148 53.884 54.000 0.053 0.000 0.919 104 D CB 0.777 41.597 40.800 0.034 0.000 1.152 104 D HN 0.820 nan 8.370 nan 0.000 0.552 105 G N 0.527 109.364 108.800 0.063 0.000 2.141 105 G HA2 -0.128 3.822 3.960 -0.018 0.000 0.242 105 G HA3 -0.128 3.822 3.960 -0.018 0.000 0.242 105 G C 0.180 175.095 174.900 0.024 0.000 0.982 105 G CA 0.131 45.251 45.100 0.033 0.000 0.662 105 G HN 1.122 nan 8.290 nan 0.000 0.527 106 F N 2.454 122.337 119.950 -0.111 0.000 2.371 106 F HA 0.596 5.112 4.527 -0.018 0.000 0.363 106 F C 0.529 176.234 175.800 -0.159 0.000 1.122 106 F CA -0.762 57.126 58.000 -0.185 0.000 1.129 106 F CB 0.931 39.858 39.000 -0.123 0.000 1.173 106 F HN 0.182 nan 8.300 nan 0.000 0.489 107 Q N 7.767 127.231 119.800 -0.560 0.000 2.431 107 Q HA 0.424 4.753 4.340 -0.018 0.000 0.249 107 Q C -1.153 174.603 176.000 -0.407 0.000 1.025 107 Q CA -0.408 55.216 55.803 -0.299 0.000 0.835 107 Q CB 2.179 30.884 28.738 -0.055 0.000 1.207 107 Q HN 0.662 nan 8.270 nan 0.000 0.490 108 L N 1.882 122.984 121.223 -0.201 0.000 2.415 108 L HA 0.456 4.785 4.340 -0.018 0.000 0.268 108 L C -1.103 175.858 176.870 0.152 0.000 0.984 108 L CA -0.303 54.518 54.840 -0.032 0.000 0.853 108 L CB 1.706 43.776 42.059 0.019 0.000 1.215 108 L HN 0.478 nan 8.230 nan 0.000 0.419 109 S N 5.346 121.195 115.700 0.249 0.000 2.530 109 S HA 0.671 5.130 4.470 -0.018 0.000 0.322 109 S C -0.959 173.823 174.600 0.303 0.000 1.085 109 S CA -0.416 57.937 58.200 0.255 0.000 1.096 109 S CB 1.503 64.844 63.200 0.236 0.000 0.988 109 S HN 0.454 nan 8.310 nan 0.000 0.466 110 L N 3.138 124.505 121.223 0.239 0.000 2.422 110 L HA 1.004 5.333 4.340 -0.018 0.000 0.264 110 L C -0.283 176.602 176.870 0.025 0.000 0.984 110 L CA 0.206 55.127 54.840 0.134 0.000 0.819 110 L CB 1.623 43.739 42.059 0.094 0.000 1.330 110 L HN 0.717 nan 8.230 nan 0.000 0.410 111 G N 2.295 110.855 108.800 -0.400 0.000 2.506 111 G HA2 0.533 4.482 3.960 -0.018 0.000 0.292 111 G HA3 0.533 4.482 3.960 -0.018 0.000 0.292 111 G C -2.098 172.345 174.900 -0.761 0.000 1.425 111 G CA -0.819 44.018 45.100 -0.439 0.000 0.788 111 G HN 0.735 nan 8.290 nan 0.000 0.490 112 N N -1.134 117.420 118.700 -0.244 0.000 2.329 112 N HA 0.816 5.545 4.740 -0.018 0.000 0.282 112 N C -0.720 174.845 175.510 0.092 0.000 1.198 112 N CA -0.121 52.872 53.050 -0.096 0.000 0.790 112 N CB 2.503 40.929 38.487 -0.101 0.000 1.579 112 N HN 1.064 nan 8.380 nan 0.000 0.475 113 A N 0.831 123.736 122.820 0.143 0.000 2.574 113 A HA 0.705 5.014 4.320 -0.018 0.000 0.297 113 A C -1.896 175.662 177.584 -0.044 0.000 1.062 113 A CA -0.505 51.522 52.037 -0.016 0.000 0.686 113 A CB 1.086 20.138 19.000 0.087 0.000 1.285 113 A HN 0.541 nan 8.150 nan 0.000 0.403 114 L N 1.452 122.507 121.223 -0.279 0.000 2.333 114 L HA 0.594 4.923 4.340 -0.018 0.000 0.280 114 L C -1.555 175.149 176.870 -0.278 0.000 1.004 114 L CA -0.346 54.436 54.840 -0.097 0.000 0.820 114 L CB 1.549 43.604 42.059 -0.008 0.000 1.247 114 L HN 0.703 nan 8.230 nan 0.000 0.416 115 F N 1.235 121.275 119.950 0.149 0.000 2.411 115 F HA 0.453 4.969 4.527 -0.019 0.000 0.352 115 F C 0.584 176.543 175.800 0.265 0.000 1.123 115 F CA -0.620 57.491 58.000 0.186 0.000 1.044 115 F CB 2.034 41.185 39.000 0.252 0.000 1.135 115 F HN 0.297 nan 8.300 nan 0.000 0.461 116 T N -0.514 114.191 114.554 0.253 0.000 2.841 116 T HA 0.374 4.713 4.350 -0.018 0.000 0.283 116 T C -0.607 174.177 174.700 0.140 0.000 1.000 116 T CA -1.004 61.242 62.100 0.243 0.000 0.977 116 T CB 1.733 70.670 68.868 0.115 0.000 0.979 116 T HN 0.389 nan 8.240 nan 0.000 0.446 117 D N 0.825 121.368 120.400 0.239 0.000 2.406 117 D HA 0.053 4.682 4.640 -0.018 0.000 0.234 117 D C 1.171 177.471 176.300 -0.000 0.000 1.196 117 D CA -0.457 53.617 54.000 0.124 0.000 0.881 117 D CB 0.502 41.432 40.800 0.216 0.000 1.205 117 D HN 0.355 nan 8.370 nan 0.000 0.453 118 L N 2.941 124.149 121.223 -0.026 0.000 2.127 118 L HA -0.134 4.195 4.340 -0.018 0.000 0.211 118 L C 2.286 179.133 176.870 -0.039 0.000 1.089 118 L CA 1.245 56.066 54.840 -0.032 0.000 0.757 118 L CB -0.921 41.122 42.059 -0.026 0.000 0.899 118 L HN 0.617 nan 8.230 nan 0.000 0.434 119 V N -3.673 116.202 119.914 -0.063 0.000 2.343 119 V HA -0.115 3.994 4.120 -0.018 0.000 0.247 119 V C 1.282 177.248 176.094 -0.213 0.000 1.051 119 V CA 0.349 62.581 62.300 -0.113 0.000 1.036 119 V CB -1.209 30.519 31.823 -0.158 0.000 0.654 119 V HN 0.033 nan 8.190 nan 0.000 0.451 120 V N 3.673 123.418 119.914 -0.282 0.000 2.420 120 V HA 0.079 4.188 4.120 -0.018 0.000 0.274 120 V C -0.081 175.973 176.094 -0.067 0.000 1.003 120 V CA 0.137 62.296 62.300 -0.235 0.000 1.092 120 V CB -0.988 30.740 31.823 -0.158 0.000 1.002 120 V HN 0.502 nan 8.190 nan 0.000 0.473 121 D N 5.602 125.996 120.400 -0.010 0.000 2.348 121 D HA 0.334 4.963 4.640 -0.018 0.000 0.253 121 D C 0.124 176.436 176.300 0.020 0.000 1.161 121 D CA -0.031 53.980 54.000 0.018 0.000 0.876 121 D CB 1.538 42.362 40.800 0.040 0.000 1.160 121 D HN 0.351 nan 8.370 nan 0.000 0.459 122 L N 1.944 123.183 121.223 0.026 0.000 2.375 122 L HA 0.153 4.482 4.340 -0.018 0.000 0.271 122 L C 0.932 177.835 176.870 0.054 0.000 1.107 122 L CA -0.697 54.171 54.840 0.047 0.000 0.806 122 L CB 0.672 42.774 42.059 0.071 0.000 1.146 122 L HN 0.064 nan 8.230 nan 0.000 0.447 123 Q N 1.799 121.645 119.800 0.076 0.000 2.314 123 Q HA 0.039 4.369 4.340 -0.018 0.000 0.257 123 Q C 0.343 176.402 176.000 0.098 0.000 0.975 123 Q CA -0.315 55.532 55.803 0.073 0.000 0.933 123 Q CB 1.567 30.341 28.738 0.061 0.000 1.195 123 Q HN 0.631 nan 8.270 nan 0.000 0.426 124 D N 1.681 122.114 120.400 0.054 0.000 2.203 124 D HA -0.232 4.397 4.640 -0.018 0.000 0.199 124 D C 1.392 177.712 176.300 0.034 0.000 0.997 124 D CA 2.200 56.220 54.000 0.034 0.000 0.863 124 D CB -0.445 40.365 40.800 0.017 0.000 0.928 124 D HN 0.601 nan 8.370 nan 0.000 0.458 125 T N -2.942 111.643 114.554 0.052 0.000 2.915 125 T HA -0.148 4.191 4.350 -0.018 0.000 0.269 125 T C 1.773 176.518 174.700 0.077 0.000 1.071 125 T CA 0.792 62.921 62.100 0.048 0.000 1.132 125 T CB -0.738 68.160 68.868 0.050 0.000 0.878 125 T HN 0.179 nan 8.240 nan 0.000 0.479 126 F N 2.268 122.191 119.950 -0.045 0.000 2.118 126 F HA 0.139 4.655 4.527 -0.019 0.000 0.293 126 F C 2.287 178.046 175.800 -0.069 0.000 1.102 126 F CA 0.345 58.309 58.000 -0.060 0.000 1.247 126 F CB -0.711 38.252 39.000 -0.062 0.000 1.017 126 F HN -0.019 nan 8.300 nan 0.000 0.475 127 V N -0.313 119.510 119.914 -0.152 0.000 2.324 127 V HA -0.338 3.771 4.120 -0.018 0.000 0.250 127 V C 2.711 178.659 176.094 -0.243 0.000 1.060 127 V CA 2.157 64.296 62.300 -0.268 0.000 1.042 127 V CB -1.309 30.450 31.823 -0.105 0.000 0.650 127 V HN 0.519 nan 8.190 nan 0.000 0.450 128 S N -0.496 115.119 115.700 -0.140 0.000 2.348 128 S HA -0.189 4.270 4.470 -0.018 0.000 0.221 128 S C 2.180 176.703 174.600 -0.128 0.000 1.033 128 S CA 1.632 59.769 58.200 -0.105 0.000 1.010 128 S CB -0.410 62.757 63.200 -0.055 0.000 0.891 128 S HN 0.633 nan 8.310 nan 0.000 0.442 129 A N 1.975 124.711 122.820 -0.139 0.000 1.908 129 A HA -0.095 4.214 4.320 -0.018 0.000 0.218 129 A C 2.316 179.803 177.584 -0.160 0.000 1.181 129 A CA 1.792 53.749 52.037 -0.133 0.000 0.627 129 A CB -0.670 18.263 19.000 -0.113 0.000 0.818 129 A HN 0.576 nan 8.150 nan 0.000 0.445 130 M N -0.998 118.411 119.600 -0.318 0.000 2.086 130 M HA -0.131 4.338 4.480 -0.018 0.000 0.261 130 M C 2.159 178.371 176.300 -0.146 0.000 1.067 130 M CA 1.495 56.610 55.300 -0.308 0.000 1.116 130 M CB -0.697 31.534 32.600 -0.615 0.000 1.348 130 M HN 0.268 nan 8.290 nan 0.000 0.407 131 K N -0.283 120.016 120.400 -0.167 0.000 2.062 131 K HA -0.041 4.268 4.320 -0.018 0.000 0.205 131 K C 1.973 178.536 176.600 -0.061 0.000 1.051 131 K CA 1.432 57.657 56.287 -0.102 0.000 0.941 131 K CB -0.519 31.918 32.500 -0.104 0.000 0.719 131 K HN 0.310 nan 8.250 nan 0.000 0.440 132 T N 2.028 116.540 114.554 -0.070 0.000 2.701 132 T HA -0.060 4.279 4.350 -0.018 0.000 0.263 132 T C 2.076 176.731 174.700 -0.074 0.000 1.040 132 T CA 1.120 63.184 62.100 -0.059 0.000 1.147 132 T CB -0.126 68.707 68.868 -0.058 0.000 0.865 132 T HN 0.077 nan 8.240 nan 0.000 0.426 133 L N -1.120 120.050 121.223 -0.088 0.000 2.068 133 L HA 0.057 4.386 4.340 -0.018 0.000 0.204 133 L C 1.697 178.360 176.870 -0.345 0.000 1.076 133 L CA 1.253 55.971 54.840 -0.204 0.000 0.753 133 L CB -0.205 41.732 42.059 -0.203 0.000 0.910 133 L HN 0.275 nan 8.230 nan 0.000 0.439 134 Y N -1.742 118.510 120.300 -0.080 0.000 2.531 134 Y HA 0.263 4.803 4.550 -0.017 0.000 0.249 134 Y C 0.364 176.229 175.900 -0.058 0.000 1.168 134 Y CA -0.727 57.334 58.100 -0.065 0.000 1.226 134 Y CB 0.578 38.974 38.460 -0.106 0.000 1.177 134 Y HN -0.141 nan 8.280 nan 0.000 0.527 135 L N -0.840 120.410 121.223 0.044 0.000 4.179 135 L HA -0.262 4.067 4.340 -0.018 0.000 0.418 135 L C 0.434 177.322 176.870 0.031 0.000 1.168 135 L CA 0.597 55.456 54.840 0.032 0.000 0.972 135 L CB -2.102 39.987 42.059 0.049 0.000 2.005 135 L HN 0.225 nan 8.230 nan 0.000 0.935 136 A N -1.107 121.707 122.820 -0.009 0.000 2.312 136 A HA 0.692 5.001 4.320 -0.018 0.000 0.328 136 A C 0.244 177.702 177.584 -0.212 0.000 1.158 136 A CA -0.583 51.410 52.037 -0.073 0.000 0.821 136 A CB 0.891 19.832 19.000 -0.098 0.000 1.170 136 A HN 0.203 nan 8.150 nan 0.000 0.490 137 D N 0.552 120.758 120.400 -0.323 0.000 2.268 137 D HA 0.560 5.189 4.640 -0.018 0.000 0.249 137 D C -0.765 175.033 176.300 -0.838 0.000 1.008 137 D CA 0.239 53.836 54.000 -0.671 0.000 0.939 137 D CB 1.814 41.961 40.800 -1.088 0.000 1.170 137 D HN 0.391 nan 8.370 nan 0.000 0.468 138 T N 1.375 115.406 114.554 -0.871 0.000 2.864 138 T HA 0.376 4.716 4.350 -0.018 0.000 0.299 138 T C -0.761 173.574 174.700 -0.608 0.000 1.011 138 T CA -0.520 61.218 62.100 -0.602 0.000 0.975 138 T CB 0.095 68.805 68.868 -0.263 0.000 0.962 138 T HN 0.072 nan 8.240 nan 0.000 0.448 139 F N 3.724 123.436 119.950 -0.397 0.000 2.426 139 F HA 0.463 4.979 4.527 -0.018 0.000 0.348 139 F C -2.319 173.383 175.800 -0.163 0.000 1.124 139 F CA -3.048 54.770 58.000 -0.304 0.000 1.008 139 F CB 1.171 39.918 39.000 -0.423 0.000 1.139 139 F HN 0.244 nan 8.300 nan 0.000 0.452 140 P HA 0.202 nan 4.420 nan 0.000 0.268 140 P C -0.617 176.671 177.300 -0.021 0.000 1.204 140 P CA 0.242 63.354 63.100 0.020 0.000 0.768 140 P CB 0.756 32.463 31.700 0.012 0.000 0.842 141 T N 1.986 116.462 114.554 -0.131 0.000 2.916 141 T HA 0.284 4.623 4.350 -0.018 0.000 0.305 141 T C -0.447 174.016 174.700 -0.395 0.000 1.119 141 T CA -0.534 61.384 62.100 -0.303 0.000 1.008 141 T CB 0.907 69.456 68.868 -0.531 0.000 1.129 141 T HN 0.157 nan 8.240 nan 0.000 0.480 142 N N 1.774 120.294 118.700 -0.300 0.000 2.868 142 N HA 0.203 4.932 4.740 -0.018 0.000 0.252 142 N C 0.080 175.500 175.510 -0.149 0.000 1.130 142 N CA -0.885 52.062 53.050 -0.172 0.000 1.026 142 N CB -0.494 37.942 38.487 -0.086 0.000 1.335 142 N HN 0.428 nan 8.380 nan 0.000 0.516 143 F N 1.282 121.244 119.950 0.021 0.000 2.641 143 F HA 0.023 4.540 4.527 -0.016 0.000 0.298 143 F C 2.498 178.302 175.800 0.007 0.000 1.146 143 F CA 0.755 58.763 58.000 0.014 0.000 1.464 143 F CB -0.526 38.486 39.000 0.020 0.000 1.101 143 F HN 0.556 nan 8.300 nan 0.000 0.585 144 R N 0.071 120.660 120.500 0.149 0.000 2.189 144 R HA -0.101 4.228 4.340 -0.018 0.000 0.223 144 R C 0.675 177.017 176.300 0.068 0.000 1.092 144 R CA 1.621 57.777 56.100 0.093 0.000 0.989 144 R CB -1.190 29.145 30.300 0.057 0.000 0.876 144 R HN 0.266 nan 8.270 nan 0.000 0.457 145 D N -0.886 119.550 120.400 0.060 0.000 2.514 145 D HA 0.178 4.807 4.640 -0.018 0.000 0.267 145 D C 1.067 177.401 176.300 0.057 0.000 1.165 145 D CA 0.348 54.371 54.000 0.038 0.000 0.958 145 D CB 0.651 41.457 40.800 0.009 0.000 0.992 145 D HN 0.102 nan 8.370 nan 0.000 0.506 146 S N 2.642 118.386 115.700 0.073 0.000 2.380 146 S HA -0.314 4.146 4.470 -0.018 0.000 0.229 146 S C 2.017 176.649 174.600 0.053 0.000 1.050 146 S CA 1.930 60.180 58.200 0.083 0.000 1.100 146 S CB -0.238 62.994 63.200 0.052 0.000 0.984 146 S HN 0.529 nan 8.310 nan 0.000 0.434 147 A N 0.312 123.148 122.820 0.027 0.000 2.070 147 A HA 0.181 4.490 4.320 -0.018 0.000 0.220 147 A C 2.273 179.857 177.584 0.000 0.000 1.159 147 A CA 1.704 53.747 52.037 0.010 0.000 0.656 147 A CB -1.353 17.649 19.000 0.003 0.000 0.800 147 A HN 0.690 nan 8.150 nan 0.000 0.453 148 G N -0.790 108.010 108.800 -0.000 0.000 2.408 148 G HA2 0.145 4.095 3.960 -0.018 0.000 0.215 148 G HA3 0.145 4.095 3.960 -0.018 0.000 0.215 148 G C 1.693 176.573 174.900 -0.034 0.000 1.156 148 G CA 1.039 46.127 45.100 -0.019 0.000 0.793 148 G HN 0.686 nan 8.290 nan 0.000 0.535 149 A N 0.574 123.382 122.820 -0.020 0.000 1.898 149 A HA 0.072 4.381 4.320 -0.018 0.000 0.216 149 A C 2.323 179.877 177.584 -0.049 0.000 1.181 149 A CA 1.771 53.780 52.037 -0.046 0.000 0.620 149 A CB -0.397 18.632 19.000 0.047 0.000 0.819 149 A HN 0.369 nan 8.150 nan 0.000 0.442 150 M N -0.575 119.021 119.600 -0.006 0.000 2.080 150 M HA -0.197 4.272 4.480 -0.018 0.000 0.260 150 M C 2.242 178.509 176.300 -0.054 0.000 1.068 150 M CA 2.350 57.633 55.300 -0.028 0.000 1.109 150 M CB -0.187 32.409 32.600 -0.008 0.000 1.342 150 M HN 0.463 nan 8.290 nan 0.000 0.405 151 K N -0.071 120.304 120.400 -0.041 0.000 2.097 151 K HA -0.265 4.044 4.320 -0.018 0.000 0.206 151 K C 1.973 178.545 176.600 -0.047 0.000 1.049 151 K CA 1.968 58.231 56.287 -0.040 0.000 0.933 151 K CB -0.161 32.320 32.500 -0.031 0.000 0.717 151 K HN 0.598 nan 8.250 nan 0.000 0.442 152 Q N 0.744 120.507 119.800 -0.063 0.000 2.079 152 Q HA -0.139 4.190 4.340 -0.018 0.000 0.200 152 Q C 1.879 177.848 176.000 -0.051 0.000 0.974 152 Q CA 1.777 57.547 55.803 -0.055 0.000 0.840 152 Q CB -0.255 28.440 28.738 -0.072 0.000 0.898 152 Q HN 0.384 nan 8.270 nan 0.000 0.430 153 I N 0.986 121.441 120.570 -0.191 0.000 2.179 153 I HA -0.243 3.916 4.170 -0.018 0.000 0.242 153 I C 1.776 177.867 176.117 -0.043 0.000 1.088 153 I CA 1.075 62.191 61.300 -0.307 0.000 1.357 153 I CB -0.489 37.185 38.000 -0.543 0.000 1.051 153 I HN 0.325 nan 8.210 nan 0.000 0.409 154 N N 0.872 119.540 118.700 -0.052 0.000 2.166 154 N HA -0.170 4.559 4.740 -0.018 0.000 0.186 154 N C 1.428 176.924 175.510 -0.023 0.000 1.019 154 N CA 1.308 54.340 53.050 -0.030 0.000 0.856 154 N CB -0.430 38.035 38.487 -0.037 0.000 0.993 154 N HN 0.317 nan 8.380 nan 0.000 0.426 155 D N -0.390 120.006 120.400 -0.007 0.000 2.144 155 D HA -0.131 4.498 4.640 -0.018 0.000 0.200 155 D C 1.792 178.102 176.300 0.016 0.000 0.978 155 D CA 0.539 54.534 54.000 -0.009 0.000 0.833 155 D CB -0.354 40.443 40.800 -0.005 0.000 0.961 155 D HN 0.306 nan 8.370 nan 0.000 0.470 156 Y N 1.521 121.806 120.300 -0.025 0.000 2.145 156 Y HA -0.220 4.319 4.550 -0.019 0.000 0.286 156 Y C 2.124 178.002 175.900 -0.036 0.000 1.145 156 Y CA 1.214 59.332 58.100 0.031 0.000 1.148 156 Y CB -0.376 38.211 38.460 0.212 0.000 0.981 156 Y HN -0.200 nan 8.280 nan 0.000 0.507 157 V N 0.472 120.301 119.914 -0.142 0.000 2.427 157 V HA -0.263 3.847 4.120 -0.018 0.000 0.248 157 V C 2.685 178.552 176.094 -0.379 0.000 1.051 157 V CA 1.603 63.642 62.300 -0.436 0.000 1.048 157 V CB -1.534 30.120 31.823 -0.281 0.000 0.666 157 V HN 0.565 nan 8.190 nan 0.000 0.456 158 A N 0.059 122.749 122.820 -0.218 0.000 1.933 158 A HA -0.275 4.034 4.320 -0.018 0.000 0.218 158 A C 2.341 179.806 177.584 -0.198 0.000 1.175 158 A CA 2.276 54.204 52.037 -0.181 0.000 0.628 158 A CB -0.418 18.510 19.000 -0.119 0.000 0.814 158 A HN 0.568 nan 8.150 nan 0.000 0.444 159 K N -1.096 119.176 120.400 -0.213 0.000 2.031 159 K HA -0.125 4.184 4.320 -0.018 0.000 0.205 159 K C 1.962 178.423 176.600 -0.231 0.000 1.049 159 K CA 1.176 57.349 56.287 -0.191 0.000 0.939 159 K CB -0.171 32.236 32.500 -0.155 0.000 0.717 159 K HN 0.294 nan 8.250 nan 0.000 0.438 160 Q N 0.217 119.790 119.800 -0.378 0.000 2.291 160 Q HA -0.087 4.242 4.340 -0.018 0.000 0.206 160 Q C 1.439 177.328 176.000 -0.184 0.000 0.976 160 Q CA 1.715 57.327 55.803 -0.318 0.000 0.875 160 Q CB -0.016 28.416 28.738 -0.510 0.000 0.927 160 Q HN 0.564 nan 8.270 nan 0.000 0.450 161 T N -3.455 110.963 114.554 -0.226 0.000 3.176 161 T HA 0.250 4.590 4.350 -0.018 0.000 0.263 161 T C 0.190 174.784 174.700 -0.178 0.000 1.021 161 T CA -0.402 61.610 62.100 -0.146 0.000 0.905 161 T CB 0.080 68.855 68.868 -0.155 0.000 1.057 161 T HN 0.211 nan 8.240 nan 0.000 0.558 162 K N 0.867 121.174 120.400 -0.155 0.000 3.016 162 K HA -0.202 4.107 4.320 -0.018 0.000 0.262 162 K C 1.145 177.634 176.600 -0.185 0.000 1.043 162 K CA 0.443 56.641 56.287 -0.148 0.000 0.761 162 K CB -2.139 30.281 32.500 -0.133 0.000 1.230 162 K HN 0.910 nan 8.250 nan 0.000 0.485 163 G N -0.255 108.432 108.800 -0.188 0.000 2.179 163 G HA2 -0.338 3.612 3.960 -0.018 0.000 0.260 163 G HA3 -0.338 3.612 3.960 -0.018 0.000 0.260 163 G C 0.793 175.551 174.900 -0.238 0.000 0.977 163 G CA 0.532 45.521 45.100 -0.185 0.000 0.641 163 G HN 0.209 nan 8.290 nan 0.000 0.533 164 K N -0.191 120.003 120.400 -0.343 0.000 2.296 164 K HA 0.278 4.587 4.320 -0.018 0.000 0.200 164 K C 1.099 177.566 176.600 -0.222 0.000 1.048 164 K CA 0.667 56.666 56.287 -0.480 0.000 0.966 164 K CB 0.271 32.092 32.500 -1.132 0.000 0.754 164 K HN 0.592 nan 8.250 nan 0.000 0.466 165 I N 0.754 121.239 120.570 -0.141 0.000 2.493 165 I HA 0.069 4.228 4.170 -0.018 0.000 0.279 165 I C 0.583 176.649 176.117 -0.084 0.000 1.045 165 I CA -0.260 61.007 61.300 -0.056 0.000 1.106 165 I CB 2.268 40.270 38.000 0.003 0.000 1.216 165 I HN -0.344 nan 8.210 nan 0.000 0.459 166 V N 3.903 123.776 119.914 -0.068 0.000 3.644 166 V HA 0.212 4.321 4.120 -0.018 0.000 0.267 166 V C 0.144 176.209 176.094 -0.048 0.000 1.277 166 V CA 1.196 63.455 62.300 -0.068 0.000 1.096 166 V CB 0.216 31.998 31.823 -0.068 0.000 0.828 166 V HN 0.717 nan 8.190 nan 0.000 0.446 167 D N -0.691 119.689 120.400 -0.033 0.000 2.997 167 D HA 0.145 4.774 4.640 -0.018 0.000 0.362 167 D C 0.836 177.128 176.300 -0.013 0.000 1.298 167 D CA -0.201 53.784 54.000 -0.025 0.000 0.756 167 D CB 0.668 41.454 40.800 -0.024 0.000 1.216 167 D HN 0.165 nan 8.370 nan 0.000 0.496 168 L N 0.507 121.727 121.223 -0.005 0.000 1.978 168 L HA -0.150 4.179 4.340 -0.018 0.000 0.235 168 L C 0.127 177.003 176.870 0.011 0.000 1.094 168 L CA 1.948 56.800 54.840 0.019 0.000 0.814 168 L CB -0.406 41.681 42.059 0.046 0.000 0.911 168 L HN 0.188 nan 8.230 nan 0.000 0.442 169 L N -0.294 120.931 121.223 0.004 0.000 2.416 169 L HA 0.278 4.608 4.340 -0.018 0.000 0.272 169 L C 1.358 178.221 176.870 -0.011 0.000 1.161 169 L CA 1.281 56.119 54.840 -0.003 0.000 0.845 169 L CB 0.097 42.149 42.059 -0.012 0.000 1.119 169 L HN 0.294 nan 8.230 nan 0.000 0.464 170 K N 2.390 122.782 120.400 -0.013 0.000 2.391 170 K HA 0.254 4.563 4.320 -0.018 0.000 0.197 170 K C 0.331 176.922 176.600 -0.015 0.000 1.087 170 K CA 0.677 56.955 56.287 -0.016 0.000 1.012 170 K CB -0.251 32.238 32.500 -0.019 0.000 0.925 170 K HN 0.851 nan 8.250 nan 0.000 0.547 171 N N -0.859 117.832 118.700 -0.015 0.000 2.710 171 N HA 0.537 5.266 4.740 -0.018 0.000 0.257 171 N C -1.977 173.523 175.510 -0.017 0.000 1.327 171 N CA -0.670 52.371 53.050 -0.015 0.000 0.861 171 N CB 1.622 40.099 38.487 -0.017 0.000 1.532 171 N HN 0.080 nan 8.380 nan 0.000 0.499 172 L N 0.756 121.970 121.223 -0.014 0.000 2.493 172 L HA 0.454 4.784 4.340 -0.018 0.000 0.265 172 L C -1.203 175.651 176.870 -0.026 0.000 0.954 172 L CA -0.236 54.591 54.840 -0.022 0.000 0.844 172 L CB 1.830 43.898 42.059 0.014 0.000 1.302 172 L HN 0.803 nan 8.230 nan 0.000 0.405 173 D N 2.398 122.761 120.400 -0.062 0.000 2.329 173 D HA 0.570 5.200 4.640 -0.018 0.000 0.246 173 D C 1.053 177.326 176.300 -0.046 0.000 1.111 173 D CA 0.822 54.791 54.000 -0.053 0.000 0.941 173 D CB 2.052 42.811 40.800 -0.068 0.000 1.169 173 D HN 0.782 nan 8.370 nan 0.000 0.441 174 S N 1.673 117.365 115.700 -0.013 0.000 2.461 174 S HA -0.072 4.387 4.470 -0.018 0.000 0.228 174 S C 1.715 176.322 174.600 0.012 0.000 1.005 174 S CA 1.243 59.456 58.200 0.022 0.000 0.942 174 S CB -0.894 62.322 63.200 0.027 0.000 0.776 174 S HN 0.635 nan 8.310 nan 0.000 0.514 175 N N 0.955 119.640 118.700 -0.025 0.000 2.383 175 N HA 0.655 5.384 4.740 -0.018 0.000 0.192 175 N C 0.683 176.142 175.510 -0.085 0.000 1.141 175 N CA 0.484 53.518 53.050 -0.027 0.000 0.851 175 N CB -0.368 38.109 38.487 -0.017 0.000 0.976 175 N HN 0.788 nan 8.380 nan 0.000 0.465 176 A N 0.214 122.909 122.820 -0.209 0.000 2.531 176 A HA 0.437 4.747 4.320 -0.018 0.000 0.236 176 A C 1.723 179.083 177.584 -0.374 0.000 1.062 176 A CA 0.597 52.382 52.037 -0.419 0.000 0.760 176 A CB 0.280 18.776 19.000 -0.840 0.000 0.995 176 A HN 1.126 nan 8.150 nan 0.000 0.501 177 V N 0.749 120.532 119.914 -0.219 0.000 3.013 177 V HA 0.446 4.555 4.120 -0.018 0.000 0.238 177 V C 0.623 176.787 176.094 0.117 0.000 1.161 177 V CA 0.999 63.300 62.300 0.002 0.000 1.170 177 V CB -0.319 31.517 31.823 0.022 0.000 0.917 177 V HN 1.576 nan 8.190 nan 0.000 0.478 178 V N 1.270 121.203 119.914 0.032 0.000 2.711 178 V HA 0.645 4.754 4.120 -0.018 0.000 0.304 178 V C -1.674 174.495 176.094 0.126 0.000 1.097 178 V CA -0.612 61.792 62.300 0.175 0.000 0.906 178 V CB 2.019 33.923 31.823 0.135 0.000 1.015 178 V HN 0.254 nan 8.190 nan 0.000 0.427 179 I N 7.096 127.836 120.570 0.283 0.000 2.378 179 I HA 0.506 4.665 4.170 -0.018 0.000 0.291 179 I C -0.064 176.266 176.117 0.355 0.000 0.992 179 I CA -0.425 61.029 61.300 0.257 0.000 1.154 179 I CB 1.604 39.767 38.000 0.271 0.000 1.315 179 I HN 0.856 nan 8.210 nan 0.000 0.448 180 M N 8.383 128.140 119.600 0.262 0.000 2.227 180 M HA 0.593 5.062 4.480 -0.018 0.000 0.335 180 M C -1.179 175.283 176.300 0.270 0.000 1.053 180 M CA -0.627 54.825 55.300 0.254 0.000 0.973 180 M CB 1.461 34.169 32.600 0.180 0.000 1.623 180 M HN 0.401 nan 8.290 nan 0.000 0.434 181 V N 2.475 122.588 119.914 0.333 0.000 2.604 181 V HA 0.744 4.853 4.120 -0.018 0.000 0.305 181 V C -1.365 174.907 176.094 0.297 0.000 1.043 181 V CA -0.611 61.898 62.300 0.348 0.000 0.888 181 V CB 1.789 33.887 31.823 0.458 0.000 0.995 181 V HN 0.962 nan 8.190 nan 0.000 0.429 182 N N 3.016 121.858 118.700 0.237 0.000 2.346 182 N HA 0.728 5.457 4.740 -0.018 0.000 0.289 182 N C -1.326 174.222 175.510 0.063 0.000 1.027 182 N CA -0.556 52.530 53.050 0.059 0.000 0.864 182 N CB 1.905 40.493 38.487 0.169 0.000 1.370 182 N HN 0.917 nan 8.380 nan 0.000 0.481 183 Y N 1.880 122.255 120.300 0.125 0.000 2.553 183 Y HA 0.761 5.300 4.550 -0.018 0.000 0.347 183 Y C -1.169 174.802 175.900 0.119 0.000 1.019 183 Y CA -1.323 56.826 58.100 0.082 0.000 1.032 183 Y CB 1.254 39.778 38.460 0.107 0.000 1.284 183 Y HN 0.422 nan 8.280 nan 0.000 0.466 184 I N 3.391 124.142 120.570 0.302 0.000 2.685 184 I HA 0.517 4.676 4.170 -0.018 0.000 0.289 184 I C -2.369 174.015 176.117 0.446 0.000 1.292 184 I CA -0.804 60.698 61.300 0.337 0.000 1.050 184 I CB 1.630 39.770 38.000 0.233 0.000 1.301 184 I HN 0.768 nan 8.210 nan 0.000 0.425 185 F N 8.854 128.974 119.950 0.283 0.000 2.507 185 F HA 0.719 5.235 4.527 -0.018 0.000 0.325 185 F C -2.045 173.885 175.800 0.216 0.000 1.116 185 F CA -0.737 57.388 58.000 0.208 0.000 0.930 185 F CB 1.633 40.687 39.000 0.091 0.000 1.146 185 F HN 0.365 nan 8.300 nan 0.000 0.447 186 F N 6.877 126.257 119.950 -0.950 0.000 2.561 186 F HA 0.589 5.106 4.527 -0.016 0.000 0.313 186 F C -1.683 173.482 175.800 -1.058 0.000 1.126 186 F CA -0.606 56.927 58.000 -0.777 0.000 0.918 186 F CB 1.450 40.255 39.000 -0.324 0.000 1.199 186 F HN 0.533 nan 8.300 nan 0.000 0.444 187 K N 5.202 124.734 120.400 -1.447 0.000 2.619 187 K HA 0.764 5.073 4.320 -0.018 0.000 0.251 187 K C -2.054 173.816 176.600 -1.217 0.000 0.987 187 K CA -0.476 55.169 56.287 -1.070 0.000 0.844 187 K CB 1.527 33.725 32.500 -0.504 0.000 1.237 187 K HN 0.850 nan 8.250 nan 0.000 0.447 188 A N 1.900 123.987 122.820 -1.222 0.000 2.469 188 A HA 0.621 4.930 4.320 -0.018 0.000 0.299 188 A C -1.058 176.295 177.584 -0.386 0.000 1.098 188 A CA -0.782 50.760 52.037 -0.825 0.000 0.737 188 A CB 1.506 19.941 19.000 -0.942 0.000 1.312 188 A HN 0.396 nan 8.150 nan 0.000 0.414 189 K N 0.267 120.606 120.400 -0.102 0.000 2.218 189 K HA 0.223 4.532 4.320 -0.018 0.000 0.276 189 K C -0.697 176.020 176.600 0.194 0.000 1.022 189 K CA -0.256 56.039 56.287 0.014 0.000 0.946 189 K CB 0.669 33.216 32.500 0.078 0.000 1.000 189 K HN 0.626 nan 8.250 nan 0.000 0.468 190 W N 0.898 122.377 121.300 0.299 0.000 2.079 190 W HA 0.065 4.714 4.660 -0.019 0.000 0.354 190 W C 2.021 178.626 176.519 0.144 0.000 1.302 190 W CA -0.013 57.467 57.345 0.225 0.000 1.281 190 W CB 0.347 29.878 29.460 0.119 0.000 1.165 190 W HN 0.831 nan 8.180 nan 0.000 0.603 191 E N -0.104 120.334 120.200 0.396 0.000 2.072 191 E HA -0.111 4.228 4.350 -0.018 0.000 0.191 191 E C -0.011 176.674 176.600 0.140 0.000 0.985 191 E CA 1.014 57.545 56.400 0.218 0.000 0.801 191 E CB 0.139 29.937 29.700 0.163 0.000 0.750 191 E HN 0.288 nan 8.360 nan 0.000 0.452 192 T N 0.570 115.183 114.554 0.098 0.000 2.807 192 T HA 0.322 4.662 4.350 -0.018 0.000 0.279 192 T C -0.544 174.114 174.700 -0.069 0.000 0.993 192 T CA -0.722 61.361 62.100 -0.027 0.000 0.970 192 T CB 1.894 70.675 68.868 -0.145 0.000 0.950 192 T HN -0.058 nan 8.240 nan 0.000 0.441 193 S N 1.542 117.225 115.700 -0.029 0.000 2.624 193 S HA 0.520 4.979 4.470 -0.018 0.000 0.263 193 S C -0.559 173.935 174.600 -0.175 0.000 1.287 193 S CA -0.496 57.719 58.200 0.025 0.000 0.990 193 S CB 0.157 63.415 63.200 0.096 0.000 0.950 193 S HN 0.499 nan 8.310 nan 0.000 0.561 194 F N 1.996 121.990 119.950 0.073 0.000 2.402 194 F HA 0.305 4.822 4.527 -0.018 0.000 0.355 194 F C 0.715 176.534 175.800 0.032 0.000 1.123 194 F CA -0.929 57.078 58.000 0.012 0.000 1.021 194 F CB 0.761 39.763 39.000 0.003 0.000 1.160 194 F HN 0.411 nan 8.300 nan 0.000 0.451 195 N N 2.015 120.813 118.700 0.164 0.000 2.411 195 N HA -0.072 4.657 4.740 -0.018 0.000 0.261 195 N C 1.386 176.968 175.510 0.120 0.000 1.248 195 N CA 0.774 53.889 53.050 0.109 0.000 0.885 195 N CB 0.554 39.078 38.487 0.063 0.000 1.062 195 N HN 0.914 nan 8.380 nan 0.000 0.471 196 H N 2.355 121.485 119.070 0.100 0.000 2.541 196 H HA -0.054 4.491 4.556 -0.018 0.000 0.289 196 H C 1.842 177.209 175.328 0.066 0.000 1.054 196 H CA 2.032 58.130 56.048 0.083 0.000 1.250 196 H CB -0.317 29.486 29.762 0.068 0.000 1.369 196 H HN 0.760 nan 8.280 nan 0.000 0.578 197 K N 0.629 121.066 120.400 0.062 0.000 2.426 197 K HA 0.333 4.642 4.320 -0.018 0.000 0.193 197 K C 2.321 178.957 176.600 0.059 0.000 1.028 197 K CA 0.738 57.055 56.287 0.050 0.000 1.047 197 K CB -0.519 32.004 32.500 0.039 0.000 0.821 197 K HN 0.731 nan 8.250 nan 0.000 0.513 198 G N -0.014 108.830 108.800 0.074 0.000 3.126 198 G HA2 0.155 4.104 3.960 -0.018 0.000 0.224 198 G HA3 0.155 4.104 3.960 -0.018 0.000 0.224 198 G C 0.299 175.253 174.900 0.090 0.000 1.142 198 G CA 0.324 45.476 45.100 0.085 0.000 0.759 198 G HN 0.377 nan 8.290 nan 0.000 0.550 199 T N 1.745 116.342 114.554 0.072 0.000 2.728 199 T HA 0.524 4.863 4.350 -0.018 0.000 0.296 199 T C -0.322 174.411 174.700 0.056 0.000 0.940 199 T CA -0.001 62.134 62.100 0.057 0.000 1.013 199 T CB 1.363 70.256 68.868 0.042 0.000 0.912 199 T HN 0.219 nan 8.240 nan 0.000 0.484 200 Q N 1.709 121.545 119.800 0.061 0.000 2.421 200 Q HA 0.324 4.653 4.340 -0.018 0.000 0.280 200 Q C -0.685 175.340 176.000 0.042 0.000 1.085 200 Q CA -1.157 54.675 55.803 0.048 0.000 0.807 200 Q CB 2.128 30.896 28.738 0.050 0.000 1.405 200 Q HN 0.481 nan 8.270 nan 0.000 0.419 201 E N 1.827 122.045 120.200 0.030 0.000 2.415 201 E HA 0.031 4.370 4.350 -0.018 0.000 0.262 201 E C -0.665 175.949 176.600 0.023 0.000 1.038 201 E CA 0.459 56.875 56.400 0.026 0.000 0.921 201 E CB 0.979 30.688 29.700 0.016 0.000 0.950 201 E HN 0.463 nan 8.360 nan 0.000 0.438 202 Q N 1.237 121.054 119.800 0.027 0.000 2.578 202 Q HA 0.164 4.494 4.340 -0.018 0.000 0.284 202 Q C -1.626 174.389 176.000 0.024 0.000 0.960 202 Q CA -0.750 55.065 55.803 0.019 0.000 0.809 202 Q CB 1.431 30.179 28.738 0.018 0.000 1.462 202 Q HN 0.223 nan 8.270 nan 0.000 0.392 203 D N 1.550 121.944 120.400 -0.009 0.000 2.389 203 D HA 0.304 4.933 4.640 -0.018 0.000 0.247 203 D C -1.267 175.018 176.300 -0.025 0.000 1.128 203 D CA 0.626 54.575 54.000 -0.085 0.000 0.884 203 D CB 0.392 41.074 40.800 -0.197 0.000 1.194 203 D HN 0.303 nan 8.370 nan 0.000 0.441 204 F N 2.608 122.439 119.950 -0.198 0.000 2.507 204 F HA 0.310 4.825 4.527 -0.020 0.000 0.328 204 F C -1.319 174.382 175.800 -0.164 0.000 1.136 204 F CA -0.968 56.992 58.000 -0.066 0.000 0.930 204 F CB 0.790 39.788 39.000 -0.002 0.000 1.166 204 F HN 0.205 nan 8.300 nan 0.000 0.436 205 Y N 6.497 126.577 120.300 -0.367 0.000 2.627 205 Y HA 0.232 4.770 4.550 -0.019 0.000 0.347 205 Y C 1.134 176.975 175.900 -0.098 0.000 1.099 205 Y CA -0.354 57.647 58.100 -0.166 0.000 1.408 205 Y CB 0.444 38.800 38.460 -0.172 0.000 1.247 205 Y HN 0.488 nan 8.280 nan 0.000 0.506 206 V N 1.122 121.181 119.914 0.242 0.000 2.287 206 V HA -0.221 3.888 4.120 -0.018 0.000 0.248 206 V C 1.208 177.407 176.094 0.175 0.000 1.053 206 V CA 2.257 64.730 62.300 0.289 0.000 1.027 206 V CB -0.672 31.283 31.823 0.220 0.000 0.646 206 V HN 0.825 nan 8.190 nan 0.000 0.447 207 T N -4.206 110.439 114.554 0.151 0.000 2.696 207 T HA 0.341 4.680 4.350 -0.018 0.000 0.291 207 T C 0.971 175.763 174.700 0.154 0.000 1.095 207 T CA 0.159 62.331 62.100 0.120 0.000 1.026 207 T CB 1.479 70.401 68.868 0.090 0.000 1.390 207 T HN 0.203 nan 8.240 nan 0.000 0.513 208 S N -0.055 115.708 115.700 0.105 0.000 2.419 208 S HA -0.149 4.310 4.470 -0.018 0.000 0.233 208 S C 1.386 176.078 174.600 0.152 0.000 1.016 208 S CA 1.412 59.676 58.200 0.107 0.000 0.974 208 S CB -0.827 62.395 63.200 0.036 0.000 0.786 208 S HN 0.950 nan 8.310 nan 0.000 0.492 209 E N -0.144 120.123 120.200 0.110 0.000 2.498 209 E HA 0.175 4.514 4.350 -0.018 0.000 0.203 209 E C -0.392 176.251 176.600 0.072 0.000 1.013 209 E CA -0.071 56.382 56.400 0.087 0.000 0.927 209 E CB 0.244 29.978 29.700 0.057 0.000 1.012 209 E HN 0.262 nan 8.360 nan 0.000 0.482 210 T N 1.661 116.263 114.554 0.080 0.000 2.788 210 T HA 0.441 4.780 4.350 -0.018 0.000 0.296 210 T C -0.861 173.854 174.700 0.026 0.000 1.009 210 T CA -0.531 61.600 62.100 0.052 0.000 0.949 210 T CB 1.578 70.484 68.868 0.063 0.000 0.946 210 T HN -0.030 nan 8.240 nan 0.000 0.453 211 V N 4.143 124.031 119.914 -0.043 0.000 2.604 211 V HA 0.800 4.910 4.120 -0.018 0.000 0.305 211 V C -0.147 175.898 176.094 -0.081 0.000 1.043 211 V CA -0.976 61.228 62.300 -0.159 0.000 0.888 211 V CB 1.876 33.481 31.823 -0.364 0.000 0.995 211 V HN 0.766 nan 8.190 nan 0.000 0.429 212 V N 1.563 121.453 119.914 -0.041 0.000 2.876 212 V HA 0.737 4.846 4.120 -0.018 0.000 0.312 212 V C -0.552 175.543 176.094 0.001 0.000 1.085 212 V CA -1.080 61.215 62.300 -0.008 0.000 0.945 212 V CB 2.211 34.042 31.823 0.014 0.000 1.017 212 V HN 0.756 nan 8.190 nan 0.000 0.428 213 R N 2.350 122.845 120.500 -0.008 0.000 2.340 213 R HA 0.720 5.049 4.340 -0.018 0.000 0.300 213 R C -0.286 176.023 176.300 0.016 0.000 1.069 213 R CA -0.109 55.993 56.100 0.003 0.000 0.984 213 R CB 1.270 31.567 30.300 -0.004 0.000 1.003 213 R HN 1.266 nan 8.270 nan 0.000 0.459 214 V N -0.171 119.765 119.914 0.037 0.000 2.971 214 V HA 0.625 4.734 4.120 -0.018 0.000 0.309 214 V C -2.636 173.486 176.094 0.046 0.000 1.130 214 V CA -2.565 59.756 62.300 0.034 0.000 0.964 214 V CB 2.817 34.658 31.823 0.030 0.000 1.029 214 V HN 0.572 nan 8.190 nan 0.000 0.427 215 P HA 0.305 nan 4.420 nan 0.000 0.280 215 P C -0.695 176.632 177.300 0.045 0.000 1.300 215 P CA -0.043 63.081 63.100 0.040 0.000 0.785 215 P CB 0.803 32.522 31.700 0.031 0.000 0.874 216 M N 4.756 124.390 119.600 0.056 0.000 2.084 216 M HA 0.308 4.777 4.480 -0.018 0.000 0.351 216 M C 0.509 176.830 176.300 0.035 0.000 1.240 216 M CA -0.243 55.096 55.300 0.065 0.000 1.083 216 M CB 0.696 33.369 32.600 0.122 0.000 1.593 216 M HN 0.312 nan 8.290 nan 0.000 0.463 217 M N 2.214 121.758 119.600 -0.093 0.000 2.247 217 M HA 0.392 4.861 4.480 -0.018 0.000 0.326 217 M C 0.290 176.501 176.300 -0.149 0.000 1.134 217 M CA -0.172 55.008 55.300 -0.200 0.000 1.136 217 M CB 1.277 33.496 32.600 -0.635 0.000 1.454 217 M HN 0.690 nan 8.290 nan 0.000 0.467 218 S N 1.318 117.004 115.700 -0.023 0.000 2.556 218 S HA 0.829 5.288 4.470 -0.018 0.000 0.271 218 S C -1.024 173.635 174.600 0.098 0.000 1.135 218 S CA -1.102 57.030 58.200 -0.112 0.000 0.858 218 S CB 2.697 65.734 63.200 -0.271 0.000 1.114 218 S HN 0.860 nan 8.310 nan 0.000 0.468 219 R N 0.721 121.219 120.500 -0.002 0.000 2.868 219 R HA 0.231 4.560 4.340 -0.018 0.000 0.262 219 R C -1.783 174.532 176.300 0.024 0.000 1.163 219 R CA -0.111 55.998 56.100 0.016 0.000 1.105 219 R CB 1.504 31.775 30.300 -0.048 0.000 1.270 219 R HN 0.912 nan 8.270 nan 0.000 0.437 220 E N 2.820 122.998 120.200 -0.036 0.000 2.283 220 E HA 0.244 4.584 4.350 -0.018 0.000 0.278 220 E C -1.056 175.475 176.600 -0.114 0.000 1.027 220 E CA -0.086 56.299 56.400 -0.024 0.000 0.843 220 E CB 1.133 30.802 29.700 -0.051 0.000 1.062 220 E HN 0.542 nan 8.360 nan 0.000 0.401 221 D N 1.198 121.473 120.400 -0.209 0.000 2.827 221 D HA 0.145 4.774 4.640 -0.018 0.000 0.336 221 D C -1.771 174.162 176.300 -0.612 0.000 1.374 221 D CA -0.096 53.606 54.000 -0.497 0.000 0.794 221 D CB 0.442 40.790 40.800 -0.753 0.000 1.364 221 D HN 0.342 nan 8.370 nan 0.000 0.464 222 Q N 0.593 120.033 119.800 -0.600 0.000 2.331 222 Q HA 0.608 4.937 4.340 -0.018 0.000 0.257 222 Q C -1.358 174.326 176.000 -0.527 0.000 0.957 222 Q CA -0.185 55.369 55.803 -0.415 0.000 0.923 222 Q CB 0.402 28.979 28.738 -0.268 0.000 1.212 222 Q HN 0.368 nan 8.270 nan 0.000 0.443 223 Y N -0.477 119.763 120.300 -0.100 0.000 2.562 223 Y HA 0.458 4.998 4.550 -0.017 0.000 0.343 223 Y C 0.034 175.881 175.900 -0.090 0.000 1.025 223 Y CA -1.442 56.611 58.100 -0.077 0.000 1.082 223 Y CB 2.054 40.503 38.460 -0.019 0.000 1.264 223 Y HN 0.817 nan 8.280 nan 0.000 0.478 224 H N 1.207 120.295 119.070 0.030 0.000 2.944 224 H HA 0.118 4.663 4.556 -0.018 0.000 0.278 224 H C -1.029 174.277 175.328 -0.037 0.000 1.083 224 H CA 0.352 56.325 56.048 -0.124 0.000 1.479 224 H CB -0.064 29.373 29.762 -0.542 0.000 1.486 224 H HN 0.550 nan 8.280 nan 0.000 0.493 225 Y N 3.686 124.067 120.300 0.134 0.000 2.488 225 Y HA 0.559 5.099 4.550 -0.017 0.000 0.325 225 Y C -1.143 174.953 175.900 0.326 0.000 1.204 225 Y CA -1.363 56.849 58.100 0.185 0.000 1.229 225 Y CB 1.088 39.614 38.460 0.112 0.000 1.274 225 Y HN 0.561 nan 8.280 nan 0.000 0.493 226 L N 4.353 125.159 121.223 -0.695 0.000 2.641 226 L HA 0.629 4.958 4.340 -0.018 0.000 0.261 226 L C -2.105 174.304 176.870 -0.769 0.000 0.926 226 L CA -0.616 53.938 54.840 -0.476 0.000 0.917 226 L CB 1.186 43.066 42.059 -0.298 0.000 1.361 226 L HN 0.864 nan 8.230 nan 0.000 0.417 227 L N 2.021 123.017 121.223 -0.378 0.000 2.280 227 L HA 0.711 5.040 4.340 -0.018 0.000 0.287 227 L C -0.623 176.187 176.870 -0.100 0.000 1.023 227 L CA -0.512 54.211 54.840 -0.196 0.000 0.819 227 L CB 1.346 43.433 42.059 0.047 0.000 1.212 227 L HN 0.651 nan 8.230 nan 0.000 0.420 228 D N 2.107 122.455 120.400 -0.087 0.000 2.454 228 D HA 0.337 4.966 4.640 -0.018 0.000 0.225 228 D C 1.100 177.429 176.300 0.047 0.000 1.081 228 D CA -0.304 53.716 54.000 0.033 0.000 0.864 228 D CB 1.246 42.148 40.800 0.169 0.000 1.040 228 D HN 0.586 nan 8.370 nan 0.000 0.517 229 R N 2.180 122.706 120.500 0.043 0.000 2.153 229 R HA -0.065 4.264 4.340 -0.018 0.000 0.218 229 R C 2.150 178.475 176.300 0.041 0.000 1.072 229 R CA 1.239 57.361 56.100 0.037 0.000 0.990 229 R CB -0.273 30.046 30.300 0.031 0.000 0.889 229 R HN 0.513 nan 8.270 nan 0.000 0.452 230 N N 1.284 120.013 118.700 0.048 0.000 2.013 230 N HA -0.151 4.578 4.740 -0.018 0.000 0.195 230 N C 1.722 177.260 175.510 0.047 0.000 1.051 230 N CA 1.440 54.513 53.050 0.038 0.000 0.851 230 N CB -0.467 38.036 38.487 0.027 0.000 1.044 230 N HN -0.055 nan 8.380 nan 0.000 0.422 231 L N -0.001 121.270 121.223 0.080 0.000 2.341 231 L HA 0.250 4.579 4.340 -0.018 0.000 0.214 231 L C 1.290 178.212 176.870 0.087 0.000 1.115 231 L CA 1.124 56.020 54.840 0.094 0.000 0.820 231 L CB -0.262 41.892 42.059 0.158 0.000 0.944 231 L HN 0.561 nan 8.230 nan 0.000 0.452 232 S N -0.784 114.960 115.700 0.074 0.000 4.051 232 S HA -0.140 4.319 4.470 -0.018 0.000 0.447 232 S C -0.214 174.413 174.600 0.045 0.000 0.867 232 S CA 0.094 58.324 58.200 0.049 0.000 1.246 232 S CB -1.832 61.393 63.200 0.042 0.000 0.825 232 S HN 0.625 nan 8.310 nan 0.000 0.579 233 C N 1.703 121.018 119.300 0.024 0.000 3.284 233 C HA 0.832 5.281 4.460 -0.018 0.000 0.338 233 C C -0.540 174.380 174.990 -0.117 0.000 1.237 233 C CA -1.171 57.839 59.018 -0.015 0.000 1.276 233 C CB 1.469 29.227 27.740 0.030 0.000 1.601 233 C HN 0.805 nan 8.230 nan 0.000 0.494 234 R N 1.288 121.710 120.500 -0.130 0.000 2.393 234 R HA 0.798 5.127 4.340 -0.018 0.000 0.310 234 R C -1.153 175.004 176.300 -0.239 0.000 0.968 234 R CA -0.493 55.470 56.100 -0.227 0.000 0.867 234 R CB 2.001 32.251 30.300 -0.083 0.000 1.124 234 R HN 0.671 nan 8.270 nan 0.000 0.450 235 V N 3.577 123.256 119.914 -0.391 0.000 2.540 235 V HA 0.443 4.552 4.120 -0.018 0.000 0.302 235 V C -0.636 175.448 176.094 -0.017 0.000 1.035 235 V CA -0.789 61.369 62.300 -0.236 0.000 0.873 235 V CB 1.922 33.408 31.823 -0.562 0.000 0.992 235 V HN 0.501 nan 8.190 nan 0.000 0.428 236 V N 3.608 123.602 119.914 0.133 0.000 2.823 236 V HA 0.968 5.078 4.120 -0.018 0.000 0.312 236 V C 0.212 176.310 176.094 0.007 0.000 1.072 236 V CA 0.035 62.405 62.300 0.116 0.000 0.937 236 V CB 2.227 34.158 31.823 0.180 0.000 1.013 236 V HN 0.996 nan 8.190 nan 0.000 0.430 237 G N 3.983 112.697 108.800 -0.143 0.000 2.415 237 G HA2 0.618 4.567 3.960 -0.018 0.000 0.327 237 G HA3 0.618 4.567 3.960 -0.018 0.000 0.327 237 G C -1.415 173.486 174.900 0.001 0.000 1.182 237 G CA -0.470 44.524 45.100 -0.176 0.000 0.924 237 G HN 0.960 nan 8.290 nan 0.000 0.470 238 V N 4.151 124.074 119.914 0.015 0.000 2.447 238 V HA 0.412 4.521 4.120 -0.018 0.000 0.292 238 V C -2.163 173.979 176.094 0.080 0.000 1.021 238 V CA -1.634 60.684 62.300 0.031 0.000 0.850 238 V CB 2.004 33.759 31.823 -0.113 0.000 1.005 238 V HN 0.705 nan 8.190 nan 0.000 0.426 239 P HA 0.296 nan 4.420 nan 0.000 0.279 239 P C -1.314 176.159 177.300 0.288 0.000 1.239 239 P CA -0.204 63.001 63.100 0.176 0.000 0.789 239 P CB 0.966 32.753 31.700 0.145 0.000 0.933 240 Y N -0.327 120.196 120.300 0.371 0.000 2.335 240 Y HA 0.327 4.865 4.550 -0.019 0.000 0.323 240 Y C 1.706 177.746 175.900 0.233 0.000 1.224 240 Y CA 0.061 58.367 58.100 0.342 0.000 1.241 240 Y CB 0.221 38.879 38.460 0.329 0.000 1.235 240 Y HN 0.376 nan 8.280 nan 0.000 0.492 241 Q N 1.835 121.875 119.800 0.399 0.000 2.828 241 Q HA 0.455 4.784 4.340 -0.018 0.000 0.234 241 Q C 0.468 176.555 176.000 0.145 0.000 1.348 241 Q CA 0.610 56.549 55.803 0.226 0.000 0.878 241 Q CB -0.978 27.872 28.738 0.186 0.000 1.721 241 Q HN 1.045 nan 8.270 nan 0.000 0.550 242 G N -0.134 108.740 108.800 0.124 0.000 2.609 242 G HA2 0.075 4.024 3.960 -0.018 0.000 0.082 242 G HA3 0.075 4.024 3.960 -0.018 0.000 0.082 242 G C 0.248 175.170 174.900 0.038 0.000 1.075 242 G CA 0.189 45.283 45.100 -0.010 0.000 1.172 242 G HN 0.522 nan 8.290 nan 0.000 0.532 243 N N 0.061 118.780 118.700 0.031 0.000 2.171 243 N HA 0.501 5.230 4.740 -0.018 0.000 0.212 243 N C 0.446 176.049 175.510 0.154 0.000 1.184 243 N CA 0.488 53.581 53.050 0.071 0.000 0.888 243 N CB 0.664 39.164 38.487 0.021 0.000 1.038 243 N HN 0.694 nan 8.380 nan 0.000 0.517 244 A N 0.137 123.115 122.820 0.264 0.000 2.303 244 A HA 0.646 4.955 4.320 -0.018 0.000 0.317 244 A C -0.524 177.323 177.584 0.438 0.000 1.149 244 A CA -0.052 52.204 52.037 0.365 0.000 0.822 244 A CB 1.167 20.459 19.000 0.487 0.000 1.131 244 A HN 0.137 nan 8.150 nan 0.000 0.493 245 T N 1.257 116.018 114.554 0.344 0.000 2.928 245 T HA 0.591 4.930 4.350 -0.018 0.000 0.296 245 T C -0.217 174.600 174.700 0.194 0.000 1.000 245 T CA 0.069 62.316 62.100 0.245 0.000 0.989 245 T CB 1.472 70.411 68.868 0.119 0.000 1.005 245 T HN 1.146 nan 8.240 nan 0.000 0.442 246 A N 3.963 126.849 122.820 0.110 0.000 2.328 246 A HA 0.770 5.079 4.320 -0.018 0.000 0.284 246 A C -0.379 177.066 177.584 -0.231 0.000 1.160 246 A CA -0.496 51.512 52.037 -0.048 0.000 0.818 246 A CB 0.108 19.071 19.000 -0.061 0.000 1.087 246 A HN 0.820 nan 8.150 nan 0.000 0.504 247 L N 2.446 123.515 121.223 -0.257 0.000 2.333 247 L HA 0.504 4.833 4.340 -0.018 0.000 0.280 247 L C -1.355 175.361 176.870 -0.256 0.000 1.004 247 L CA -0.171 54.574 54.840 -0.159 0.000 0.820 247 L CB 1.374 43.451 42.059 0.030 0.000 1.247 247 L HN 0.668 nan 8.230 nan 0.000 0.416 248 F N 3.615 123.634 119.950 0.114 0.000 2.426 248 F HA 0.480 4.996 4.527 -0.019 0.000 0.348 248 F C -0.008 175.955 175.800 0.273 0.000 1.124 248 F CA -0.683 57.378 58.000 0.102 0.000 1.008 248 F CB 1.711 40.402 39.000 -0.516 0.000 1.139 248 F HN 0.214 nan 8.300 nan 0.000 0.452 249 I N 4.741 125.640 120.570 0.549 0.000 2.312 249 I HA 0.274 4.433 4.170 -0.018 0.000 0.290 249 I C -0.781 175.643 176.117 0.512 0.000 1.008 249 I CA -0.459 61.065 61.300 0.374 0.000 1.226 249 I CB 1.368 39.520 38.000 0.253 0.000 1.371 249 I HN 0.376 nan 8.210 nan 0.000 0.468 250 L N 10.063 131.468 121.223 0.303 0.000 2.277 250 L HA 0.675 5.004 4.340 -0.018 0.000 0.284 250 L C -2.503 174.403 176.870 0.059 0.000 1.028 250 L CA -1.719 53.201 54.840 0.133 0.000 0.835 250 L CB 0.858 42.735 42.059 -0.304 0.000 1.215 250 L HN 0.307 nan 8.230 nan 0.000 0.425 251 P HA 0.259 nan 4.420 nan 0.000 0.274 251 P C -0.619 176.697 177.300 0.027 0.000 1.237 251 P CA -0.254 62.894 63.100 0.079 0.000 0.793 251 P CB 0.765 32.534 31.700 0.116 0.000 0.977 252 S N 0.906 116.618 115.700 0.020 0.000 2.589 252 S HA 0.043 4.502 4.470 -0.018 0.000 0.265 252 S C 0.096 174.694 174.600 -0.003 0.000 1.342 252 S CA -0.539 57.660 58.200 -0.002 0.000 1.005 252 S CB -0.118 63.085 63.200 0.004 0.000 0.909 252 S HN 0.397 nan 8.310 nan 0.000 0.555 253 E N 0.959 121.144 120.200 -0.026 0.000 2.820 253 E HA 0.014 4.353 4.350 -0.018 0.000 0.251 253 E C 1.266 177.861 176.600 -0.009 0.000 0.944 253 E CA 0.926 57.307 56.400 -0.032 0.000 0.955 253 E CB -0.315 29.355 29.700 -0.051 0.000 0.904 253 E HN 1.046 nan 8.360 nan 0.000 0.513 254 G N 3.795 112.596 108.800 0.002 0.000 2.168 254 G HA2 -0.317 3.633 3.960 -0.018 0.000 0.263 254 G HA3 -0.317 3.633 3.960 -0.018 0.000 0.263 254 G C 0.728 175.649 174.900 0.034 0.000 0.977 254 G CA 0.398 45.508 45.100 0.018 0.000 0.659 254 G HN 0.387 nan 8.290 nan 0.000 0.533 255 K N -0.540 119.885 120.400 0.042 0.000 2.410 255 K HA 0.360 4.669 4.320 -0.018 0.000 0.200 255 K C 1.991 178.641 176.600 0.084 0.000 1.023 255 K CA 0.342 56.663 56.287 0.057 0.000 1.149 255 K CB 0.004 32.536 32.500 0.053 0.000 0.859 255 K HN 0.465 nan 8.250 nan 0.000 0.514 256 M N 1.462 121.118 119.600 0.094 0.000 2.073 256 M HA -0.256 4.213 4.480 -0.018 0.000 0.258 256 M C 2.118 178.498 176.300 0.132 0.000 1.070 256 M CA 1.963 57.339 55.300 0.127 0.000 1.103 256 M CB -0.360 32.319 32.600 0.132 0.000 1.321 256 M HN 0.103 nan 8.290 nan 0.000 0.405 257 Q N -0.170 119.695 119.800 0.108 0.000 2.096 257 Q HA -0.248 4.081 4.340 -0.018 0.000 0.204 257 Q C 2.148 178.208 176.000 0.099 0.000 0.982 257 Q CA 2.505 58.371 55.803 0.104 0.000 0.850 257 Q CB -0.438 28.346 28.738 0.078 0.000 0.901 257 Q HN 0.794 nan 8.270 nan 0.000 0.422 258 Q N -0.948 118.903 119.800 0.084 0.000 2.020 258 Q HA -0.157 4.172 4.340 -0.018 0.000 0.202 258 Q C 1.930 177.982 176.000 0.088 0.000 0.982 258 Q CA 2.085 57.932 55.803 0.073 0.000 0.838 258 Q CB -0.098 28.677 28.738 0.062 0.000 0.899 258 Q HN 0.342 nan 8.270 nan 0.000 0.423 259 V N 1.406 121.388 119.914 0.114 0.000 2.287 259 V HA -0.298 3.811 4.120 -0.018 0.000 0.248 259 V C 2.116 178.293 176.094 0.137 0.000 1.053 259 V CA 2.384 64.772 62.300 0.147 0.000 1.027 259 V CB -0.729 31.208 31.823 0.190 0.000 0.646 259 V HN 0.451 nan 8.190 nan 0.000 0.447 260 E N 0.235 120.532 120.200 0.160 0.000 2.085 260 E HA -0.239 4.100 4.350 -0.018 0.000 0.194 260 E C 2.044 178.731 176.600 0.145 0.000 0.994 260 E CA 1.405 57.922 56.400 0.194 0.000 0.801 260 E CB -0.279 29.600 29.700 0.298 0.000 0.743 260 E HN 0.559 nan 8.360 nan 0.000 0.453 261 N N 0.026 118.790 118.700 0.106 0.000 2.381 261 N HA -0.081 4.649 4.740 -0.018 0.000 0.182 261 N C 1.601 177.122 175.510 0.019 0.000 1.025 261 N CA 1.111 54.201 53.050 0.067 0.000 0.888 261 N CB -0.180 38.339 38.487 0.054 0.000 0.965 261 N HN 0.218 nan 8.380 nan 0.000 0.438 262 G N -0.314 108.487 108.800 0.001 0.000 2.939 262 G HA2 0.141 4.090 3.960 -0.018 0.000 0.210 262 G HA3 0.141 4.090 3.960 -0.018 0.000 0.210 262 G C 0.457 175.238 174.900 -0.197 0.000 1.160 262 G CA -0.324 44.731 45.100 -0.074 0.000 0.770 262 G HN 0.139 nan 8.290 nan 0.000 0.543 263 L N 2.393 123.507 121.223 -0.182 0.000 2.499 263 L HA 0.369 4.698 4.340 -0.018 0.000 0.273 263 L C 0.351 176.816 176.870 -0.676 0.000 1.195 263 L CA 0.152 54.733 54.840 -0.431 0.000 0.882 263 L CB 0.721 42.641 42.059 -0.230 0.000 1.133 263 L HN 0.303 nan 8.230 nan 0.000 0.483 264 S N 0.423 115.441 115.700 -1.136 0.000 2.614 264 S HA 0.143 4.602 4.470 -0.018 0.000 0.280 264 S C 0.186 174.372 174.600 -0.690 0.000 1.111 264 S CA -0.985 56.713 58.200 -0.837 0.000 0.847 264 S CB 1.089 64.096 63.200 -0.321 0.000 1.079 264 S HN 0.667 nan 8.310 nan 0.000 0.452 265 E N 1.266 121.433 120.200 -0.056 0.000 2.130 265 E HA -0.236 4.104 4.350 -0.018 0.000 0.196 265 E C 2.470 179.016 176.600 -0.090 0.000 0.998 265 E CA 1.947 58.427 56.400 0.133 0.000 0.806 265 E CB -0.586 29.255 29.700 0.235 0.000 0.738 265 E HN 0.831 nan 8.360 nan 0.000 0.459 266 K N 1.053 121.370 120.400 -0.139 0.000 1.991 266 K HA -0.197 4.112 4.320 -0.018 0.000 0.212 266 K C 2.234 178.654 176.600 -0.299 0.000 1.049 266 K CA 2.134 58.319 56.287 -0.170 0.000 0.932 266 K CB -1.714 30.696 32.500 -0.150 0.000 0.717 266 K HN 0.095 nan 8.250 nan 0.000 0.441 267 T N 1.012 115.293 114.554 -0.456 0.000 2.699 267 T HA -0.153 4.186 4.350 -0.018 0.000 0.268 267 T C 1.937 176.095 174.700 -0.903 0.000 1.036 267 T CA 1.492 63.136 62.100 -0.760 0.000 1.147 267 T CB -0.345 67.933 68.868 -0.982 0.000 0.862 267 T HN 0.321 nan 8.240 nan 0.000 0.446 268 L N 1.443 122.288 121.223 -0.631 0.000 2.017 268 L HA -0.116 4.214 4.340 -0.018 0.000 0.208 268 L C 2.714 179.455 176.870 -0.215 0.000 1.073 268 L CA 1.681 56.292 54.840 -0.382 0.000 0.745 268 L CB -0.761 41.226 42.059 -0.120 0.000 0.894 268 L HN -0.005 nan 8.230 nan 0.000 0.432 269 R N -0.336 120.063 120.500 -0.170 0.000 2.094 269 R HA -0.222 4.108 4.340 -0.018 0.000 0.239 269 R C 2.312 178.537 176.300 -0.125 0.000 1.137 269 R CA 1.664 57.702 56.100 -0.103 0.000 0.943 269 R CB -1.222 29.030 30.300 -0.081 0.000 0.850 269 R HN 0.558 nan 8.270 nan 0.000 0.433 270 K N -0.874 119.408 120.400 -0.196 0.000 2.020 270 K HA -0.220 4.089 4.320 -0.018 0.000 0.212 270 K C 2.154 178.693 176.600 -0.102 0.000 1.050 270 K CA 2.160 58.347 56.287 -0.167 0.000 0.929 270 K CB -0.255 32.098 32.500 -0.244 0.000 0.714 270 K HN 0.362 nan 8.250 nan 0.000 0.443 271 W N 0.152 121.262 121.300 -0.316 0.000 2.342 271 W HA -0.128 4.521 4.660 -0.018 0.000 0.297 271 W C 2.234 178.305 176.519 -0.746 0.000 1.213 271 W CA 1.284 58.300 57.345 -0.548 0.000 1.251 271 W CB -1.176 27.937 29.460 -0.578 0.000 1.136 271 W HN 0.121 nan 8.180 nan 0.000 0.526 272 L N 0.630 121.736 121.223 -0.196 0.000 2.749 272 L HA 0.147 4.476 4.340 -0.018 0.000 0.245 272 L C 1.967 178.830 176.870 -0.011 0.000 1.156 272 L CA 2.519 57.312 54.840 -0.079 0.000 0.890 272 L CB -2.242 39.834 42.059 0.029 0.000 1.036 272 L HN 0.198 nan 8.230 nan 0.000 0.441 273 K N -1.739 118.621 120.400 -0.066 0.000 2.412 273 K HA 0.306 4.615 4.320 -0.018 0.000 0.201 273 K C 1.793 178.413 176.600 0.032 0.000 1.275 273 K CA 0.834 57.128 56.287 0.011 0.000 0.910 273 K CB -0.452 32.047 32.500 -0.002 0.000 1.346 273 K HN 0.505 nan 8.250 nan 0.000 0.490 274 M N 0.423 120.000 119.600 -0.037 0.000 2.435 274 M HA 0.165 4.634 4.480 -0.018 0.000 0.262 274 M C -0.056 176.306 176.300 0.103 0.000 1.065 274 M CA 0.609 55.910 55.300 0.001 0.000 1.076 274 M CB -0.511 32.064 32.600 -0.042 0.000 1.403 274 M HN 0.272 nan 8.290 nan 0.000 0.454 275 F N 1.715 121.724 119.950 0.098 0.000 2.571 275 F HA -0.058 4.458 4.527 -0.018 0.000 0.390 275 F C 0.457 176.400 175.800 0.239 0.000 1.043 275 F CA -0.241 57.859 58.000 0.166 0.000 1.164 275 F CB 0.152 39.250 39.000 0.163 0.000 1.049 275 F HN -0.151 nan 8.300 nan 0.000 0.552 276 K N 3.356 124.005 120.400 0.415 0.000 2.435 276 K HA 0.394 4.703 4.320 -0.018 0.000 0.251 276 K C -0.521 176.125 176.600 0.077 0.000 0.954 276 K CA -1.379 55.034 56.287 0.211 0.000 0.820 276 K CB 2.265 34.867 32.500 0.171 0.000 1.292 276 K HN 0.318 nan 8.250 nan 0.000 0.436 277 K N 1.927 122.281 120.400 -0.076 0.000 2.298 277 K HA 0.309 4.618 4.320 -0.018 0.000 0.280 277 K C -0.051 176.527 176.600 -0.037 0.000 1.032 277 K CA -0.088 56.109 56.287 -0.151 0.000 0.958 277 K CB 0.886 33.269 32.500 -0.196 0.000 0.978 277 K HN 0.502 nan 8.250 nan 0.000 0.472 278 R N 2.163 122.650 120.500 -0.021 0.000 2.584 278 R HA 0.069 4.399 4.340 -0.018 0.000 0.276 278 R C -1.154 175.118 176.300 -0.047 0.000 1.046 278 R CA -0.725 55.356 56.100 -0.032 0.000 0.906 278 R CB 1.427 31.697 30.300 -0.049 0.000 1.215 278 R HN 0.403 nan 8.270 nan 0.000 0.449 279 Q N 3.081 122.838 119.800 -0.071 0.000 2.289 279 Q HA 0.316 4.645 4.340 -0.018 0.000 0.273 279 Q C -1.511 174.468 176.000 -0.035 0.000 1.029 279 Q CA 0.381 56.141 55.803 -0.071 0.000 0.896 279 Q CB 0.687 29.382 28.738 -0.072 0.000 1.182 279 Q HN 0.414 nan 8.270 nan 0.000 0.385 280 L N 3.020 124.273 121.223 0.050 0.000 2.445 280 L HA 0.396 4.725 4.340 -0.018 0.000 0.262 280 L C -0.970 175.983 176.870 0.138 0.000 0.974 280 L CA -0.437 54.466 54.840 0.105 0.000 0.822 280 L CB 2.347 44.526 42.059 0.201 0.000 1.339 280 L HN 0.702 nan 8.230 nan 0.000 0.409 281 E N 2.427 122.651 120.200 0.040 0.000 2.042 281 E HA 0.418 4.758 4.350 -0.018 0.000 0.260 281 E C -1.213 175.296 176.600 -0.152 0.000 0.975 281 E CA -0.611 55.763 56.400 -0.044 0.000 0.799 281 E CB 0.735 30.428 29.700 -0.012 0.000 1.131 281 E HN 0.467 nan 8.360 nan 0.000 0.423 282 L N 4.977 126.094 121.223 -0.176 0.000 2.349 282 L HA 0.310 4.639 4.340 -0.018 0.000 0.275 282 L C -1.562 175.060 176.870 -0.413 0.000 1.115 282 L CA -0.075 54.622 54.840 -0.238 0.000 0.820 282 L CB 0.340 42.170 42.059 -0.380 0.000 1.135 282 L HN 0.461 nan 8.230 nan 0.000 0.445 283 Y N 6.038 126.334 120.300 -0.006 0.000 2.447 283 Y HA 0.560 5.099 4.550 -0.019 0.000 0.325 283 Y C -0.655 175.221 175.900 -0.040 0.000 0.976 283 Y CA -0.565 57.521 58.100 -0.023 0.000 1.280 283 Y CB 1.497 39.950 38.460 -0.012 0.000 1.104 283 Y HN 0.483 nan 8.280 nan 0.000 0.486 284 L N 6.739 127.891 121.223 -0.118 0.000 2.365 284 L HA 0.758 5.087 4.340 -0.018 0.000 0.273 284 L C -2.834 173.914 176.870 -0.203 0.000 1.000 284 L CA -2.634 52.019 54.840 -0.312 0.000 0.819 284 L CB 2.013 43.684 42.059 -0.646 0.000 1.284 284 L HN 0.217 nan 8.230 nan 0.000 0.418 285 P HA 0.191 nan 4.420 nan 0.000 0.275 285 P C -1.644 175.798 177.300 0.237 0.000 1.228 285 P CA -0.433 62.728 63.100 0.101 0.000 0.786 285 P CB 0.528 32.304 31.700 0.126 0.000 0.927 286 K N 4.070 124.557 120.400 0.144 0.000 2.258 286 K HA 0.519 4.828 4.320 -0.018 0.000 0.284 286 K C -0.923 175.807 176.600 0.216 0.000 1.051 286 K CA -0.280 56.062 56.287 0.091 0.000 0.923 286 K CB -0.056 32.457 32.500 0.023 0.000 1.046 286 K HN 0.506 nan 8.250 nan 0.000 0.474 287 F N -0.847 119.095 119.950 -0.014 0.000 2.807 287 F HA 0.435 4.951 4.527 -0.018 0.000 0.316 287 F C -1.605 174.165 175.800 -0.049 0.000 1.162 287 F CA -1.052 56.925 58.000 -0.039 0.000 0.910 287 F CB 1.125 40.091 39.000 -0.057 0.000 1.314 287 F HN 0.226 nan 8.300 nan 0.000 0.454 288 S N 1.803 117.517 115.700 0.024 0.000 2.513 288 S HA 0.802 5.261 4.470 -0.018 0.000 0.299 288 S C -1.315 173.306 174.600 0.036 0.000 1.087 288 S CA -0.691 57.459 58.200 -0.083 0.000 1.012 288 S CB 1.611 64.784 63.200 -0.045 0.000 1.044 288 S HN 0.780 nan 8.310 nan 0.000 0.485 289 I N 2.748 123.247 120.570 -0.118 0.000 2.686 289 I HA 0.564 4.723 4.170 -0.018 0.000 0.295 289 I C -1.491 174.456 176.117 -0.284 0.000 1.114 289 I CA -0.518 60.673 61.300 -0.181 0.000 1.038 289 I CB 1.779 39.626 38.000 -0.256 0.000 1.238 289 I HN 0.843 nan 8.210 nan 0.000 0.420 290 E N 5.255 125.405 120.200 -0.085 0.000 2.390 290 E HA 0.729 5.068 4.350 -0.018 0.000 0.277 290 E C -1.531 175.189 176.600 0.200 0.000 0.939 290 E CA -1.058 55.393 56.400 0.085 0.000 0.769 290 E CB 2.266 32.006 29.700 0.067 0.000 1.251 290 E HN 0.686 nan 8.360 nan 0.000 0.450 291 G N 0.269 109.262 108.800 0.322 0.000 2.617 291 G HA2 0.500 4.449 3.960 -0.018 0.000 0.306 291 G HA3 0.500 4.449 3.960 -0.018 0.000 0.306 291 G C -1.442 173.389 174.900 -0.114 0.000 1.360 291 G CA -0.669 44.549 45.100 0.197 0.000 0.983 291 G HN 0.328 nan 8.290 nan 0.000 0.496 292 S N 0.711 115.993 115.700 -0.696 0.000 2.647 292 S HA 0.790 5.249 4.470 -0.018 0.000 0.300 292 S C -1.490 172.634 174.600 -0.793 0.000 1.129 292 S CA -0.579 57.345 58.200 -0.460 0.000 1.029 292 S CB 0.475 63.546 63.200 -0.214 0.000 1.007 292 S HN 0.456 nan 8.310 nan 0.000 0.484 293 Y N 1.572 121.943 120.300 0.119 0.000 2.553 293 Y HA 0.497 5.039 4.550 -0.014 0.000 0.347 293 Y C -0.232 175.695 175.900 0.044 0.000 1.019 293 Y CA -1.071 57.066 58.100 0.062 0.000 1.032 293 Y CB 1.376 39.855 38.460 0.032 0.000 1.284 293 Y HN 0.357 nan 8.280 nan 0.000 0.466 294 Q N 2.826 122.710 119.800 0.140 0.000 2.509 294 Q HA 0.320 4.649 4.340 -0.018 0.000 0.236 294 Q C 0.435 176.424 176.000 -0.018 0.000 1.073 294 Q CA -0.078 55.746 55.803 0.036 0.000 0.867 294 Q CB 1.267 29.993 28.738 -0.020 0.000 1.181 294 Q HN 0.863 nan 8.270 nan 0.000 0.526 295 L N 1.239 122.458 121.223 -0.007 0.000 2.549 295 L HA -0.166 4.163 4.340 -0.018 0.000 0.229 295 L C 2.044 178.763 176.870 -0.252 0.000 1.158 295 L CA 0.794 55.592 54.840 -0.069 0.000 0.842 295 L CB -0.164 41.906 42.059 0.019 0.000 0.952 295 L HN 0.502 nan 8.230 nan 0.000 0.452 296 E N 0.983 120.894 120.200 -0.481 0.000 2.511 296 E HA -0.166 4.173 4.350 -0.018 0.000 0.196 296 E C 1.051 177.283 176.600 -0.613 0.000 1.066 296 E CA 0.697 56.412 56.400 -1.140 0.000 0.871 296 E CB 0.036 29.057 29.700 -1.132 0.000 0.863 296 E HN 0.494 nan 8.360 nan 0.000 0.520 297 K N 0.276 120.490 120.400 -0.311 0.000 2.358 297 K HA 0.163 4.473 4.320 -0.018 0.000 0.200 297 K C 1.416 177.941 176.600 -0.125 0.000 1.030 297 K CA 0.292 56.471 56.287 -0.179 0.000 1.097 297 K CB 1.411 33.840 32.500 -0.119 0.000 0.862 297 K HN 0.011 nan 8.250 nan 0.000 0.534 298 V N -0.279 119.557 119.914 -0.131 0.000 3.251 298 V HA 0.092 4.202 4.120 -0.018 0.000 0.239 298 V C 1.324 177.381 176.094 -0.062 0.000 1.332 298 V CA 0.154 62.390 62.300 -0.106 0.000 1.224 298 V CB 0.192 31.923 31.823 -0.154 0.000 1.004 298 V HN 0.162 nan 8.190 nan 0.000 0.464 299 L N 0.898 122.110 121.223 -0.019 0.000 2.079 299 L HA -0.072 4.257 4.340 -0.018 0.000 0.210 299 L C -0.305 176.640 176.870 0.125 0.000 1.081 299 L CA 2.036 56.929 54.840 0.089 0.000 0.752 299 L CB -1.678 40.520 42.059 0.232 0.000 0.896 299 L HN 0.368 nan 8.230 nan 0.000 0.433 300 P HA -0.169 nan 4.420 nan 0.000 0.218 300 P C 1.779 179.118 177.300 0.065 0.000 1.148 300 P CA 1.701 64.879 63.100 0.129 0.000 0.822 300 P CB -0.028 31.744 31.700 0.119 0.000 0.784 301 S N -1.167 114.551 115.700 0.030 0.000 2.481 301 S HA -0.040 4.419 4.470 -0.018 0.000 0.231 301 S C 1.519 176.130 174.600 0.019 0.000 0.996 301 S CA 0.802 59.009 58.200 0.012 0.000 0.942 301 S CB -1.269 61.922 63.200 -0.014 0.000 0.768 301 S HN 0.118 nan 8.310 nan 0.000 0.520 302 L N 0.890 122.132 121.223 0.032 0.000 2.653 302 L HA 0.388 4.717 4.340 -0.018 0.000 0.231 302 L C 1.696 178.606 176.870 0.068 0.000 1.153 302 L CA 0.297 55.165 54.840 0.047 0.000 0.933 302 L CB -0.424 41.668 42.059 0.055 0.000 1.175 302 L HN 0.593 nan 8.230 nan 0.000 0.473 303 G N 0.893 109.729 108.800 0.060 0.000 2.176 303 G HA2 -0.254 3.696 3.960 -0.018 0.000 0.232 303 G HA3 -0.254 3.696 3.960 -0.018 0.000 0.232 303 G C 0.161 175.093 174.900 0.053 0.000 0.986 303 G CA -0.385 44.747 45.100 0.053 0.000 0.643 303 G HN 0.283 nan 8.290 nan 0.000 0.522 304 I N 2.489 123.105 120.570 0.078 0.000 2.388 304 I HA 0.413 4.572 4.170 -0.018 0.000 0.281 304 I C 1.187 177.371 176.117 0.113 0.000 1.046 304 I CA 0.220 61.554 61.300 0.057 0.000 1.187 304 I CB 1.426 39.465 38.000 0.064 0.000 1.351 304 I HN 0.221 nan 8.210 nan 0.000 0.472 305 S N 1.804 117.540 115.700 0.060 0.000 2.727 305 S HA 0.064 4.523 4.470 -0.018 0.000 0.249 305 S C 1.291 175.919 174.600 0.047 0.000 1.079 305 S CA -0.195 58.086 58.200 0.135 0.000 0.912 305 S CB -0.044 63.226 63.200 0.116 0.000 0.861 305 S HN 0.479 nan 8.310 nan 0.000 0.484 306 N N 2.335 121.017 118.700 -0.029 0.000 2.149 306 N HA -0.019 4.710 4.740 -0.018 0.000 0.188 306 N C 1.602 177.029 175.510 -0.138 0.000 1.019 306 N CA 1.224 54.250 53.050 -0.039 0.000 0.857 306 N CB -0.693 37.776 38.487 -0.030 0.000 0.997 306 N HN 0.319 nan 8.380 nan 0.000 0.426 307 V N -0.285 119.430 119.914 -0.332 0.000 2.867 307 V HA -0.150 3.960 4.120 -0.018 0.000 0.260 307 V C 0.555 176.371 176.094 -0.465 0.000 1.099 307 V CA 1.430 63.448 62.300 -0.470 0.000 1.122 307 V CB -0.481 30.938 31.823 -0.674 0.000 0.708 307 V HN 0.188 nan 8.190 nan 0.000 0.490 308 F N 0.276 120.223 119.950 -0.004 0.000 2.695 308 F HA 0.265 4.780 4.527 -0.020 0.000 0.303 308 F C 1.363 177.165 175.800 0.003 0.000 1.091 308 F CA 0.269 58.267 58.000 -0.003 0.000 1.300 308 F CB -0.769 38.230 39.000 -0.001 0.000 1.071 308 F HN 0.219 nan 8.300 nan 0.000 0.578 309 T N -3.378 111.249 114.554 0.122 0.000 2.912 309 T HA 0.247 4.586 4.350 -0.018 0.000 0.280 309 T C 1.346 176.090 174.700 0.074 0.000 0.989 309 T CA -0.388 61.774 62.100 0.103 0.000 0.995 309 T CB 1.549 70.480 68.868 0.105 0.000 1.077 309 T HN -0.048 nan 8.240 nan 0.000 0.531 310 S N -0.474 115.275 115.700 0.081 0.000 2.474 310 S HA -0.082 4.377 4.470 -0.018 0.000 0.235 310 S C 1.367 176.021 174.600 0.090 0.000 0.997 310 S CA 0.852 59.094 58.200 0.070 0.000 0.949 310 S CB -0.635 62.604 63.200 0.066 0.000 0.766 310 S HN 0.903 nan 8.310 nan 0.000 0.517 311 H N 1.707 120.776 119.070 -0.002 0.000 2.536 311 H HA 0.582 5.126 4.556 -0.019 0.000 0.276 311 H C 0.637 175.949 175.328 -0.027 0.000 1.019 311 H CA -0.293 55.748 56.048 -0.013 0.000 1.159 311 H CB -0.608 29.148 29.762 -0.010 0.000 1.373 311 H HN 0.314 nan 8.280 nan 0.000 0.584 312 A N 0.217 122.986 122.820 -0.084 0.000 2.520 312 A HA 0.121 4.430 4.320 -0.018 0.000 0.235 312 A C -0.021 177.443 177.584 -0.200 0.000 1.065 312 A CA 0.229 52.181 52.037 -0.142 0.000 0.764 312 A CB 0.049 18.988 19.000 -0.102 0.000 1.002 312 A HN 0.531 nan 8.150 nan 0.000 0.502 313 D N 2.195 122.473 120.400 -0.203 0.000 2.472 313 D HA 0.427 5.056 4.640 -0.018 0.000 0.234 313 D C -0.501 175.702 176.300 -0.160 0.000 1.088 313 D CA -0.063 53.825 54.000 -0.187 0.000 0.882 313 D CB 0.305 40.994 40.800 -0.186 0.000 1.037 313 D HN 0.379 nan 8.370 nan 0.000 0.520 314 L N 2.882 124.013 121.223 -0.154 0.000 3.209 314 L HA 0.101 4.430 4.340 -0.018 0.000 0.279 314 L C 1.759 178.521 176.870 -0.180 0.000 1.301 314 L CA -0.173 54.556 54.840 -0.185 0.000 1.004 314 L CB 0.428 42.376 42.059 -0.186 0.000 1.402 314 L HN 0.247 nan 8.230 nan 0.000 0.577 315 S N -1.527 114.089 115.700 -0.140 0.000 2.507 315 S HA -0.087 4.372 4.470 -0.018 0.000 0.235 315 S C 1.862 176.390 174.600 -0.120 0.000 0.988 315 S CA 0.888 59.022 58.200 -0.110 0.000 0.944 315 S CB -0.194 62.956 63.200 -0.084 0.000 0.762 315 S HN 0.504 nan 8.310 nan 0.000 0.526 316 G N 1.230 109.933 108.800 -0.161 0.000 2.572 316 G HA2 0.183 4.132 3.960 -0.018 0.000 0.216 316 G HA3 0.183 4.132 3.960 -0.018 0.000 0.216 316 G C 1.265 176.015 174.900 -0.250 0.000 1.133 316 G CA 0.400 45.410 45.100 -0.150 0.000 0.791 316 G HN 0.586 nan 8.290 nan 0.000 0.538 317 I N -0.691 119.633 120.570 -0.410 0.000 2.731 317 I HA 0.168 4.327 4.170 -0.018 0.000 0.260 317 I C 1.051 177.037 176.117 -0.219 0.000 1.138 317 I CA 0.428 61.386 61.300 -0.571 0.000 1.461 317 I CB 0.423 37.958 38.000 -0.775 0.000 1.128 317 I HN 0.185 nan 8.210 nan 0.000 0.438 318 S N 0.314 115.930 115.700 -0.140 0.000 2.588 318 S HA 0.200 4.659 4.470 -0.018 0.000 0.269 318 S C -0.438 174.152 174.600 -0.017 0.000 1.157 318 S CA -0.668 57.506 58.200 -0.043 0.000 0.824 318 S CB 1.138 64.331 63.200 -0.012 0.000 1.126 318 S HN 0.296 nan 8.310 nan 0.000 0.464 319 N N 0.961 119.673 118.700 0.019 0.000 2.280 319 N HA 0.126 4.856 4.740 -0.018 0.000 0.192 319 N C 0.073 175.598 175.510 0.025 0.000 1.109 319 N CA 0.033 53.088 53.050 0.009 0.000 0.855 319 N CB -0.458 38.032 38.487 0.005 0.000 0.974 319 N HN 0.654 nan 8.380 nan 0.000 0.482 320 H N 0.884 119.936 119.070 -0.029 0.000 2.764 320 H HA 0.267 4.812 4.556 -0.019 0.000 0.341 320 H C 0.465 175.778 175.328 -0.025 0.000 1.072 320 H CA -0.025 56.012 56.048 -0.019 0.000 1.444 320 H CB 0.673 30.430 29.762 -0.009 0.000 1.458 320 H HN 0.296 nan 8.280 nan 0.000 0.572 321 S N 3.100 118.671 115.700 -0.214 0.000 2.681 321 S HA 0.136 4.595 4.470 -0.018 0.000 0.270 321 S C 0.313 174.931 174.600 0.030 0.000 1.209 321 S CA -0.233 57.916 58.200 -0.085 0.000 0.988 321 S CB 0.492 63.621 63.200 -0.119 0.000 1.006 321 S HN 1.045 nan 8.310 nan 0.000 0.558 322 N N -0.138 118.579 118.700 0.028 0.000 2.721 322 N HA -0.169 4.561 4.740 -0.018 0.000 0.249 322 N C -0.443 175.121 175.510 0.090 0.000 1.072 322 N CA 0.778 53.863 53.050 0.059 0.000 0.710 322 N CB -1.562 36.963 38.487 0.062 0.000 0.993 322 N HN 0.784 nan 8.380 nan 0.000 0.547 323 I N -2.194 118.419 120.570 0.071 0.000 2.603 323 I HA 0.607 4.766 4.170 -0.018 0.000 0.300 323 I C -0.026 176.096 176.117 0.008 0.000 1.017 323 I CA -0.736 60.596 61.300 0.052 0.000 1.098 323 I CB 2.032 40.062 38.000 0.049 0.000 1.279 323 I HN -0.044 nan 8.210 nan 0.000 0.437 324 Q N 3.792 123.598 119.800 0.011 0.000 2.738 324 Q HA 0.349 4.678 4.340 -0.018 0.000 0.301 324 Q C -1.742 174.280 176.000 0.036 0.000 0.901 324 Q CA -0.896 54.908 55.803 0.001 0.000 0.756 324 Q CB 1.812 30.565 28.738 0.024 0.000 1.463 324 Q HN 0.552 nan 8.270 nan 0.000 0.432 325 V N 2.603 122.553 119.914 0.060 0.000 2.415 325 V HA 0.078 4.187 4.120 -0.018 0.000 0.267 325 V C 1.096 177.323 176.094 0.223 0.000 1.042 325 V CA 0.619 63.011 62.300 0.154 0.000 1.000 325 V CB 0.531 32.484 31.823 0.217 0.000 1.015 325 V HN 0.866 nan 8.190 nan 0.000 0.478 326 S N 3.721 119.478 115.700 0.095 0.000 2.387 326 S HA 0.046 4.505 4.470 -0.018 0.000 0.226 326 S C 0.579 175.185 174.600 0.010 0.000 1.026 326 S CA 0.716 58.930 58.200 0.023 0.000 0.972 326 S CB 0.104 63.249 63.200 -0.092 0.000 0.814 326 S HN 0.842 nan 8.310 nan 0.000 0.477 327 E N -0.350 119.873 120.200 0.037 0.000 2.335 327 E HA 0.405 4.744 4.350 -0.018 0.000 0.280 327 E C -1.531 175.128 176.600 0.099 0.000 0.918 327 E CA -0.119 56.293 56.400 0.019 0.000 0.765 327 E CB 2.072 31.765 29.700 -0.011 0.000 1.218 327 E HN 0.078 nan 8.360 nan 0.000 0.425 328 M N 4.303 123.956 119.600 0.088 0.000 1.987 328 M HA 0.328 4.797 4.480 -0.018 0.000 0.298 328 M C -1.849 174.533 176.300 0.136 0.000 0.892 328 M CA -0.588 54.806 55.300 0.157 0.000 0.885 328 M CB 0.852 33.594 32.600 0.236 0.000 1.469 328 M HN 0.196 nan 8.290 nan 0.000 0.389 329 V N 3.143 123.153 119.914 0.161 0.000 2.567 329 V HA 0.402 4.511 4.120 -0.018 0.000 0.289 329 V C -0.731 175.522 176.094 0.264 0.000 1.049 329 V CA -0.477 61.930 62.300 0.179 0.000 0.969 329 V CB 1.526 33.432 31.823 0.139 0.000 0.995 329 V HN 0.774 nan 8.190 nan 0.000 0.471 330 H N 3.354 122.534 119.070 0.183 0.000 2.744 330 H HA 0.604 5.150 4.556 -0.016 0.000 0.339 330 H C -0.774 174.709 175.328 0.259 0.000 1.004 330 H CA -0.639 55.544 56.048 0.224 0.000 1.257 330 H CB 1.340 31.242 29.762 0.234 0.000 1.552 330 H HN 0.619 nan 8.280 nan 0.000 0.522 331 K N 4.205 124.470 120.400 -0.224 0.000 2.507 331 K HA 0.754 5.064 4.320 -0.018 0.000 0.252 331 K C -1.738 174.820 176.600 -0.069 0.000 0.943 331 K CA -0.801 55.439 56.287 -0.079 0.000 0.808 331 K CB 1.301 33.836 32.500 0.058 0.000 1.142 331 K HN 0.626 nan 8.250 nan 0.000 0.426 332 A N 3.457 126.351 122.820 0.123 0.000 2.331 332 A HA 0.686 4.995 4.320 -0.018 0.000 0.320 332 A C -1.198 176.670 177.584 0.473 0.000 1.138 332 A CA -0.651 51.612 52.037 0.378 0.000 0.790 332 A CB 1.318 20.640 19.000 0.536 0.000 1.206 332 A HN 0.421 nan 8.150 nan 0.000 0.470 333 V N 2.453 122.596 119.914 0.381 0.000 2.709 333 V HA 0.679 4.788 4.120 -0.018 0.000 0.308 333 V C -0.654 175.395 176.094 -0.075 0.000 1.062 333 V CA -0.516 61.902 62.300 0.196 0.000 0.901 333 V CB 1.782 33.788 31.823 0.305 0.000 1.003 333 V HN 0.724 nan 8.190 nan 0.000 0.425 334 V N 3.601 123.336 119.914 -0.297 0.000 2.851 334 V HA 0.485 4.594 4.120 -0.018 0.000 0.307 334 V C -0.773 175.073 176.094 -0.414 0.000 1.129 334 V CA -0.649 61.359 62.300 -0.487 0.000 0.932 334 V CB 2.382 33.864 31.823 -0.569 0.000 1.024 334 V HN 0.981 nan 8.190 nan 0.000 0.426 335 E N 2.873 122.835 120.200 -0.397 0.000 2.199 335 E HA 0.735 5.075 4.350 -0.018 0.000 0.269 335 E C -1.493 174.900 176.600 -0.345 0.000 0.899 335 E CA -0.747 55.463 56.400 -0.316 0.000 0.772 335 E CB 2.934 32.540 29.700 -0.157 0.000 1.155 335 E HN 0.365 nan 8.360 nan 0.000 0.408 336 V N 3.230 122.880 119.914 -0.440 0.000 2.531 336 V HA 0.320 4.429 4.120 -0.018 0.000 0.301 336 V C -0.668 175.336 176.094 -0.150 0.000 1.034 336 V CA -0.556 61.562 62.300 -0.303 0.000 0.865 336 V CB 1.558 33.096 31.823 -0.475 0.000 0.995 336 V HN 0.829 nan 8.190 nan 0.000 0.424 337 D N 2.409 122.835 120.400 0.044 0.000 2.812 337 D HA 0.341 4.970 4.640 -0.018 0.000 0.318 337 D C 0.543 177.060 176.300 0.361 0.000 1.234 337 D CA -0.633 53.435 54.000 0.114 0.000 0.989 337 D CB 1.055 41.880 40.800 0.042 0.000 1.442 337 D HN 0.174 nan 8.370 nan 0.000 0.537 338 E N 0.055 120.429 120.200 0.291 0.000 2.077 338 E HA 0.037 4.376 4.350 -0.018 0.000 0.193 338 E C 0.230 177.164 176.600 0.557 0.000 0.989 338 E CA 1.001 57.684 56.400 0.472 0.000 0.800 338 E CB -0.334 29.541 29.700 0.293 0.000 0.746 338 E HN 0.381 nan 8.360 nan 0.000 0.452 339 S N 0.524 116.415 115.700 0.318 0.000 3.116 339 S HA 0.211 4.670 4.470 -0.018 0.000 0.367 339 S C 0.299 175.079 174.600 0.300 0.000 1.202 339 S CA 0.503 58.843 58.200 0.232 0.000 1.018 339 S CB 0.102 63.366 63.200 0.106 0.000 0.726 339 S HN 0.396 nan 8.310 nan 0.000 0.506 340 G N 1.173 110.125 108.800 0.254 0.000 2.766 340 G HA2 0.677 4.627 3.960 -0.018 0.000 0.288 340 G HA3 0.677 4.627 3.960 -0.018 0.000 0.288 340 G C 0.607 175.603 174.900 0.159 0.000 1.408 340 G CA -0.067 45.194 45.100 0.268 0.000 0.852 340 G HN 0.597 nan 8.290 nan 0.000 0.487 341 T N -1.317 113.326 114.554 0.148 0.000 2.698 341 T HA 0.489 4.828 4.350 -0.018 0.000 0.260 341 T C 1.441 176.183 174.700 0.069 0.000 1.044 341 T CA 2.687 64.846 62.100 0.098 0.000 1.149 341 T CB -0.449 68.475 68.868 0.094 0.000 0.864 341 T HN 1.180 nan 8.240 nan 0.000 0.419 342 R N 0.068 120.603 120.500 0.057 0.000 2.778 342 R HA 0.884 5.213 4.340 -0.018 0.000 0.277 342 R C -0.036 176.273 176.300 0.015 0.000 0.977 342 R CA -0.288 55.829 56.100 0.029 0.000 0.950 342 R CB 0.413 30.721 30.300 0.014 0.000 1.165 342 R HN 0.926 nan 8.270 nan 0.000 0.474 343 A N 0.788 123.612 122.820 0.006 0.000 2.351 343 A HA 0.636 4.946 4.320 -0.018 0.000 0.257 343 A C 0.882 178.443 177.584 -0.037 0.000 1.087 343 A CA 0.106 52.138 52.037 -0.008 0.000 0.798 343 A CB 0.221 19.221 19.000 0.001 0.000 1.033 343 A HN 2.141 nan 8.150 nan 0.000 0.488 344 A N 1.534 124.318 122.820 -0.060 0.000 2.507 344 A HA 0.467 4.776 4.320 -0.018 0.000 0.281 344 A C 1.086 178.630 177.584 -0.067 0.000 1.154 344 A CA 0.432 52.417 52.037 -0.085 0.000 0.828 344 A CB -1.229 17.711 19.000 -0.101 0.000 1.069 344 A HN 1.910 nan 8.150 nan 0.000 0.522 345 A N 2.817 125.598 122.820 -0.066 0.000 2.238 345 A HA 0.732 5.041 4.320 -0.018 0.000 0.276 345 A C 0.984 178.528 177.584 -0.067 0.000 1.464 345 A CA 0.738 52.742 52.037 -0.056 0.000 0.835 345 A CB -0.120 18.848 19.000 -0.052 0.000 1.277 345 A HN 2.424 nan 8.150 nan 0.000 0.534 346 A N -4.360 118.420 122.820 -0.065 0.000 4.812 346 A HA 0.695 5.004 4.320 -0.018 0.000 0.246 346 A C 0.436 177.971 177.584 -0.082 0.000 0.986 346 A CA 0.781 52.773 52.037 -0.075 0.000 0.616 346 A CB -0.516 18.441 19.000 -0.071 0.000 1.826 346 A HN 1.896 nan 8.150 nan 0.000 0.887 347 T N -0.215 114.283 114.554 -0.093 0.000 3.266 347 T HA 0.494 4.833 4.350 -0.018 0.000 0.278 347 T C 0.895 175.505 174.700 -0.149 0.000 1.010 347 T CA 0.728 62.758 62.100 -0.118 0.000 0.909 347 T CB -0.627 68.176 68.868 -0.108 0.000 1.122 347 T HN 1.627 nan 8.240 nan 0.000 0.536 348 G N 0.741 109.466 108.800 -0.126 0.000 3.263 348 G HA2 0.462 4.411 3.960 -0.018 0.000 0.246 348 G HA3 0.462 4.411 3.960 -0.018 0.000 0.246 348 G C 0.810 175.591 174.900 -0.198 0.000 0.982 348 G CA 0.859 45.878 45.100 -0.136 0.000 1.897 348 G HN 0.798 nan 8.290 nan 0.000 0.624 349 T N -2.248 112.129 114.554 -0.296 0.000 3.524 349 T HA 0.431 4.771 4.350 -0.018 0.000 0.300 349 T C 1.071 175.373 174.700 -0.663 0.000 0.872 349 T CA 0.374 62.190 62.100 -0.473 0.000 0.888 349 T CB -0.753 67.992 68.868 -0.206 0.000 1.216 349 T HN 1.002 nan 8.240 nan 0.000 0.724 350 I N 1.716 122.035 120.570 -0.419 0.000 2.948 350 I HA 0.599 4.758 4.170 -0.018 0.000 0.284 350 I C -0.212 175.705 176.117 -0.334 0.000 1.181 350 I CA 0.103 61.234 61.300 -0.282 0.000 1.372 350 I CB -1.880 36.016 38.000 -0.173 0.000 1.443 350 I HN 0.298 nan 8.210 nan 0.000 0.554 351 F N 4.488 124.423 119.950 -0.025 0.000 2.436 351 F HA 0.795 5.311 4.527 -0.018 0.000 0.340 351 F C 0.525 176.308 175.800 -0.028 0.000 1.113 351 F CA -0.439 57.553 58.000 -0.013 0.000 1.022 351 F CB 2.146 41.147 39.000 0.002 0.000 1.128 351 F HN 0.692 nan 8.300 nan 0.000 0.466 352 T N 3.337 117.996 114.554 0.175 0.000 3.230 352 T HA 0.198 4.538 4.350 -0.018 0.000 0.390 352 T C 0.074 174.778 174.700 0.006 0.000 1.761 352 T CA -0.610 61.495 62.100 0.009 0.000 1.129 352 T CB 0.064 68.849 68.868 -0.138 0.000 1.583 352 T HN 0.381 nan 8.240 nan 0.000 0.480 353 F N 2.342 122.322 119.950 0.050 0.000 2.512 353 F HA 0.517 5.034 4.527 -0.018 0.000 0.296 353 F C 1.031 176.846 175.800 0.026 0.000 1.110 353 F CA -0.484 57.537 58.000 0.035 0.000 1.446 353 F CB -0.325 38.689 39.000 0.023 0.000 1.092 353 F HN 0.320 nan 8.300 nan 0.000 0.554 354 R N 0.914 121.004 120.500 -0.683 0.000 2.827 354 R HA 0.101 4.431 4.340 -0.018 0.000 0.269 354 R C 1.532 177.748 176.300 -0.140 0.000 1.048 354 R CA 0.397 56.255 56.100 -0.404 0.000 1.173 354 R CB 0.464 30.469 30.300 -0.491 0.000 1.070 354 R HN 0.156 nan 8.270 nan 0.000 0.498 355 S N 0.325 115.983 115.700 -0.070 0.000 2.383 355 S HA -0.051 4.409 4.470 -0.018 0.000 0.227 355 S C 0.424 174.994 174.600 -0.051 0.000 1.026 355 S CA 1.288 59.468 58.200 -0.033 0.000 0.981 355 S CB 0.237 63.430 63.200 -0.012 0.000 0.818 355 S HN 0.715 nan 8.310 nan 0.000 0.472 356 A N 0.934 123.710 122.820 -0.073 0.000 2.455 356 A HA 0.675 4.984 4.320 -0.018 0.000 0.300 356 A C -0.537 176.989 177.584 -0.096 0.000 1.040 356 A CA -0.958 51.038 52.037 -0.069 0.000 0.697 356 A CB 0.981 19.956 19.000 -0.043 0.000 1.265 356 A HN 0.279 nan 8.150 nan 0.000 0.407 357 R N 0.348 120.794 120.500 -0.091 0.000 2.758 357 R HA 0.259 4.588 4.340 -0.018 0.000 0.263 357 R C -0.008 176.247 176.300 -0.076 0.000 1.010 357 R CA -0.153 55.888 56.100 -0.097 0.000 1.114 357 R CB 0.125 30.381 30.300 -0.073 0.000 0.985 357 R HN 0.578 nan 8.270 nan 0.000 0.439 358 L N 1.247 122.425 121.223 -0.074 0.000 2.439 358 L HA 0.212 4.542 4.340 -0.018 0.000 0.259 358 L C -0.220 176.630 176.870 -0.033 0.000 1.129 358 L CA -0.103 54.707 54.840 -0.049 0.000 0.803 358 L CB 1.055 43.086 42.059 -0.046 0.000 1.161 358 L HN 0.588 nan 8.230 nan 0.000 0.462 359 N N 1.032 119.721 118.700 -0.018 0.000 2.415 359 N HA 0.442 5.172 4.740 -0.018 0.000 0.248 359 N C -0.231 175.271 175.510 -0.014 0.000 1.271 359 N CA 0.198 53.244 53.050 -0.006 0.000 0.913 359 N CB 0.322 38.816 38.487 0.011 0.000 1.129 359 N HN 0.879 nan 8.380 nan 0.000 0.444 360 S N 0.002 115.695 115.700 -0.011 0.000 2.677 360 S HA 0.167 4.627 4.470 -0.018 0.000 0.290 360 S C 0.035 174.619 174.600 -0.027 0.000 1.124 360 S CA -0.604 57.580 58.200 -0.026 0.000 1.017 360 S CB 0.340 63.522 63.200 -0.031 0.000 1.215 360 S HN 0.634 nan 8.310 nan 0.000 0.524 361 Q N 0.444 120.211 119.800 -0.055 0.000 2.311 361 Q HA 0.242 4.572 4.340 -0.018 0.000 0.272 361 Q C -0.859 175.118 176.000 -0.039 0.000 1.012 361 Q CA 0.218 55.976 55.803 -0.075 0.000 0.891 361 Q CB 0.316 28.955 28.738 -0.164 0.000 1.201 361 Q HN 0.523 nan 8.270 nan 0.000 0.391 362 R N 3.263 123.758 120.500 -0.010 0.000 2.393 362 R HA 0.447 4.776 4.340 -0.018 0.000 0.310 362 R C -1.191 175.123 176.300 0.023 0.000 0.968 362 R CA -0.765 55.369 56.100 0.056 0.000 0.867 362 R CB 1.115 31.487 30.300 0.120 0.000 1.124 362 R HN 0.435 nan 8.270 nan 0.000 0.450 363 L N 4.210 125.458 121.223 0.041 0.000 2.342 363 L HA 0.416 4.745 4.340 -0.018 0.000 0.276 363 L C -1.350 175.507 176.870 -0.021 0.000 0.997 363 L CA -0.637 54.176 54.840 -0.045 0.000 0.838 363 L CB 1.861 43.906 42.059 -0.023 0.000 1.224 363 L HN 0.392 nan 8.230 nan 0.000 0.416 364 V N 6.150 125.988 119.914 -0.127 0.000 2.378 364 V HA 0.502 4.611 4.120 -0.018 0.000 0.288 364 V C -0.856 175.074 176.094 -0.274 0.000 1.016 364 V CA -0.291 61.974 62.300 -0.058 0.000 0.840 364 V CB 1.274 33.059 31.823 -0.062 0.000 0.994 364 V HN 0.580 nan 8.190 nan 0.000 0.431 365 F N 7.074 126.944 119.950 -0.133 0.000 2.499 365 F HA 0.369 4.885 4.527 -0.020 0.000 0.353 365 F C 1.306 177.081 175.800 -0.041 0.000 1.196 365 F CA -0.205 57.661 58.000 -0.223 0.000 1.244 365 F CB 0.060 38.651 39.000 -0.682 0.000 1.577 365 F HN 0.769 nan 8.300 nan 0.000 0.614 366 N N 1.243 119.914 118.700 -0.049 0.000 2.365 366 N HA 0.320 5.049 4.740 -0.018 0.000 0.257 366 N C -0.286 174.752 175.510 -0.787 0.000 1.287 366 N CA -0.639 52.278 53.050 -0.223 0.000 0.882 366 N CB 0.718 39.184 38.487 -0.035 0.000 1.250 366 N HN 0.317 nan 8.380 nan 0.000 0.507 367 R N 0.036 120.111 120.500 -0.709 0.000 2.739 367 R HA 0.424 4.753 4.340 -0.018 0.000 0.271 367 R C -3.148 173.133 176.300 -0.032 0.000 1.010 367 R CA -1.947 53.841 56.100 -0.520 0.000 0.897 367 R CB 1.002 31.198 30.300 -0.173 0.000 1.236 367 R HN -0.055 nan 8.270 nan 0.000 0.466 368 P HA -0.068 nan 4.420 nan 0.000 0.263 368 P C -1.137 176.434 177.300 0.452 0.000 1.175 368 P CA 0.521 63.852 63.100 0.386 0.000 0.761 368 P CB 0.222 32.062 31.700 0.233 0.000 0.794 369 F N 1.177 121.323 119.950 0.326 0.000 2.664 369 F HA 0.717 5.235 4.527 -0.015 0.000 0.317 369 F C -1.654 174.341 175.800 0.324 0.000 1.108 369 F CA -1.590 56.623 58.000 0.354 0.000 0.957 369 F CB 0.411 39.744 39.000 0.555 0.000 1.365 369 F HN -0.077 nan 8.300 nan 0.000 0.475 370 L N 2.678 124.194 121.223 0.488 0.000 2.352 370 L HA 0.741 5.070 4.340 -0.018 0.000 0.269 370 L C -0.228 176.955 176.870 0.522 0.000 1.034 370 L CA -1.024 54.034 54.840 0.363 0.000 0.806 370 L CB 1.686 43.958 42.059 0.354 0.000 1.244 370 L HN 0.915 nan 8.230 nan 0.000 0.447 371 M N 0.800 120.634 119.600 0.389 0.000 2.371 371 M HA 0.650 5.119 4.480 -0.018 0.000 0.287 371 M C -1.990 174.479 176.300 0.282 0.000 1.149 371 M CA -0.395 55.152 55.300 0.412 0.000 0.929 371 M CB 2.279 35.161 32.600 0.471 0.000 1.683 371 M HN 0.159 nan 8.290 nan 0.000 0.470 372 F N 2.945 122.934 119.950 0.064 0.000 2.561 372 F HA 0.760 5.277 4.527 -0.017 0.000 0.321 372 F C -0.471 175.353 175.800 0.039 0.000 1.065 372 F CA -1.013 57.027 58.000 0.067 0.000 0.934 372 F CB 2.185 41.250 39.000 0.108 0.000 1.215 372 F HN 0.532 nan 8.300 nan 0.000 0.471 373 I N 3.672 124.389 120.570 0.245 0.000 2.476 373 I HA 0.440 4.599 4.170 -0.018 0.000 0.281 373 I C -1.257 174.953 176.117 0.154 0.000 1.040 373 I CA -0.832 60.582 61.300 0.190 0.000 1.094 373 I CB 1.522 39.599 38.000 0.128 0.000 1.219 373 I HN 0.375 nan 8.210 nan 0.000 0.450 374 V N 2.170 122.190 119.914 0.176 0.000 2.823 374 V HA 0.619 4.729 4.120 -0.018 0.000 0.312 374 V C -0.653 175.524 176.094 0.139 0.000 1.072 374 V CA -0.489 61.896 62.300 0.142 0.000 0.937 374 V CB 2.438 34.359 31.823 0.164 0.000 1.013 374 V HN 0.508 nan 8.190 nan 0.000 0.430 375 D N 1.979 122.444 120.400 0.108 0.000 2.685 375 D HA 0.196 4.825 4.640 -0.018 0.000 0.254 375 D C 0.659 177.007 176.300 0.080 0.000 1.414 375 D CA 0.476 54.539 54.000 0.105 0.000 1.145 375 D CB 0.527 41.382 40.800 0.092 0.000 0.941 375 D HN 0.675 nan 8.370 nan 0.000 0.250 376 N N 0.385 119.120 118.700 0.058 0.000 2.197 376 N HA 0.110 4.839 4.740 -0.018 0.000 0.201 376 N C -0.107 175.427 175.510 0.039 0.000 1.148 376 N CA 0.070 53.146 53.050 0.043 0.000 0.883 376 N CB 1.223 39.725 38.487 0.024 0.000 1.012 376 N HN 0.223 nan 8.380 nan 0.000 0.507 377 N N 0.180 118.905 118.700 0.042 0.000 3.201 377 N HA 0.453 5.183 4.740 -0.018 0.000 0.344 377 N C -0.644 174.893 175.510 0.045 0.000 1.465 377 N CA -0.435 52.636 53.050 0.035 0.000 0.731 377 N CB 1.417 39.913 38.487 0.016 0.000 1.677 377 N HN -0.176 nan 8.380 nan 0.000 0.631 378 I N 2.067 122.645 120.570 0.013 0.000 2.405 378 I HA 0.217 4.376 4.170 -0.018 0.000 0.280 378 I C 1.309 177.332 176.117 -0.157 0.000 1.027 378 I CA -0.191 61.101 61.300 -0.013 0.000 1.161 378 I CB 1.063 39.055 38.000 -0.014 0.000 1.300 378 I HN 0.320 nan 8.210 nan 0.000 0.463 379 L N 5.272 126.380 121.223 -0.192 0.000 2.072 379 L HA 0.075 4.404 4.340 -0.018 0.000 0.205 379 L C -0.102 176.209 176.870 -0.932 0.000 1.079 379 L CA 1.487 56.037 54.840 -0.483 0.000 0.752 379 L CB -0.034 41.789 42.059 -0.394 0.000 0.906 379 L HN 0.360 nan 8.230 nan 0.000 0.436 380 F N -1.155 118.605 119.950 -0.315 0.000 2.588 380 F HA 0.591 5.106 4.527 -0.020 0.000 0.310 380 F C -0.601 174.859 175.800 -0.567 0.000 1.082 380 F CA -0.921 56.772 58.000 -0.512 0.000 0.929 380 F CB 2.089 40.842 39.000 -0.412 0.000 1.254 380 F HN -0.377 nan 8.300 nan 0.000 0.455 381 L N 1.705 122.528 121.223 -0.666 0.000 2.505 381 L HA 0.956 5.285 4.340 -0.018 0.000 0.266 381 L C -0.873 175.719 176.870 -0.464 0.000 0.954 381 L CA 0.052 54.443 54.840 -0.748 0.000 0.852 381 L CB 1.894 43.340 42.059 -1.021 0.000 1.282 381 L HN 0.739 nan 8.230 nan 0.000 0.403 382 G N 2.889 111.625 108.800 -0.107 0.000 2.559 382 G HA2 0.408 4.357 3.960 -0.018 0.000 0.291 382 G HA3 0.408 4.357 3.960 -0.018 0.000 0.291 382 G C -2.199 172.864 174.900 0.272 0.000 1.424 382 G CA -0.821 44.458 45.100 0.298 0.000 0.786 382 G HN 0.617 nan 8.290 nan 0.000 0.485 383 K N 0.597 121.199 120.400 0.336 0.000 2.450 383 K HA 0.541 4.851 4.320 -0.018 0.000 0.257 383 K C -1.002 175.605 176.600 0.011 0.000 0.953 383 K CA -0.554 55.848 56.287 0.191 0.000 0.844 383 K CB 1.876 34.561 32.500 0.309 0.000 1.103 383 K HN 0.226 nan 8.250 nan 0.000 0.429 384 V N 5.638 125.369 119.914 -0.305 0.000 2.313 384 V HA 0.051 4.160 4.120 -0.018 0.000 0.252 384 V C 0.854 176.742 176.094 -0.343 0.000 1.112 384 V CA -0.438 61.533 62.300 -0.548 0.000 0.984 384 V CB 0.374 31.392 31.823 -1.342 0.000 1.157 384 V HN 0.770 nan 8.190 nan 0.000 0.493 385 N N 3.288 121.922 118.700 -0.111 0.000 2.368 385 N HA 0.066 4.795 4.740 -0.018 0.000 0.176 385 N C 0.906 176.449 175.510 0.055 0.000 1.021 385 N CA 0.555 53.638 53.050 0.054 0.000 0.888 385 N CB 0.331 38.863 38.487 0.074 0.000 0.995 385 N HN 0.599 nan 8.380 nan 0.000 0.437 386 R N 0.768 121.175 120.500 -0.155 0.000 2.695 386 R HA 0.289 4.619 4.340 -0.018 0.000 0.288 386 R C -2.733 173.348 176.300 -0.365 0.000 1.344 386 R CA -1.060 54.881 56.100 -0.266 0.000 1.005 386 R CB 1.244 31.493 30.300 -0.085 0.000 1.233 386 R HN -0.136 nan 8.270 nan 0.000 0.442 387 P HA 0.000 nan 4.420 nan 0.000 0.216 387 P CA 0.000 62.848 63.100 -0.421 0.000 0.800 387 P CB 0.000 31.395 31.700 -0.509 0.000 0.726