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 1qni_1_F DATA FIRST_RESID 10 DATA SEQUENCE AHVAPGELDE YYGFWSGGHQ GEVRVLGVPS MRELMRIPVF NVDSATGWGI DATA SEQUENCE TNESKEILGG DQQYLNGDCH HPHISMTDGR YDGKYLFIND KANTRVARIR DATA SEQUENCE LDIMKTDKIT HIPNVQAIHG LRLQKVPKTN YVFCNAEFVI PQPNDGTDFS DATA SEQUENCE LDNSYTMFTA IDAETMDVAW QVIVDGNLDN TDADYTGKYA TSTCYNSERA DATA SEQUENCE VDLAGTMRND RDWVVVFNVE RIAAAVKAGN FKTIGDSKVP VVDGRGESEF DATA SEQUENCE TRYIPVPKNP HGLNTSPDGK YFIANGKLSP TVSVIAIDKL DDLFEDKIEL DATA SEQUENCE RDTIVAEPEL GLGPLHTTFD GRGNAYTTLF IDSQVCKWNI ADAIKHYNGD DATA SEQUENCE RVNYIRQKLD VQYQPGHNHA SLTESRDADG KWLVVLSKFS KDRFLPVGPL DATA SEQUENCE HPENDQLIDI SGEEMKLVHD GPTYAEPHDC ILVRRDQIKT KKIYERNDPY DATA SEQUENCE FASCRAQAEK DGVTLESDNK VIRDGNKVRV YMTSVAPQYG MTDFKVKEGD DATA SEQUENCE EVTVYITNLD MVEDVTHGFC MVNHGVSMEI SPQQTASVTF TAGKPGVYWY DATA SEQUENCE YCNWFCHALH MEMVGRMLVE AA 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 10 A HA 0.000 nan 4.320 nan 0.000 0.244 10 A C 0.000 177.420 177.584 -0.274 0.000 1.274 10 A CA 0.000 51.962 52.037 -0.125 0.000 0.836 10 A CB 0.000 18.823 19.000 -0.295 0.000 0.831 11 H N -0.017 119.091 119.070 0.063 0.000 2.495 11 H HA 0.637 5.193 4.556 -0.000 0.000 0.348 11 H C -1.182 174.145 175.328 -0.003 0.000 1.113 11 H CA -0.696 55.360 56.048 0.014 0.000 1.195 11 H CB 1.752 31.530 29.762 0.027 0.000 1.521 11 H HN 0.043 nan 8.280 nan 0.000 0.509 12 V N 2.254 122.215 119.914 0.079 0.000 2.326 12 V HA 0.457 4.576 4.120 -0.000 0.000 0.281 12 V C 0.607 176.707 176.094 0.009 0.000 1.015 12 V CA -0.814 61.497 62.300 0.018 0.000 0.823 12 V CB 0.865 32.664 31.823 -0.040 0.000 1.009 12 V HN 0.954 nan 8.190 nan 0.000 0.436 13 A N 6.954 129.783 122.820 0.015 0.000 2.287 13 A HA 0.787 5.107 4.320 -0.000 0.000 0.273 13 A C -2.485 175.091 177.584 -0.014 0.000 1.091 13 A CA -1.605 50.432 52.037 0.001 0.000 0.817 13 A CB 0.061 19.065 19.000 0.008 0.000 1.069 13 A HN 0.644 nan 8.150 nan 0.000 0.492 14 P HA 0.270 nan 4.420 nan 0.000 0.263 14 P C 0.919 178.206 177.300 -0.022 0.000 1.195 14 P CA 2.000 65.086 63.100 -0.024 0.000 0.762 14 P CB 0.591 32.277 31.700 -0.024 0.000 0.799 15 G N 2.160 110.944 108.800 -0.026 0.000 2.232 15 G HA2 -0.190 3.769 3.960 -0.000 0.000 0.226 15 G HA3 -0.190 3.769 3.960 -0.000 0.000 0.226 15 G C 0.060 174.945 174.900 -0.024 0.000 0.996 15 G CA -0.352 44.735 45.100 -0.023 0.000 0.626 15 G HN 0.535 nan 8.290 nan 0.000 0.509 16 E N 0.043 120.228 120.200 -0.025 0.000 2.250 16 E HA 0.734 5.084 4.350 -0.000 0.000 0.265 16 E C 0.002 176.575 176.600 -0.045 0.000 1.033 16 E CA -0.672 55.712 56.400 -0.027 0.000 0.888 16 E CB 1.495 31.186 29.700 -0.014 0.000 1.151 16 E HN 0.298 nan 8.360 nan 0.000 0.412 17 L N 1.193 122.385 121.223 -0.053 0.000 2.333 17 L HA 0.386 4.726 4.340 -0.000 0.000 0.269 17 L C -0.286 176.529 176.870 -0.093 0.000 1.010 17 L CA -1.034 53.756 54.840 -0.084 0.000 0.818 17 L CB 1.545 43.549 42.059 -0.092 0.000 1.306 17 L HN 0.455 nan 8.230 nan 0.000 0.430 18 D N -0.078 120.240 120.400 -0.136 0.000 2.369 18 D HA 0.046 4.686 4.640 -0.000 0.000 0.241 18 D C 0.594 176.820 176.300 -0.124 0.000 1.271 18 D CA 0.037 53.959 54.000 -0.130 0.000 0.942 18 D CB 1.039 41.724 40.800 -0.192 0.000 1.129 18 D HN 0.527 nan 8.370 nan 0.000 0.476 19 E N -1.075 119.097 120.200 -0.047 0.000 2.340 19 E HA 0.050 4.400 4.350 -0.000 0.000 0.198 19 E C -0.426 176.002 176.600 -0.287 0.000 0.961 19 E CA 0.176 56.507 56.400 -0.115 0.000 0.905 19 E CB 0.498 30.206 29.700 0.014 0.000 0.884 19 E HN 0.384 nan 8.360 nan 0.000 0.491 20 Y N -1.116 119.139 120.300 -0.076 0.000 2.536 20 Y HA 0.355 4.904 4.550 -0.000 0.000 0.347 20 Y C -0.709 175.093 175.900 -0.164 0.000 1.000 20 Y CA -1.154 56.930 58.100 -0.028 0.000 1.051 20 Y CB 0.964 39.470 38.460 0.078 0.000 1.259 20 Y HN -0.150 nan 8.280 nan 0.000 0.468 21 Y N 0.312 120.649 120.300 0.060 0.000 2.334 21 Y HA 0.599 5.149 4.550 -0.000 0.000 0.328 21 Y C 0.597 176.362 175.900 -0.225 0.000 1.130 21 Y CA -0.713 57.263 58.100 -0.207 0.000 1.163 21 Y CB 1.752 40.023 38.460 -0.316 0.000 1.207 21 Y HN 0.693 nan 8.280 nan 0.000 0.471 22 G N 3.209 111.888 108.800 -0.202 0.000 2.675 22 G HA2 0.486 4.446 3.960 -0.000 0.000 0.297 22 G HA3 0.486 4.446 3.960 -0.000 0.000 0.297 22 G C -1.682 173.198 174.900 -0.034 0.000 1.399 22 G CA -0.446 44.692 45.100 0.064 0.000 0.981 22 G HN 0.380 nan 8.290 nan 0.000 0.519 23 F N 2.340 122.469 119.950 0.299 0.000 2.334 23 F HA 0.353 4.879 4.527 -0.000 0.000 0.365 23 F C 0.525 176.463 175.800 0.229 0.000 1.124 23 F CA -1.065 57.046 58.000 0.185 0.000 1.166 23 F CB 0.748 39.748 39.000 -0.001 0.000 1.355 23 F HN 0.342 nan 8.300 nan 0.000 0.532 24 W N 3.089 124.394 121.300 0.009 0.000 2.315 24 W HA 0.279 4.939 4.660 -0.000 0.000 0.316 24 W C 0.438 176.948 176.519 -0.016 0.000 1.211 24 W CA -0.832 56.495 57.345 -0.031 0.000 1.201 24 W CB 1.849 31.283 29.460 -0.043 0.000 1.184 24 W HN 0.402 nan 8.180 nan 0.000 0.544 25 S N 1.454 117.189 115.700 0.059 0.000 2.593 25 S HA 0.307 4.777 4.470 -0.000 0.000 0.269 25 S C 0.780 175.441 174.600 0.102 0.000 1.334 25 S CA -0.097 58.130 58.200 0.045 0.000 1.015 25 S CB 1.662 64.844 63.200 -0.029 0.000 0.912 25 S HN 0.623 nan 8.310 nan 0.000 0.541 26 G N -0.390 108.470 108.800 0.100 0.000 3.126 26 G HA2 0.526 4.485 3.960 -0.000 0.000 0.224 26 G HA3 0.526 4.485 3.960 -0.000 0.000 0.224 26 G C 0.913 175.843 174.900 0.050 0.000 1.142 26 G CA 0.130 45.283 45.100 0.088 0.000 0.759 26 G HN 1.549 nan 8.290 nan 0.000 0.550 27 G N 1.176 110.033 108.800 0.094 0.000 2.547 27 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.271 27 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.271 27 G C 0.783 175.788 174.900 0.174 0.000 1.209 27 G CA 0.323 45.498 45.100 0.125 0.000 0.959 27 G HN 0.959 nan 8.290 nan 0.000 0.563 28 H N 1.080 120.194 119.070 0.073 0.000 2.566 28 H HA 0.257 4.813 4.556 -0.000 0.000 0.280 28 H C 1.811 177.199 175.328 0.100 0.000 1.042 28 H CA 1.130 57.234 56.048 0.093 0.000 1.168 28 H CB 0.177 29.985 29.762 0.077 0.000 1.340 28 H HN 0.501 nan 8.280 nan 0.000 0.597 29 Q N 1.302 121.063 119.800 -0.065 0.000 2.302 29 Q HA 0.039 4.379 4.340 -0.000 0.000 0.202 29 Q C 1.250 177.322 176.000 0.120 0.000 0.936 29 Q CA 1.275 57.082 55.803 0.006 0.000 0.886 29 Q CB 0.163 28.908 28.738 0.012 0.000 0.986 29 Q HN 0.734 nan 8.270 nan 0.000 0.487 30 G N 1.130 110.026 108.800 0.159 0.000 2.254 30 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.225 30 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.225 30 G C 0.175 175.163 174.900 0.146 0.000 1.003 30 G CA 0.394 45.635 45.100 0.234 0.000 0.622 30 G HN 0.537 nan 8.290 nan 0.000 0.507 31 E N 0.074 120.321 120.200 0.078 0.000 2.302 31 E HA 0.699 5.049 4.350 -0.000 0.000 0.255 31 E C -0.780 175.829 176.600 0.015 0.000 1.099 31 E CA -0.831 55.567 56.400 -0.004 0.000 0.929 31 E CB 2.121 31.822 29.700 0.001 0.000 1.203 31 E HN 0.306 nan 8.360 nan 0.000 0.459 32 V N 0.955 120.856 119.914 -0.022 0.000 2.448 32 V HA 0.385 4.505 4.120 -0.000 0.000 0.295 32 V C -0.343 175.795 176.094 0.073 0.000 1.025 32 V CA -0.731 61.589 62.300 0.033 0.000 0.859 32 V CB 1.372 33.183 31.823 -0.020 0.000 0.988 32 V HN 0.569 nan 8.190 nan 0.000 0.431 33 R N 3.052 123.633 120.500 0.135 0.000 2.460 33 R HA 0.716 5.055 4.340 -0.000 0.000 0.303 33 R C -1.158 175.203 176.300 0.102 0.000 0.968 33 R CA -0.605 55.549 56.100 0.091 0.000 0.889 33 R CB 2.061 32.394 30.300 0.054 0.000 1.123 33 R HN 0.517 nan 8.270 nan 0.000 0.455 34 V N 5.310 125.236 119.914 0.019 0.000 2.394 34 V HA 0.417 4.537 4.120 -0.000 0.000 0.282 34 V C -0.003 175.975 176.094 -0.192 0.000 1.031 34 V CA -0.588 61.657 62.300 -0.092 0.000 0.881 34 V CB 1.063 32.878 31.823 -0.013 0.000 0.982 34 V HN 0.547 nan 8.190 nan 0.000 0.451 35 L N 3.403 124.441 121.223 -0.309 0.000 2.301 35 L HA 0.836 5.176 4.340 -0.000 0.000 0.264 35 L C 0.551 177.222 176.870 -0.331 0.000 1.016 35 L CA -0.768 53.840 54.840 -0.387 0.000 0.821 35 L CB 2.094 43.736 42.059 -0.695 0.000 1.346 35 L HN 0.706 nan 8.230 nan 0.000 0.429 36 G N 0.465 109.073 108.800 -0.321 0.000 2.343 36 G HA2 0.571 4.531 3.960 -0.000 0.000 0.319 36 G HA3 0.571 4.531 3.960 -0.000 0.000 0.319 36 G C -0.932 173.792 174.900 -0.293 0.000 1.126 36 G CA -0.275 44.650 45.100 -0.292 0.000 0.889 36 G HN 0.231 nan 8.290 nan 0.000 0.457 37 V N 4.038 123.816 119.914 -0.226 0.000 2.555 37 V HA 0.423 4.542 4.120 -0.000 0.000 0.302 37 V C -1.452 174.527 176.094 -0.192 0.000 1.038 37 V CA -1.529 60.604 62.300 -0.278 0.000 0.887 37 V CB 2.747 34.427 31.823 -0.238 0.000 0.991 37 V HN 0.715 nan 8.190 nan 0.000 0.434 38 P HA 0.015 nan 4.420 nan 0.000 0.257 38 P C 1.176 178.201 177.300 -0.459 0.000 1.281 38 P CA 0.454 63.189 63.100 -0.608 0.000 0.826 38 P CB 0.402 31.649 31.700 -0.755 0.000 1.237 39 S N -0.509 114.989 115.700 -0.336 0.000 2.423 39 S HA -0.083 4.387 4.470 -0.000 0.000 0.231 39 S C 1.367 175.696 174.600 -0.451 0.000 1.014 39 S CA 0.557 58.561 58.200 -0.326 0.000 0.965 39 S CB -0.975 62.093 63.200 -0.220 0.000 0.785 39 S HN -0.047 nan 8.310 nan 0.000 0.495 40 M N -0.221 119.112 119.600 -0.445 0.000 2.818 40 M HA -0.136 4.344 4.480 -0.000 0.000 0.204 40 M C -0.301 175.773 176.300 -0.377 0.000 0.552 40 M CA 0.830 55.854 55.300 -0.459 0.000 0.687 40 M CB -2.432 29.875 32.600 -0.489 0.000 2.512 40 M HN 0.540 nan 8.290 nan 0.000 0.563 41 R N 0.736 121.045 120.500 -0.319 0.000 2.457 41 R HA 0.466 4.806 4.340 -0.000 0.000 0.284 41 R C 0.646 176.788 176.300 -0.263 0.000 1.024 41 R CA -0.619 55.334 56.100 -0.245 0.000 1.025 41 R CB 1.296 31.484 30.300 -0.186 0.000 1.063 41 R HN 0.225 nan 8.270 nan 0.000 0.493 42 E N 3.397 123.464 120.200 -0.221 0.000 2.129 42 E HA 0.023 4.373 4.350 -0.000 0.000 0.283 42 E C 0.320 176.837 176.600 -0.137 0.000 1.080 42 E CA -0.115 56.165 56.400 -0.201 0.000 0.867 42 E CB 0.550 30.151 29.700 -0.166 0.000 1.056 42 E HN 0.543 nan 8.360 nan 0.000 0.404 43 L N 3.981 125.127 121.223 -0.128 0.000 2.307 43 L HA 0.174 4.514 4.340 -0.000 0.000 0.211 43 L C 0.636 177.490 176.870 -0.028 0.000 1.099 43 L CA 0.310 55.105 54.840 -0.075 0.000 0.816 43 L CB 0.040 42.057 42.059 -0.070 0.000 0.952 43 L HN 0.552 nan 8.230 nan 0.000 0.455 44 M N -0.868 118.718 119.600 -0.024 0.000 2.562 44 M HA 0.365 4.845 4.480 -0.000 0.000 0.281 44 M C -1.785 174.522 176.300 0.012 0.000 1.195 44 M CA -0.518 54.789 55.300 0.013 0.000 0.888 44 M CB 1.948 34.573 32.600 0.043 0.000 1.731 44 M HN -0.160 nan 8.290 nan 0.000 0.493 45 R N 3.584 124.097 120.500 0.022 0.000 2.343 45 R HA 0.720 5.060 4.340 -0.000 0.000 0.320 45 R C -1.080 175.218 176.300 -0.004 0.000 0.956 45 R CA -0.548 55.560 56.100 0.012 0.000 0.836 45 R CB 1.188 31.497 30.300 0.015 0.000 1.151 45 R HN 0.688 nan 8.270 nan 0.000 0.450 46 I N 5.612 126.157 120.570 -0.042 0.000 2.306 46 I HA 0.248 4.418 4.170 -0.000 0.000 0.288 46 I C -1.938 174.040 176.117 -0.233 0.000 1.036 46 I CA -2.330 58.890 61.300 -0.134 0.000 1.221 46 I CB 1.449 39.356 38.000 -0.154 0.000 1.385 46 I HN 0.257 nan 8.210 nan 0.000 0.472 47 P HA 0.087 nan 4.420 nan 0.000 0.271 47 P C 0.092 176.903 177.300 -0.815 0.000 1.216 47 P CA 0.095 62.962 63.100 -0.388 0.000 0.771 47 P CB 2.375 33.939 31.700 -0.227 0.000 0.864 48 V N 2.202 121.762 119.914 -0.589 0.000 3.449 48 V HA 0.114 4.234 4.120 -0.000 0.000 0.208 48 V C 1.373 177.155 176.094 -0.520 0.000 1.269 48 V CA 0.868 62.708 62.300 -0.766 0.000 1.301 48 V CB -0.734 30.584 31.823 -0.842 0.000 1.306 48 V HN 0.271 nan 8.190 nan 0.000 0.531 49 F N 1.885 121.886 119.950 0.084 0.000 2.704 49 F HA 0.319 4.845 4.527 -0.000 0.000 0.304 49 F C 1.070 176.996 175.800 0.210 0.000 1.094 49 F CA -0.799 57.303 58.000 0.171 0.000 1.275 49 F CB -0.584 38.476 39.000 0.100 0.000 1.073 49 F HN 0.351 nan 8.300 nan 0.000 0.586 50 N N -0.560 118.311 118.700 0.285 0.000 2.447 50 N HA 0.461 5.200 4.740 -0.000 0.000 0.271 50 N C -1.043 174.660 175.510 0.320 0.000 1.226 50 N CA -0.711 52.495 53.050 0.262 0.000 0.980 50 N CB 1.243 39.839 38.487 0.182 0.000 1.206 50 N HN -0.205 nan 8.380 nan 0.000 0.558 51 V N 0.611 120.678 119.914 0.255 0.000 2.328 51 V HA 0.142 4.262 4.120 -0.000 0.000 0.278 51 V C -0.701 175.519 176.094 0.210 0.000 1.021 51 V CA -0.532 61.915 62.300 0.246 0.000 0.838 51 V CB 0.595 32.520 31.823 0.171 0.000 0.999 51 V HN 0.760 nan 8.190 nan 0.000 0.447 52 D N 3.342 123.896 120.400 0.256 0.000 2.347 52 D HA 0.148 4.788 4.640 -0.000 0.000 0.235 52 D C 1.264 177.663 176.300 0.165 0.000 1.149 52 D CA 0.248 54.369 54.000 0.200 0.000 0.850 52 D CB 1.798 42.739 40.800 0.236 0.000 1.061 52 D HN 0.414 nan 8.370 nan 0.000 0.487 53 S N 2.791 118.556 115.700 0.108 0.000 2.442 53 S HA -0.149 4.321 4.470 -0.000 0.000 0.236 53 S C 1.630 176.271 174.600 0.069 0.000 1.007 53 S CA 1.413 59.658 58.200 0.076 0.000 0.965 53 S CB -0.059 63.166 63.200 0.042 0.000 0.773 53 S HN 0.578 nan 8.310 nan 0.000 0.504 54 A N 0.856 123.722 122.820 0.077 0.000 1.859 54 A HA 0.047 4.367 4.320 -0.000 0.000 0.212 54 A C 2.418 180.167 177.584 0.275 0.000 1.238 54 A CA 1.646 53.707 52.037 0.041 0.000 0.613 54 A CB -1.456 17.517 19.000 -0.046 0.000 0.904 54 A HN 0.676 nan 8.150 nan 0.000 0.457 55 T N -3.787 111.001 114.554 0.391 0.000 3.055 55 T HA 0.338 4.687 4.350 -0.000 0.000 0.265 55 T C 1.430 176.341 174.700 0.350 0.000 1.111 55 T CA 1.339 63.733 62.100 0.490 0.000 1.118 55 T CB -0.163 68.965 68.868 0.434 0.000 0.909 55 T HN 1.869 nan 8.240 nan 0.000 0.501 56 G N 0.506 109.473 108.800 0.280 0.000 2.143 56 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.249 56 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.249 56 G C -0.110 174.902 174.900 0.186 0.000 0.981 56 G CA -0.079 45.138 45.100 0.195 0.000 0.665 56 G HN 0.708 nan 8.290 nan 0.000 0.528 57 W N 0.846 122.219 121.300 0.122 0.000 2.489 57 W HA 0.386 5.046 4.660 -0.000 0.000 0.327 57 W C 1.049 177.623 176.519 0.093 0.000 1.436 57 W CA 1.174 58.586 57.345 0.112 0.000 1.315 57 W CB -0.018 29.506 29.460 0.107 0.000 1.373 57 W HN 1.293 nan 8.180 nan 0.000 0.557 58 G N 4.318 112.860 108.800 -0.430 0.000 2.218 58 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.216 58 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.216 58 G C 0.521 175.354 174.900 -0.111 0.000 0.994 58 G CA 0.315 45.290 45.100 -0.208 0.000 0.637 58 G HN 0.569 nan 8.290 nan 0.000 0.505 59 I N 1.302 121.819 120.570 -0.087 0.000 4.124 59 I HA 0.151 4.321 4.170 -0.000 0.000 0.311 59 I C 1.671 177.747 176.117 -0.068 0.000 1.259 59 I CA 0.885 62.161 61.300 -0.040 0.000 1.315 59 I CB 0.291 38.303 38.000 0.019 0.000 1.223 59 I HN 0.310 nan 8.210 nan 0.000 0.441 60 T N -1.601 112.894 114.554 -0.099 0.000 2.860 60 T HA 0.130 4.480 4.350 -0.000 0.000 0.299 60 T C 0.636 175.231 174.700 -0.174 0.000 1.045 60 T CA -0.187 61.839 62.100 -0.124 0.000 1.071 60 T CB 0.917 69.713 68.868 -0.119 0.000 0.985 60 T HN 0.129 nan 8.240 nan 0.000 0.537 61 N N 0.363 118.955 118.700 -0.179 0.000 2.331 61 N HA -0.060 4.680 4.740 -0.000 0.000 0.180 61 N C 1.600 177.018 175.510 -0.153 0.000 1.019 61 N CA 0.709 53.660 53.050 -0.164 0.000 0.881 61 N CB -0.021 38.358 38.487 -0.179 0.000 0.972 61 N HN 0.669 nan 8.380 nan 0.000 0.435 62 E N 0.101 120.198 120.200 -0.172 0.000 2.072 62 E HA -0.105 4.245 4.350 -0.000 0.000 0.190 62 E C 2.154 178.657 176.600 -0.161 0.000 0.982 62 E CA 1.160 57.481 56.400 -0.131 0.000 0.803 62 E CB -0.195 29.378 29.700 -0.212 0.000 0.755 62 E HN 0.355 nan 8.360 nan 0.000 0.453 63 S N 0.915 116.402 115.700 -0.355 0.000 2.355 63 S HA -0.148 4.322 4.470 -0.000 0.000 0.222 63 S C 1.846 176.092 174.600 -0.589 0.000 1.031 63 S CA 0.925 58.592 58.200 -0.888 0.000 0.993 63 S CB -0.252 62.094 63.200 -1.424 0.000 0.859 63 S HN 0.067 nan 8.310 nan 0.000 0.453 64 K N 1.142 121.322 120.400 -0.366 0.000 2.113 64 K HA -0.158 4.162 4.320 -0.000 0.000 0.208 64 K C 2.424 178.957 176.600 -0.112 0.000 1.047 64 K CA 1.661 57.825 56.287 -0.205 0.000 0.928 64 K CB -0.225 32.188 32.500 -0.145 0.000 0.716 64 K HN 0.643 nan 8.250 nan 0.000 0.446 65 E N 0.991 121.134 120.200 -0.095 0.000 2.072 65 E HA -0.168 4.182 4.350 -0.000 0.000 0.191 65 E C 1.937 178.542 176.600 0.008 0.000 0.985 65 E CA 0.890 57.272 56.400 -0.031 0.000 0.801 65 E CB 0.036 29.725 29.700 -0.017 0.000 0.750 65 E HN 0.261 nan 8.360 nan 0.000 0.452 66 I N 0.706 121.279 120.570 0.005 0.000 2.315 66 I HA -0.252 3.918 4.170 -0.000 0.000 0.248 66 I C 2.308 178.498 176.117 0.123 0.000 1.117 66 I CA 0.684 62.036 61.300 0.087 0.000 1.404 66 I CB -0.123 37.983 38.000 0.178 0.000 1.071 66 I HN 0.191 nan 8.210 nan 0.000 0.419 67 L N 0.486 121.757 121.223 0.080 0.000 2.141 67 L HA -0.044 4.296 4.340 -0.000 0.000 0.209 67 L C 1.757 178.763 176.870 0.228 0.000 1.094 67 L CA 0.858 55.800 54.840 0.170 0.000 0.763 67 L CB -1.089 41.033 42.059 0.105 0.000 0.908 67 L HN 0.480 nan 8.230 nan 0.000 0.437 68 G N -0.268 108.615 108.800 0.138 0.000 2.602 68 G HA2 -0.113 3.847 3.960 -0.000 0.000 0.306 68 G HA3 -0.113 3.847 3.960 -0.000 0.000 0.306 68 G C 0.537 175.531 174.900 0.157 0.000 1.301 68 G CA 0.020 45.196 45.100 0.127 0.000 0.974 68 G HN 1.052 nan 8.290 nan 0.000 0.547 69 G N -1.859 106.977 108.800 0.061 0.000 2.757 69 G HA2 0.278 4.238 3.960 -0.000 0.000 0.686 69 G HA3 0.278 4.238 3.960 -0.000 0.000 0.686 69 G C 0.053 174.917 174.900 -0.060 0.000 1.452 69 G CA 0.728 45.773 45.100 -0.092 0.000 0.922 69 G HN 2.219 nan 8.290 nan 0.000 0.588 70 D N -0.509 119.836 120.400 -0.091 0.000 2.358 70 D HA 0.335 4.974 4.640 -0.000 0.000 0.224 70 D C 0.677 176.921 176.300 -0.093 0.000 1.123 70 D CA 0.614 54.572 54.000 -0.070 0.000 0.833 70 D CB 0.525 41.291 40.800 -0.056 0.000 0.946 70 D HN 0.737 nan 8.370 nan 0.000 0.505 71 Q N 0.116 119.824 119.800 -0.154 0.000 2.391 71 Q HA 0.129 4.469 4.340 -0.000 0.000 0.279 71 Q C -1.701 174.017 176.000 -0.471 0.000 1.028 71 Q CA -0.843 54.776 55.803 -0.308 0.000 0.836 71 Q CB 1.713 30.216 28.738 -0.393 0.000 1.414 71 Q HN 0.154 nan 8.270 nan 0.000 0.397 72 Q N 2.477 122.054 119.800 -0.371 0.000 2.267 72 Q HA 0.292 4.632 4.340 -0.000 0.000 0.255 72 Q C -1.719 174.087 176.000 -0.324 0.000 0.923 72 Q CA -0.252 55.399 55.803 -0.253 0.000 0.925 72 Q CB 0.658 29.337 28.738 -0.097 0.000 1.195 72 Q HN 0.537 nan 8.270 nan 0.000 0.417 73 Y N 4.061 124.430 120.300 0.114 0.000 2.328 73 Y HA 0.226 4.776 4.550 -0.000 0.000 0.333 73 Y C 0.408 176.391 175.900 0.138 0.000 0.958 73 Y CA -0.690 57.484 58.100 0.123 0.000 1.167 73 Y CB 1.236 39.779 38.460 0.139 0.000 1.151 73 Y HN 0.623 nan 8.280 nan 0.000 0.470 74 L N 2.979 124.360 121.223 0.262 0.000 2.610 74 L HA 0.083 4.423 4.340 -0.000 0.000 0.232 74 L C 0.204 177.211 176.870 0.228 0.000 1.149 74 L CA 0.390 55.356 54.840 0.211 0.000 0.872 74 L CB -0.614 41.538 42.059 0.155 0.000 0.992 74 L HN 0.710 nan 8.230 nan 0.000 0.447 75 N N -1.341 117.512 118.700 0.256 0.000 2.902 75 N HA 0.764 5.504 4.740 -0.000 0.000 0.268 75 N C -0.489 175.142 175.510 0.200 0.000 1.450 75 N CA -0.543 52.639 53.050 0.220 0.000 0.819 75 N CB 2.036 40.629 38.487 0.176 0.000 1.540 75 N HN -0.135 nan 8.380 nan 0.000 0.545 76 G N -0.886 108.016 108.800 0.171 0.000 2.488 76 G HA2 0.398 4.358 3.960 -0.000 0.000 0.301 76 G HA3 0.398 4.358 3.960 -0.000 0.000 0.301 76 G C -2.261 172.702 174.900 0.105 0.000 1.339 76 G CA -0.425 44.709 45.100 0.057 0.000 0.803 76 G HN 0.701 nan 8.290 nan 0.000 0.482 77 D N -0.631 119.786 120.400 0.028 0.000 2.351 77 D HA 0.388 5.028 4.640 -0.000 0.000 0.235 77 D C 0.045 176.475 176.300 0.216 0.000 1.331 77 D CA -0.375 53.735 54.000 0.183 0.000 0.959 77 D CB 0.062 40.986 40.800 0.206 0.000 1.432 77 D HN 0.668 nan 8.370 nan 0.000 0.544 78 C N 1.892 121.362 119.300 0.284 0.000 2.388 78 C HA 0.648 5.108 4.460 -0.000 0.000 0.362 78 C C 1.317 176.469 174.990 0.270 0.000 1.266 78 C CA -0.572 58.618 59.018 0.286 0.000 2.028 78 C CB 0.537 28.471 27.740 0.322 0.000 2.440 78 C HN 0.692 nan 8.230 nan 0.000 0.547 79 H N -0.440 118.510 119.070 -0.200 0.000 2.735 79 H HA 0.130 4.686 4.556 -0.000 0.000 0.250 79 H C -0.285 174.669 175.328 -0.624 0.000 0.948 79 H CA 0.118 55.850 56.048 -0.526 0.000 1.137 79 H CB 0.380 29.486 29.762 -1.093 0.000 1.440 79 H HN 0.737 nan 8.280 nan 0.000 0.444 80 H N 2.130 121.239 119.070 0.065 0.000 2.762 80 H HA 0.242 4.798 4.556 -0.000 0.000 0.310 80 H C -2.698 172.585 175.328 -0.075 0.000 1.004 80 H CA -2.001 54.032 56.048 -0.025 0.000 1.267 80 H CB 1.977 31.818 29.762 0.131 0.000 1.437 80 H HN 0.158 nan 8.280 nan 0.000 0.498 81 P HA 0.247 nan 4.420 nan 0.000 0.304 81 P C -0.927 176.011 177.300 -0.603 0.000 1.360 81 P CA -0.436 62.512 63.100 -0.253 0.000 0.869 81 P CB 1.846 33.436 31.700 -0.183 0.000 0.988 82 H N 2.406 121.497 119.070 0.035 0.000 2.771 82 H HA 0.381 4.937 4.556 -0.000 0.000 0.361 82 H C -0.414 174.928 175.328 0.025 0.000 1.108 82 H CA -0.736 55.335 56.048 0.037 0.000 1.201 82 H CB 2.757 32.578 29.762 0.098 0.000 1.681 82 H HN 0.422 nan 8.280 nan 0.000 0.534 83 I N 2.234 122.810 120.570 0.011 0.000 2.499 83 I HA 0.152 4.321 4.170 -0.000 0.000 0.296 83 I C 0.633 176.818 176.117 0.114 0.000 0.992 83 I CA -0.327 60.942 61.300 -0.052 0.000 1.297 83 I CB 0.860 38.692 38.000 -0.280 0.000 1.410 83 I HN 0.668 nan 8.210 nan 0.000 0.507 84 S N 7.292 123.096 115.700 0.172 0.000 2.576 84 S HA 0.346 4.816 4.470 -0.000 0.000 0.272 84 S C -0.366 174.339 174.600 0.175 0.000 1.352 84 S CA -0.370 57.961 58.200 0.217 0.000 1.021 84 S CB 0.860 64.216 63.200 0.259 0.000 0.887 84 S HN 0.660 nan 8.310 nan 0.000 0.542 85 M N 0.877 120.564 119.600 0.146 0.000 2.631 85 M HA 0.448 4.928 4.480 -0.000 0.000 0.288 85 M C -1.157 175.185 176.300 0.070 0.000 1.260 85 M CA -0.468 54.914 55.300 0.136 0.000 0.842 85 M CB 3.038 35.723 32.600 0.141 0.000 1.743 85 M HN 0.700 nan 8.290 nan 0.000 0.461 86 T N 0.727 115.314 114.554 0.056 0.000 2.965 86 T HA 0.278 4.628 4.350 -0.000 0.000 0.306 86 T C -0.828 173.887 174.700 0.025 0.000 0.991 86 T CA -0.255 61.864 62.100 0.031 0.000 1.001 86 T CB 0.707 69.591 68.868 0.026 0.000 0.984 86 T HN 0.896 nan 8.240 nan 0.000 0.446 87 D N 2.700 123.109 120.400 0.016 0.000 2.746 87 D HA -0.149 4.491 4.640 -0.000 0.000 0.236 87 D C 1.191 177.507 176.300 0.027 0.000 1.129 87 D CA 2.194 56.207 54.000 0.022 0.000 0.691 87 D CB -1.209 39.608 40.800 0.028 0.000 1.077 87 D HN 1.249 nan 8.370 nan 0.000 0.432 88 G N -0.372 108.412 108.800 -0.026 0.000 2.148 88 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.254 88 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.254 88 G C 0.314 175.211 174.900 -0.006 0.000 0.981 88 G CA 0.529 45.590 45.100 -0.064 0.000 0.670 88 G HN 0.662 nan 8.290 nan 0.000 0.528 89 R N -1.006 119.493 120.500 -0.001 0.000 2.750 89 R HA 0.512 4.852 4.340 -0.000 0.000 0.281 89 R C -0.707 175.639 176.300 0.076 0.000 0.972 89 R CA -1.056 55.022 56.100 -0.037 0.000 0.912 89 R CB 1.126 31.424 30.300 -0.003 0.000 1.187 89 R HN 0.097 nan 8.270 nan 0.000 0.464 90 Y N 1.704 122.057 120.300 0.089 0.000 2.544 90 Y HA -0.032 4.518 4.550 -0.000 0.000 0.330 90 Y C 1.198 177.129 175.900 0.051 0.000 1.136 90 Y CA -0.697 57.453 58.100 0.084 0.000 1.417 90 Y CB 0.114 38.647 38.460 0.121 0.000 1.229 90 Y HN 0.687 nan 8.280 nan 0.000 0.532 91 D N -0.681 119.828 120.400 0.183 0.000 2.369 91 D HA 0.156 4.796 4.640 -0.000 0.000 0.211 91 D C 1.571 177.883 176.300 0.019 0.000 1.077 91 D CA 0.364 54.410 54.000 0.076 0.000 0.842 91 D CB 0.139 40.958 40.800 0.031 0.000 0.947 91 D HN 0.697 nan 8.370 nan 0.000 0.509 92 G N 0.980 109.792 108.800 0.021 0.000 2.225 92 G HA2 -0.433 3.527 3.960 -0.000 0.000 0.267 92 G HA3 -0.433 3.527 3.960 -0.000 0.000 0.267 92 G C 0.841 175.639 174.900 -0.171 0.000 1.024 92 G CA 0.890 45.951 45.100 -0.066 0.000 0.784 92 G HN 0.525 nan 8.290 nan 0.000 0.507 93 K N -1.478 118.788 120.400 -0.223 0.000 2.063 93 K HA 0.266 4.586 4.320 -0.000 0.000 0.204 93 K C 0.490 176.752 176.600 -0.564 0.000 1.039 93 K CA 0.705 56.719 56.287 -0.455 0.000 0.957 93 K CB 0.177 32.325 32.500 -0.587 0.000 0.764 93 K HN 0.351 nan 8.250 nan 0.000 0.447 94 Y N -0.331 119.862 120.300 -0.179 0.000 2.630 94 Y HA 0.530 5.080 4.550 -0.000 0.000 0.337 94 Y C -0.762 174.896 175.900 -0.404 0.000 1.051 94 Y CA -1.181 56.703 58.100 -0.360 0.000 1.121 94 Y CB 1.501 39.688 38.460 -0.455 0.000 1.299 94 Y HN -0.039 nan 8.280 nan 0.000 0.498 95 L N 1.694 122.655 121.223 -0.436 0.000 2.470 95 L HA 0.658 4.998 4.340 -0.000 0.000 0.268 95 L C -2.177 174.378 176.870 -0.525 0.000 0.964 95 L CA -0.383 54.223 54.840 -0.390 0.000 0.839 95 L CB 1.011 42.759 42.059 -0.518 0.000 1.276 95 L HN 0.483 nan 8.230 nan 0.000 0.403 96 F N 5.403 125.304 119.950 -0.081 0.000 2.480 96 F HA 0.704 5.230 4.527 -0.000 0.000 0.329 96 F C -0.061 175.734 175.800 -0.009 0.000 1.091 96 F CA -0.573 57.393 58.000 -0.057 0.000 0.972 96 F CB 1.967 40.939 39.000 -0.047 0.000 1.150 96 F HN 0.316 nan 8.300 nan 0.000 0.467 97 I N 1.707 122.384 120.570 0.178 0.000 2.994 97 I HA 0.373 4.543 4.170 -0.000 0.000 0.306 97 I C -1.237 175.024 176.117 0.241 0.000 1.195 97 I CA -0.722 60.685 61.300 0.179 0.000 1.001 97 I CB 2.220 40.286 38.000 0.111 0.000 1.244 97 I HN 0.812 nan 8.210 nan 0.000 0.437 98 N N 2.061 120.880 118.700 0.198 0.000 2.458 98 N HA 0.479 5.219 4.740 -0.000 0.000 0.271 98 N C -1.531 173.973 175.510 -0.010 0.000 1.210 98 N CA -0.479 52.628 53.050 0.096 0.000 0.978 98 N CB 1.102 39.608 38.487 0.033 0.000 1.206 98 N HN 0.427 nan 8.380 nan 0.000 0.536 99 D N -1.350 118.870 120.400 -0.300 0.000 2.336 99 D HA 0.137 4.776 4.640 -0.000 0.000 0.248 99 D C -0.247 175.816 176.300 -0.394 0.000 1.326 99 D CA -0.593 53.015 54.000 -0.653 0.000 0.973 99 D CB 1.056 40.972 40.800 -1.473 0.000 1.255 99 D HN 0.701 nan 8.370 nan 0.000 0.558 100 K N 2.420 122.654 120.400 -0.276 0.000 2.296 100 K HA 0.069 4.389 4.320 -0.000 0.000 0.200 100 K C 1.424 177.906 176.600 -0.196 0.000 1.048 100 K CA 0.945 57.081 56.287 -0.252 0.000 0.966 100 K CB 0.203 32.528 32.500 -0.292 0.000 0.754 100 K HN 0.355 nan 8.250 nan 0.000 0.466 101 A N 1.085 123.795 122.820 -0.183 0.000 1.930 101 A HA -0.013 4.307 4.320 -0.000 0.000 0.215 101 A C 1.066 178.527 177.584 -0.205 0.000 1.176 101 A CA 1.001 52.958 52.037 -0.134 0.000 0.632 101 A CB 0.030 18.981 19.000 -0.082 0.000 0.819 101 A HN 0.341 nan 8.150 nan 0.000 0.445 102 N N -0.291 118.207 118.700 -0.338 0.000 2.377 102 N HA 0.104 4.844 4.740 -0.000 0.000 0.259 102 N C -1.033 174.275 175.510 -0.338 0.000 1.332 102 N CA 0.638 53.430 53.050 -0.430 0.000 0.877 102 N CB 0.610 38.590 38.487 -0.846 0.000 1.299 102 N HN 0.205 nan 8.380 nan 0.000 0.501 103 T N 0.988 115.385 114.554 -0.263 0.000 2.964 103 T HA -0.222 4.128 4.350 -0.000 0.000 0.458 103 T C 0.088 174.661 174.700 -0.212 0.000 0.776 103 T CA 0.920 62.906 62.100 -0.191 0.000 2.376 103 T CB -1.016 67.802 68.868 -0.084 0.000 1.655 103 T HN 0.448 nan 8.240 nan 0.000 0.574 104 R N -0.395 119.939 120.500 -0.277 0.000 2.795 104 R HA 0.814 5.154 4.340 -0.000 0.000 0.268 104 R C -1.224 175.016 176.300 -0.099 0.000 1.041 104 R CA -1.128 54.839 56.100 -0.222 0.000 0.927 104 R CB 1.926 32.054 30.300 -0.287 0.000 1.235 104 R HN 0.186 nan 8.270 nan 0.000 0.463 105 V N 0.547 120.484 119.914 0.039 0.000 2.808 105 V HA 0.757 4.877 4.120 -0.000 0.000 0.308 105 V C -1.005 175.210 176.094 0.202 0.000 1.099 105 V CA -0.779 61.598 62.300 0.129 0.000 0.920 105 V CB 1.875 33.722 31.823 0.041 0.000 1.014 105 V HN 0.927 nan 8.190 nan 0.000 0.425 106 A N 4.351 127.311 122.820 0.233 0.000 2.380 106 A HA 0.940 5.260 4.320 -0.000 0.000 0.315 106 A C -0.604 176.948 177.584 -0.053 0.000 1.101 106 A CA -0.786 51.285 52.037 0.058 0.000 0.771 106 A CB 1.832 20.748 19.000 -0.141 0.000 1.287 106 A HN 0.771 nan 8.150 nan 0.000 0.436 107 R N 1.402 121.778 120.500 -0.206 0.000 2.637 107 R HA 0.751 5.091 4.340 -0.000 0.000 0.291 107 R C -1.772 174.252 176.300 -0.460 0.000 0.963 107 R CA -0.516 55.257 56.100 -0.546 0.000 0.901 107 R CB 1.020 30.970 30.300 -0.584 0.000 1.160 107 R HN 0.698 nan 8.270 nan 0.000 0.457 108 I N 3.702 123.962 120.570 -0.517 0.000 2.499 108 I HA 0.384 4.554 4.170 -0.000 0.000 0.288 108 I C 0.066 176.025 176.117 -0.264 0.000 1.048 108 I CA -0.900 60.176 61.300 -0.373 0.000 1.062 108 I CB 2.164 39.931 38.000 -0.388 0.000 1.238 108 I HN 0.435 nan 8.210 nan 0.000 0.426 109 R N 5.774 126.165 120.500 -0.181 0.000 2.296 109 R HA 0.266 4.606 4.340 -0.000 0.000 0.323 109 R C 0.711 176.892 176.300 -0.199 0.000 1.067 109 R CA -0.179 55.855 56.100 -0.110 0.000 0.946 109 R CB 0.782 31.027 30.300 -0.092 0.000 0.991 109 R HN 0.664 nan 8.270 nan 0.000 0.448 110 L N 2.454 123.534 121.223 -0.238 0.000 2.478 110 L HA -0.132 4.208 4.340 -0.000 0.000 0.223 110 L C 1.889 178.639 176.870 -0.200 0.000 1.140 110 L CA 0.614 55.297 54.840 -0.261 0.000 0.842 110 L CB -0.284 41.587 42.059 -0.314 0.000 0.953 110 L HN 0.665 nan 8.230 nan 0.000 0.452 111 D N 1.449 121.741 120.400 -0.180 0.000 2.219 111 D HA -0.204 4.436 4.640 -0.000 0.000 0.205 111 D C 1.561 177.778 176.300 -0.138 0.000 0.970 111 D CA 1.347 55.258 54.000 -0.147 0.000 0.851 111 D CB -0.003 40.716 40.800 -0.135 0.000 0.943 111 D HN 0.594 nan 8.370 nan 0.000 0.488 112 I N -4.894 115.593 120.570 -0.138 0.000 4.338 112 I HA 0.256 4.426 4.170 -0.000 0.000 0.329 112 I C 0.012 176.067 176.117 -0.103 0.000 1.378 112 I CA -0.564 60.658 61.300 -0.130 0.000 1.170 112 I CB 0.259 38.187 38.000 -0.121 0.000 1.206 112 I HN -0.324 nan 8.210 nan 0.000 0.432 113 M N 2.064 121.587 119.600 -0.128 0.000 2.350 113 M HA -0.130 4.350 4.480 -0.000 0.000 0.190 113 M C -1.037 175.169 176.300 -0.157 0.000 0.710 113 M CA 1.333 56.558 55.300 -0.125 0.000 0.495 113 M CB -1.658 30.915 32.600 -0.045 0.000 1.136 113 M HN 0.450 nan 8.290 nan 0.000 0.901 114 K N -0.119 120.142 120.400 -0.232 0.000 2.502 114 K HA 0.486 4.806 4.320 -0.000 0.000 0.257 114 K C -0.121 176.240 176.600 -0.398 0.000 0.938 114 K CA -0.566 55.525 56.287 -0.327 0.000 0.819 114 K CB 1.669 33.931 32.500 -0.396 0.000 1.333 114 K HN 0.141 nan 8.250 nan 0.000 0.434 115 T N 2.151 116.369 114.554 -0.561 0.000 2.829 115 T HA -0.029 4.321 4.350 -0.000 0.000 0.293 115 T C 0.940 175.521 174.700 -0.197 0.000 0.970 115 T CA 0.513 62.323 62.100 -0.484 0.000 1.168 115 T CB 0.382 68.778 68.868 -0.787 0.000 0.911 115 T HN 0.460 nan 8.240 nan 0.000 0.535 116 D N 2.614 122.908 120.400 -0.178 0.000 2.232 116 D HA 0.077 4.717 4.640 -0.000 0.000 0.220 116 D C 0.515 176.802 176.300 -0.020 0.000 0.982 116 D CA 1.038 54.978 54.000 -0.100 0.000 0.892 116 D CB 0.420 41.128 40.800 -0.152 0.000 1.040 116 D HN 0.224 nan 8.370 nan 0.000 0.463 117 K N 0.026 120.386 120.400 -0.066 0.000 2.435 117 K HA 0.508 4.828 4.320 -0.000 0.000 0.251 117 K C -0.930 175.684 176.600 0.024 0.000 0.954 117 K CA -0.672 55.611 56.287 -0.006 0.000 0.820 117 K CB 2.634 35.104 32.500 -0.049 0.000 1.292 117 K HN 0.073 nan 8.250 nan 0.000 0.436 118 I N 1.362 121.982 120.570 0.084 0.000 2.534 118 I HA 0.263 4.433 4.170 -0.000 0.000 0.288 118 I C -0.777 175.410 176.117 0.116 0.000 1.077 118 I CA -0.500 60.870 61.300 0.116 0.000 1.051 118 I CB 2.506 40.616 38.000 0.183 0.000 1.234 118 I HN 0.398 nan 8.210 nan 0.000 0.425 119 T N 3.530 118.133 114.554 0.082 0.000 2.861 119 T HA 0.414 4.763 4.350 -0.000 0.000 0.287 119 T C -0.579 174.144 174.700 0.039 0.000 1.003 119 T CA -0.625 61.530 62.100 0.091 0.000 0.977 119 T CB 1.197 70.090 68.868 0.043 0.000 0.996 119 T HN 0.363 nan 8.240 nan 0.000 0.448 120 H N 2.675 121.772 119.070 0.045 0.000 2.620 120 H HA 0.250 4.806 4.556 -0.000 0.000 0.313 120 H C 0.014 175.340 175.328 -0.003 0.000 1.075 120 H CA -0.631 55.435 56.048 0.030 0.000 1.397 120 H CB 0.908 30.702 29.762 0.054 0.000 1.446 120 H HN 0.308 nan 8.280 nan 0.000 0.493 121 I N 6.523 127.126 120.570 0.056 0.000 2.416 121 I HA 0.100 4.269 4.170 -0.000 0.000 0.288 121 I C -1.820 174.319 176.117 0.037 0.000 1.051 121 I CA -2.500 58.804 61.300 0.007 0.000 1.375 121 I CB 0.447 38.420 38.000 -0.045 0.000 1.407 121 I HN 0.360 nan 8.210 nan 0.000 0.516 122 P HA 0.225 nan 4.420 nan 0.000 0.279 122 P C -0.296 177.027 177.300 0.039 0.000 1.252 122 P CA -0.372 62.751 63.100 0.040 0.000 0.811 122 P CB 0.749 32.467 31.700 0.030 0.000 1.035 123 N N -1.730 117.002 118.700 0.054 0.000 2.710 123 N HA -0.127 4.613 4.740 -0.000 0.000 0.249 123 N C -0.247 175.306 175.510 0.073 0.000 1.059 123 N CA 0.695 53.784 53.050 0.066 0.000 0.720 123 N CB -1.312 37.213 38.487 0.063 0.000 0.983 123 N HN 0.301 nan 8.380 nan 0.000 0.544 124 V N -0.729 119.223 119.914 0.063 0.000 3.226 124 V HA 0.501 4.621 4.120 -0.000 0.000 0.304 124 V C -1.056 175.070 176.094 0.053 0.000 1.336 124 V CA -0.646 61.692 62.300 0.064 0.000 1.066 124 V CB 2.802 34.648 31.823 0.037 0.000 1.087 124 V HN 0.217 nan 8.190 nan 0.000 0.451 125 Q N 1.157 120.985 119.800 0.046 0.000 2.379 125 Q HA 0.704 5.044 4.340 -0.000 0.000 0.278 125 Q C -0.698 175.247 176.000 -0.091 0.000 1.068 125 Q CA 0.055 55.875 55.803 0.029 0.000 0.816 125 Q CB 2.070 30.885 28.738 0.129 0.000 1.387 125 Q HN 2.023 nan 8.270 nan 0.000 0.413 126 A N 3.206 125.932 122.820 -0.158 0.000 1.848 126 A HA -0.143 4.176 4.320 -0.000 0.000 0.241 126 A C -0.558 176.860 177.584 -0.277 0.000 1.341 126 A CA 0.132 51.969 52.037 -0.333 0.000 0.706 126 A CB -1.309 17.193 19.000 -0.831 0.000 1.189 126 A HN 0.502 nan 8.150 nan 0.000 0.259 127 I N 4.023 124.475 120.570 -0.197 0.000 2.436 127 I HA 0.153 4.323 4.170 -0.000 0.000 0.289 127 I C 1.421 177.475 176.117 -0.105 0.000 1.083 127 I CA 0.821 62.044 61.300 -0.130 0.000 1.372 127 I CB 0.080 38.006 38.000 -0.123 0.000 1.408 127 I HN 0.853 nan 8.210 nan 0.000 0.516 128 H N 5.224 124.194 119.070 -0.167 0.000 2.772 128 H HA 0.223 4.779 4.556 -0.000 0.000 0.222 128 H C 0.895 176.292 175.328 0.115 0.000 1.135 128 H CA 0.156 56.117 56.048 -0.144 0.000 1.513 128 H CB 1.034 30.709 29.762 -0.144 0.000 1.377 128 H HN 0.583 nan 8.280 nan 0.000 0.524 129 G N 1.552 110.270 108.800 -0.137 0.000 2.414 129 G HA2 0.330 4.290 3.960 -0.000 0.000 0.236 129 G HA3 0.330 4.290 3.960 -0.000 0.000 0.236 129 G C -0.883 173.963 174.900 -0.089 0.000 1.293 129 G CA 0.067 45.014 45.100 -0.256 0.000 0.869 129 G HN 0.401 nan 8.290 nan 0.000 0.556 130 L N 1.933 123.073 121.223 -0.139 0.000 2.565 130 L HA 0.712 5.052 4.340 -0.000 0.000 0.261 130 L C -0.632 176.183 176.870 -0.093 0.000 0.932 130 L CA -0.851 53.982 54.840 -0.011 0.000 0.878 130 L CB 1.547 43.673 42.059 0.113 0.000 1.333 130 L HN 0.714 nan 8.230 nan 0.000 0.409 131 R N 3.759 124.199 120.500 -0.101 0.000 2.716 131 R HA 0.642 4.982 4.340 -0.000 0.000 0.271 131 R C -1.777 174.482 176.300 -0.069 0.000 1.028 131 R CA -0.866 55.081 56.100 -0.253 0.000 0.883 131 R CB 2.209 32.362 30.300 -0.246 0.000 1.250 131 R HN 0.522 nan 8.270 nan 0.000 0.465 132 L N 0.821 122.003 121.223 -0.069 0.000 2.332 132 L HA 0.477 4.817 4.340 -0.000 0.000 0.269 132 L C 0.370 177.272 176.870 0.054 0.000 1.016 132 L CA -0.869 53.924 54.840 -0.079 0.000 0.809 132 L CB 1.275 43.293 42.059 -0.068 0.000 1.280 132 L HN 0.457 nan 8.230 nan 0.000 0.447 133 Q N 0.791 120.585 119.800 -0.010 0.000 2.352 133 Q HA 0.105 4.445 4.340 -0.000 0.000 0.260 133 Q C -0.058 175.966 176.000 0.040 0.000 0.976 133 Q CA 0.080 55.968 55.803 0.142 0.000 0.881 133 Q CB 1.139 29.942 28.738 0.108 0.000 1.235 133 Q HN 0.576 nan 8.270 nan 0.000 0.419 134 K N 1.619 122.018 120.400 -0.002 0.000 2.329 134 K HA 0.200 4.520 4.320 -0.000 0.000 0.198 134 K C -0.259 176.286 176.600 -0.092 0.000 1.085 134 K CA 0.234 56.443 56.287 -0.129 0.000 0.961 134 K CB 0.977 33.212 32.500 -0.441 0.000 0.971 134 K HN 0.320 nan 8.250 nan 0.000 0.502 135 V N 2.125 122.017 119.914 -0.036 0.000 2.789 135 V HA 0.162 4.282 4.120 -0.000 0.000 0.311 135 V C -2.267 173.852 176.094 0.041 0.000 1.073 135 V CA -1.554 60.750 62.300 0.006 0.000 0.921 135 V CB 2.093 33.931 31.823 0.025 0.000 1.009 135 V HN -0.091 nan 8.190 nan 0.000 0.426 136 P HA 0.013 nan 4.420 nan 0.000 0.229 136 P C -0.159 177.149 177.300 0.013 0.000 1.160 136 P CA 0.858 63.972 63.100 0.022 0.000 0.777 136 P CB 0.148 31.860 31.700 0.020 0.000 0.814 137 K N -5.002 115.404 120.400 0.010 0.000 2.755 137 K HA 0.300 4.620 4.320 -0.000 0.000 0.294 137 K C -1.220 175.376 176.600 -0.007 0.000 1.060 137 K CA -0.845 55.444 56.287 0.004 0.000 0.845 137 K CB -0.313 32.188 32.500 0.002 0.000 1.539 137 K HN -0.510 nan 8.250 nan 0.000 0.379 138 T N 1.729 116.278 114.554 -0.008 0.000 2.978 138 T HA 0.143 4.493 4.350 -0.000 0.000 0.278 138 T C 0.227 174.854 174.700 -0.120 0.000 0.945 138 T CA -0.109 61.959 62.100 -0.055 0.000 1.070 138 T CB -0.722 68.141 68.868 -0.009 0.000 0.948 138 T HN 0.510 nan 8.240 nan 0.000 0.617 139 N N 1.332 119.921 118.700 -0.185 0.000 2.454 139 N HA 0.097 4.836 4.740 -0.000 0.000 0.177 139 N C -0.523 174.645 175.510 -0.569 0.000 1.049 139 N CA 0.248 53.097 53.050 -0.336 0.000 0.887 139 N CB 0.504 38.779 38.487 -0.353 0.000 1.095 139 N HN 0.405 nan 8.380 nan 0.000 0.446 140 Y N 0.463 120.513 120.300 -0.418 0.000 2.468 140 Y HA 0.480 5.029 4.550 -0.000 0.000 0.342 140 Y C -0.397 174.893 175.900 -1.016 0.000 1.021 140 Y CA -0.948 56.704 58.100 -0.747 0.000 1.079 140 Y CB 1.598 39.506 38.460 -0.920 0.000 1.226 140 Y HN -0.344 nan 8.280 nan 0.000 0.460 141 V N 4.488 123.891 119.914 -0.851 0.000 2.378 141 V HA 0.357 4.477 4.120 -0.000 0.000 0.288 141 V C -1.025 174.587 176.094 -0.804 0.000 1.016 141 V CA -0.962 60.840 62.300 -0.829 0.000 0.840 141 V CB 0.506 31.834 31.823 -0.825 0.000 0.994 141 V HN 0.446 nan 8.190 nan 0.000 0.431 142 F N 4.297 124.050 119.950 -0.329 0.000 2.415 142 F HA 0.660 5.186 4.527 -0.000 0.000 0.348 142 F C 0.567 176.161 175.800 -0.343 0.000 1.119 142 F CA -0.849 56.887 58.000 -0.441 0.000 1.069 142 F CB 1.246 40.175 39.000 -0.119 0.000 1.124 142 F HN 0.617 nan 8.300 nan 0.000 0.472 143 C N 1.445 120.563 119.300 -0.304 0.000 2.626 143 C HA 0.675 5.135 4.460 -0.000 0.000 0.310 143 C C -0.672 174.249 174.990 -0.116 0.000 1.191 143 C CA -1.197 57.730 59.018 -0.152 0.000 1.517 143 C CB 0.773 28.421 27.740 -0.154 0.000 2.102 143 C HN 0.893 nan 8.230 nan 0.000 0.479 144 N N 0.444 119.166 118.700 0.038 0.000 2.466 144 N HA 0.662 5.402 4.740 -0.000 0.000 0.294 144 N C -0.561 174.976 175.510 0.044 0.000 1.129 144 N CA -0.389 52.735 53.050 0.124 0.000 0.931 144 N CB 1.631 40.226 38.487 0.179 0.000 1.193 144 N HN 1.041 nan 8.380 nan 0.000 0.500 145 A N 0.738 123.591 122.820 0.054 0.000 2.287 145 A HA 0.177 4.497 4.320 -0.000 0.000 0.317 145 A C 0.719 178.298 177.584 -0.009 0.000 1.220 145 A CA -0.581 51.452 52.037 -0.007 0.000 0.835 145 A CB 0.879 19.891 19.000 0.021 0.000 1.180 145 A HN 0.890 nan 8.150 nan 0.000 0.500 146 E N 2.061 122.174 120.200 -0.144 0.000 2.046 146 E HA -0.018 4.331 4.350 -0.000 0.000 0.190 146 E C -0.506 176.102 176.600 0.015 0.000 0.982 146 E CA 0.825 57.131 56.400 -0.157 0.000 0.800 146 E CB 0.028 29.485 29.700 -0.405 0.000 0.756 146 E HN 0.646 nan 8.360 nan 0.000 0.449 147 F N 1.268 121.233 119.950 0.025 0.000 2.394 147 F HA 0.193 4.720 4.527 -0.000 0.000 0.340 147 F C 0.323 176.140 175.800 0.027 0.000 1.105 147 F CA -1.701 56.308 58.000 0.015 0.000 1.124 147 F CB 0.873 39.882 39.000 0.015 0.000 1.145 147 F HN -0.216 nan 8.300 nan 0.000 0.505 148 V N 3.527 123.569 119.914 0.214 0.000 2.546 148 V HA 0.746 4.866 4.120 -0.000 0.000 0.284 148 V C -0.201 175.966 176.094 0.122 0.000 1.050 148 V CA -0.665 61.715 62.300 0.133 0.000 0.981 148 V CB 0.855 32.703 31.823 0.043 0.000 0.990 148 V HN 0.704 nan 8.190 nan 0.000 0.474 149 I N 0.731 121.385 120.570 0.140 0.000 3.095 149 I HA 0.743 4.913 4.170 -0.000 0.000 0.310 149 I C -2.822 173.395 176.117 0.166 0.000 1.196 149 I CA -2.768 58.616 61.300 0.139 0.000 0.985 149 I CB 2.455 40.542 38.000 0.144 0.000 1.250 149 I HN 0.401 nan 8.210 nan 0.000 0.446 150 P HA 0.074 nan 4.420 nan 0.000 0.269 150 P C -1.441 175.960 177.300 0.168 0.000 1.215 150 P CA 0.145 63.349 63.100 0.174 0.000 0.780 150 P CB 0.537 32.322 31.700 0.141 0.000 0.898 151 Q N 2.314 122.216 119.800 0.171 0.000 2.401 151 Q HA 0.367 4.707 4.340 -0.000 0.000 0.260 151 Q C -1.896 174.153 176.000 0.083 0.000 1.034 151 Q CA -1.632 54.244 55.803 0.123 0.000 0.737 151 Q CB 1.337 30.143 28.738 0.114 0.000 1.227 151 Q HN 0.433 nan 8.270 nan 0.000 0.488 152 P HA 0.135 nan 4.420 nan 0.000 0.281 152 P C -0.623 176.726 177.300 0.082 0.000 1.249 152 P CA -0.564 62.581 63.100 0.074 0.000 0.810 152 P CB 0.925 32.659 31.700 0.058 0.000 1.008 153 N N 1.308 120.066 118.700 0.096 0.000 3.178 153 N HA -0.012 4.728 4.740 -0.000 0.000 0.300 153 N C -0.048 175.523 175.510 0.103 0.000 1.242 153 N CA -0.218 52.899 53.050 0.113 0.000 1.192 153 N CB -0.761 37.803 38.487 0.128 0.000 1.463 153 N HN 0.229 nan 8.380 nan 0.000 0.539 154 D N 0.108 120.552 120.400 0.074 0.000 2.349 154 D HA 0.189 4.829 4.640 -0.000 0.000 0.214 154 D C 1.130 177.462 176.300 0.054 0.000 1.063 154 D CA 0.046 54.081 54.000 0.059 0.000 0.847 154 D CB -0.231 40.589 40.800 0.033 0.000 0.933 154 D HN 0.287 nan 8.370 nan 0.000 0.513 155 G N 0.395 109.236 108.800 0.068 0.000 2.160 155 G HA2 -0.308 3.651 3.960 -0.000 0.000 0.244 155 G HA3 -0.308 3.651 3.960 -0.000 0.000 0.244 155 G C 0.947 175.665 174.900 -0.303 0.000 1.022 155 G CA 0.780 45.897 45.100 0.029 0.000 0.741 155 G HN 0.591 nan 8.290 nan 0.000 0.508 156 T N -3.828 110.567 114.554 -0.265 0.000 3.001 156 T HA 0.439 4.789 4.350 -0.000 0.000 0.251 156 T C 0.313 174.812 174.700 -0.336 0.000 1.040 156 T CA 0.989 62.931 62.100 -0.262 0.000 0.985 156 T CB 0.827 69.625 68.868 -0.117 0.000 1.011 156 T HN 0.534 nan 8.240 nan 0.000 0.509 157 D N -0.218 119.945 120.400 -0.396 0.000 2.452 157 D HA 0.305 4.945 4.640 -0.000 0.000 0.226 157 D C -0.527 175.681 176.300 -0.155 0.000 1.366 157 D CA -0.734 53.103 54.000 -0.271 0.000 0.986 157 D CB 0.321 41.069 40.800 -0.087 0.000 1.420 157 D HN -0.035 nan 8.370 nan 0.000 0.583 158 F N 1.231 121.197 119.950 0.026 0.000 2.743 158 F HA 0.122 4.649 4.527 -0.000 0.000 0.297 158 F C 1.536 177.343 175.800 0.012 0.000 1.131 158 F CA -0.135 57.876 58.000 0.020 0.000 1.426 158 F CB -0.705 38.303 39.000 0.013 0.000 1.116 158 F HN 0.286 nan 8.300 nan 0.000 0.583 159 S N 1.442 117.239 115.700 0.161 0.000 2.593 159 S HA -0.072 4.398 4.470 -0.000 0.000 0.300 159 S C 1.209 175.845 174.600 0.060 0.000 1.267 159 S CA -0.296 57.959 58.200 0.092 0.000 1.065 159 S CB 0.270 63.504 63.200 0.057 0.000 0.807 159 S HN 0.382 nan 8.310 nan 0.000 0.499 160 L N 1.619 122.858 121.223 0.027 0.000 2.362 160 L HA -0.073 4.267 4.340 -0.000 0.000 0.219 160 L C 1.783 178.610 176.870 -0.072 0.000 1.134 160 L CA 0.983 55.810 54.840 -0.021 0.000 0.807 160 L CB -0.706 41.336 42.059 -0.029 0.000 0.927 160 L HN 0.631 nan 8.230 nan 0.000 0.447 161 D N 0.212 120.591 120.400 -0.034 0.000 2.149 161 D HA -0.167 4.473 4.640 -0.000 0.000 0.198 161 D C 1.402 177.670 176.300 -0.054 0.000 0.990 161 D CA 1.125 55.102 54.000 -0.038 0.000 0.839 161 D CB -0.108 40.699 40.800 0.012 0.000 0.948 161 D HN 0.284 nan 8.370 nan 0.000 0.460 162 N N -0.257 118.448 118.700 0.009 0.000 2.214 162 N HA 0.092 4.832 4.740 -0.000 0.000 0.214 162 N C -0.552 175.044 175.510 0.144 0.000 1.132 162 N CA 0.058 53.211 53.050 0.173 0.000 0.856 162 N CB 0.906 39.509 38.487 0.194 0.000 1.020 162 N HN -0.074 nan 8.380 nan 0.000 0.509 163 S N 0.900 116.526 115.700 -0.123 0.000 2.489 163 S HA 0.431 4.901 4.470 -0.000 0.000 0.277 163 S C -0.646 173.773 174.600 -0.300 0.000 1.230 163 S CA -0.195 57.973 58.200 -0.054 0.000 1.053 163 S CB 0.494 63.679 63.200 -0.026 0.000 0.955 163 S HN 0.150 nan 8.310 nan 0.000 0.488 164 Y N 0.367 120.727 120.300 0.101 0.000 2.857 164 Y HA 0.736 5.286 4.550 -0.000 0.000 0.318 164 Y C 0.672 176.644 175.900 0.121 0.000 1.313 164 Y CA -0.824 57.344 58.100 0.115 0.000 1.117 164 Y CB 1.517 40.048 38.460 0.118 0.000 1.344 164 Y HN 0.536 nan 8.280 nan 0.000 0.525 165 T N 0.436 115.183 114.554 0.321 0.000 2.816 165 T HA 0.758 5.107 4.350 -0.000 0.000 0.299 165 T C -1.497 173.345 174.700 0.236 0.000 1.230 165 T CA -0.680 61.556 62.100 0.227 0.000 1.007 165 T CB 0.954 69.931 68.868 0.183 0.000 1.289 165 T HN 0.519 nan 8.240 nan 0.000 0.508 166 M N 1.827 121.539 119.600 0.187 0.000 2.593 166 M HA 0.538 5.018 4.480 -0.000 0.000 0.290 166 M C -1.548 174.868 176.300 0.194 0.000 1.244 166 M CA -0.860 54.556 55.300 0.195 0.000 0.857 166 M CB 2.493 35.174 32.600 0.136 0.000 1.738 166 M HN 0.602 nan 8.290 nan 0.000 0.461 167 F N 1.249 121.201 119.950 0.004 0.000 2.405 167 F HA 0.541 5.068 4.527 -0.000 0.000 0.355 167 F C -0.597 175.118 175.800 -0.143 0.000 1.121 167 F CA -0.086 57.833 58.000 -0.135 0.000 1.112 167 F CB 0.956 39.662 39.000 -0.491 0.000 1.126 167 F HN 0.443 nan 8.300 nan 0.000 0.481 168 T N 5.639 119.804 114.554 -0.647 0.000 2.859 168 T HA 0.760 5.110 4.350 -0.000 0.000 0.281 168 T C -0.608 173.536 174.700 -0.927 0.000 1.005 168 T CA -0.567 61.165 62.100 -0.612 0.000 1.025 168 T CB 1.392 70.042 68.868 -0.364 0.000 0.977 168 T HN 0.765 nan 8.240 nan 0.000 0.458 169 A N 3.185 125.420 122.820 -0.975 0.000 2.330 169 A HA 0.806 5.126 4.320 -0.000 0.000 0.313 169 A C -0.627 176.505 177.584 -0.753 0.000 1.124 169 A CA -0.741 50.627 52.037 -1.115 0.000 0.774 169 A CB 0.427 18.117 19.000 -2.183 0.000 1.198 169 A HN 0.848 nan 8.150 nan 0.000 0.465 170 I N 1.487 121.716 120.570 -0.569 0.000 2.433 170 I HA 0.218 4.388 4.170 -0.000 0.000 0.292 170 I C -0.626 175.254 176.117 -0.396 0.000 1.001 170 I CA -0.719 60.332 61.300 -0.415 0.000 1.119 170 I CB 2.129 39.916 38.000 -0.356 0.000 1.289 170 I HN 0.731 nan 8.210 nan 0.000 0.438 171 D N 4.724 124.928 120.400 -0.327 0.000 2.363 171 D HA 0.209 4.849 4.640 -0.000 0.000 0.263 171 D C 1.092 177.209 176.300 -0.305 0.000 1.258 171 D CA 0.229 54.021 54.000 -0.346 0.000 0.907 171 D CB 1.425 42.071 40.800 -0.256 0.000 1.107 171 D HN 0.637 nan 8.370 nan 0.000 0.495 172 A N 4.832 127.435 122.820 -0.361 0.000 1.903 172 A HA -0.240 4.080 4.320 -0.000 0.000 0.219 172 A C 1.938 179.449 177.584 -0.121 0.000 1.191 172 A CA 1.304 53.167 52.037 -0.289 0.000 0.638 172 A CB -0.417 18.421 19.000 -0.269 0.000 0.823 172 A HN 0.665 nan 8.150 nan 0.000 0.451 173 E N -0.955 119.183 120.200 -0.102 0.000 2.274 173 E HA -0.064 4.286 4.350 -0.000 0.000 0.194 173 E C 1.435 177.981 176.600 -0.090 0.000 0.996 173 E CA 1.508 57.875 56.400 -0.054 0.000 0.840 173 E CB -0.254 29.440 29.700 -0.010 0.000 0.772 173 E HN 0.663 nan 8.360 nan 0.000 0.491 174 T N -0.386 114.102 114.554 -0.109 0.000 2.959 174 T HA 0.112 4.462 4.350 -0.000 0.000 0.254 174 T C 0.777 175.424 174.700 -0.088 0.000 1.003 174 T CA -0.235 61.812 62.100 -0.088 0.000 0.950 174 T CB 0.496 69.316 68.868 -0.080 0.000 1.090 174 T HN -0.055 nan 8.240 nan 0.000 0.503 175 M N 1.592 121.129 119.600 -0.105 0.000 2.818 175 M HA -0.130 4.350 4.480 -0.000 0.000 0.194 175 M C -1.328 174.926 176.300 -0.076 0.000 0.586 175 M CA 0.664 55.915 55.300 -0.081 0.000 0.664 175 M CB -1.787 30.787 32.600 -0.045 0.000 2.418 175 M HN 0.213 nan 8.290 nan 0.000 0.517 176 D N 0.168 120.511 120.400 -0.095 0.000 2.168 176 D HA 0.490 5.129 4.640 -0.000 0.000 0.246 176 D C 0.083 176.307 176.300 -0.127 0.000 1.050 176 D CA -0.332 53.618 54.000 -0.083 0.000 0.857 176 D CB 1.782 42.543 40.800 -0.066 0.000 1.169 176 D HN -0.031 nan 8.370 nan 0.000 0.453 177 V N 2.369 122.210 119.914 -0.121 0.000 2.540 177 V HA 0.092 4.212 4.120 -0.000 0.000 0.297 177 V C 1.383 177.367 176.094 -0.182 0.000 1.024 177 V CA 0.266 62.460 62.300 -0.176 0.000 1.105 177 V CB 0.833 32.571 31.823 -0.142 0.000 0.938 177 V HN 0.743 nan 8.190 nan 0.000 0.482 178 A N 6.202 128.854 122.820 -0.281 0.000 1.861 178 A HA 0.236 4.556 4.320 -0.000 0.000 0.212 178 A C 0.679 178.198 177.584 -0.108 0.000 1.199 178 A CA 0.936 52.843 52.037 -0.216 0.000 0.613 178 A CB 0.260 19.102 19.000 -0.264 0.000 0.846 178 A HN 0.981 nan 8.150 nan 0.000 0.446 179 W N -2.732 118.481 121.300 -0.145 0.000 3.057 179 W HA 0.585 5.245 4.660 -0.000 0.000 0.328 179 W C -1.782 174.620 176.519 -0.195 0.000 1.232 179 W CA -0.827 56.396 57.345 -0.203 0.000 1.187 179 W CB 0.248 29.570 29.460 -0.230 0.000 1.417 179 W HN 0.101 nan 8.180 nan 0.000 0.569 180 Q N 1.043 120.985 119.800 0.237 0.000 2.394 180 Q HA 0.629 4.969 4.340 -0.000 0.000 0.273 180 Q C -1.225 174.904 176.000 0.214 0.000 1.089 180 Q CA -1.178 54.715 55.803 0.151 0.000 0.812 180 Q CB 3.462 32.225 28.738 0.043 0.000 1.353 180 Q HN 0.267 nan 8.270 nan 0.000 0.438 181 V N 2.986 123.033 119.914 0.222 0.000 2.444 181 V HA 0.403 4.523 4.120 -0.000 0.000 0.294 181 V C -0.115 176.118 176.094 0.231 0.000 1.022 181 V CA -0.647 61.770 62.300 0.195 0.000 0.850 181 V CB 1.355 33.304 31.823 0.211 0.000 0.992 181 V HN 0.638 nan 8.190 nan 0.000 0.426 182 I N 5.593 126.280 120.570 0.195 0.000 2.696 182 I HA 0.469 4.639 4.170 -0.000 0.000 0.284 182 I C 0.186 176.478 176.117 0.292 0.000 1.129 182 I CA -0.027 61.396 61.300 0.206 0.000 1.410 182 I CB 1.011 39.075 38.000 0.108 0.000 1.399 182 I HN 0.548 nan 8.210 nan 0.000 0.579 183 V N 0.976 121.096 119.914 0.343 0.000 3.181 183 V HA 0.564 4.684 4.120 -0.000 0.000 0.308 183 V C -0.918 175.456 176.094 0.467 0.000 1.214 183 V CA -1.027 61.524 62.300 0.417 0.000 1.053 183 V CB 2.051 34.126 31.823 0.421 0.000 1.069 183 V HN 0.565 nan 8.190 nan 0.000 0.441 184 D N 0.432 121.152 120.400 0.534 0.000 2.348 184 D HA 0.604 5.244 4.640 -0.000 0.000 0.249 184 D C 0.883 177.580 176.300 0.663 0.000 1.110 184 D CA 1.354 55.665 54.000 0.519 0.000 0.967 184 D CB 1.483 42.478 40.800 0.325 0.000 1.139 184 D HN 1.442 nan 8.370 nan 0.000 0.466 185 G N 1.546 110.615 108.800 0.448 0.000 2.583 185 G HA2 -0.284 3.675 3.960 -0.000 0.000 0.292 185 G HA3 -0.284 3.675 3.960 -0.000 0.000 0.292 185 G C 0.103 175.081 174.900 0.131 0.000 1.203 185 G CA 0.821 46.048 45.100 0.211 0.000 0.987 185 G HN 0.865 nan 8.290 nan 0.000 0.554 186 N N -2.098 116.622 118.700 0.032 0.000 3.343 186 N HA 0.749 5.489 4.740 -0.000 0.000 0.330 186 N C -1.084 174.453 175.510 0.045 0.000 1.560 186 N CA -1.209 51.843 53.050 0.003 0.000 0.752 186 N CB 1.511 39.889 38.487 -0.182 0.000 1.863 186 N HN 0.708 nan 8.380 nan 0.000 0.636 187 L N -0.405 120.838 121.223 0.033 0.000 2.431 187 L HA 0.392 4.732 4.340 -0.000 0.000 0.266 187 L C -0.407 176.536 176.870 0.121 0.000 0.978 187 L CA -0.648 54.257 54.840 0.107 0.000 0.822 187 L CB 2.030 44.208 42.059 0.199 0.000 1.310 187 L HN 0.745 nan 8.230 nan 0.000 0.409 188 D N 0.753 121.258 120.400 0.174 0.000 2.949 188 D HA 0.179 4.819 4.640 -0.000 0.000 0.247 188 D C -0.188 176.229 176.300 0.195 0.000 1.552 188 D CA 0.405 54.597 54.000 0.320 0.000 1.231 188 D CB 0.706 41.727 40.800 0.369 0.000 0.990 188 D HN 0.542 nan 8.370 nan 0.000 0.270 189 N N -1.030 117.700 118.700 0.051 0.000 2.432 189 N HA 0.496 5.236 4.740 -0.000 0.000 0.292 189 N C -0.818 174.685 175.510 -0.013 0.000 1.193 189 N CA -0.395 52.605 53.050 -0.083 0.000 0.878 189 N CB 2.367 40.773 38.487 -0.134 0.000 1.252 189 N HN 0.052 nan 8.380 nan 0.000 0.520 190 T N -1.083 113.455 114.554 -0.027 0.000 2.841 190 T HA 0.527 4.877 4.350 -0.000 0.000 0.296 190 T C -2.103 172.624 174.700 0.045 0.000 1.166 190 T CA -0.486 61.636 62.100 0.037 0.000 1.007 190 T CB 1.374 70.341 68.868 0.165 0.000 1.253 190 T HN 0.403 nan 8.240 nan 0.000 0.511 191 D N -0.673 119.773 120.400 0.077 0.000 2.710 191 D HA 0.630 5.270 4.640 -0.000 0.000 0.276 191 D C -1.507 174.935 176.300 0.237 0.000 1.267 191 D CA -0.195 53.909 54.000 0.173 0.000 0.772 191 D CB 2.126 43.090 40.800 0.274 0.000 1.299 191 D HN 0.890 nan 8.370 nan 0.000 0.421 192 A N 0.654 123.677 122.820 0.339 0.000 2.430 192 A HA 0.691 5.010 4.320 -0.000 0.000 0.300 192 A C -0.486 177.349 177.584 0.420 0.000 1.124 192 A CA -0.509 51.754 52.037 0.375 0.000 0.766 192 A CB 1.312 20.505 19.000 0.321 0.000 1.328 192 A HN 0.566 nan 8.150 nan 0.000 0.424 193 D N -1.051 119.590 120.400 0.401 0.000 2.425 193 D HA 0.226 4.866 4.640 -0.000 0.000 0.274 193 D C -0.599 175.808 176.300 0.179 0.000 1.242 193 D CA 0.143 54.266 54.000 0.204 0.000 1.060 193 D CB 0.015 40.938 40.800 0.205 0.000 1.112 193 D HN 0.339 nan 8.370 nan 0.000 0.561 194 Y N -1.544 118.746 120.300 -0.017 0.000 2.774 194 Y HA 0.272 4.822 4.550 -0.000 0.000 0.305 194 Y C 1.143 177.050 175.900 0.010 0.000 1.067 194 Y CA -0.017 58.080 58.100 -0.005 0.000 1.304 194 Y CB 0.188 38.616 38.460 -0.054 0.000 1.209 194 Y HN 0.601 nan 8.280 nan 0.000 0.543 195 T N -6.711 107.919 114.554 0.126 0.000 3.105 195 T HA 0.384 4.734 4.350 -0.000 0.000 0.257 195 T C 1.641 176.375 174.700 0.057 0.000 0.949 195 T CA 0.593 62.741 62.100 0.079 0.000 0.959 195 T CB 0.367 69.274 68.868 0.065 0.000 1.205 195 T HN 0.269 nan 8.240 nan 0.000 0.496 196 G N 1.620 110.467 108.800 0.077 0.000 2.179 196 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.220 196 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.220 196 G C 0.655 175.580 174.900 0.041 0.000 0.990 196 G CA 0.629 45.791 45.100 0.104 0.000 0.646 196 G HN 0.709 nan 8.290 nan 0.000 0.517 197 K N -0.867 119.472 120.400 -0.102 0.000 2.284 197 K HA 0.331 4.651 4.320 -0.000 0.000 0.198 197 K C 0.092 176.349 176.600 -0.573 0.000 1.048 197 K CA 0.407 56.454 56.287 -0.401 0.000 0.987 197 K CB 0.138 32.241 32.500 -0.662 0.000 0.800 197 K HN 0.365 nan 8.250 nan 0.000 0.486 198 Y N -0.506 119.827 120.300 0.054 0.000 2.536 198 Y HA 0.617 5.167 4.550 -0.000 0.000 0.347 198 Y C -0.611 175.317 175.900 0.047 0.000 1.000 198 Y CA -1.313 56.809 58.100 0.036 0.000 1.051 198 Y CB 2.309 40.842 38.460 0.123 0.000 1.259 198 Y HN -0.070 nan 8.280 nan 0.000 0.468 199 A N 1.156 124.011 122.820 0.059 0.000 2.437 199 A HA 0.734 5.054 4.320 -0.000 0.000 0.293 199 A C -0.854 176.578 177.584 -0.253 0.000 1.038 199 A CA -0.650 51.280 52.037 -0.179 0.000 0.708 199 A CB 0.920 19.509 19.000 -0.684 0.000 1.251 199 A HN 0.735 nan 8.150 nan 0.000 0.409 200 T N -0.715 113.577 114.554 -0.437 0.000 2.887 200 T HA 0.853 5.202 4.350 -0.000 0.000 0.288 200 T C -0.188 174.332 174.700 -0.299 0.000 1.021 200 T CA -0.595 61.180 62.100 -0.541 0.000 1.000 200 T CB 1.644 69.920 68.868 -0.987 0.000 1.034 200 T HN 0.645 nan 8.240 nan 0.000 0.467 201 S N 1.167 116.716 115.700 -0.251 0.000 2.570 201 S HA 0.807 5.277 4.470 -0.000 0.000 0.286 201 S C 0.189 174.757 174.600 -0.053 0.000 1.099 201 S CA -0.956 57.200 58.200 -0.074 0.000 0.913 201 S CB 1.928 65.165 63.200 0.063 0.000 1.085 201 S HN 1.127 nan 8.310 nan 0.000 0.480 202 T N -1.642 112.920 114.554 0.013 0.000 2.897 202 T HA 0.717 5.067 4.350 -0.000 0.000 0.278 202 T C -0.207 174.521 174.700 0.047 0.000 0.981 202 T CA -0.791 61.331 62.100 0.036 0.000 0.973 202 T CB 1.140 70.038 68.868 0.050 0.000 1.092 202 T HN 0.790 nan 8.240 nan 0.000 0.543 203 C N 2.295 121.580 119.300 -0.026 0.000 2.782 203 C HA 0.701 5.161 4.460 -0.000 0.000 0.328 203 C C -0.184 174.686 174.990 -0.200 0.000 1.145 203 C CA -0.765 58.145 59.018 -0.180 0.000 1.358 203 C CB -0.207 27.288 27.740 -0.407 0.000 1.841 203 C HN 1.060 nan 8.230 nan 0.000 0.477 204 Y N 2.901 123.117 120.300 -0.141 0.000 2.527 204 Y HA 0.524 5.074 4.550 -0.000 0.000 0.247 204 Y C 0.534 176.348 175.900 -0.144 0.000 1.138 204 Y CA -0.128 57.894 58.100 -0.129 0.000 1.228 204 Y CB -0.239 38.199 38.460 -0.036 0.000 1.252 204 Y HN 0.544 nan 8.280 nan 0.000 0.531 205 N N 1.322 119.701 118.700 -0.535 0.000 2.696 205 N HA 0.078 4.818 4.740 -0.000 0.000 0.308 205 N C 0.553 175.876 175.510 -0.310 0.000 1.915 205 N CA 0.666 53.509 53.050 -0.344 0.000 0.906 205 N CB 0.490 38.735 38.487 -0.402 0.000 1.284 205 N HN 0.397 nan 8.380 nan 0.000 0.488 206 S N -0.619 114.819 115.700 -0.437 0.000 2.547 206 S HA -0.043 4.427 4.470 -0.000 0.000 0.235 206 S C 0.975 175.468 174.600 -0.177 0.000 0.980 206 S CA 0.692 58.576 58.200 -0.526 0.000 0.941 206 S CB 0.054 62.555 63.200 -1.165 0.000 0.763 206 S HN 0.274 nan 8.310 nan 0.000 0.532 207 E N 1.052 121.169 120.200 -0.138 0.000 2.447 207 E HA 0.259 4.609 4.350 -0.000 0.000 0.195 207 E C 0.439 177.007 176.600 -0.054 0.000 1.028 207 E CA -0.203 56.159 56.400 -0.064 0.000 0.876 207 E CB -0.236 29.433 29.700 -0.052 0.000 0.885 207 E HN 0.407 nan 8.360 nan 0.000 0.500 208 R N -0.286 120.170 120.500 -0.073 0.000 3.516 208 R HA -0.202 4.138 4.340 -0.000 0.000 0.271 208 R C -0.462 175.804 176.300 -0.058 0.000 1.098 208 R CA 0.433 56.490 56.100 -0.072 0.000 0.732 208 R CB -2.193 28.051 30.300 -0.094 0.000 1.152 208 R HN 0.245 nan 8.270 nan 0.000 0.455 209 A N -0.441 122.353 122.820 -0.044 0.000 2.269 209 A HA 0.604 4.924 4.320 -0.000 0.000 0.327 209 A C 0.835 178.399 177.584 -0.033 0.000 1.112 209 A CA -0.125 51.892 52.037 -0.034 0.000 0.865 209 A CB 1.709 20.695 19.000 -0.025 0.000 1.227 209 A HN 0.082 nan 8.150 nan 0.000 0.498 210 V N 0.115 120.005 119.914 -0.040 0.000 2.788 210 V HA 0.074 4.193 4.120 -0.000 0.000 0.241 210 V C 0.601 176.668 176.094 -0.046 0.000 1.083 210 V CA 1.353 63.618 62.300 -0.058 0.000 1.103 210 V CB -0.459 31.320 31.823 -0.074 0.000 0.800 210 V HN 0.975 nan 8.190 nan 0.000 0.476 211 D N 0.417 120.796 120.400 -0.035 0.000 2.399 211 D HA -0.055 4.585 4.640 -0.000 0.000 0.241 211 D C 1.344 177.632 176.300 -0.021 0.000 1.133 211 D CA 0.018 54.001 54.000 -0.029 0.000 0.890 211 D CB 1.542 42.327 40.800 -0.024 0.000 1.201 211 D HN 0.325 nan 8.370 nan 0.000 0.432 212 L N 1.951 123.160 121.223 -0.023 0.000 2.012 212 L HA -0.268 4.072 4.340 -0.000 0.000 0.210 212 L C 2.607 179.468 176.870 -0.016 0.000 1.073 212 L CA 2.006 56.834 54.840 -0.021 0.000 0.748 212 L CB -0.496 41.546 42.059 -0.028 0.000 0.891 212 L HN 0.687 nan 8.230 nan 0.000 0.431 213 A N -0.355 122.456 122.820 -0.016 0.000 1.908 213 A HA -0.186 4.134 4.320 -0.000 0.000 0.218 213 A C 2.243 179.821 177.584 -0.011 0.000 1.181 213 A CA 1.758 53.787 52.037 -0.013 0.000 0.627 213 A CB -1.260 17.733 19.000 -0.012 0.000 0.818 213 A HN 0.541 nan 8.150 nan 0.000 0.445 214 G N -0.859 107.934 108.800 -0.011 0.000 2.484 214 G HA2 -0.092 3.868 3.960 -0.000 0.000 0.218 214 G HA3 -0.092 3.868 3.960 -0.000 0.000 0.218 214 G C 1.562 176.457 174.900 -0.009 0.000 1.130 214 G CA 1.727 46.820 45.100 -0.011 0.000 0.784 214 G HN 0.708 nan 8.290 nan 0.000 0.543 215 T N -2.045 112.512 114.554 0.005 0.000 3.088 215 T HA 0.189 4.539 4.350 -0.000 0.000 0.259 215 T C 1.977 176.691 174.700 0.022 0.000 1.122 215 T CA 0.526 62.645 62.100 0.032 0.000 1.095 215 T CB -0.087 68.837 68.868 0.095 0.000 0.930 215 T HN 0.266 nan 8.240 nan 0.000 0.508 216 M N -0.624 118.976 119.600 0.000 0.000 2.306 216 M HA 0.406 4.886 4.480 -0.000 0.000 0.292 216 M C 2.158 178.449 176.300 -0.014 0.000 1.018 216 M CA -0.433 54.861 55.300 -0.009 0.000 1.007 216 M CB 0.303 32.894 32.600 -0.015 0.000 1.510 216 M HN 0.051 nan 8.290 nan 0.000 0.537 217 R N 1.880 122.371 120.500 -0.015 0.000 2.132 217 R HA -0.116 4.224 4.340 -0.000 0.000 0.233 217 R C 0.182 176.474 176.300 -0.013 0.000 1.125 217 R CA 1.606 57.698 56.100 -0.013 0.000 0.914 217 R CB -0.197 30.095 30.300 -0.013 0.000 0.845 217 R HN 0.345 nan 8.270 nan 0.000 0.431 218 N N 1.791 120.478 118.700 -0.021 0.000 2.458 218 N HA -0.065 4.675 4.740 -0.000 0.000 0.258 218 N C 0.052 175.554 175.510 -0.014 0.000 1.219 218 N CA 0.362 53.402 53.050 -0.016 0.000 0.902 218 N CB 0.612 39.082 38.487 -0.028 0.000 1.076 218 N HN 0.246 nan 8.380 nan 0.000 0.455 219 D N 1.264 121.663 120.400 -0.002 0.000 2.312 219 D HA -0.038 4.601 4.640 -0.000 0.000 0.211 219 D C 0.186 176.488 176.300 0.002 0.000 0.964 219 D CA 1.182 55.182 54.000 0.001 0.000 0.877 219 D CB 0.561 41.366 40.800 0.008 0.000 0.924 219 D HN 0.385 nan 8.370 nan 0.000 0.515 220 R N 0.241 120.744 120.500 0.005 0.000 2.673 220 R HA 0.280 4.620 4.340 -0.000 0.000 0.281 220 R C -0.362 175.928 176.300 -0.016 0.000 0.991 220 R CA -0.597 55.511 56.100 0.014 0.000 0.896 220 R CB 2.551 32.882 30.300 0.052 0.000 1.201 220 R HN -0.111 nan 8.270 nan 0.000 0.457 221 D N 0.553 120.919 120.400 -0.057 0.000 2.574 221 D HA 0.444 5.084 4.640 -0.000 0.000 0.210 221 D C -0.523 175.769 176.300 -0.013 0.000 1.277 221 D CA 0.077 53.926 54.000 -0.252 0.000 1.121 221 D CB 0.892 41.487 40.800 -0.341 0.000 1.192 221 D HN 0.385 nan 8.370 nan 0.000 0.602 222 W N -1.160 120.157 121.300 0.029 0.000 2.881 222 W HA 0.554 5.214 4.660 -0.000 0.000 0.380 222 W C -2.178 174.305 176.519 -0.061 0.000 1.170 222 W CA -0.871 56.473 57.345 -0.001 0.000 1.171 222 W CB 0.232 29.718 29.460 0.045 0.000 1.464 222 W HN -0.034 nan 8.180 nan 0.000 0.574 223 V N 2.809 122.900 119.914 0.294 0.000 2.357 223 V HA 0.376 4.495 4.120 -0.000 0.000 0.281 223 V C -0.377 175.610 176.094 -0.179 0.000 1.015 223 V CA -1.000 61.327 62.300 0.046 0.000 0.827 223 V CB 1.013 32.813 31.823 -0.038 0.000 1.018 223 V HN 0.505 nan 8.190 nan 0.000 0.432 224 V N 6.305 126.022 119.914 -0.327 0.000 2.479 224 V HA 0.194 4.314 4.120 -0.000 0.000 0.281 224 V C 0.352 175.847 176.094 -1.000 0.000 1.031 224 V CA -0.068 61.685 62.300 -0.912 0.000 1.038 224 V CB 1.194 32.352 31.823 -1.107 0.000 0.981 224 V HN 0.543 nan 8.190 nan 0.000 0.478 225 V N 6.061 125.480 119.914 -0.826 0.000 2.539 225 V HA 0.504 4.624 4.120 -0.000 0.000 0.292 225 V C -0.360 175.393 176.094 -0.567 0.000 1.045 225 V CA -0.398 61.561 62.300 -0.569 0.000 0.945 225 V CB 1.421 33.135 31.823 -0.182 0.000 0.993 225 V HN 0.640 nan 8.190 nan 0.000 0.464 226 F N 2.413 122.279 119.950 -0.139 0.000 2.482 226 F HA 0.420 4.947 4.527 -0.000 0.000 0.331 226 F C 0.514 176.291 175.800 -0.039 0.000 1.115 226 F CA -0.825 57.112 58.000 -0.106 0.000 0.955 226 F CB 1.347 40.144 39.000 -0.338 0.000 1.136 226 F HN 0.373 nan 8.300 nan 0.000 0.452 227 N N 3.172 121.925 118.700 0.088 0.000 2.767 227 N HA 0.136 4.875 4.740 -0.000 0.000 0.238 227 N C 0.945 176.389 175.510 -0.111 0.000 1.083 227 N CA 0.080 53.020 53.050 -0.183 0.000 0.964 227 N CB 0.976 39.215 38.487 -0.413 0.000 1.252 227 N HN 0.471 nan 8.380 nan 0.000 0.512 228 V N 2.714 122.560 119.914 -0.114 0.000 2.282 228 V HA -0.268 3.851 4.120 -0.000 0.000 0.249 228 V C 2.286 178.308 176.094 -0.119 0.000 1.057 228 V CA 1.865 64.122 62.300 -0.071 0.000 1.032 228 V CB -0.579 31.261 31.823 0.029 0.000 0.645 228 V HN 0.657 nan 8.190 nan 0.000 0.447 229 E N -0.075 120.038 120.200 -0.145 0.000 2.097 229 E HA -0.264 4.086 4.350 -0.000 0.000 0.196 229 E C 2.479 179.037 176.600 -0.072 0.000 1.000 229 E CA 1.617 57.955 56.400 -0.103 0.000 0.804 229 E CB -0.047 29.558 29.700 -0.159 0.000 0.740 229 E HN 0.540 nan 8.360 nan 0.000 0.454 230 R N -0.214 120.253 120.500 -0.055 0.000 2.075 230 R HA 0.010 4.349 4.340 -0.000 0.000 0.226 230 R C 2.500 178.838 176.300 0.062 0.000 1.114 230 R CA 1.117 57.265 56.100 0.079 0.000 0.972 230 R CB -0.128 30.285 30.300 0.188 0.000 0.869 230 R HN 0.282 nan 8.270 nan 0.000 0.437 231 I N 0.603 121.058 120.570 -0.191 0.000 2.315 231 I HA -0.222 3.947 4.170 -0.000 0.000 0.248 231 I C 2.545 178.216 176.117 -0.743 0.000 1.117 231 I CA 1.124 61.978 61.300 -0.743 0.000 1.404 231 I CB -0.395 36.962 38.000 -1.072 0.000 1.071 231 I HN 0.165 nan 8.210 nan 0.000 0.419 232 A N 0.929 123.470 122.820 -0.465 0.000 1.873 232 A HA -0.071 4.249 4.320 -0.000 0.000 0.215 232 A C 2.573 180.092 177.584 -0.108 0.000 1.186 232 A CA 1.631 53.524 52.037 -0.240 0.000 0.616 232 A CB -0.786 18.232 19.000 0.029 0.000 0.823 232 A HN 0.397 nan 8.150 nan 0.000 0.442 233 A N -0.131 122.656 122.820 -0.054 0.000 1.933 233 A HA 0.173 4.493 4.320 -0.000 0.000 0.218 233 A C 2.460 180.057 177.584 0.022 0.000 1.175 233 A CA 2.007 54.049 52.037 0.008 0.000 0.628 233 A CB -0.915 18.102 19.000 0.029 0.000 0.814 233 A HN 0.990 nan 8.150 nan 0.000 0.444 234 A N -0.472 122.349 122.820 0.002 0.000 1.858 234 A HA -0.021 4.299 4.320 -0.000 0.000 0.216 234 A C 2.214 179.833 177.584 0.059 0.000 1.190 234 A CA 1.838 53.907 52.037 0.053 0.000 0.617 234 A CB -0.999 18.015 19.000 0.024 0.000 0.827 234 A HN 0.415 nan 8.150 nan 0.000 0.443 235 V N 0.407 120.295 119.914 -0.044 0.000 2.407 235 V HA -0.253 3.867 4.120 -0.000 0.000 0.248 235 V C 2.527 178.743 176.094 0.204 0.000 1.055 235 V CA 2.329 64.685 62.300 0.093 0.000 1.049 235 V CB -0.672 31.045 31.823 -0.176 0.000 0.662 235 V HN 0.697 nan 8.190 nan 0.000 0.455 236 K N 0.535 120.996 120.400 0.101 0.000 2.211 236 K HA -0.085 4.235 4.320 -0.000 0.000 0.203 236 K C 1.942 178.606 176.600 0.107 0.000 1.050 236 K CA 1.317 57.669 56.287 0.108 0.000 0.945 236 K CB -0.200 32.344 32.500 0.073 0.000 0.732 236 K HN 0.450 nan 8.250 nan 0.000 0.451 237 A N 0.187 123.064 122.820 0.094 0.000 2.206 237 A HA 0.162 4.482 4.320 -0.000 0.000 0.211 237 A C 1.381 178.988 177.584 0.039 0.000 1.158 237 A CA 0.898 52.971 52.037 0.062 0.000 0.761 237 A CB -0.409 18.624 19.000 0.054 0.000 0.801 237 A HN 0.549 nan 8.150 nan 0.000 0.473 238 G N -0.581 108.270 108.800 0.085 0.000 2.143 238 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.249 238 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.249 238 G C -0.104 174.578 174.900 -0.363 0.000 0.981 238 G CA 0.112 45.140 45.100 -0.120 0.000 0.665 238 G HN 0.463 nan 8.290 nan 0.000 0.528 239 N N 0.788 119.441 118.700 -0.079 0.000 2.807 239 N HA 0.559 5.299 4.740 -0.000 0.000 0.259 239 N C -0.169 175.382 175.510 0.068 0.000 1.149 239 N CA 0.818 53.837 53.050 -0.052 0.000 1.042 239 N CB -0.193 38.330 38.487 0.061 0.000 1.367 239 N HN 0.676 nan 8.380 nan 0.000 0.516 240 F N -1.181 118.774 119.950 0.008 0.000 3.122 240 F HA 0.579 5.106 4.527 -0.000 0.000 0.325 240 F C -1.100 174.706 175.800 0.010 0.000 1.162 240 F CA -1.217 56.781 58.000 -0.002 0.000 0.876 240 F CB 1.191 40.174 39.000 -0.028 0.000 1.429 240 F HN -0.223 nan 8.300 nan 0.000 0.484 241 K N -0.401 120.242 120.400 0.406 0.000 2.399 241 K HA 0.772 5.092 4.320 -0.000 0.000 0.260 241 K C -1.438 175.339 176.600 0.295 0.000 1.049 241 K CA -0.807 55.633 56.287 0.254 0.000 0.890 241 K CB 2.503 35.074 32.500 0.119 0.000 1.430 241 K HN 0.928 nan 8.250 nan 0.000 0.459 242 T N -1.662 113.001 114.554 0.182 0.000 2.916 242 T HA 0.698 5.048 4.350 -0.000 0.000 0.292 242 T C -0.324 174.428 174.700 0.086 0.000 1.055 242 T CA -0.826 61.355 62.100 0.135 0.000 1.009 242 T CB 0.867 69.814 68.868 0.133 0.000 1.118 242 T HN 0.393 nan 8.240 nan 0.000 0.497 243 I N 1.389 122.000 120.570 0.069 0.000 2.530 243 I HA 0.603 4.773 4.170 -0.000 0.000 0.297 243 I C 1.346 177.494 176.117 0.052 0.000 1.011 243 I CA -0.535 60.799 61.300 0.057 0.000 1.107 243 I CB 1.445 39.479 38.000 0.057 0.000 1.285 243 I HN 1.160 nan 8.210 nan 0.000 0.436 244 G N 4.709 113.538 108.800 0.048 0.000 2.614 244 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.303 244 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.303 244 G C 0.346 175.270 174.900 0.040 0.000 1.270 244 G CA 0.611 45.737 45.100 0.044 0.000 0.988 244 G HN 0.699 nan 8.290 nan 0.000 0.551 245 D N 0.569 120.991 120.400 0.036 0.000 2.349 245 D HA 0.211 4.851 4.640 -0.000 0.000 0.215 245 D C 1.381 177.700 176.300 0.031 0.000 1.016 245 D CA 0.923 54.942 54.000 0.031 0.000 0.870 245 D CB 0.243 41.059 40.800 0.026 0.000 0.917 245 D HN 0.403 nan 8.370 nan 0.000 0.524 246 S N 0.822 116.543 115.700 0.034 0.000 2.549 246 S HA 0.054 4.523 4.470 -0.000 0.000 0.279 246 S C 1.127 175.748 174.600 0.035 0.000 1.321 246 S CA -0.325 57.892 58.200 0.029 0.000 1.054 246 S CB 0.772 63.988 63.200 0.026 0.000 0.899 246 S HN -0.145 nan 8.310 nan 0.000 0.497 247 K N 3.052 123.469 120.400 0.028 0.000 2.374 247 K HA 0.179 4.499 4.320 -0.000 0.000 0.196 247 K C -0.089 176.520 176.600 0.014 0.000 1.023 247 K CA 0.048 56.360 56.287 0.041 0.000 1.103 247 K CB -0.144 32.380 32.500 0.039 0.000 0.848 247 K HN 0.457 nan 8.250 nan 0.000 0.528 248 V N 4.246 124.152 119.914 -0.014 0.000 2.529 248 V HA 0.025 4.145 4.120 -0.000 0.000 0.292 248 V C -2.232 173.784 176.094 -0.131 0.000 1.028 248 V CA -1.266 60.994 62.300 -0.068 0.000 1.074 248 V CB 0.123 31.916 31.823 -0.051 0.000 0.958 248 V HN 0.027 nan 8.190 nan 0.000 0.481 249 P HA 0.115 nan 4.420 nan 0.000 0.261 249 P C -0.711 176.429 177.300 -0.267 0.000 1.203 249 P CA 0.269 62.900 63.100 -0.782 0.000 0.767 249 P CB 0.377 31.315 31.700 -1.270 0.000 0.785 250 V N 5.563 125.439 119.914 -0.063 0.000 2.409 250 V HA 0.370 4.490 4.120 -0.000 0.000 0.291 250 V C 0.488 176.624 176.094 0.071 0.000 1.020 250 V CA -0.666 61.656 62.300 0.036 0.000 0.848 250 V CB 1.827 33.692 31.823 0.070 0.000 0.990 250 V HN 0.353 nan 8.190 nan 0.000 0.430 251 V N 0.823 120.733 119.914 -0.006 0.000 2.881 251 V HA 0.719 4.839 4.120 -0.000 0.000 0.316 251 V C -0.581 175.545 176.094 0.054 0.000 1.070 251 V CA -0.707 61.572 62.300 -0.036 0.000 0.976 251 V CB 2.152 33.729 31.823 -0.411 0.000 1.038 251 V HN 0.732 nan 8.190 nan 0.000 0.446 252 D N 1.653 122.147 120.400 0.157 0.000 2.193 252 D HA 0.605 5.245 4.640 -0.000 0.000 0.244 252 D C 0.532 177.018 176.300 0.310 0.000 1.064 252 D CA 0.237 54.347 54.000 0.184 0.000 0.845 252 D CB 2.000 42.877 40.800 0.130 0.000 1.148 252 D HN 0.953 nan 8.370 nan 0.000 0.464 253 G N 3.036 112.008 108.800 0.287 0.000 3.596 253 G HA2 0.076 4.036 3.960 -0.000 0.000 0.274 253 G HA3 0.076 4.036 3.960 -0.000 0.000 0.274 253 G C 0.602 175.677 174.900 0.291 0.000 1.007 253 G CA -0.285 45.025 45.100 0.350 0.000 0.825 253 G HN 0.310 nan 8.290 nan 0.000 0.508 254 R N 0.227 120.845 120.500 0.197 0.000 2.641 254 R HA 0.468 4.808 4.340 -0.000 0.000 0.269 254 R C 1.433 177.709 176.300 -0.039 0.000 1.074 254 R CA 0.817 56.980 56.100 0.105 0.000 1.133 254 R CB 0.563 30.919 30.300 0.093 0.000 1.029 254 R HN 0.304 nan 8.270 nan 0.000 0.488 255 G N 1.684 110.346 108.800 -0.230 0.000 2.596 255 G HA2 -0.370 3.590 3.960 -0.000 0.000 0.295 255 G HA3 -0.370 3.590 3.960 -0.000 0.000 0.295 255 G C -0.619 174.133 174.900 -0.248 0.000 1.240 255 G CA 0.008 44.943 45.100 -0.273 0.000 0.985 255 G HN 0.679 nan 8.290 nan 0.000 0.555 256 E N 1.039 121.140 120.200 -0.164 0.000 1.932 256 E HA 0.475 4.825 4.350 -0.000 0.000 0.275 256 E C 0.063 176.603 176.600 -0.100 0.000 1.159 256 E CA 0.347 56.664 56.400 -0.139 0.000 0.905 256 E CB 0.859 30.485 29.700 -0.124 0.000 1.059 256 E HN 0.502 nan 8.360 nan 0.000 0.400 257 S N 2.004 117.659 115.700 -0.075 0.000 2.607 257 S HA 0.123 4.593 4.470 -0.000 0.000 0.303 257 S C 0.825 175.345 174.600 -0.134 0.000 1.086 257 S CA -0.744 57.409 58.200 -0.078 0.000 0.995 257 S CB 1.168 64.412 63.200 0.074 0.000 1.084 257 S HN 0.630 nan 8.310 nan 0.000 0.507 258 E N 1.645 121.647 120.200 -0.331 0.000 2.478 258 E HA 0.017 4.367 4.350 -0.000 0.000 0.194 258 E C 0.231 176.783 176.600 -0.080 0.000 1.045 258 E CA 0.595 56.835 56.400 -0.266 0.000 0.868 258 E CB -0.202 29.236 29.700 -0.437 0.000 0.885 258 E HN 0.636 nan 8.360 nan 0.000 0.505 259 F N 2.153 122.218 119.950 0.191 0.000 2.374 259 F HA 0.130 4.657 4.527 -0.000 0.000 0.291 259 F C 1.529 177.539 175.800 0.350 0.000 1.084 259 F CA 0.649 58.774 58.000 0.208 0.000 1.413 259 F CB -0.168 38.899 39.000 0.112 0.000 1.099 259 F HN -0.022 nan 8.300 nan 0.000 0.534 260 T N -1.439 113.358 114.554 0.405 0.000 2.927 260 T HA 0.789 5.139 4.350 -0.000 0.000 0.286 260 T C -0.874 173.767 174.700 -0.098 0.000 1.040 260 T CA -0.828 61.363 62.100 0.152 0.000 1.010 260 T CB 2.694 71.548 68.868 -0.022 0.000 1.177 260 T HN -0.076 nan 8.240 nan 0.000 0.546 261 R N 0.359 120.664 120.500 -0.324 0.000 2.518 261 R HA 0.414 4.754 4.340 -0.000 0.000 0.287 261 R C -2.112 173.953 176.300 -0.391 0.000 1.135 261 R CA -0.598 55.251 56.100 -0.418 0.000 0.967 261 R CB 0.685 30.516 30.300 -0.782 0.000 1.212 261 R HN 0.721 nan 8.270 nan 0.000 0.422 262 Y N 4.558 124.572 120.300 -0.476 0.000 2.535 262 Y HA 0.382 4.932 4.550 -0.000 0.000 0.349 262 Y C 0.495 176.228 175.900 -0.278 0.000 0.992 262 Y CA -0.699 57.081 58.100 -0.532 0.000 1.248 262 Y CB 0.508 38.430 38.460 -0.898 0.000 1.124 262 Y HN 0.384 nan 8.280 nan 0.000 0.520 263 I N 6.681 127.209 120.570 -0.069 0.000 2.281 263 I HA 0.221 4.390 4.170 -0.000 0.000 0.293 263 I C -2.245 173.945 176.117 0.121 0.000 1.085 263 I CA -2.098 59.205 61.300 0.005 0.000 1.257 263 I CB 0.605 38.587 38.000 -0.031 0.000 1.430 263 I HN 0.288 nan 8.210 nan 0.000 0.489 264 P HA -0.022 nan 4.420 nan 0.000 0.260 264 P C -0.806 176.568 177.300 0.123 0.000 1.172 264 P CA 0.308 63.524 63.100 0.193 0.000 0.760 264 P CB 0.492 32.277 31.700 0.143 0.000 0.773 265 V N 6.144 126.127 119.914 0.115 0.000 2.760 265 V HA 0.369 4.489 4.120 -0.000 0.000 0.309 265 V C -2.235 173.879 176.094 0.033 0.000 1.077 265 V CA -2.360 59.976 62.300 0.060 0.000 0.910 265 V CB 2.224 34.079 31.823 0.053 0.000 1.008 265 V HN 0.464 nan 8.190 nan 0.000 0.424 266 P HA -0.035 nan 4.420 nan 0.000 0.261 266 P C -0.168 177.129 177.300 -0.004 0.000 1.183 266 P CA 0.181 63.285 63.100 0.007 0.000 0.761 266 P CB 0.247 31.948 31.700 0.001 0.000 0.785 267 K N 3.207 123.602 120.400 -0.009 0.000 3.602 267 K HA -0.254 4.066 4.320 -0.000 0.000 0.460 267 K C 0.302 176.895 176.600 -0.012 0.000 1.237 267 K CA 0.728 57.005 56.287 -0.016 0.000 0.976 267 K CB -0.837 31.653 32.500 -0.016 0.000 1.709 267 K HN 0.534 nan 8.250 nan 0.000 0.311 268 N N 0.149 118.848 118.700 -0.003 0.000 2.702 268 N HA -0.159 4.581 4.740 -0.000 0.000 0.261 268 N C -2.541 173.005 175.510 0.061 0.000 0.965 268 N CA 1.045 54.128 53.050 0.056 0.000 0.795 268 N CB -0.896 37.608 38.487 0.028 0.000 0.909 268 N HN 0.402 nan 8.380 nan 0.000 0.546 269 P HA -0.066 nan 4.420 nan 0.000 0.265 269 P C 0.508 177.890 177.300 0.137 0.000 1.187 269 P CA 0.497 63.634 63.100 0.061 0.000 0.766 269 P CB 0.962 32.685 31.700 0.038 0.000 0.820 270 H N 2.831 121.883 119.070 -0.030 0.000 2.587 270 H HA 0.318 4.873 4.556 -0.000 0.000 0.312 270 H C 1.078 176.394 175.328 -0.021 0.000 1.314 270 H CA 1.067 57.092 56.048 -0.039 0.000 1.962 270 H CB -0.538 29.117 29.762 -0.178 0.000 1.536 270 H HN 0.504 nan 8.280 nan 0.000 0.619 271 G N 0.659 109.314 108.800 -0.242 0.000 2.594 271 G HA2 0.357 4.317 3.960 -0.000 0.000 0.243 271 G HA3 0.357 4.317 3.960 -0.000 0.000 0.243 271 G C -1.011 173.921 174.900 0.053 0.000 1.229 271 G CA -0.198 44.827 45.100 -0.125 0.000 0.843 271 G HN 0.472 nan 8.290 nan 0.000 0.578 272 L N 1.430 122.729 121.223 0.127 0.000 2.491 272 L HA 0.398 4.737 4.340 -0.000 0.000 0.267 272 L C -1.295 175.724 176.870 0.249 0.000 0.971 272 L CA -0.862 54.073 54.840 0.158 0.000 0.857 272 L CB 1.423 43.529 42.059 0.079 0.000 1.226 272 L HN 0.614 nan 8.230 nan 0.000 0.408 273 N N 1.630 120.535 118.700 0.343 0.000 2.258 273 N HA 0.555 5.295 4.740 -0.000 0.000 0.299 273 N C -1.173 174.666 175.510 0.547 0.000 1.047 273 N CA -0.635 52.683 53.050 0.447 0.000 0.814 273 N CB 2.267 41.034 38.487 0.466 0.000 1.413 273 N HN 0.267 nan 8.380 nan 0.000 0.478 274 T N 0.559 115.383 114.554 0.451 0.000 2.845 274 T HA 0.373 4.723 4.350 -0.000 0.000 0.288 274 T C 0.292 174.919 174.700 -0.121 0.000 0.980 274 T CA -0.716 61.521 62.100 0.228 0.000 1.071 274 T CB 0.411 69.415 68.868 0.228 0.000 0.941 274 T HN 0.586 nan 8.240 nan 0.000 0.487 275 S N 3.460 118.817 115.700 -0.572 0.000 2.580 275 S HA 0.219 4.689 4.470 -0.000 0.000 0.274 275 S C -1.928 172.225 174.600 -0.745 0.000 1.329 275 S CA -1.255 56.121 58.200 -1.374 0.000 1.036 275 S CB 0.864 63.519 63.200 -0.908 0.000 0.919 275 S HN 0.320 nan 8.310 nan 0.000 0.515 276 P HA -0.157 nan 4.420 nan 0.000 0.218 276 P C 0.626 177.555 177.300 -0.617 0.000 1.146 276 P CA 1.544 64.388 63.100 -0.427 0.000 0.813 276 P CB -0.198 31.370 31.700 -0.220 0.000 0.778 277 D N -2.072 118.015 120.400 -0.522 0.000 2.348 277 D HA 0.045 4.685 4.640 -0.000 0.000 0.216 277 D C 1.368 177.300 176.300 -0.613 0.000 0.970 277 D CA 0.850 54.574 54.000 -0.461 0.000 0.889 277 D CB -1.226 39.393 40.800 -0.302 0.000 0.912 277 D HN 0.162 nan 8.370 nan 0.000 0.524 278 G N 1.102 109.423 108.800 -0.798 0.000 2.198 278 G HA2 -0.368 3.592 3.960 -0.000 0.000 0.260 278 G HA3 -0.368 3.592 3.960 -0.000 0.000 0.260 278 G C 0.649 175.266 174.900 -0.472 0.000 1.025 278 G CA 0.663 45.343 45.100 -0.701 0.000 0.769 278 G HN 0.648 nan 8.290 nan 0.000 0.507 279 K N -1.576 118.479 120.400 -0.576 0.000 2.447 279 K HA 0.491 4.811 4.320 -0.000 0.000 0.205 279 K C -0.467 175.601 176.600 -0.888 0.000 1.059 279 K CA -0.517 55.352 56.287 -0.698 0.000 1.065 279 K CB 0.851 32.886 32.500 -0.774 0.000 0.885 279 K HN 0.270 nan 8.250 nan 0.000 0.545 280 Y N 0.155 120.284 120.300 -0.284 0.000 2.433 280 Y HA 0.429 4.979 4.550 -0.000 0.000 0.337 280 Y C -1.160 174.651 175.900 -0.148 0.000 1.026 280 Y CA -1.614 56.390 58.100 -0.160 0.000 1.037 280 Y CB 1.371 39.806 38.460 -0.041 0.000 1.245 280 Y HN -0.111 nan 8.280 nan 0.000 0.443 281 F N 4.138 124.231 119.950 0.238 0.000 2.325 281 F HA 0.516 5.043 4.527 -0.000 0.000 0.369 281 F C -0.206 175.713 175.800 0.199 0.000 1.095 281 F CA -1.132 56.978 58.000 0.184 0.000 1.082 281 F CB 0.693 39.755 39.000 0.104 0.000 1.289 281 F HN 0.278 nan 8.300 nan 0.000 0.462 282 I N 3.768 124.604 120.570 0.443 0.000 2.312 282 I HA 0.505 4.675 4.170 -0.000 0.000 0.290 282 I C 0.180 176.446 176.117 0.250 0.000 1.008 282 I CA -0.548 60.951 61.300 0.332 0.000 1.226 282 I CB 1.029 39.267 38.000 0.397 0.000 1.371 282 I HN 0.581 nan 8.210 nan 0.000 0.468 283 A N 6.786 129.703 122.820 0.161 0.000 2.295 283 A HA 0.539 4.858 4.320 -0.000 0.000 0.318 283 A C -0.366 177.261 177.584 0.073 0.000 1.134 283 A CA -0.723 51.377 52.037 0.105 0.000 0.827 283 A CB 0.590 19.631 19.000 0.068 0.000 1.136 283 A HN 0.720 nan 8.150 nan 0.000 0.493 284 N N 1.067 119.798 118.700 0.052 0.000 2.419 284 N HA 0.245 4.985 4.740 -0.000 0.000 0.277 284 N C 1.208 176.724 175.510 0.010 0.000 1.006 284 N CA 0.419 53.484 53.050 0.024 0.000 0.923 284 N CB 1.869 40.357 38.487 0.001 0.000 1.140 284 N HN 0.789 nan 8.380 nan 0.000 0.488 285 G N 1.754 110.547 108.800 -0.012 0.000 2.446 285 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.217 285 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.217 285 G C 1.018 175.906 174.900 -0.020 0.000 1.168 285 G CA 1.443 46.532 45.100 -0.018 0.000 0.771 285 G HN 0.835 nan 8.290 nan 0.000 0.551 286 K N -1.627 118.756 120.400 -0.029 0.000 6.935 286 K HA -0.318 4.002 4.320 -0.000 0.000 0.336 286 K C 1.953 178.524 176.600 -0.047 0.000 0.625 286 K CA 1.897 58.149 56.287 -0.058 0.000 1.145 286 K CB -1.643 30.802 32.500 -0.092 0.000 0.792 286 K HN 0.182 nan 8.250 nan 0.000 0.936 287 L N 1.071 122.263 121.223 -0.052 0.000 2.191 287 L HA -0.045 4.295 4.340 -0.000 0.000 0.212 287 L C 1.346 178.203 176.870 -0.022 0.000 1.103 287 L CA 1.151 55.968 54.840 -0.038 0.000 0.769 287 L CB -0.227 41.808 42.059 -0.040 0.000 0.908 287 L HN 0.365 nan 8.230 nan 0.000 0.438 288 S N 0.436 116.123 115.700 -0.021 0.000 2.457 288 S HA 0.286 4.756 4.470 -0.000 0.000 0.289 288 S C -1.814 172.771 174.600 -0.024 0.000 1.163 288 S CA -1.632 56.557 58.200 -0.019 0.000 1.078 288 S CB 1.143 64.332 63.200 -0.019 0.000 0.987 288 S HN -0.055 nan 8.310 nan 0.000 0.482 289 P HA 0.087 nan 4.420 nan 0.000 0.279 289 P C 0.224 177.488 177.300 -0.060 0.000 1.451 289 P CA 0.184 63.267 63.100 -0.028 0.000 0.783 289 P CB -0.780 30.911 31.700 -0.015 0.000 1.490 290 T N -3.963 110.546 114.554 -0.074 0.000 2.773 290 T HA 0.622 4.971 4.350 -0.000 0.000 0.278 290 T C -0.637 173.982 174.700 -0.136 0.000 1.011 290 T CA -0.896 61.126 62.100 -0.130 0.000 1.014 290 T CB 1.744 70.542 68.868 -0.117 0.000 1.293 290 T HN -0.213 nan 8.240 nan 0.000 0.554 291 V N 0.958 120.752 119.914 -0.200 0.000 2.733 291 V HA 0.567 4.687 4.120 -0.000 0.000 0.306 291 V C -0.717 175.284 176.094 -0.155 0.000 1.084 291 V CA -0.792 61.417 62.300 -0.151 0.000 0.905 291 V CB 2.467 34.173 31.823 -0.195 0.000 1.010 291 V HN 1.089 nan 8.190 nan 0.000 0.424 292 S N 3.746 119.405 115.700 -0.068 0.000 2.420 292 S HA 0.436 4.906 4.470 -0.000 0.000 0.313 292 S C -0.263 174.329 174.600 -0.013 0.000 1.079 292 S CA -0.435 57.722 58.200 -0.070 0.000 1.104 292 S CB 1.284 64.468 63.200 -0.028 0.000 0.969 292 S HN 0.468 nan 8.310 nan 0.000 0.471 293 V N 5.847 125.721 119.914 -0.068 0.000 2.339 293 V HA 0.270 4.390 4.120 -0.000 0.000 0.261 293 V C 0.116 176.244 176.094 0.058 0.000 1.058 293 V CA -0.298 62.007 62.300 0.009 0.000 0.897 293 V CB -0.278 31.484 31.823 -0.103 0.000 1.052 293 V HN 0.759 nan 8.190 nan 0.000 0.480 294 I N 4.023 124.697 120.570 0.174 0.000 2.365 294 I HA 0.509 4.679 4.170 -0.000 0.000 0.291 294 I C 0.763 177.048 176.117 0.279 0.000 1.004 294 I CA -0.203 61.215 61.300 0.197 0.000 1.311 294 I CB 1.399 39.530 38.000 0.218 0.000 1.401 294 I HN 0.596 nan 8.210 nan 0.000 0.491 295 A N 6.883 129.829 122.820 0.209 0.000 2.269 295 A HA 0.448 4.768 4.320 -0.000 0.000 0.302 295 A C 1.006 178.615 177.584 0.042 0.000 1.266 295 A CA -0.450 51.675 52.037 0.146 0.000 0.894 295 A CB 0.071 19.152 19.000 0.135 0.000 1.147 295 A HN 0.846 nan 8.150 nan 0.000 0.537 296 I N 1.331 121.862 120.570 -0.065 0.000 2.335 296 I HA -0.224 3.946 4.170 -0.000 0.000 0.251 296 I C 2.045 178.136 176.117 -0.044 0.000 1.129 296 I CA 1.330 62.587 61.300 -0.072 0.000 1.402 296 I CB -0.094 37.751 38.000 -0.258 0.000 1.069 296 I HN 0.744 nan 8.210 nan 0.000 0.424 297 D N 1.601 121.959 120.400 -0.070 0.000 2.149 297 D HA -0.191 4.449 4.640 -0.000 0.000 0.198 297 D C 1.964 178.268 176.300 0.007 0.000 0.990 297 D CA 1.328 55.308 54.000 -0.032 0.000 0.839 297 D CB 0.124 40.889 40.800 -0.059 0.000 0.948 297 D HN 0.361 nan 8.370 nan 0.000 0.460 298 K N -0.038 120.367 120.400 0.009 0.000 2.432 298 K HA 0.052 4.372 4.320 -0.000 0.000 0.196 298 K C 2.230 178.842 176.600 0.019 0.000 1.038 298 K CA -0.093 56.207 56.287 0.023 0.000 0.986 298 K CB 0.224 32.742 32.500 0.030 0.000 0.782 298 K HN 0.201 nan 8.250 nan 0.000 0.485 299 L N 1.245 122.455 121.223 -0.021 0.000 2.189 299 L HA -0.249 4.091 4.340 -0.000 0.000 0.214 299 L C 1.768 178.671 176.870 0.055 0.000 1.097 299 L CA 1.085 55.870 54.840 -0.091 0.000 0.764 299 L CB -0.457 41.320 42.059 -0.471 0.000 0.900 299 L HN 0.242 nan 8.230 nan 0.000 0.436 300 D N 0.057 120.526 120.400 0.115 0.000 2.097 300 D HA -0.173 4.467 4.640 -0.000 0.000 0.197 300 D C 1.714 178.117 176.300 0.171 0.000 0.984 300 D CA 1.308 55.431 54.000 0.205 0.000 0.826 300 D CB -0.064 40.833 40.800 0.161 0.000 0.973 300 D HN 0.366 nan 8.370 nan 0.000 0.460 301 D N 0.538 121.001 120.400 0.105 0.000 2.144 301 D HA -0.112 4.528 4.640 -0.000 0.000 0.200 301 D C 2.233 178.571 176.300 0.063 0.000 0.978 301 D CA 0.186 54.230 54.000 0.074 0.000 0.833 301 D CB -0.198 40.628 40.800 0.044 0.000 0.961 301 D HN 0.121 nan 8.370 nan 0.000 0.470 302 L N -0.019 121.238 121.223 0.056 0.000 2.079 302 L HA -0.130 4.210 4.340 -0.000 0.000 0.210 302 L C 1.593 178.410 176.870 -0.089 0.000 1.081 302 L CA 1.462 56.283 54.840 -0.032 0.000 0.752 302 L CB -0.568 41.447 42.059 -0.073 0.000 0.896 302 L HN -0.112 nan 8.230 nan 0.000 0.433 303 F N -1.063 118.876 119.950 -0.018 0.000 2.773 303 F HA 0.083 4.610 4.527 -0.000 0.000 0.304 303 F C 1.916 177.718 175.800 0.005 0.000 1.129 303 F CA 0.285 58.287 58.000 0.005 0.000 1.378 303 F CB 0.011 39.055 39.000 0.072 0.000 1.095 303 F HN 0.170 nan 8.300 nan 0.000 0.565 304 E N -0.414 119.857 120.200 0.118 0.000 2.562 304 E HA 0.059 4.409 4.350 -0.000 0.000 0.214 304 E C -0.017 176.592 176.600 0.016 0.000 0.979 304 E CA 0.229 56.671 56.400 0.070 0.000 1.002 304 E CB 0.080 29.825 29.700 0.075 0.000 1.048 304 E HN 0.082 nan 8.360 nan 0.000 0.488 305 D N 0.216 120.606 120.400 -0.017 0.000 2.945 305 D HA -0.216 4.423 4.640 -0.000 0.000 0.225 305 D C 0.456 176.742 176.300 -0.022 0.000 1.158 305 D CA 0.753 54.729 54.000 -0.041 0.000 0.805 305 D CB -0.793 39.979 40.800 -0.046 0.000 1.098 305 D HN 0.371 nan 8.370 nan 0.000 0.426 306 K N -0.170 120.227 120.400 -0.006 0.000 2.418 306 K HA 0.120 4.439 4.320 -0.000 0.000 0.195 306 K C 1.452 178.050 176.600 -0.003 0.000 1.035 306 K CA 0.659 56.947 56.287 0.001 0.000 1.003 306 K CB 0.497 33.006 32.500 0.015 0.000 0.793 306 K HN 0.535 nan 8.250 nan 0.000 0.494 307 I N -3.476 117.088 120.570 -0.011 0.000 3.467 307 I HA 0.446 4.616 4.170 -0.000 0.000 0.314 307 I C -0.984 175.118 176.117 -0.026 0.000 1.177 307 I CA -1.293 60.000 61.300 -0.010 0.000 0.943 307 I CB 1.859 39.860 38.000 0.001 0.000 1.338 307 I HN -0.353 nan 8.210 nan 0.000 0.482 308 E N 0.333 120.522 120.200 -0.018 0.000 2.280 308 E HA 0.450 4.800 4.350 -0.000 0.000 0.264 308 E C 0.440 177.021 176.600 -0.033 0.000 1.064 308 E CA -0.431 55.953 56.400 -0.027 0.000 0.900 308 E CB 1.415 31.108 29.700 -0.012 0.000 1.123 308 E HN 0.675 nan 8.360 nan 0.000 0.418 309 L N 1.498 122.694 121.223 -0.045 0.000 1.989 309 L HA -0.175 4.165 4.340 -0.000 0.000 0.211 309 L C 2.071 178.932 176.870 -0.015 0.000 1.071 309 L CA 1.141 55.950 54.840 -0.052 0.000 0.749 309 L CB -0.296 41.730 42.059 -0.055 0.000 0.890 309 L HN 0.427 nan 8.230 nan 0.000 0.431 310 R N -0.023 120.483 120.500 0.009 0.000 2.285 310 R HA -0.099 4.241 4.340 -0.000 0.000 0.213 310 R C 1.318 177.652 176.300 0.056 0.000 1.068 310 R CA 0.680 56.803 56.100 0.038 0.000 1.004 310 R CB -0.674 29.658 30.300 0.053 0.000 0.873 310 R HN 0.386 nan 8.270 nan 0.000 0.467 311 D N -0.257 120.167 120.400 0.039 0.000 2.350 311 D HA -0.079 4.561 4.640 -0.000 0.000 0.216 311 D C 1.619 177.953 176.300 0.056 0.000 0.968 311 D CA 1.294 55.325 54.000 0.053 0.000 0.894 311 D CB 0.061 40.881 40.800 0.032 0.000 0.909 311 D HN 0.330 nan 8.370 nan 0.000 0.520 312 T N -1.673 112.904 114.554 0.040 0.000 3.023 312 T HA -0.001 4.349 4.350 -0.000 0.000 0.266 312 T C 1.088 175.822 174.700 0.055 0.000 1.093 312 T CA -0.090 62.036 62.100 0.044 0.000 1.129 312 T CB 0.129 69.013 68.868 0.026 0.000 0.899 312 T HN -0.064 nan 8.240 nan 0.000 0.491 313 I N 3.236 123.830 120.570 0.040 0.000 2.494 313 I HA 0.080 4.250 4.170 -0.000 0.000 0.289 313 I C 1.234 177.320 176.117 -0.052 0.000 1.106 313 I CA -0.301 60.985 61.300 -0.023 0.000 1.369 313 I CB 0.515 38.495 38.000 -0.034 0.000 1.410 313 I HN 0.082 nan 8.210 nan 0.000 0.523 314 V N 5.850 125.709 119.914 -0.091 0.000 3.354 314 V HA 0.293 4.413 4.120 -0.000 0.000 0.258 314 V C 0.807 176.703 176.094 -0.331 0.000 1.159 314 V CA 0.765 63.031 62.300 -0.057 0.000 1.125 314 V CB -0.091 31.769 31.823 0.063 0.000 0.774 314 V HN 0.888 nan 8.190 nan 0.000 0.464 315 A N -0.192 122.233 122.820 -0.658 0.000 2.590 315 A HA 0.713 5.033 4.320 -0.000 0.000 0.294 315 A C -0.641 176.509 177.584 -0.723 0.000 1.046 315 A CA -0.377 51.133 52.037 -0.879 0.000 0.684 315 A CB 1.364 20.135 19.000 -0.381 0.000 1.279 315 A HN 0.111 nan 8.150 nan 0.000 0.415 316 E N 1.354 121.175 120.200 -0.632 0.000 3.554 316 E HA 0.237 4.587 4.350 -0.000 0.000 0.286 316 E C -2.766 173.652 176.600 -0.303 0.000 1.173 316 E CA -1.225 54.955 56.400 -0.366 0.000 1.117 316 E CB 0.986 30.549 29.700 -0.228 0.000 1.323 316 E HN 0.571 nan 8.360 nan 0.000 0.394 317 P HA 0.027 nan 4.420 nan 0.000 0.271 317 P C -0.442 176.601 177.300 -0.429 0.000 1.218 317 P CA -0.021 62.682 63.100 -0.661 0.000 0.780 317 P CB 1.027 31.866 31.700 -1.435 0.000 0.901 318 E N 2.014 122.095 120.200 -0.198 0.000 2.229 318 E HA 0.183 4.533 4.350 -0.000 0.000 0.283 318 E C 0.210 176.771 176.600 -0.065 0.000 1.030 318 E CA -0.389 55.952 56.400 -0.098 0.000 0.836 318 E CB 0.424 30.114 29.700 -0.016 0.000 1.068 318 E HN 0.413 nan 8.360 nan 0.000 0.401 319 L N 3.113 124.269 121.223 -0.112 0.000 2.526 319 L HA 0.471 4.811 4.340 -0.000 0.000 0.210 319 L C 1.011 177.863 176.870 -0.030 0.000 1.048 319 L CA 0.395 55.185 54.840 -0.084 0.000 0.852 319 L CB 0.615 42.572 42.059 -0.171 0.000 1.128 319 L HN 0.700 nan 8.230 nan 0.000 0.482 320 G N -0.472 108.313 108.800 -0.024 0.000 2.321 320 G HA2 0.282 4.242 3.960 -0.000 0.000 0.296 320 G HA3 0.282 4.242 3.960 -0.000 0.000 0.296 320 G C -1.730 173.176 174.900 0.010 0.000 1.287 320 G CA -0.921 44.180 45.100 0.001 0.000 0.846 320 G HN -0.125 nan 8.290 nan 0.000 0.508 321 L N 1.153 122.392 121.223 0.026 0.000 2.367 321 L HA 0.473 4.813 4.340 -0.000 0.000 0.275 321 L C 1.424 178.337 176.870 0.071 0.000 1.129 321 L CA 0.762 55.626 54.840 0.040 0.000 0.839 321 L CB 0.839 42.925 42.059 0.045 0.000 1.133 321 L HN 1.778 nan 8.230 nan 0.000 0.453 322 G N 2.946 111.784 108.800 0.063 0.000 2.256 322 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.272 322 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.272 322 G C -2.283 172.664 174.900 0.079 0.000 1.076 322 G CA -0.835 44.317 45.100 0.087 0.000 0.882 322 G HN 0.476 nan 8.290 nan 0.000 0.497 323 P HA 0.270 nan 4.420 nan 0.000 0.270 323 P C 1.004 178.304 177.300 -0.000 0.000 1.242 323 P CA -0.119 63.001 63.100 0.033 0.000 0.768 323 P CB 1.024 32.726 31.700 0.003 0.000 0.820 324 L N 2.801 124.025 121.223 0.002 0.000 2.445 324 L HA 0.224 4.564 4.340 -0.000 0.000 0.207 324 L C 1.127 177.761 176.870 -0.393 0.000 1.053 324 L CA 0.598 55.351 54.840 -0.146 0.000 0.841 324 L CB -0.161 41.838 42.059 -0.100 0.000 1.074 324 L HN 0.474 nan 8.230 nan 0.000 0.479 325 H N -1.147 117.997 119.070 0.123 0.000 2.985 325 H HA 0.522 5.078 4.556 -0.000 0.000 0.360 325 H C -1.147 174.244 175.328 0.104 0.000 1.221 325 H CA -0.420 55.684 56.048 0.092 0.000 1.121 325 H CB 2.329 32.115 29.762 0.040 0.000 1.854 325 H HN -0.188 nan 8.280 nan 0.000 0.551 326 T N 0.586 115.273 114.554 0.223 0.000 2.903 326 T HA 0.434 4.784 4.350 -0.000 0.000 0.299 326 T C -0.201 174.437 174.700 -0.103 0.000 1.093 326 T CA -0.553 61.577 62.100 0.050 0.000 1.002 326 T CB 2.835 71.707 68.868 0.008 0.000 1.127 326 T HN 0.595 nan 8.240 nan 0.000 0.488 327 T N 0.666 115.043 114.554 -0.295 0.000 2.778 327 T HA 0.845 5.195 4.350 -0.000 0.000 0.293 327 T C -1.885 172.462 174.700 -0.588 0.000 1.144 327 T CA -0.541 61.383 62.100 -0.294 0.000 1.010 327 T CB 0.778 69.619 68.868 -0.044 0.000 1.325 327 T HN 0.369 nan 8.240 nan 0.000 0.515 328 F N 0.608 120.616 119.950 0.096 0.000 2.613 328 F HA 0.423 4.950 4.527 -0.000 0.000 0.314 328 F C 0.563 176.411 175.800 0.080 0.000 1.075 328 F CA -1.071 56.993 58.000 0.106 0.000 0.945 328 F CB 1.484 40.501 39.000 0.029 0.000 1.310 328 F HN 0.588 nan 8.300 nan 0.000 0.467 329 D N -1.382 119.218 120.400 0.334 0.000 2.369 329 D HA 0.268 4.908 4.640 -0.000 0.000 0.211 329 D C 1.586 177.959 176.300 0.120 0.000 1.077 329 D CA 0.477 54.586 54.000 0.181 0.000 0.842 329 D CB 0.444 41.390 40.800 0.243 0.000 0.947 329 D HN 0.892 nan 8.370 nan 0.000 0.509 330 G N 0.932 109.810 108.800 0.130 0.000 2.162 330 G HA2 -0.383 3.577 3.960 -0.000 0.000 0.260 330 G HA3 -0.383 3.577 3.960 -0.000 0.000 0.260 330 G C 1.018 175.933 174.900 0.025 0.000 0.976 330 G CA 0.278 45.404 45.100 0.043 0.000 0.655 330 G HN 0.437 nan 8.290 nan 0.000 0.533 331 R N -0.424 120.104 120.500 0.047 0.000 2.472 331 R HA 0.433 4.773 4.340 -0.000 0.000 0.279 331 R C 1.835 178.143 176.300 0.013 0.000 0.953 331 R CA 0.625 56.741 56.100 0.026 0.000 1.088 331 R CB 0.556 30.876 30.300 0.033 0.000 1.197 331 R HN 1.175 nan 8.270 nan 0.000 0.536 332 G N 0.858 109.666 108.800 0.014 0.000 2.195 332 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.224 332 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.224 332 G C -0.212 174.642 174.900 -0.076 0.000 0.990 332 G CA -0.525 44.570 45.100 -0.010 0.000 0.639 332 G HN 0.258 nan 8.290 nan 0.000 0.514 333 N N 0.779 119.421 118.700 -0.097 0.000 2.466 333 N HA 0.715 5.454 4.740 -0.000 0.000 0.294 333 N C -0.046 175.208 175.510 -0.426 0.000 1.129 333 N CA 0.445 53.313 53.050 -0.303 0.000 0.931 333 N CB 1.941 40.247 38.487 -0.301 0.000 1.193 333 N HN 0.716 nan 8.380 nan 0.000 0.500 334 A N 1.144 123.403 122.820 -0.936 0.000 2.374 334 A HA 0.694 5.014 4.320 -0.000 0.000 0.317 334 A C -1.669 175.326 177.584 -0.981 0.000 1.094 334 A CA -0.561 50.870 52.037 -1.010 0.000 0.765 334 A CB 0.731 18.809 19.000 -1.536 0.000 1.268 334 A HN 0.596 nan 8.150 nan 0.000 0.438 335 Y N 0.577 120.650 120.300 -0.377 0.000 2.331 335 Y HA 0.580 5.130 4.550 -0.000 0.000 0.334 335 Y C 0.436 176.338 175.900 0.002 0.000 0.960 335 Y CA -0.422 57.616 58.100 -0.104 0.000 1.130 335 Y CB 2.298 40.718 38.460 -0.066 0.000 1.164 335 Y HN 0.580 nan 8.280 nan 0.000 0.458 336 T N 1.747 116.460 114.554 0.265 0.000 2.887 336 T HA 0.494 4.844 4.350 -0.000 0.000 0.288 336 T C -0.201 174.624 174.700 0.208 0.000 1.021 336 T CA -0.997 61.251 62.100 0.247 0.000 1.000 336 T CB 1.344 70.387 68.868 0.292 0.000 1.034 336 T HN 0.592 nan 8.240 nan 0.000 0.467 337 T N 0.845 115.515 114.554 0.193 0.000 2.875 337 T HA 0.681 5.030 4.350 -0.000 0.000 0.284 337 T C -0.346 174.445 174.700 0.153 0.000 0.995 337 T CA -0.892 61.315 62.100 0.179 0.000 1.060 337 T CB 0.281 69.279 68.868 0.217 0.000 0.967 337 T HN 0.400 nan 8.240 nan 0.000 0.476 338 L N 3.911 125.215 121.223 0.135 0.000 2.337 338 L HA 0.385 4.725 4.340 -0.000 0.000 0.269 338 L C 0.812 177.769 176.870 0.145 0.000 1.018 338 L CA -0.902 54.011 54.840 0.123 0.000 0.876 338 L CB 0.718 42.826 42.059 0.081 0.000 1.236 338 L HN 0.694 nan 8.230 nan 0.000 0.436 339 F N 3.008 122.986 119.950 0.046 0.000 2.025 339 F HA -0.286 4.241 4.527 -0.000 0.000 0.297 339 F C 2.029 177.869 175.800 0.067 0.000 1.132 339 F CA 2.143 60.177 58.000 0.057 0.000 1.191 339 F CB 0.135 39.150 39.000 0.025 0.000 0.963 339 F HN 0.385 nan 8.300 nan 0.000 0.481 340 I N 0.074 120.801 120.570 0.263 0.000 2.163 340 I HA -0.317 3.852 4.170 -0.000 0.000 0.243 340 I C 1.675 177.814 176.117 0.036 0.000 1.085 340 I CA 1.766 63.154 61.300 0.147 0.000 1.347 340 I CB -0.676 37.418 38.000 0.157 0.000 1.044 340 I HN 0.143 nan 8.210 nan 0.000 0.408 341 D N 0.419 120.843 120.400 0.040 0.000 2.363 341 D HA -0.053 4.587 4.640 -0.000 0.000 0.220 341 D C 1.020 177.318 176.300 -0.004 0.000 0.994 341 D CA 0.586 54.597 54.000 0.018 0.000 0.890 341 D CB -0.010 40.806 40.800 0.026 0.000 0.906 341 D HN 0.207 nan 8.370 nan 0.000 0.530 342 S N 0.507 116.190 115.700 -0.028 0.000 3.608 342 S HA -0.234 4.236 4.470 -0.000 0.000 0.382 342 S C -0.255 174.330 174.600 -0.026 0.000 0.945 342 S CA 0.947 59.114 58.200 -0.054 0.000 1.256 342 S CB -1.529 61.636 63.200 -0.060 0.000 0.913 342 S HN 0.569 nan 8.310 nan 0.000 0.518 343 Q N -0.731 119.077 119.800 0.014 0.000 2.687 343 Q HA 0.727 5.067 4.340 -0.000 0.000 0.295 343 Q C -1.433 174.611 176.000 0.075 0.000 0.920 343 Q CA -1.307 54.515 55.803 0.032 0.000 0.766 343 Q CB 1.467 30.220 28.738 0.024 0.000 1.467 343 Q HN 0.237 nan 8.270 nan 0.000 0.415 344 V N 0.811 120.781 119.914 0.093 0.000 2.459 344 V HA 0.469 4.588 4.120 -0.000 0.000 0.295 344 V C -0.630 175.551 176.094 0.146 0.000 1.029 344 V CA -0.706 61.677 62.300 0.139 0.000 0.874 344 V CB 1.465 33.388 31.823 0.165 0.000 0.985 344 V HN 0.909 nan 8.190 nan 0.000 0.438 345 C N 6.419 125.821 119.300 0.169 0.000 2.281 345 C HA 0.549 5.009 4.460 -0.000 0.000 0.325 345 C C 0.071 175.173 174.990 0.187 0.000 1.282 345 C CA -0.927 58.194 59.018 0.170 0.000 1.640 345 C CB 0.087 27.925 27.740 0.163 0.000 2.288 345 C HN 0.983 nan 8.230 nan 0.000 0.507 346 K N 7.303 127.740 120.400 0.062 0.000 2.253 346 K HA 0.497 4.816 4.320 -0.000 0.000 0.277 346 K C -0.622 175.967 176.600 -0.018 0.000 1.053 346 K CA -0.369 55.783 56.287 -0.225 0.000 0.892 346 K CB 0.545 32.870 32.500 -0.292 0.000 1.102 346 K HN 0.894 nan 8.250 nan 0.000 0.469 347 W N 3.173 124.338 121.300 -0.225 0.000 2.950 347 W HA 0.368 5.027 4.660 -0.000 0.000 0.340 347 W C -1.159 175.309 176.519 -0.086 0.000 1.139 347 W CA -1.113 56.187 57.345 -0.075 0.000 1.188 347 W CB 0.233 29.717 29.460 0.040 0.000 1.426 347 W HN 0.393 nan 8.180 nan 0.000 0.531 348 N N 2.029 120.848 118.700 0.198 0.000 2.419 348 N HA 0.180 4.920 4.740 -0.000 0.000 0.264 348 N C 0.973 176.574 175.510 0.153 0.000 1.031 348 N CA -0.173 52.903 53.050 0.044 0.000 0.951 348 N CB 1.094 39.633 38.487 0.087 0.000 1.101 348 N HN 0.515 nan 8.380 nan 0.000 0.488 349 I N 2.911 123.417 120.570 -0.108 0.000 2.142 349 I HA -0.282 3.888 4.170 -0.000 0.000 0.240 349 I C 2.307 178.461 176.117 0.060 0.000 1.078 349 I CA 1.281 62.567 61.300 -0.023 0.000 1.343 349 I CB -0.368 37.505 38.000 -0.211 0.000 1.046 349 I HN 0.595 nan 8.210 nan 0.000 0.405 350 A N 0.675 123.521 122.820 0.043 0.000 1.917 350 A HA -0.266 4.054 4.320 -0.000 0.000 0.219 350 A C 1.922 179.573 177.584 0.112 0.000 1.182 350 A CA 2.326 54.407 52.037 0.072 0.000 0.633 350 A CB -0.675 18.367 19.000 0.070 0.000 0.819 350 A HN 0.383 nan 8.150 nan 0.000 0.448 351 D N -0.254 120.237 120.400 0.151 0.000 2.219 351 D HA 0.033 4.673 4.640 -0.000 0.000 0.205 351 D C 2.092 178.542 176.300 0.251 0.000 0.970 351 D CA 1.286 55.412 54.000 0.210 0.000 0.851 351 D CB -0.302 40.644 40.800 0.243 0.000 0.943 351 D HN 0.452 nan 8.370 nan 0.000 0.488 352 A N 0.262 123.191 122.820 0.181 0.000 2.014 352 A HA -0.034 4.286 4.320 -0.000 0.000 0.218 352 A C 2.257 179.855 177.584 0.022 0.000 1.163 352 A CA 0.457 52.459 52.037 -0.057 0.000 0.652 352 A CB -0.424 18.474 19.000 -0.170 0.000 0.808 352 A HN 0.168 nan 8.150 nan 0.000 0.449 353 I N -0.442 120.170 120.570 0.069 0.000 2.202 353 I HA -0.249 3.921 4.170 -0.000 0.000 0.242 353 I C 2.404 178.620 176.117 0.166 0.000 1.091 353 I CA 1.467 62.820 61.300 0.088 0.000 1.368 353 I CB -0.287 37.756 38.000 0.071 0.000 1.058 353 I HN 0.257 nan 8.210 nan 0.000 0.410 354 K N -0.319 120.177 120.400 0.160 0.000 2.057 354 K HA -0.221 4.099 4.320 -0.000 0.000 0.207 354 K C 2.274 178.983 176.600 0.182 0.000 1.049 354 K CA 1.193 57.571 56.287 0.152 0.000 0.931 354 K CB -0.400 32.180 32.500 0.133 0.000 0.714 354 K HN 0.361 nan 8.250 nan 0.000 0.440 355 H N -0.093 119.065 119.070 0.146 0.000 2.421 355 H HA -0.162 4.393 4.556 -0.000 0.000 0.298 355 H C 1.785 177.204 175.328 0.151 0.000 1.087 355 H CA 1.457 57.604 56.048 0.165 0.000 1.330 355 H CB 0.016 29.948 29.762 0.283 0.000 1.388 355 H HN 0.239 nan 8.280 nan 0.000 0.526 356 Y N 1.726 122.131 120.300 0.175 0.000 2.293 356 Y HA -0.082 4.468 4.550 -0.000 0.000 0.291 356 Y C 1.848 177.771 175.900 0.038 0.000 1.137 356 Y CA 1.242 59.400 58.100 0.096 0.000 1.202 356 Y CB -0.199 38.282 38.460 0.034 0.000 0.990 356 Y HN 0.171 nan 8.280 nan 0.000 0.537 357 N N -0.117 118.629 118.700 0.076 0.000 2.521 357 N HA 0.056 4.796 4.740 -0.000 0.000 0.188 357 N C 1.305 176.772 175.510 -0.071 0.000 1.146 357 N CA 1.138 54.172 53.050 -0.026 0.000 0.893 357 N CB 0.221 38.736 38.487 0.046 0.000 0.975 357 N HN 0.568 nan 8.380 nan 0.000 0.451 358 G N 0.206 108.947 108.800 -0.097 0.000 2.184 358 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.206 358 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.206 358 G C 0.108 174.934 174.900 -0.125 0.000 0.995 358 G CA -0.128 44.897 45.100 -0.125 0.000 0.651 358 G HN 0.302 nan 8.290 nan 0.000 0.511 359 D N 0.009 120.356 120.400 -0.088 0.000 2.174 359 D HA 0.327 4.967 4.640 -0.000 0.000 0.245 359 D C 1.443 177.668 176.300 -0.125 0.000 1.301 359 D CA 0.266 54.232 54.000 -0.057 0.000 0.959 359 D CB 0.254 41.067 40.800 0.022 0.000 1.231 359 D HN 0.398 nan 8.370 nan 0.000 0.535 360 R N -0.663 119.810 120.500 -0.044 0.000 2.569 360 R HA 0.237 4.577 4.340 -0.000 0.000 0.422 360 R C -0.370 175.967 176.300 0.062 0.000 0.980 360 R CA -0.304 55.777 56.100 -0.031 0.000 1.164 360 R CB 0.769 31.055 30.300 -0.024 0.000 1.520 360 R HN 0.023 nan 8.270 nan 0.000 0.567 361 V N 1.535 121.519 119.914 0.117 0.000 2.924 361 V HA 0.050 4.170 4.120 -0.000 0.000 0.305 361 V C 0.426 176.624 176.094 0.174 0.000 1.073 361 V CA -0.263 62.119 62.300 0.136 0.000 1.098 361 V CB 1.030 32.939 31.823 0.142 0.000 1.000 361 V HN 0.300 nan 8.190 nan 0.000 0.484 362 N N 1.790 120.527 118.700 0.062 0.000 2.420 362 N HA 0.245 4.984 4.740 -0.000 0.000 0.249 362 N C 0.254 175.746 175.510 -0.031 0.000 1.033 362 N CA -0.386 52.620 53.050 -0.073 0.000 0.944 362 N CB 0.663 39.101 38.487 -0.083 0.000 1.113 362 N HN 0.808 nan 8.380 nan 0.000 0.502 363 Y N 1.948 122.273 120.300 0.043 0.000 2.314 363 Y HA 0.266 4.816 4.550 -0.000 0.000 0.294 363 Y C 0.610 176.572 175.900 0.104 0.000 1.119 363 Y CA -0.246 57.901 58.100 0.078 0.000 1.179 363 Y CB -0.136 38.362 38.460 0.062 0.000 1.025 363 Y HN 0.288 nan 8.280 nan 0.000 0.541 364 I N 3.007 123.530 120.570 -0.079 0.000 2.598 364 I HA 0.006 4.176 4.170 -0.000 0.000 0.284 364 I C 0.912 177.041 176.117 0.020 0.000 1.140 364 I CA 0.171 61.499 61.300 0.048 0.000 1.420 364 I CB 0.798 38.734 38.000 -0.108 0.000 1.387 364 I HN 0.299 nan 8.210 nan 0.000 0.553 365 R N 4.112 124.648 120.500 0.059 0.000 2.225 365 R HA 0.238 4.578 4.340 -0.000 0.000 0.194 365 R C 0.214 176.522 176.300 0.014 0.000 0.957 365 R CA 0.364 56.476 56.100 0.020 0.000 1.042 365 R CB 0.379 30.680 30.300 0.002 0.000 1.004 365 R HN 0.724 nan 8.270 nan 0.000 0.509 366 Q N -0.333 119.483 119.800 0.026 0.000 2.791 366 Q HA 0.258 4.598 4.340 -0.000 0.000 0.280 366 Q C -1.794 174.235 176.000 0.049 0.000 0.928 366 Q CA -0.520 55.302 55.803 0.032 0.000 0.819 366 Q CB 1.657 30.418 28.738 0.038 0.000 1.552 366 Q HN -0.133 nan 8.270 nan 0.000 0.410 367 K N 2.203 122.630 120.400 0.045 0.000 2.507 367 K HA 0.516 4.836 4.320 -0.000 0.000 0.251 367 K C -1.519 175.110 176.600 0.047 0.000 0.943 367 K CA -0.552 55.766 56.287 0.052 0.000 0.794 367 K CB 1.957 34.478 32.500 0.035 0.000 1.188 367 K HN 0.553 nan 8.250 nan 0.000 0.428 368 L N 3.248 124.506 121.223 0.060 0.000 2.325 368 L HA 0.320 4.659 4.340 -0.000 0.000 0.281 368 L C -0.732 176.154 176.870 0.027 0.000 1.004 368 L CA -0.751 54.117 54.840 0.047 0.000 0.823 368 L CB 1.261 43.360 42.059 0.068 0.000 1.236 368 L HN 0.598 nan 8.230 nan 0.000 0.415 369 D N 4.372 124.773 120.400 0.001 0.000 2.412 369 D HA 0.077 4.717 4.640 -0.000 0.000 0.257 369 D C -0.099 176.169 176.300 -0.055 0.000 1.217 369 D CA 0.270 54.252 54.000 -0.030 0.000 0.897 369 D CB 1.621 42.393 40.800 -0.048 0.000 1.132 369 D HN 0.122 nan 8.370 nan 0.000 0.493 370 V N 2.961 122.839 119.914 -0.061 0.000 2.716 370 V HA 0.036 4.156 4.120 -0.000 0.000 0.304 370 V C 0.394 176.361 176.094 -0.212 0.000 1.053 370 V CA -0.706 61.547 62.300 -0.078 0.000 0.984 370 V CB 1.775 33.590 31.823 -0.013 0.000 1.021 370 V HN 0.340 nan 8.190 nan 0.000 0.467 371 Q N 3.894 123.521 119.800 -0.288 0.000 2.452 371 Q HA 0.404 4.744 4.340 -0.000 0.000 0.230 371 Q C -1.428 174.226 176.000 -0.578 0.000 1.180 371 Q CA 0.048 55.435 55.803 -0.694 0.000 0.914 371 Q CB -0.681 27.694 28.738 -0.605 0.000 1.408 371 Q HN 0.551 nan 8.270 nan 0.000 0.520 372 Y N -0.044 120.263 120.300 0.012 0.000 2.740 372 Y HA -0.224 4.325 4.550 -0.000 0.000 0.042 372 Y C -0.112 175.811 175.900 0.038 0.000 1.950 372 Y CA -0.239 57.883 58.100 0.037 0.000 1.238 372 Y CB -2.154 36.372 38.460 0.109 0.000 1.901 372 Y HN 0.582 nan 8.280 nan 0.000 0.287 373 Q N -1.174 118.616 119.800 -0.016 0.000 2.409 373 Q HA -0.158 4.182 4.340 -0.000 0.000 0.363 373 Q C -2.489 173.423 176.000 -0.146 0.000 1.356 373 Q CA 1.051 56.614 55.803 -0.401 0.000 1.044 373 Q CB -0.692 27.703 28.738 -0.573 0.000 1.173 373 Q HN 0.418 nan 8.270 nan 0.000 0.309 374 P HA 0.209 nan 4.420 nan 0.000 0.269 374 P C 0.664 178.147 177.300 0.305 0.000 1.215 374 P CA 0.484 63.669 63.100 0.142 0.000 0.780 374 P CB 1.043 32.824 31.700 0.134 0.000 0.898 375 G N 0.544 109.524 108.800 0.301 0.000 2.665 375 G HA2 0.110 4.070 3.960 -0.000 0.000 0.204 375 G HA3 0.110 4.070 3.960 -0.000 0.000 0.204 375 G C -0.254 174.908 174.900 0.436 0.000 1.883 375 G CA 0.178 45.508 45.100 0.383 0.000 0.734 375 G HN 0.476 nan 8.290 nan 0.000 0.811 376 H N 0.515 119.750 119.070 0.275 0.000 2.607 376 H HA 0.355 4.911 4.556 -0.000 0.000 0.367 376 H C -0.678 174.721 175.328 0.118 0.000 1.181 376 H CA 0.341 56.438 56.048 0.081 0.000 1.402 376 H CB 1.546 31.242 29.762 -0.109 0.000 1.474 376 H HN 0.239 nan 8.280 nan 0.000 0.596 377 N N 0.163 119.016 118.700 0.255 0.000 2.238 377 N HA 0.185 4.924 4.740 -0.000 0.000 0.302 377 N C -1.799 173.846 175.510 0.225 0.000 1.072 377 N CA -0.494 52.684 53.050 0.213 0.000 0.792 377 N CB 1.453 40.066 38.487 0.210 0.000 1.425 377 N HN 0.607 nan 8.380 nan 0.000 0.478 378 H N 0.609 119.711 119.070 0.053 0.000 3.128 378 H HA 0.673 5.228 4.556 -0.000 0.000 0.336 378 H C -1.644 173.700 175.328 0.028 0.000 1.026 378 H CA -0.570 55.504 56.048 0.044 0.000 1.376 378 H CB 1.039 30.787 29.762 -0.023 0.000 1.882 378 H HN 0.628 nan 8.280 nan 0.000 0.479 379 A N 3.062 125.659 122.820 -0.372 0.000 2.337 379 A HA 0.509 4.828 4.320 -0.000 0.000 0.329 379 A C -0.166 177.302 177.584 -0.193 0.000 1.146 379 A CA -0.324 51.585 52.037 -0.213 0.000 0.800 379 A CB 0.522 19.407 19.000 -0.193 0.000 1.220 379 A HN 0.944 nan 8.150 nan 0.000 0.472 380 S N 2.017 117.708 115.700 -0.015 0.000 2.885 380 S HA 0.191 4.660 4.470 -0.000 0.000 0.334 380 S C 0.584 175.283 174.600 0.166 0.000 1.224 380 S CA 0.544 58.794 58.200 0.083 0.000 1.080 380 S CB -0.832 62.338 63.200 -0.050 0.000 0.801 380 S HN 1.399 nan 8.310 nan 0.000 0.510 381 L N 0.084 121.507 121.223 0.333 0.000 4.291 381 L HA -0.244 4.096 4.340 -0.000 0.000 0.413 381 L C 1.924 178.891 176.870 0.162 0.000 1.162 381 L CA 0.746 55.775 54.840 0.315 0.000 0.961 381 L CB -2.911 39.262 42.059 0.189 0.000 2.095 381 L HN 0.873 nan 8.230 nan 0.000 0.838 382 T N -0.185 114.450 114.554 0.135 0.000 2.759 382 T HA -0.166 4.184 4.350 -0.000 0.000 0.269 382 T C 1.252 176.093 174.700 0.235 0.000 1.042 382 T CA 2.116 64.303 62.100 0.145 0.000 1.140 382 T CB -0.101 68.806 68.868 0.064 0.000 0.864 382 T HN 0.620 nan 8.240 nan 0.000 0.455 383 E N 1.471 121.874 120.200 0.338 0.000 2.359 383 E HA 0.157 4.506 4.350 -0.000 0.000 0.187 383 E C 0.293 177.046 176.600 0.256 0.000 1.081 383 E CA -0.241 56.379 56.400 0.367 0.000 0.929 383 E CB 0.131 30.128 29.700 0.494 0.000 1.086 383 E HN 0.542 nan 8.360 nan 0.000 0.462 384 S N -1.140 114.624 115.700 0.107 0.000 2.618 384 S HA 0.388 4.857 4.470 -0.000 0.000 0.277 384 S C 0.554 175.213 174.600 0.099 0.000 1.138 384 S CA -1.036 57.175 58.200 0.019 0.000 0.844 384 S CB 1.859 64.770 63.200 -0.481 0.000 1.127 384 S HN -0.001 nan 8.310 nan 0.000 0.474 385 R N 0.442 121.036 120.500 0.156 0.000 2.127 385 R HA -0.054 4.286 4.340 -0.000 0.000 0.238 385 R C 0.087 176.374 176.300 -0.022 0.000 1.134 385 R CA 1.581 57.705 56.100 0.039 0.000 0.975 385 R CB -0.486 29.851 30.300 0.061 0.000 0.865 385 R HN 0.634 nan 8.270 nan 0.000 0.447 386 D N 1.055 121.434 120.400 -0.036 0.000 2.344 386 D HA 0.057 4.696 4.640 -0.000 0.000 0.242 386 D C -0.194 176.105 176.300 -0.002 0.000 1.159 386 D CA 0.190 54.175 54.000 -0.025 0.000 0.859 386 D CB 0.007 40.790 40.800 -0.029 0.000 0.925 386 D HN 0.174 nan 8.370 nan 0.000 0.510 387 A N 1.851 124.671 122.820 0.000 0.000 2.524 387 A HA -0.029 4.291 4.320 -0.000 0.000 0.271 387 A C 1.020 178.630 177.584 0.043 0.000 1.097 387 A CA -0.127 51.933 52.037 0.038 0.000 0.791 387 A CB 0.023 19.051 19.000 0.047 0.000 1.028 387 A HN 0.085 nan 8.150 nan 0.000 0.518 388 D N 2.340 122.780 120.400 0.067 0.000 2.348 388 D HA 0.201 4.841 4.640 -0.000 0.000 0.211 388 D C 1.066 177.379 176.300 0.021 0.000 0.998 388 D CA 0.568 54.601 54.000 0.056 0.000 0.873 388 D CB -0.438 40.423 40.800 0.102 0.000 0.925 388 D HN 1.190 nan 8.370 nan 0.000 0.524 389 G N 0.856 109.662 108.800 0.010 0.000 2.372 389 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.297 389 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.297 389 G C 0.817 175.654 174.900 -0.104 0.000 1.005 389 G CA 0.565 45.642 45.100 -0.038 0.000 1.173 389 G HN 0.270 nan 8.290 nan 0.000 0.511 390 K N -1.688 118.621 120.400 -0.152 0.000 2.344 390 K HA 0.168 4.488 4.320 -0.000 0.000 0.200 390 K C 0.687 176.950 176.600 -0.562 0.000 1.132 390 K CA 0.589 56.672 56.287 -0.341 0.000 0.935 390 K CB 0.502 32.822 32.500 -0.299 0.000 1.089 390 K HN 0.542 nan 8.250 nan 0.000 0.496 391 W N 0.842 122.040 121.300 -0.171 0.000 2.761 391 W HA 0.515 5.175 4.660 -0.000 0.000 0.340 391 W C -0.884 175.533 176.519 -0.170 0.000 1.072 391 W CA -0.997 56.242 57.345 -0.177 0.000 1.215 391 W CB 1.329 30.636 29.460 -0.256 0.000 1.420 391 W HN -0.202 nan 8.180 nan 0.000 0.519 392 L N 3.485 124.839 121.223 0.218 0.000 2.409 392 L HA 0.731 5.071 4.340 -0.000 0.000 0.272 392 L C -1.439 175.512 176.870 0.136 0.000 0.980 392 L CA -0.756 54.117 54.840 0.056 0.000 0.826 392 L CB 1.709 43.697 42.059 -0.117 0.000 1.268 392 L HN 0.184 nan 8.230 nan 0.000 0.407 393 V N 5.557 125.550 119.914 0.131 0.000 2.417 393 V HA 0.579 4.699 4.120 -0.000 0.000 0.291 393 V C -0.535 175.632 176.094 0.122 0.000 1.024 393 V CA -0.678 61.710 62.300 0.146 0.000 0.861 393 V CB 1.863 33.768 31.823 0.138 0.000 0.985 393 V HN 0.511 nan 8.190 nan 0.000 0.436 394 V N 6.528 126.523 119.914 0.135 0.000 2.357 394 V HA 0.439 4.559 4.120 -0.000 0.000 0.284 394 V C -0.465 175.712 176.094 0.137 0.000 1.018 394 V CA -0.500 61.880 62.300 0.132 0.000 0.841 394 V CB 1.492 33.390 31.823 0.124 0.000 0.991 394 V HN 0.648 nan 8.190 nan 0.000 0.437 395 L N 4.785 126.084 121.223 0.126 0.000 2.272 395 L HA 0.461 4.801 4.340 -0.000 0.000 0.284 395 L C 0.645 177.594 176.870 0.132 0.000 1.045 395 L CA 0.665 55.575 54.840 0.118 0.000 0.842 395 L CB 1.021 43.102 42.059 0.036 0.000 1.224 395 L HN 0.578 nan 8.230 nan 0.000 0.430 396 S N 1.911 117.689 115.700 0.131 0.000 2.669 396 S HA 0.405 4.875 4.470 -0.000 0.000 0.270 396 S C 0.983 175.629 174.600 0.077 0.000 1.225 396 S CA -0.768 57.502 58.200 0.117 0.000 0.991 396 S CB 1.176 64.450 63.200 0.123 0.000 0.987 396 S HN 0.428 nan 8.310 nan 0.000 0.552 397 K N 0.011 120.419 120.400 0.013 0.000 2.358 397 K HA 0.311 4.631 4.320 -0.000 0.000 0.200 397 K C -0.867 175.513 176.600 -0.368 0.000 1.030 397 K CA 0.364 56.540 56.287 -0.184 0.000 1.097 397 K CB 0.135 32.488 32.500 -0.246 0.000 0.862 397 K HN 0.405 nan 8.250 nan 0.000 0.534 398 F N 0.132 120.158 119.950 0.126 0.000 2.565 398 F HA 0.154 4.681 4.527 -0.000 0.000 0.313 398 F C 1.224 177.160 175.800 0.228 0.000 1.091 398 F CA -0.885 57.184 58.000 0.114 0.000 0.915 398 F CB 2.099 41.124 39.000 0.042 0.000 1.208 398 F HN -0.154 nan 8.300 nan 0.000 0.453 399 S N 0.408 116.361 115.700 0.423 0.000 2.575 399 S HA 0.219 4.689 4.470 -0.000 0.000 0.230 399 S C 0.989 175.725 174.600 0.227 0.000 1.062 399 S CA 0.194 58.636 58.200 0.404 0.000 0.913 399 S CB 0.081 63.578 63.200 0.495 0.000 0.837 399 S HN 0.687 nan 8.310 nan 0.000 0.487 400 K N 1.652 122.143 120.400 0.152 0.000 3.138 400 K HA -0.288 4.032 4.320 -0.000 0.000 0.187 400 K C 0.497 177.117 176.600 0.033 0.000 0.767 400 K CA 2.292 58.560 56.287 -0.032 0.000 0.521 400 K CB -1.641 30.483 32.500 -0.627 0.000 0.757 400 K HN 0.626 nan 8.250 nan 0.000 0.792 401 D N 0.747 121.105 120.400 -0.069 0.000 2.369 401 D HA 0.023 4.663 4.640 -0.000 0.000 0.211 401 D C 1.281 177.548 176.300 -0.055 0.000 1.077 401 D CA 0.163 54.147 54.000 -0.027 0.000 0.842 401 D CB 0.098 40.881 40.800 -0.028 0.000 0.947 401 D HN 0.203 nan 8.370 nan 0.000 0.509 402 R N -0.224 120.208 120.500 -0.114 0.000 2.127 402 R HA 0.027 4.367 4.340 -0.000 0.000 0.238 402 R C 0.039 175.881 176.300 -0.763 0.000 1.134 402 R CA 0.804 56.614 56.100 -0.484 0.000 0.975 402 R CB -0.240 29.609 30.300 -0.751 0.000 0.865 402 R HN 0.257 nan 8.270 nan 0.000 0.447 403 F N -1.044 118.935 119.950 0.048 0.000 2.664 403 F HA 0.386 4.913 4.527 -0.000 0.000 0.329 403 F C 0.463 176.255 175.800 -0.013 0.000 1.090 403 F CA -1.303 56.705 58.000 0.013 0.000 0.978 403 F CB 0.391 39.400 39.000 0.015 0.000 1.378 403 F HN -0.328 nan 8.300 nan 0.000 0.495 404 L N 3.615 124.953 121.223 0.191 0.000 2.514 404 L HA 0.144 4.484 4.340 -0.000 0.000 0.280 404 L C -1.878 175.011 176.870 0.032 0.000 1.223 404 L CA -1.499 53.387 54.840 0.076 0.000 0.864 404 L CB -0.004 42.087 42.059 0.054 0.000 1.118 404 L HN 0.312 nan 8.230 nan 0.000 0.494 405 P HA 0.002 nan 4.420 nan 0.000 0.268 405 P C -0.107 177.156 177.300 -0.062 0.000 1.204 405 P CA -0.024 63.029 63.100 -0.079 0.000 0.768 405 P CB 1.061 32.725 31.700 -0.061 0.000 0.842 406 V N -0.809 119.046 119.914 -0.098 0.000 3.017 406 V HA 0.634 4.754 4.120 -0.000 0.000 0.354 406 V C 0.439 176.519 176.094 -0.022 0.000 1.389 406 V CA 0.155 62.430 62.300 -0.042 0.000 1.163 406 V CB -0.213 31.599 31.823 -0.017 0.000 1.178 406 V HN 0.978 nan 8.190 nan 0.000 0.547 407 G N 1.206 109.986 108.800 -0.034 0.000 2.498 407 G HA2 -0.035 3.925 3.960 -0.000 0.000 0.651 407 G HA3 -0.035 3.925 3.960 -0.000 0.000 0.651 407 G C -1.923 173.026 174.900 0.083 0.000 1.284 407 G CA -0.136 44.979 45.100 0.026 0.000 0.950 407 G HN 0.227 nan 8.290 nan 0.000 0.511 408 P HA 0.068 nan 4.420 nan 0.000 0.218 408 P C 1.181 178.679 177.300 0.331 0.000 1.149 408 P CA 0.573 63.803 63.100 0.216 0.000 0.817 408 P CB 0.188 31.963 31.700 0.126 0.000 0.785 409 L N 0.782 122.158 121.223 0.254 0.000 2.278 409 L HA 0.153 4.493 4.340 -0.000 0.000 0.287 409 L C 0.065 177.134 176.870 0.332 0.000 1.072 409 L CA -0.208 54.782 54.840 0.251 0.000 0.819 409 L CB 0.082 42.239 42.059 0.164 0.000 1.176 409 L HN 0.142 nan 8.230 nan 0.000 0.435 410 H N 5.078 124.206 119.070 0.096 0.000 2.502 410 H HA 0.440 4.996 4.556 -0.000 0.000 0.338 410 H C -2.093 173.299 175.328 0.107 0.000 1.155 410 H CA -1.992 54.128 56.048 0.120 0.000 1.237 410 H CB 1.649 31.499 29.762 0.148 0.000 1.534 410 H HN 0.510 nan 8.280 nan 0.000 0.523 411 P HA 0.056 nan 4.420 nan 0.000 0.279 411 P C -0.328 177.085 177.300 0.189 0.000 1.282 411 P CA -0.457 62.732 63.100 0.149 0.000 0.788 411 P CB 1.323 33.058 31.700 0.057 0.000 1.139 412 E N -0.273 120.005 120.200 0.129 0.000 2.302 412 E HA 0.354 4.703 4.350 -0.000 0.000 0.255 412 E C -0.337 176.423 176.600 0.266 0.000 1.099 412 E CA -0.535 55.959 56.400 0.156 0.000 0.929 412 E CB 0.187 29.931 29.700 0.073 0.000 1.203 412 E HN 0.364 nan 8.360 nan 0.000 0.459 413 N N 0.906 119.774 118.700 0.280 0.000 2.519 413 N HA 0.166 4.906 4.740 -0.000 0.000 0.286 413 N C -1.965 173.699 175.510 0.257 0.000 1.079 413 N CA -0.343 52.919 53.050 0.353 0.000 0.878 413 N CB 0.758 39.469 38.487 0.374 0.000 1.375 413 N HN 0.098 nan 8.380 nan 0.000 0.514 414 D N 2.306 122.873 120.400 0.279 0.000 2.392 414 D HA 0.224 4.864 4.640 -0.000 0.000 0.228 414 D C -0.333 176.130 176.300 0.272 0.000 1.074 414 D CA -0.084 54.090 54.000 0.290 0.000 0.838 414 D CB 1.213 42.291 40.800 0.465 0.000 1.067 414 D HN 0.474 nan 8.370 nan 0.000 0.511 415 Q N 1.114 121.039 119.800 0.208 0.000 2.241 415 Q HA 0.458 4.798 4.340 -0.000 0.000 0.254 415 Q C -0.466 175.643 176.000 0.181 0.000 0.917 415 Q CA -1.026 54.884 55.803 0.178 0.000 0.919 415 Q CB 2.400 31.205 28.738 0.112 0.000 1.237 415 Q HN 0.300 nan 8.270 nan 0.000 0.434 416 L N 3.580 124.912 121.223 0.182 0.000 2.292 416 L HA 0.478 4.818 4.340 -0.000 0.000 0.284 416 L C -1.226 175.767 176.870 0.205 0.000 1.065 416 L CA 0.069 54.995 54.840 0.144 0.000 0.806 416 L CB 0.701 42.750 42.059 -0.017 0.000 1.175 416 L HN 0.568 nan 8.230 nan 0.000 0.431 417 I N 4.051 124.779 120.570 0.263 0.000 2.545 417 I HA 0.284 4.454 4.170 -0.000 0.000 0.292 417 I C -0.781 175.525 176.117 0.314 0.000 1.040 417 I CA -0.775 60.675 61.300 0.249 0.000 1.068 417 I CB 1.944 40.029 38.000 0.142 0.000 1.251 417 I HN 0.514 nan 8.210 nan 0.000 0.424 418 D N 7.030 127.553 120.400 0.205 0.000 2.325 418 D HA 0.265 4.905 4.640 -0.000 0.000 0.251 418 D C 0.361 176.606 176.300 -0.091 0.000 1.196 418 D CA -0.037 53.921 54.000 -0.070 0.000 0.866 418 D CB 1.128 41.859 40.800 -0.115 0.000 1.101 418 D HN 0.571 nan 8.370 nan 0.000 0.476 419 I N 1.027 121.491 120.570 -0.177 0.000 3.966 419 I HA 0.121 4.291 4.170 -0.000 0.000 0.324 419 I C 1.152 177.201 176.117 -0.113 0.000 1.517 419 I CA -0.443 60.790 61.300 -0.113 0.000 1.117 419 I CB 0.318 38.185 38.000 -0.221 0.000 1.190 419 I HN 0.119 nan 8.210 nan 0.000 0.466 420 S N 0.318 115.904 115.700 -0.190 0.000 2.515 420 S HA 0.229 4.699 4.470 -0.000 0.000 0.231 420 S C 1.070 175.624 174.600 -0.078 0.000 0.987 420 S CA 0.366 58.474 58.200 -0.153 0.000 0.936 420 S CB -0.412 62.654 63.200 -0.224 0.000 0.766 420 S HN 0.589 nan 8.310 nan 0.000 0.528 421 G N 0.310 109.076 108.800 -0.056 0.000 2.753 421 G HA2 0.457 4.417 3.960 -0.000 0.000 0.285 421 G HA3 0.457 4.417 3.960 -0.000 0.000 0.285 421 G C 0.154 175.062 174.900 0.013 0.000 1.344 421 G CA -0.425 44.661 45.100 -0.022 0.000 1.050 421 G HN 0.218 nan 8.290 nan 0.000 0.532 422 E N -0.726 119.483 120.200 0.015 0.000 2.107 422 E HA -0.027 4.323 4.350 -0.000 0.000 0.191 422 E C 0.391 177.015 176.600 0.040 0.000 0.982 422 E CA 0.701 57.116 56.400 0.026 0.000 0.809 422 E CB 0.090 29.800 29.700 0.016 0.000 0.756 422 E HN 0.510 nan 8.360 nan 0.000 0.459 423 E N 0.322 120.543 120.200 0.036 0.000 2.214 423 E HA 0.276 4.626 4.350 -0.000 0.000 0.274 423 E C -0.644 175.992 176.600 0.061 0.000 0.977 423 E CA -0.502 55.926 56.400 0.047 0.000 0.827 423 E CB 1.642 31.361 29.700 0.033 0.000 1.130 423 E HN 0.100 nan 8.360 nan 0.000 0.394 424 M N 2.326 121.977 119.600 0.084 0.000 2.180 424 M HA 0.273 4.753 4.480 -0.000 0.000 0.358 424 M C -0.366 175.977 176.300 0.071 0.000 1.233 424 M CA 0.169 55.526 55.300 0.095 0.000 1.114 424 M CB 0.728 33.412 32.600 0.140 0.000 1.594 424 M HN 0.107 nan 8.290 nan 0.000 0.467 425 K N 2.837 123.277 120.400 0.067 0.000 2.397 425 K HA 0.458 4.778 4.320 -0.000 0.000 0.253 425 K C -1.313 175.345 176.600 0.097 0.000 0.932 425 K CA -0.972 55.356 56.287 0.069 0.000 0.795 425 K CB 2.560 35.094 32.500 0.056 0.000 1.159 425 K HN 0.448 nan 8.250 nan 0.000 0.424 426 L N 3.622 124.898 121.223 0.087 0.000 2.416 426 L HA 0.066 4.406 4.340 -0.000 0.000 0.272 426 L C 0.183 177.129 176.870 0.126 0.000 1.161 426 L CA 0.667 55.566 54.840 0.099 0.000 0.845 426 L CB 1.081 43.175 42.059 0.059 0.000 1.119 426 L HN 0.622 nan 8.230 nan 0.000 0.464 427 V N 3.899 123.916 119.914 0.171 0.000 3.371 427 V HA 0.256 4.376 4.120 -0.000 0.000 0.246 427 V C 0.096 176.328 176.094 0.230 0.000 1.303 427 V CA 0.116 62.538 62.300 0.203 0.000 1.156 427 V CB -0.106 31.885 31.823 0.280 0.000 0.929 427 V HN 0.874 nan 8.190 nan 0.000 0.459 428 H N 0.233 119.350 119.070 0.078 0.000 3.085 428 H HA 0.386 4.941 4.556 -0.000 0.000 0.356 428 H C -1.996 173.382 175.328 0.083 0.000 1.178 428 H CA -0.409 55.678 56.048 0.065 0.000 1.214 428 H CB 2.431 32.205 29.762 0.019 0.000 1.881 428 H HN 0.161 nan 8.280 nan 0.000 0.538 429 D N 2.223 122.374 120.400 -0.415 0.000 2.427 429 D HA 0.337 4.977 4.640 -0.000 0.000 0.226 429 D C 0.026 176.286 176.300 -0.067 0.000 1.076 429 D CA -0.013 53.921 54.000 -0.110 0.000 0.849 429 D CB 1.431 42.188 40.800 -0.071 0.000 1.052 429 D HN 0.615 nan 8.370 nan 0.000 0.515 430 G N 3.135 112.060 108.800 0.208 0.000 2.468 430 G HA2 0.426 4.386 3.960 -0.000 0.000 0.320 430 G HA3 0.426 4.386 3.960 -0.000 0.000 0.320 430 G C -2.556 172.412 174.900 0.114 0.000 1.137 430 G CA -1.394 43.835 45.100 0.216 0.000 0.984 430 G HN 0.182 nan 8.290 nan 0.000 0.462 431 P HA 0.242 nan 4.420 nan 0.000 0.271 431 P C -0.352 176.827 177.300 -0.203 0.000 1.220 431 P CA 0.136 62.910 63.100 -0.543 0.000 0.768 431 P CB 1.598 32.469 31.700 -1.381 0.000 0.848 432 T N 2.964 117.483 114.554 -0.057 0.000 2.900 432 T HA 0.298 4.647 4.350 -0.000 0.000 0.295 432 T C -0.844 173.898 174.700 0.070 0.000 1.044 432 T CA -0.208 61.904 62.100 0.021 0.000 0.995 432 T CB 1.070 70.002 68.868 0.107 0.000 1.072 432 T HN 0.265 nan 8.240 nan 0.000 0.473 433 Y N 2.244 122.518 120.300 -0.043 0.000 2.334 433 Y HA 0.489 5.038 4.550 -0.000 0.000 0.325 433 Y C 0.698 176.571 175.900 -0.045 0.000 1.308 433 Y CA -0.338 57.739 58.100 -0.039 0.000 1.389 433 Y CB 0.418 38.849 38.460 -0.049 0.000 1.328 433 Y HN 0.975 nan 8.280 nan 0.000 0.532 434 A N 3.757 125.959 122.820 -1.030 0.000 1.949 434 A HA -0.295 4.025 4.320 -0.000 0.000 0.255 434 A C 0.501 177.848 177.584 -0.394 0.000 1.286 434 A CA 1.255 52.804 52.037 -0.812 0.000 0.755 434 A CB -1.969 16.553 19.000 -0.797 0.000 1.161 434 A HN 0.875 nan 8.150 nan 0.000 0.308 435 E N 0.062 120.103 120.200 -0.264 0.000 0.724 435 E HA -0.200 4.150 4.350 -0.000 0.000 0.339 435 E C -1.766 174.679 176.600 -0.258 0.000 0.770 435 E CA 0.718 56.995 56.400 -0.205 0.000 1.262 435 E CB -0.026 29.580 29.700 -0.156 0.000 0.520 435 E HN 0.614 nan 8.360 nan 0.000 0.346 436 P HA 0.139 nan 4.420 nan 0.000 0.281 436 P C -0.252 176.849 177.300 -0.332 0.000 1.264 436 P CA -0.295 62.724 63.100 -0.134 0.000 0.824 436 P CB 1.128 32.871 31.700 0.072 0.000 1.092 437 H N -0.750 118.210 119.070 -0.184 0.000 3.309 437 H HA 0.205 4.761 4.556 -0.000 0.000 0.195 437 H C -0.030 175.062 175.328 -0.393 0.000 1.202 437 H CA 0.484 56.428 56.048 -0.173 0.000 1.470 437 H CB -0.158 29.469 29.762 -0.225 0.000 1.411 437 H HN 0.430 nan 8.280 nan 0.000 0.477 438 D N 0.177 120.245 120.400 -0.554 0.000 2.440 438 D HA 0.376 5.016 4.640 -0.000 0.000 0.258 438 D C -0.372 175.579 176.300 -0.582 0.000 1.092 438 D CA -0.366 53.204 54.000 -0.717 0.000 1.016 438 D CB 1.680 41.987 40.800 -0.821 0.000 1.141 438 D HN 0.511 nan 8.370 nan 0.000 0.552 439 C N 0.334 119.233 119.300 -0.669 0.000 3.311 439 C HA 0.815 5.274 4.460 -0.000 0.000 0.325 439 C C -1.114 173.336 174.990 -0.899 0.000 1.352 439 C CA -0.961 57.594 59.018 -0.772 0.000 1.308 439 C CB 0.006 26.876 27.740 -1.449 0.000 1.619 439 C HN 0.655 nan 8.230 nan 0.000 0.469 440 I N 1.427 121.644 120.570 -0.589 0.000 2.619 440 I HA 0.693 4.863 4.170 -0.000 0.000 0.292 440 I C -1.381 174.710 176.117 -0.043 0.000 1.100 440 I CA -1.049 59.925 61.300 -0.544 0.000 1.043 440 I CB 1.693 39.561 38.000 -0.221 0.000 1.239 440 I HN 0.812 nan 8.210 nan 0.000 0.420 441 L N 7.496 128.857 121.223 0.229 0.000 2.331 441 L HA 0.779 5.119 4.340 -0.000 0.000 0.275 441 L C -0.787 176.374 176.870 0.485 0.000 1.022 441 L CA -0.984 54.075 54.840 0.365 0.000 0.812 441 L CB 1.747 44.019 42.059 0.354 0.000 1.257 441 L HN 0.457 nan 8.230 nan 0.000 0.435 442 V N -0.554 119.669 119.914 0.516 0.000 2.888 442 V HA 0.530 4.650 4.120 -0.000 0.000 0.309 442 V C -0.332 176.041 176.094 0.464 0.000 1.114 442 V CA -1.102 61.514 62.300 0.527 0.000 0.940 442 V CB 1.825 33.877 31.823 0.382 0.000 1.021 442 V HN 0.712 nan 8.190 nan 0.000 0.426 443 R N 1.907 122.599 120.500 0.321 0.000 2.623 443 R HA 0.177 4.517 4.340 -0.000 0.000 0.271 443 R C 1.626 178.000 176.300 0.123 0.000 1.043 443 R CA 0.294 56.403 56.100 0.014 0.000 1.083 443 R CB 0.546 30.840 30.300 -0.010 0.000 0.974 443 R HN 0.919 nan 8.270 nan 0.000 0.436 444 R N 2.207 122.706 120.500 -0.003 0.000 2.133 444 R HA -0.220 4.120 4.340 -0.000 0.000 0.247 444 R C 0.679 177.083 176.300 0.173 0.000 1.151 444 R CA 2.559 58.713 56.100 0.089 0.000 0.971 444 R CB -0.145 30.094 30.300 -0.103 0.000 0.866 444 R HN 0.734 nan 8.270 nan 0.000 0.447 445 D N -0.746 119.700 120.400 0.077 0.000 2.363 445 D HA -0.105 4.534 4.640 -0.000 0.000 0.226 445 D C 1.108 177.460 176.300 0.086 0.000 1.020 445 D CA 0.504 54.546 54.000 0.069 0.000 0.892 445 D CB 0.046 40.863 40.800 0.029 0.000 0.900 445 D HN 0.444 nan 8.370 nan 0.000 0.531 446 Q N -0.280 119.597 119.800 0.128 0.000 2.408 446 Q HA 0.148 4.488 4.340 -0.000 0.000 0.205 446 Q C 0.085 176.133 176.000 0.080 0.000 0.919 446 Q CA 0.210 56.089 55.803 0.126 0.000 0.932 446 Q CB 0.981 29.843 28.738 0.207 0.000 1.058 446 Q HN 0.352 nan 8.270 nan 0.000 0.517 447 I N 1.195 121.809 120.570 0.072 0.000 2.404 447 I HA 0.276 4.446 4.170 -0.000 0.000 0.293 447 I C -0.312 175.798 176.117 -0.012 0.000 0.992 447 I CA -0.538 60.744 61.300 -0.030 0.000 1.149 447 I CB 1.738 39.614 38.000 -0.206 0.000 1.315 447 I HN -0.112 nan 8.210 nan 0.000 0.446 448 K N 4.415 124.785 120.400 -0.051 0.000 2.478 448 K HA 0.379 4.699 4.320 -0.000 0.000 0.236 448 K C -0.252 176.311 176.600 -0.061 0.000 1.021 448 K CA -0.367 55.898 56.287 -0.037 0.000 1.010 448 K CB 1.350 33.827 32.500 -0.039 0.000 1.331 448 K HN 0.515 nan 8.250 nan 0.000 0.470 449 T N 1.974 116.502 114.554 -0.044 0.000 2.868 449 T HA 0.191 4.541 4.350 -0.000 0.000 0.292 449 T C 0.033 174.697 174.700 -0.061 0.000 1.028 449 T CA -0.150 61.916 62.100 -0.058 0.000 1.059 449 T CB 0.680 69.537 68.868 -0.019 0.000 0.991 449 T HN 0.288 nan 8.240 nan 0.000 0.531 450 K N 1.167 121.512 120.400 -0.091 0.000 2.259 450 K HA 0.425 4.744 4.320 -0.000 0.000 0.249 450 K C 0.407 176.933 176.600 -0.123 0.000 0.942 450 K CA -0.836 55.388 56.287 -0.106 0.000 0.816 450 K CB 1.734 34.149 32.500 -0.142 0.000 1.155 450 K HN 0.222 nan 8.250 nan 0.000 0.428 451 K N 0.989 121.329 120.400 -0.100 0.000 2.276 451 K HA 0.197 4.517 4.320 -0.000 0.000 0.198 451 K C 0.257 176.790 176.600 -0.112 0.000 1.052 451 K CA 0.434 56.668 56.287 -0.088 0.000 0.984 451 K CB 0.311 32.785 32.500 -0.044 0.000 0.836 451 K HN 0.607 nan 8.250 nan 0.000 0.490 452 I N -2.454 118.051 120.570 -0.108 0.000 2.730 452 I HA 0.413 4.582 4.170 -0.000 0.000 0.298 452 I C -1.084 174.986 176.117 -0.078 0.000 1.089 452 I CA -1.170 60.090 61.300 -0.067 0.000 1.041 452 I CB 1.454 39.463 38.000 0.015 0.000 1.235 452 I HN -0.172 nan 8.210 nan 0.000 0.423 453 Y N 2.807 123.164 120.300 0.096 0.000 2.397 453 Y HA 0.311 4.860 4.550 -0.000 0.000 0.335 453 Y C 0.547 176.542 175.900 0.157 0.000 1.213 453 Y CA 0.221 58.419 58.100 0.163 0.000 1.391 453 Y CB 0.617 39.244 38.460 0.279 0.000 1.293 453 Y HN 0.518 nan 8.280 nan 0.000 0.557 454 E N 2.956 123.351 120.200 0.325 0.000 2.249 454 E HA 0.176 4.526 4.350 -0.000 0.000 0.280 454 E C 0.507 177.280 176.600 0.288 0.000 1.016 454 E CA -0.746 55.781 56.400 0.211 0.000 0.830 454 E CB 0.986 30.753 29.700 0.112 0.000 1.081 454 E HN 0.521 nan 8.360 nan 0.000 0.395 455 R N 1.602 122.247 120.500 0.242 0.000 2.293 455 R HA -0.128 4.212 4.340 -0.000 0.000 0.219 455 R C 0.930 177.353 176.300 0.205 0.000 1.091 455 R CA 0.888 57.168 56.100 0.301 0.000 1.004 455 R CB -0.634 29.776 30.300 0.183 0.000 0.865 455 R HN 0.642 nan 8.270 nan 0.000 0.469 456 N N -0.109 118.626 118.700 0.059 0.000 2.273 456 N HA -0.002 4.738 4.740 -0.000 0.000 0.231 456 N C -0.338 175.069 175.510 -0.171 0.000 1.134 456 N CA -0.394 52.627 53.050 -0.047 0.000 0.856 456 N CB 0.434 38.913 38.487 -0.013 0.000 1.068 456 N HN -0.083 nan 8.380 nan 0.000 0.510 457 D N 1.831 122.046 120.400 -0.308 0.000 2.399 457 D HA 0.062 4.702 4.640 -0.000 0.000 0.241 457 D C -1.412 174.578 176.300 -0.517 0.000 1.133 457 D CA -1.501 52.295 54.000 -0.340 0.000 0.890 457 D CB 1.802 42.494 40.800 -0.181 0.000 1.201 457 D HN 0.029 nan 8.370 nan 0.000 0.432 458 P HA -0.127 nan 4.420 nan 0.000 0.220 458 P C 0.962 178.226 177.300 -0.060 0.000 1.148 458 P CA 0.629 63.653 63.100 -0.127 0.000 0.803 458 P CB -0.030 31.653 31.700 -0.029 0.000 0.782 459 Y N 0.454 120.628 120.300 -0.210 0.000 2.651 459 Y HA -0.074 4.476 4.550 -0.000 0.000 0.296 459 Y C 0.703 176.646 175.900 0.071 0.000 1.150 459 Y CA 0.325 58.409 58.100 -0.026 0.000 1.348 459 Y CB -0.924 37.605 38.460 0.114 0.000 0.983 459 Y HN 0.021 nan 8.280 nan 0.000 0.555 460 F N -4.763 115.187 119.950 0.000 0.000 2.779 460 F HA 0.586 5.113 4.527 -0.000 0.000 0.345 460 F C 1.104 176.894 175.800 -0.016 0.000 1.270 460 F CA -0.268 57.681 58.000 -0.084 0.000 1.074 460 F CB -0.943 37.956 39.000 -0.169 0.000 1.268 460 F HN -0.199 nan 8.300 nan 0.000 0.508 461 A N 0.832 123.613 122.820 -0.064 0.000 1.972 461 A HA -0.119 4.200 4.320 -0.000 0.000 0.219 461 A C 2.329 179.933 177.584 0.033 0.000 1.169 461 A CA 2.246 54.260 52.037 -0.039 0.000 0.635 461 A CB -0.925 18.041 19.000 -0.056 0.000 0.810 461 A HN 0.568 nan 8.150 nan 0.000 0.446 462 S N -1.041 114.692 115.700 0.055 0.000 2.406 462 S HA -0.169 4.300 4.470 -0.000 0.000 0.228 462 S C 1.892 176.556 174.600 0.106 0.000 1.020 462 S CA 1.183 59.421 58.200 0.064 0.000 0.965 462 S CB -1.184 62.048 63.200 0.054 0.000 0.798 462 S HN 0.577 nan 8.310 nan 0.000 0.488 463 C N 3.073 122.471 119.300 0.163 0.000 2.432 463 C HA -0.006 4.454 4.460 -0.000 0.000 0.277 463 C C 2.995 178.042 174.990 0.094 0.000 1.249 463 C CA 1.095 60.246 59.018 0.221 0.000 1.725 463 C CB -1.089 26.813 27.740 0.270 0.000 2.028 463 C HN 0.748 nan 8.230 nan 0.000 0.477 464 R N 1.527 122.093 120.500 0.110 0.000 2.276 464 R HA 0.154 4.494 4.340 -0.000 0.000 0.203 464 R C 1.927 178.224 176.300 -0.004 0.000 1.017 464 R CA 1.223 57.347 56.100 0.040 0.000 1.010 464 R CB -0.450 29.897 30.300 0.078 0.000 0.900 464 R HN 0.423 nan 8.270 nan 0.000 0.469 465 A N 1.467 124.295 122.820 0.014 0.000 1.929 465 A HA -0.173 4.146 4.320 -0.000 0.000 0.216 465 A C 2.169 179.743 177.584 -0.017 0.000 1.176 465 A CA 1.261 53.297 52.037 -0.002 0.000 0.628 465 A CB -0.263 18.744 19.000 0.011 0.000 0.816 465 A HN 0.328 nan 8.150 nan 0.000 0.444 466 Q N -0.121 119.674 119.800 -0.010 0.000 2.187 466 Q HA 0.131 4.471 4.340 -0.000 0.000 0.199 466 Q C 1.955 177.906 176.000 -0.081 0.000 0.957 466 Q CA 1.751 57.542 55.803 -0.020 0.000 0.857 466 Q CB -0.572 28.182 28.738 0.027 0.000 0.929 466 Q HN 0.504 nan 8.270 nan 0.000 0.453 467 A N 0.303 123.037 122.820 -0.142 0.000 1.902 467 A HA -0.216 4.103 4.320 -0.000 0.000 0.217 467 A C 2.035 179.477 177.584 -0.238 0.000 1.181 467 A CA 1.815 53.678 52.037 -0.289 0.000 0.623 467 A CB -0.787 18.054 19.000 -0.266 0.000 0.818 467 A HN 0.485 nan 8.150 nan 0.000 0.443 468 E N 0.456 120.573 120.200 -0.138 0.000 2.038 468 E HA -0.205 4.145 4.350 -0.000 0.000 0.195 468 E C 1.926 178.465 176.600 -0.102 0.000 1.000 468 E CA 2.073 58.409 56.400 -0.107 0.000 0.803 468 E CB -0.282 29.378 29.700 -0.066 0.000 0.750 468 E HN 0.613 nan 8.360 nan 0.000 0.448 469 K N 0.000 120.352 120.400 -0.080 0.000 2.063 469 K HA -0.147 4.173 4.320 -0.000 0.000 0.208 469 K C 1.511 178.062 176.600 -0.081 0.000 1.048 469 K CA 1.438 57.686 56.287 -0.064 0.000 0.928 469 K CB -0.128 32.349 32.500 -0.040 0.000 0.713 469 K HN 0.217 nan 8.250 nan 0.000 0.442 470 D N -0.336 119.994 120.400 -0.117 0.000 2.349 470 D HA 0.009 4.649 4.640 -0.000 0.000 0.224 470 D C 0.657 176.842 176.300 -0.191 0.000 1.029 470 D CA 0.655 54.570 54.000 -0.142 0.000 0.879 470 D CB 0.335 41.038 40.800 -0.163 0.000 0.906 470 D HN 0.394 nan 8.370 nan 0.000 0.528 471 G N 1.413 110.103 108.800 -0.182 0.000 2.295 471 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.287 471 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.287 471 G C 0.378 175.141 174.900 -0.229 0.000 1.055 471 G CA 0.609 45.608 45.100 -0.169 0.000 0.922 471 G HN 0.390 nan 8.290 nan 0.000 0.503 472 V N -3.067 116.644 119.914 -0.338 0.000 2.628 472 V HA 0.899 5.019 4.120 -0.000 0.000 0.306 472 V C 0.255 176.169 176.094 -0.301 0.000 1.045 472 V CA -0.501 61.559 62.300 -0.399 0.000 0.905 472 V CB 2.195 33.554 31.823 -0.773 0.000 0.997 472 V HN 0.341 nan 8.190 nan 0.000 0.436 473 T N 5.923 120.349 114.554 -0.214 0.000 2.811 473 T HA 0.423 4.772 4.350 -0.000 0.000 0.309 473 T C 1.291 175.911 174.700 -0.134 0.000 1.005 473 T CA -0.139 61.877 62.100 -0.140 0.000 0.955 473 T CB 0.723 69.534 68.868 -0.095 0.000 0.970 473 T HN 0.661 nan 8.240 nan 0.000 0.496 474 L N 2.254 123.402 121.223 -0.124 0.000 2.081 474 L HA -0.167 4.173 4.340 -0.000 0.000 0.212 474 L C 2.098 178.935 176.870 -0.055 0.000 1.080 474 L CA 1.441 56.229 54.840 -0.086 0.000 0.754 474 L CB -0.285 41.740 42.059 -0.058 0.000 0.893 474 L HN 0.533 nan 8.230 nan 0.000 0.433 475 E N -0.881 119.294 120.200 -0.042 0.000 2.511 475 E HA -0.073 4.277 4.350 -0.000 0.000 0.196 475 E C 1.588 178.173 176.600 -0.025 0.000 1.066 475 E CA 0.836 57.221 56.400 -0.026 0.000 0.871 475 E CB 0.111 29.805 29.700 -0.009 0.000 0.863 475 E HN 0.543 nan 8.360 nan 0.000 0.520 476 S N -1.952 113.726 115.700 -0.037 0.000 2.560 476 S HA 0.123 4.593 4.470 -0.000 0.000 0.281 476 S C 0.232 174.809 174.600 -0.038 0.000 1.075 476 S CA -0.598 57.583 58.200 -0.032 0.000 1.295 476 S CB 0.346 63.528 63.200 -0.029 0.000 1.156 476 S HN -0.091 nan 8.310 nan 0.000 0.627 477 D N 2.972 123.336 120.400 -0.061 0.000 2.329 477 D HA 0.441 5.081 4.640 -0.000 0.000 0.246 477 D C -0.583 175.695 176.300 -0.036 0.000 1.111 477 D CA 0.039 53.998 54.000 -0.068 0.000 0.941 477 D CB 0.443 41.163 40.800 -0.132 0.000 1.169 477 D HN 0.189 nan 8.370 nan 0.000 0.441 478 N N 1.667 120.353 118.700 -0.024 0.000 2.675 478 N HA 0.162 4.902 4.740 -0.000 0.000 0.254 478 N C -0.905 174.604 175.510 -0.000 0.000 1.224 478 N CA -0.315 52.737 53.050 0.002 0.000 0.777 478 N CB 1.347 39.842 38.487 0.014 0.000 1.256 478 N HN 0.210 nan 8.380 nan 0.000 0.531 479 K N 0.053 120.461 120.400 0.015 0.000 2.395 479 K HA 0.705 5.025 4.320 -0.000 0.000 0.245 479 K C -0.750 175.873 176.600 0.037 0.000 1.017 479 K CA -0.908 55.388 56.287 0.014 0.000 0.852 479 K CB 2.566 35.051 32.500 -0.026 0.000 1.311 479 K HN -0.103 nan 8.250 nan 0.000 0.452 480 V N 2.478 122.402 119.914 0.018 0.000 2.482 480 V HA 0.418 4.538 4.120 -0.000 0.000 0.295 480 V C -0.816 175.289 176.094 0.017 0.000 1.026 480 V CA -0.696 61.600 62.300 -0.006 0.000 0.856 480 V CB 1.281 33.104 31.823 -0.000 0.000 1.001 480 V HN 0.592 nan 8.190 nan 0.000 0.424 481 I N 5.005 125.592 120.570 0.028 0.000 2.362 481 I HA 0.538 4.708 4.170 -0.000 0.000 0.289 481 I C 0.091 176.211 176.117 0.004 0.000 0.994 481 I CA -0.610 60.705 61.300 0.025 0.000 1.158 481 I CB 1.738 39.773 38.000 0.059 0.000 1.315 481 I HN 0.451 nan 8.210 nan 0.000 0.451 482 R N 3.765 124.265 120.500 0.001 0.000 2.255 482 R HA 0.287 4.627 4.340 -0.000 0.000 0.326 482 R C -0.925 175.371 176.300 -0.007 0.000 0.986 482 R CA -0.581 55.516 56.100 -0.004 0.000 0.847 482 R CB 1.200 31.501 30.300 0.002 0.000 1.111 482 R HN 0.458 nan 8.270 nan 0.000 0.452 483 D N 2.716 123.108 120.400 -0.014 0.000 2.517 483 D HA 0.253 4.893 4.640 -0.000 0.000 0.301 483 D C 0.911 177.201 176.300 -0.017 0.000 1.202 483 D CA 0.506 54.498 54.000 -0.014 0.000 0.910 483 D CB 0.492 41.283 40.800 -0.014 0.000 1.021 483 D HN 0.708 nan 8.370 nan 0.000 0.499 484 G N 3.143 111.935 108.800 -0.013 0.000 2.687 484 G HA2 -0.404 3.555 3.960 -0.000 0.000 0.303 484 G HA3 -0.404 3.555 3.960 -0.000 0.000 0.303 484 G C 1.074 175.965 174.900 -0.015 0.000 1.209 484 G CA 0.327 45.420 45.100 -0.013 0.000 0.968 484 G HN 0.481 nan 8.290 nan 0.000 0.549 485 N N 1.814 120.502 118.700 -0.021 0.000 2.424 485 N HA 0.058 4.798 4.740 -0.000 0.000 0.178 485 N C 0.570 176.055 175.510 -0.042 0.000 1.060 485 N CA 0.721 53.756 53.050 -0.025 0.000 0.901 485 N CB 0.306 38.778 38.487 -0.025 0.000 0.979 485 N HN 0.551 nan 8.380 nan 0.000 0.451 486 K N 1.268 121.641 120.400 -0.045 0.000 2.172 486 K HA 0.465 4.785 4.320 -0.000 0.000 0.276 486 K C -0.670 175.892 176.600 -0.064 0.000 1.013 486 K CA -0.324 55.924 56.287 -0.065 0.000 0.913 486 K CB 2.475 34.941 32.500 -0.055 0.000 1.055 486 K HN -0.270 nan 8.250 nan 0.000 0.461 487 V N 3.855 123.710 119.914 -0.099 0.000 2.524 487 V HA 0.314 4.434 4.120 -0.000 0.000 0.297 487 V C -0.590 175.409 176.094 -0.157 0.000 1.035 487 V CA -0.863 61.380 62.300 -0.096 0.000 0.867 487 V CB 1.614 33.395 31.823 -0.071 0.000 1.004 487 V HN 0.697 nan 8.190 nan 0.000 0.426 488 R N 3.359 123.783 120.500 -0.126 0.000 2.343 488 R HA 0.730 5.070 4.340 -0.000 0.000 0.320 488 R C -1.240 174.909 176.300 -0.252 0.000 0.956 488 R CA -0.582 55.408 56.100 -0.183 0.000 0.836 488 R CB 2.236 32.495 30.300 -0.069 0.000 1.151 488 R HN 0.503 nan 8.270 nan 0.000 0.450 489 V N 4.664 124.324 119.914 -0.423 0.000 2.384 489 V HA 0.329 4.449 4.120 -0.000 0.000 0.287 489 V C -0.966 174.854 176.094 -0.458 0.000 1.020 489 V CA -0.799 61.229 62.300 -0.454 0.000 0.850 489 V CB 1.059 32.411 31.823 -0.785 0.000 0.987 489 V HN 0.601 nan 8.190 nan 0.000 0.436 490 Y N 4.803 124.989 120.300 -0.190 0.000 2.328 490 Y HA 0.706 5.255 4.550 -0.000 0.000 0.337 490 Y C 0.205 176.008 175.900 -0.163 0.000 0.966 490 Y CA -0.441 57.568 58.100 -0.151 0.000 1.136 490 Y CB 1.725 40.081 38.460 -0.173 0.000 1.170 490 Y HN 0.484 nan 8.280 nan 0.000 0.470 491 M N 1.749 121.324 119.600 -0.043 0.000 2.591 491 M HA 0.467 4.947 4.480 -0.000 0.000 0.306 491 M C -0.509 175.790 176.300 -0.003 0.000 1.190 491 M CA -0.573 54.700 55.300 -0.044 0.000 0.889 491 M CB 2.652 35.177 32.600 -0.125 0.000 1.728 491 M HN 0.591 nan 8.290 nan 0.000 0.458 492 T N 0.923 115.493 114.554 0.028 0.000 2.940 492 T HA 0.739 5.089 4.350 -0.000 0.000 0.288 492 T C -1.109 173.609 174.700 0.030 0.000 1.033 492 T CA -0.503 61.606 62.100 0.014 0.000 1.033 492 T CB 1.092 69.962 68.868 0.004 0.000 1.079 492 T HN 0.740 nan 8.240 nan 0.000 0.496 493 S N 1.721 117.403 115.700 -0.030 0.000 2.571 493 S HA 0.803 5.273 4.470 -0.000 0.000 0.284 493 S C -0.803 173.682 174.600 -0.190 0.000 1.128 493 S CA -0.667 57.439 58.200 -0.156 0.000 0.970 493 S CB 1.081 64.112 63.200 -0.282 0.000 1.039 493 S HN 1.052 nan 8.310 nan 0.000 0.485 494 V N -0.613 119.171 119.914 -0.216 0.000 3.178 494 V HA 0.977 5.097 4.120 -0.000 0.000 0.302 494 V C 0.707 176.738 176.094 -0.106 0.000 1.262 494 V CA -0.450 61.797 62.300 -0.088 0.000 1.030 494 V CB 0.422 32.231 31.823 -0.023 0.000 1.074 494 V HN 2.592 nan 8.190 nan 0.000 0.438 495 A N 2.232 125.059 122.820 0.011 0.000 5.649 495 A HA -0.129 4.191 4.320 -0.000 0.000 0.334 495 A C -1.413 176.046 177.584 -0.210 0.000 1.768 495 A CA 1.651 53.651 52.037 -0.062 0.000 0.782 495 A CB -2.724 16.213 19.000 -0.105 0.000 1.376 495 A HN 1.417 nan 8.150 nan 0.000 0.413 496 P HA 0.286 nan 4.420 nan 0.000 0.236 496 P C -0.607 176.555 177.300 -0.229 0.000 1.749 496 P CA 0.411 63.305 63.100 -0.344 0.000 0.994 496 P CB 0.015 31.423 31.700 -0.486 0.000 1.599 497 Q N -0.133 119.522 119.800 -0.242 0.000 2.315 497 Q HA 0.374 4.714 4.340 -0.000 0.000 0.273 497 Q C -1.142 174.742 176.000 -0.194 0.000 1.053 497 Q CA -0.780 54.919 55.803 -0.174 0.000 0.817 497 Q CB 1.836 30.530 28.738 -0.073 0.000 1.326 497 Q HN 0.049 nan 8.270 nan 0.000 0.423 498 Y N -0.385 119.923 120.300 0.014 0.000 2.301 498 Y HA 0.257 4.807 4.550 -0.000 0.000 0.325 498 Y C 1.515 177.438 175.900 0.039 0.000 1.203 498 Y CA 0.313 58.440 58.100 0.045 0.000 1.255 498 Y CB 1.006 39.586 38.460 0.199 0.000 1.232 498 Y HN 0.923 nan 8.280 nan 0.000 0.501 499 G N 2.015 110.930 108.800 0.190 0.000 2.708 499 G HA2 -0.026 3.934 3.960 -0.000 0.000 0.210 499 G HA3 -0.026 3.934 3.960 -0.000 0.000 0.210 499 G C 0.101 175.073 174.900 0.119 0.000 1.141 499 G CA 0.189 45.353 45.100 0.107 0.000 0.788 499 G HN 0.515 nan 8.290 nan 0.000 0.531 500 M N 0.119 119.831 119.600 0.186 0.000 2.371 500 M HA 0.315 4.795 4.480 -0.000 0.000 0.287 500 M C 0.130 176.608 176.300 0.297 0.000 1.149 500 M CA -0.439 54.971 55.300 0.184 0.000 0.929 500 M CB 2.067 34.741 32.600 0.124 0.000 1.683 500 M HN 0.001 nan 8.290 nan 0.000 0.470 501 T N -1.233 113.462 114.554 0.235 0.000 3.145 501 T HA 0.375 4.724 4.350 -0.000 0.000 0.281 501 T C -0.537 174.234 174.700 0.119 0.000 1.003 501 T CA -0.278 61.934 62.100 0.188 0.000 0.901 501 T CB -0.036 68.875 68.868 0.071 0.000 1.112 501 T HN 0.656 nan 8.240 nan 0.000 0.535 502 D N 0.533 121.071 120.400 0.230 0.000 2.746 502 D HA 0.405 5.045 4.640 -0.000 0.000 0.211 502 D C -1.693 174.757 176.300 0.250 0.000 1.242 502 D CA -0.544 53.531 54.000 0.124 0.000 0.790 502 D CB 1.703 42.504 40.800 0.002 0.000 1.744 502 D HN 0.258 nan 8.370 nan 0.000 0.520 503 F N 0.340 120.327 119.950 0.062 0.000 2.665 503 F HA 0.603 5.130 4.527 -0.000 0.000 0.308 503 F C -1.334 174.482 175.800 0.026 0.000 1.112 503 F CA -0.895 57.123 58.000 0.030 0.000 0.972 503 F CB 1.212 40.218 39.000 0.011 0.000 1.295 503 F HN -0.035 nan 8.300 nan 0.000 0.440 504 K N 2.709 123.159 120.400 0.083 0.000 2.156 504 K HA 0.836 5.155 4.320 -0.000 0.000 0.254 504 K C -0.923 175.733 176.600 0.093 0.000 0.950 504 K CA -1.054 55.232 56.287 -0.001 0.000 0.849 504 K CB 2.700 35.206 32.500 0.009 0.000 1.100 504 K HN 0.756 nan 8.250 nan 0.000 0.434 505 V N -1.856 118.084 119.914 0.045 0.000 3.202 505 V HA 0.552 4.671 4.120 -0.000 0.000 0.306 505 V C -1.380 174.742 176.094 0.046 0.000 1.283 505 V CA -1.199 61.143 62.300 0.071 0.000 1.065 505 V CB 1.898 33.782 31.823 0.102 0.000 1.079 505 V HN 0.645 nan 8.190 nan 0.000 0.448 506 K N 0.648 121.073 120.400 0.041 0.000 2.203 506 K HA 0.458 4.778 4.320 -0.000 0.000 0.251 506 K C -0.423 176.207 176.600 0.049 0.000 0.944 506 K CA -0.600 55.711 56.287 0.040 0.000 0.829 506 K CB 2.101 34.617 32.500 0.027 0.000 1.125 506 K HN 0.970 nan 8.250 nan 0.000 0.430 507 E N 0.665 120.901 120.200 0.060 0.000 2.652 507 E HA -0.129 4.221 4.350 -0.000 0.000 0.255 507 E C 0.556 177.184 176.600 0.047 0.000 0.952 507 E CA 1.250 57.692 56.400 0.071 0.000 0.947 507 E CB -0.022 29.719 29.700 0.068 0.000 0.912 507 E HN 0.774 nan 8.360 nan 0.000 0.489 508 G N 3.876 112.705 108.800 0.048 0.000 2.199 508 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.254 508 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.254 508 G C -0.130 174.772 174.900 0.003 0.000 0.982 508 G CA 0.150 45.265 45.100 0.026 0.000 0.632 508 G HN 0.677 nan 8.290 nan 0.000 0.529 509 D N 0.890 121.289 120.400 -0.002 0.000 2.399 509 D HA 0.360 5.000 4.640 -0.000 0.000 0.241 509 D C 0.641 176.890 176.300 -0.086 0.000 1.133 509 D CA 0.157 54.136 54.000 -0.035 0.000 0.890 509 D CB 0.906 41.689 40.800 -0.029 0.000 1.201 509 D HN 0.536 nan 8.370 nan 0.000 0.432 510 E N 1.651 121.785 120.200 -0.111 0.000 2.052 510 E HA 0.272 4.622 4.350 -0.000 0.000 0.283 510 E C -1.157 175.281 176.600 -0.269 0.000 1.071 510 E CA -0.604 55.692 56.400 -0.174 0.000 0.851 510 E CB 0.519 30.143 29.700 -0.127 0.000 1.066 510 E HN 0.043 nan 8.360 nan 0.000 0.396 511 V N 4.466 124.089 119.914 -0.486 0.000 2.427 511 V HA 0.293 4.413 4.120 -0.000 0.000 0.286 511 V C 0.035 175.682 176.094 -0.746 0.000 1.034 511 V CA -0.576 61.347 62.300 -0.627 0.000 0.893 511 V CB 1.712 33.055 31.823 -0.800 0.000 0.982 511 V HN 0.692 nan 8.190 nan 0.000 0.452 512 T N 4.430 118.681 114.554 -0.506 0.000 2.815 512 T HA 0.520 4.870 4.350 -0.000 0.000 0.289 512 T C -0.396 173.976 174.700 -0.546 0.000 1.000 512 T CA -0.344 61.458 62.100 -0.498 0.000 0.958 512 T CB 1.460 70.081 68.868 -0.411 0.000 0.944 512 T HN 0.343 nan 8.240 nan 0.000 0.442 513 V N 4.378 123.961 119.914 -0.552 0.000 2.398 513 V HA 0.440 4.559 4.120 -0.000 0.000 0.286 513 V C -1.086 174.562 176.094 -0.743 0.000 1.026 513 V CA -0.853 61.066 62.300 -0.634 0.000 0.868 513 V CB 0.826 32.228 31.823 -0.701 0.000 0.982 513 V HN 0.790 nan 8.190 nan 0.000 0.443 514 Y N 4.740 124.670 120.300 -0.617 0.000 2.328 514 Y HA 0.589 5.139 4.550 -0.000 0.000 0.337 514 Y C 0.059 175.722 175.900 -0.394 0.000 0.966 514 Y CA -0.880 56.936 58.100 -0.472 0.000 1.136 514 Y CB 1.359 39.546 38.460 -0.455 0.000 1.170 514 Y HN 0.350 nan 8.280 nan 0.000 0.470 515 I N 3.153 123.579 120.570 -0.240 0.000 2.441 515 I HA 0.384 4.553 4.170 -0.000 0.000 0.295 515 I C -0.124 175.916 176.117 -0.129 0.000 0.994 515 I CA -0.622 60.568 61.300 -0.184 0.000 1.144 515 I CB 1.824 39.716 38.000 -0.180 0.000 1.314 515 I HN 0.527 nan 8.210 nan 0.000 0.445 516 T N 4.687 119.190 114.554 -0.085 0.000 2.809 516 T HA 0.235 4.584 4.350 -0.000 0.000 0.284 516 T C 0.008 174.671 174.700 -0.062 0.000 0.992 516 T CA -0.602 61.430 62.100 -0.114 0.000 0.957 516 T CB 1.096 69.908 68.868 -0.094 0.000 0.942 516 T HN 0.404 nan 8.240 nan 0.000 0.439 517 N N 3.528 122.193 118.700 -0.058 0.000 2.437 517 N HA 0.210 4.950 4.740 -0.000 0.000 0.243 517 N C 0.821 176.348 175.510 0.029 0.000 1.041 517 N CA -0.568 52.499 53.050 0.028 0.000 0.940 517 N CB 0.388 38.929 38.487 0.089 0.000 1.133 517 N HN 0.564 nan 8.380 nan 0.000 0.506 518 L N 0.763 122.004 121.223 0.029 0.000 2.492 518 L HA 0.136 4.476 4.340 -0.000 0.000 0.223 518 L C 0.238 177.141 176.870 0.056 0.000 1.132 518 L CA 0.250 55.109 54.840 0.031 0.000 0.850 518 L CB -0.203 41.866 42.059 0.016 0.000 0.966 518 L HN 0.354 nan 8.230 nan 0.000 0.454 519 D N 0.898 121.352 120.400 0.090 0.000 2.455 519 D HA 0.045 4.685 4.640 -0.000 0.000 0.241 519 D C 0.805 177.147 176.300 0.070 0.000 1.138 519 D CA 0.665 54.722 54.000 0.095 0.000 0.877 519 D CB 1.521 42.407 40.800 0.143 0.000 1.187 519 D HN 0.159 nan 8.370 nan 0.000 0.451 520 M N 1.193 120.827 119.600 0.057 0.000 2.346 520 M HA 0.086 4.565 4.480 -0.000 0.000 0.280 520 M C -0.159 176.163 176.300 0.036 0.000 1.075 520 M CA -0.114 55.215 55.300 0.048 0.000 0.989 520 M CB 1.001 33.627 32.600 0.043 0.000 1.447 520 M HN 0.007 nan 8.290 nan 0.000 0.511 521 V N 1.997 121.932 119.914 0.036 0.000 2.583 521 V HA 0.219 4.339 4.120 -0.000 0.000 0.287 521 V C 0.791 176.893 176.094 0.013 0.000 1.051 521 V CA -0.445 61.870 62.300 0.025 0.000 1.010 521 V CB 0.440 32.282 31.823 0.031 0.000 0.988 521 V HN 0.500 nan 8.190 nan 0.000 0.478 522 E N 2.660 122.864 120.200 0.007 0.000 2.452 522 E HA 0.134 4.484 4.350 -0.000 0.000 0.261 522 E C 0.868 177.465 176.600 -0.006 0.000 0.987 522 E CA 0.490 56.888 56.400 -0.003 0.000 0.926 522 E CB -0.121 nan 29.700 nan 0.000 0.934 522 E HN 0.998 nan 8.360 nan 0.000 0.452 523 D N 0.175 120.566 120.400 -0.015 0.000 2.911 523 D HA -0.171 4.468 4.640 -0.000 0.000 0.199 523 D C -0.016 176.263 176.300 -0.034 0.000 1.041 523 D CA 1.326 55.317 54.000 -0.015 0.000 1.013 523 D CB -1.442 39.360 40.800 0.004 0.000 1.093 523 D HN 0.546 nan 8.370 nan 0.000 0.431 524 V N 2.081 121.965 119.914 -0.050 0.000 2.153 524 V HA 0.241 4.360 4.120 -0.000 0.000 0.250 524 V C 0.774 176.731 176.094 -0.229 0.000 1.334 524 V CA 0.381 62.621 62.300 -0.101 0.000 1.249 524 V CB 0.508 32.302 31.823 -0.049 0.000 1.371 524 V HN 0.114 nan 8.190 nan 0.000 0.498 525 T N 3.779 118.172 114.554 -0.268 0.000 2.889 525 T HA 0.424 4.774 4.350 -0.000 0.000 0.291 525 T C -0.096 174.311 174.700 -0.487 0.000 0.995 525 T CA -0.180 61.668 62.100 -0.421 0.000 1.092 525 T CB 0.814 69.280 68.868 -0.669 0.000 0.954 525 T HN 0.527 nan 8.240 nan 0.000 0.506 526 H N 0.057 119.046 119.070 -0.136 0.000 2.676 526 H HA 0.739 5.295 4.556 -0.000 0.000 0.352 526 H C 0.460 175.872 175.328 0.139 0.000 1.193 526 H CA -0.521 55.566 56.048 0.066 0.000 1.243 526 H CB 1.852 31.644 29.762 0.050 0.000 1.751 526 H HN 0.829 nan 8.280 nan 0.000 0.567 527 G N -0.498 108.628 108.800 0.544 0.000 2.949 527 G HA2 0.500 4.460 3.960 -0.000 0.000 0.285 527 G HA3 0.500 4.460 3.960 -0.000 0.000 0.285 527 G C -2.007 173.235 174.900 0.570 0.000 1.395 527 G CA -0.522 44.943 45.100 0.609 0.000 0.901 527 G HN 0.379 nan 8.290 nan 0.000 0.519 528 F N -0.316 119.778 119.950 0.240 0.000 2.623 528 F HA 0.545 5.071 4.527 -0.000 0.000 0.323 528 F C -1.107 174.656 175.800 -0.062 0.000 1.158 528 F CA -1.297 56.772 58.000 0.114 0.000 1.030 528 F CB 1.324 40.354 39.000 0.051 0.000 1.280 528 F HN 0.660 nan 8.300 nan 0.000 0.474 529 C N 8.066 126.808 119.300 -0.930 0.000 2.481 529 C HA 0.796 5.256 4.460 -0.000 0.000 0.324 529 C C -1.106 173.350 174.990 -0.891 0.000 1.170 529 C CA -0.650 57.865 59.018 -0.838 0.000 1.361 529 C CB 0.710 27.942 27.740 -0.847 0.000 1.977 529 C HN 0.900 nan 8.230 nan 0.000 0.459 530 M N 6.665 125.866 119.600 -0.665 0.000 2.088 530 M HA 0.488 4.967 4.480 -0.000 0.000 0.346 530 M C -0.428 175.782 176.300 -0.150 0.000 1.111 530 M CA -0.315 54.714 55.300 -0.452 0.000 1.017 530 M CB 1.012 33.184 32.600 -0.713 0.000 1.568 530 M HN 0.557 nan 8.290 nan 0.000 0.445 531 V N 7.416 127.381 119.914 0.085 0.000 2.644 531 V HA -0.001 4.119 4.120 -0.000 0.000 0.305 531 V C 0.652 176.903 176.094 0.262 0.000 1.053 531 V CA 0.469 62.897 62.300 0.213 0.000 1.186 531 V CB -0.333 31.676 31.823 0.310 0.000 0.895 531 V HN 1.051 nan 8.190 nan 0.000 0.490 532 N N 2.748 121.538 118.700 0.150 0.000 2.741 532 N HA -0.210 4.530 4.740 -0.000 0.000 0.250 532 N C 0.123 175.535 175.510 -0.165 0.000 1.115 532 N CA 1.337 54.415 53.050 0.046 0.000 0.724 532 N CB -1.354 37.206 38.487 0.123 0.000 1.090 532 N HN 0.947 nan 8.380 nan 0.000 0.558 533 H N -1.368 117.602 119.070 -0.166 0.000 2.750 533 H HA 0.406 4.962 4.556 -0.000 0.000 0.252 533 H C 1.228 176.454 175.328 -0.170 0.000 1.176 533 H CA 0.154 56.067 56.048 -0.225 0.000 0.987 533 H CB 0.400 29.888 29.762 -0.457 0.000 1.810 533 H HN 0.289 nan 8.280 nan 0.000 0.630 534 G N 1.388 110.168 108.800 -0.034 0.000 2.412 534 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.297 534 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.297 534 G C -0.369 174.514 174.900 -0.027 0.000 0.965 534 G CA 0.814 45.901 45.100 -0.022 0.000 1.134 534 G HN 0.278 nan 8.290 nan 0.000 0.511 535 V N -0.344 119.523 119.914 -0.079 0.000 2.709 535 V HA 0.896 5.016 4.120 -0.000 0.000 0.308 535 V C 0.041 176.086 176.094 -0.081 0.000 1.062 535 V CA 0.040 62.292 62.300 -0.079 0.000 0.901 535 V CB 2.304 34.016 31.823 -0.186 0.000 1.003 535 V HN 1.013 nan 8.190 nan 0.000 0.425 536 S N 5.557 121.263 115.700 0.011 0.000 2.543 536 S HA 0.870 5.340 4.470 -0.000 0.000 0.274 536 S C -1.216 173.475 174.600 0.151 0.000 1.149 536 S CA -0.574 57.657 58.200 0.052 0.000 0.866 536 S CB 1.578 64.794 63.200 0.028 0.000 1.111 536 S HN 0.970 nan 8.310 nan 0.000 0.457 537 M N 1.830 121.574 119.600 0.239 0.000 2.682 537 M HA 0.608 5.088 4.480 -0.000 0.000 0.272 537 M C -1.333 175.172 176.300 0.341 0.000 1.232 537 M CA -0.799 54.649 55.300 0.247 0.000 0.849 537 M CB 1.735 34.416 32.600 0.136 0.000 1.695 537 M HN 0.623 nan 8.290 nan 0.000 0.481 538 E N 1.610 121.949 120.200 0.232 0.000 2.214 538 E HA 0.672 5.022 4.350 -0.000 0.000 0.274 538 E C -1.709 174.820 176.600 -0.118 0.000 0.977 538 E CA -0.718 55.650 56.400 -0.053 0.000 0.827 538 E CB 1.566 31.137 29.700 -0.215 0.000 1.130 538 E HN 0.738 nan 8.360 nan 0.000 0.394 539 I N 2.887 123.337 120.570 -0.201 0.000 2.649 539 I HA 0.144 4.313 4.170 -0.000 0.000 0.275 539 I C -0.268 175.763 176.117 -0.144 0.000 1.153 539 I CA -0.285 60.932 61.300 -0.138 0.000 1.069 539 I CB 1.526 39.502 38.000 -0.039 0.000 1.227 539 I HN 0.279 nan 8.210 nan 0.000 0.505 540 S N 4.614 120.246 115.700 -0.113 0.000 2.617 540 S HA 0.354 4.824 4.470 -0.000 0.000 0.259 540 S C -2.331 172.318 174.600 0.081 0.000 1.301 540 S CA -0.840 57.344 58.200 -0.027 0.000 0.984 540 S CB 0.300 63.580 63.200 0.135 0.000 0.954 540 S HN 0.275 nan 8.310 nan 0.000 0.572 541 P HA -0.016 nan 4.420 nan 0.000 0.258 541 P C -0.160 177.252 177.300 0.187 0.000 1.172 541 P CA 0.882 64.045 63.100 0.106 0.000 0.762 541 P CB 0.085 31.824 31.700 0.065 0.000 0.764 542 Q N -1.062 118.803 119.800 0.109 0.000 2.416 542 Q HA -0.258 4.082 4.340 -0.000 0.000 0.235 542 Q C 0.107 176.107 176.000 0.001 0.000 0.773 542 Q CA 1.257 57.118 55.803 0.097 0.000 1.286 542 Q CB -1.659 27.185 28.738 0.177 0.000 1.556 542 Q HN 0.675 nan 8.270 nan 0.000 0.650 543 Q N 0.072 119.781 119.800 -0.153 0.000 2.214 543 Q HA 0.473 4.813 4.340 -0.000 0.000 0.251 543 Q C -0.769 174.752 176.000 -0.797 0.000 0.936 543 Q CA -0.027 55.371 55.803 -0.675 0.000 0.894 543 Q CB 1.175 29.520 28.738 -0.655 0.000 1.252 543 Q HN 0.048 nan 8.270 nan 0.000 0.448 544 T N 1.759 115.488 114.554 -1.375 0.000 2.807 544 T HA 0.752 5.102 4.350 -0.000 0.000 0.279 544 T C -1.338 173.012 174.700 -0.585 0.000 0.993 544 T CA -0.492 61.130 62.100 -0.797 0.000 0.970 544 T CB 1.453 69.925 68.868 -0.660 0.000 0.950 544 T HN 0.665 nan 8.240 nan 0.000 0.441 545 A N 2.414 125.024 122.820 -0.349 0.000 2.454 545 A HA 0.930 5.250 4.320 -0.000 0.000 0.302 545 A C -0.328 177.085 177.584 -0.286 0.000 1.079 545 A CA -0.830 51.030 52.037 -0.296 0.000 0.731 545 A CB 1.563 20.412 19.000 -0.251 0.000 1.299 545 A HN 0.925 nan 8.150 nan 0.000 0.413 546 S N -0.373 115.131 115.700 -0.327 0.000 2.595 546 S HA 0.835 5.305 4.470 -0.000 0.000 0.281 546 S C -1.264 173.115 174.600 -0.368 0.000 1.117 546 S CA -0.629 57.263 58.200 -0.514 0.000 0.873 546 S CB 1.489 64.140 63.200 -0.916 0.000 1.108 546 S HN 2.076 nan 8.310 nan 0.000 0.477 547 V N 1.066 120.762 119.914 -0.363 0.000 2.851 547 V HA 0.796 4.916 4.120 -0.000 0.000 0.307 547 V C -0.875 175.139 176.094 -0.134 0.000 1.129 547 V CA 0.157 62.365 62.300 -0.154 0.000 0.932 547 V CB 2.116 33.951 31.823 0.021 0.000 1.024 547 V HN 1.310 nan 8.190 nan 0.000 0.426 548 T N 6.241 120.741 114.554 -0.089 0.000 2.841 548 T HA 0.869 5.219 4.350 -0.000 0.000 0.283 548 T C -1.078 173.628 174.700 0.009 0.000 1.000 548 T CA -0.297 61.704 62.100 -0.165 0.000 0.977 548 T CB 1.002 69.741 68.868 -0.215 0.000 0.979 548 T HN 1.081 nan 8.240 nan 0.000 0.446 549 F N 0.064 119.972 119.950 -0.070 0.000 2.662 549 F HA 0.730 5.257 4.527 -0.000 0.000 0.312 549 F C -0.637 175.162 175.800 -0.002 0.000 1.113 549 F CA -1.156 56.833 58.000 -0.018 0.000 0.951 549 F CB 0.843 39.853 39.000 0.018 0.000 1.344 549 F HN 0.367 nan 8.300 nan 0.000 0.462 550 T N 1.858 116.517 114.554 0.176 0.000 2.799 550 T HA 0.639 4.989 4.350 -0.000 0.000 0.286 550 T C 0.058 174.914 174.700 0.258 0.000 0.973 550 T CA -0.242 61.911 62.100 0.088 0.000 1.035 550 T CB 1.171 70.075 68.868 0.061 0.000 0.932 550 T HN 0.918 nan 8.240 nan 0.000 0.469 551 A N 3.398 126.309 122.820 0.152 0.000 2.491 551 A HA 0.546 4.865 4.320 -0.000 0.000 0.261 551 A C 1.179 178.890 177.584 0.212 0.000 1.101 551 A CA -0.246 51.933 52.037 0.236 0.000 0.772 551 A CB -0.352 18.720 19.000 0.120 0.000 1.043 551 A HN 0.971 nan 8.150 nan 0.000 0.501 552 G N 2.236 111.195 108.800 0.265 0.000 2.466 552 G HA2 0.306 4.266 3.960 -0.000 0.000 0.279 552 G HA3 0.306 4.266 3.960 -0.000 0.000 0.279 552 G C 0.369 175.349 174.900 0.133 0.000 1.410 552 G CA -0.178 44.935 45.100 0.023 0.000 1.065 552 G HN 1.041 nan 8.290 nan 0.000 0.547 553 K N 0.688 121.180 120.400 0.154 0.000 2.380 553 K HA 0.194 4.514 4.320 -0.000 0.000 0.267 553 K C -2.387 174.373 176.600 0.266 0.000 0.990 553 K CA -1.048 55.343 56.287 0.173 0.000 0.946 553 K CB 0.277 32.856 32.500 0.131 0.000 0.937 553 K HN 0.197 nan 8.250 nan 0.000 0.491 554 P HA 0.026 nan 4.420 nan 0.000 0.265 554 P C 0.155 177.505 177.300 0.084 0.000 1.187 554 P CA 0.487 63.669 63.100 0.137 0.000 0.766 554 P CB 0.674 32.416 31.700 0.070 0.000 0.820 555 G N 0.615 109.432 108.800 0.028 0.000 2.369 555 G HA2 0.149 4.109 3.960 -0.000 0.000 0.293 555 G HA3 0.149 4.109 3.960 -0.000 0.000 0.293 555 G C -1.512 173.234 174.900 -0.257 0.000 1.301 555 G CA -0.746 44.266 45.100 -0.148 0.000 0.913 555 G HN 0.402 nan 8.290 nan 0.000 0.540 556 V N 0.299 120.006 119.914 -0.346 0.000 2.546 556 V HA 0.637 4.756 4.120 -0.000 0.000 0.284 556 V C -0.814 175.006 176.094 -0.456 0.000 1.050 556 V CA -0.081 62.041 62.300 -0.298 0.000 0.981 556 V CB 0.955 32.666 31.823 -0.186 0.000 0.990 556 V HN 0.606 nan 8.190 nan 0.000 0.474 557 Y N 2.118 122.405 120.300 -0.021 0.000 2.315 557 Y HA 0.414 4.964 4.550 -0.000 0.000 0.324 557 Y C -0.464 175.468 175.900 0.054 0.000 1.062 557 Y CA -0.818 57.336 58.100 0.090 0.000 1.159 557 Y CB 1.133 39.652 38.460 0.098 0.000 1.145 557 Y HN 0.627 nan 8.280 nan 0.000 0.442 558 W N 4.010 125.379 121.300 0.115 0.000 2.184 558 W HA 0.422 5.082 4.660 -0.000 0.000 0.338 558 W C -0.424 176.165 176.519 0.116 0.000 1.257 558 W CA -0.380 56.985 57.345 0.033 0.000 1.243 558 W CB 0.349 29.797 29.460 -0.019 0.000 1.122 558 W HN 0.448 nan 8.180 nan 0.000 0.585 559 Y N 1.208 121.653 120.300 0.241 0.000 2.499 559 Y HA 0.738 5.288 4.550 -0.000 0.000 0.347 559 Y C -0.986 175.011 175.900 0.162 0.000 0.987 559 Y CA -2.464 55.620 58.100 -0.027 0.000 1.044 559 Y CB 0.948 39.265 38.460 -0.239 0.000 1.245 559 Y HN 0.497 nan 8.280 nan 0.000 0.461 560 Y N 0.123 120.465 120.300 0.070 0.000 2.670 560 Y HA 0.608 5.158 4.550 -0.000 0.000 0.334 560 Y C -1.228 174.832 175.900 0.268 0.000 1.185 560 Y CA -2.503 55.712 58.100 0.192 0.000 1.053 560 Y CB 0.556 39.042 38.460 0.043 0.000 1.298 560 Y HN 1.067 nan 8.280 nan 0.000 0.459 561 C N 3.083 122.619 119.300 0.393 0.000 2.499 561 C HA 0.358 4.817 4.460 -0.000 0.000 0.386 561 C C 0.714 175.912 174.990 0.347 0.000 1.293 561 C CA 0.292 59.523 59.018 0.355 0.000 1.884 561 C CB -1.315 26.590 27.740 0.275 0.000 2.509 561 C HN 1.007 nan 8.230 nan 0.000 0.566 562 N N 3.607 122.497 118.700 0.316 0.000 2.238 562 N HA 0.084 4.824 4.740 -0.000 0.000 0.222 562 N C -0.495 175.190 175.510 0.291 0.000 1.133 562 N CA -0.420 52.819 53.050 0.314 0.000 0.854 562 N CB 0.341 38.866 38.487 0.064 0.000 1.041 562 N HN 0.726 nan 8.380 nan 0.000 0.510 563 W N 1.467 122.962 121.300 0.324 0.000 2.391 563 W HA 0.379 5.039 4.660 -0.000 0.000 0.312 563 W C -0.835 175.660 176.519 -0.041 0.000 1.003 563 W CA -1.313 56.122 57.345 0.150 0.000 1.375 563 W CB 0.587 30.118 29.460 0.119 0.000 1.253 563 W HN -0.094 nan 8.180 nan 0.000 0.416 564 F N 4.380 124.131 119.950 -0.332 0.000 2.539 564 F HA -0.131 4.395 4.527 -0.000 0.000 0.393 564 F C 1.433 177.104 175.800 -0.214 0.000 1.032 564 F CA 1.097 58.620 58.000 -0.793 0.000 1.120 564 F CB 0.417 39.140 39.000 -0.461 0.000 1.014 564 F HN 0.354 nan 8.300 nan 0.000 0.546 565 C N 3.491 122.826 119.300 0.057 0.000 3.642 565 C HA 0.420 4.880 4.460 -0.000 0.000 0.305 565 C C 0.057 175.222 174.990 0.291 0.000 1.492 565 C CA -0.319 58.792 59.018 0.156 0.000 1.809 565 C CB -1.042 26.721 27.740 0.038 0.000 2.639 565 C HN 0.818 nan 8.230 nan 0.000 0.672 566 H N -1.077 118.117 119.070 0.206 0.000 2.950 566 H HA 0.430 4.986 4.556 -0.000 0.000 0.307 566 H C 0.587 176.059 175.328 0.240 0.000 1.403 566 H CA 0.424 56.586 56.048 0.190 0.000 1.145 566 H CB 1.644 31.500 29.762 0.157 0.000 1.844 566 H HN -0.052 nan 8.280 nan 0.000 0.515 567 A N 1.881 124.694 122.820 -0.012 0.000 2.019 567 A HA -0.017 4.303 4.320 -0.000 0.000 0.219 567 A C 1.763 179.532 177.584 0.309 0.000 1.164 567 A CA 1.178 53.312 52.037 0.163 0.000 0.644 567 A CB -0.369 18.630 19.000 -0.002 0.000 0.805 567 A HN 0.442 nan 8.150 nan 0.000 0.449 568 L N -0.669 120.885 121.223 0.553 0.000 2.737 568 L HA 0.089 4.429 4.340 -0.000 0.000 0.236 568 L C 1.709 178.660 176.870 0.135 0.000 1.219 568 L CA -0.081 54.931 54.840 0.286 0.000 1.021 568 L CB -0.423 41.761 42.059 0.209 0.000 1.291 568 L HN 0.569 nan 8.230 nan 0.000 0.470 569 H N 0.812 119.871 119.070 -0.018 0.000 2.319 569 H HA -0.241 4.315 4.556 -0.000 0.000 0.297 569 H C 2.156 177.368 175.328 -0.193 0.000 1.097 569 H CA 2.068 57.980 56.048 -0.227 0.000 1.285 569 H CB 0.271 29.538 29.762 -0.824 0.000 1.368 569 H HN 0.146 nan 8.280 nan 0.000 0.495 570 M N 0.186 119.614 119.600 -0.287 0.000 2.267 570 M HA -0.113 4.367 4.480 -0.000 0.000 0.263 570 M C 1.321 177.507 176.300 -0.191 0.000 1.063 570 M CA 1.410 56.541 55.300 -0.281 0.000 1.090 570 M CB -0.673 31.845 32.600 -0.137 0.000 1.392 570 M HN 0.365 nan 8.290 nan 0.000 0.422 571 E N -0.365 119.771 120.200 -0.105 0.000 2.479 571 E HA 0.124 4.473 4.350 -0.000 0.000 0.193 571 E C 0.670 177.258 176.600 -0.020 0.000 1.049 571 E CA -0.043 56.331 56.400 -0.042 0.000 0.870 571 E CB -0.161 29.535 29.700 -0.008 0.000 0.944 571 E HN 0.355 nan 8.360 nan 0.000 0.492 572 M N 2.101 121.662 119.600 -0.065 0.000 3.237 572 M HA 0.141 4.621 4.480 -0.000 0.000 0.266 572 M C -0.602 175.780 176.300 0.135 0.000 1.456 572 M CA -0.317 54.959 55.300 -0.039 0.000 1.593 572 M CB -0.224 32.295 32.600 -0.135 0.000 1.129 572 M HN -0.037 nan 8.290 nan 0.000 0.547 573 V N 0.327 120.355 119.914 0.190 0.000 3.119 573 V HA 1.138 5.258 4.120 -0.000 0.000 0.311 573 V C -0.217 175.866 176.094 -0.018 0.000 1.259 573 V CA -0.340 62.089 62.300 0.216 0.000 1.067 573 V CB 1.501 33.495 31.823 0.285 0.000 1.123 573 V HN 0.599 nan 8.190 nan 0.000 0.463 574 G N 0.055 108.530 108.800 -0.541 0.000 2.559 574 G HA2 0.695 4.655 3.960 -0.000 0.000 0.291 574 G HA3 0.695 4.655 3.960 -0.000 0.000 0.291 574 G C -1.892 172.295 174.900 -1.187 0.000 1.424 574 G CA -1.173 43.275 45.100 -1.088 0.000 0.786 574 G HN 0.822 nan 8.290 nan 0.000 0.485 575 R N -0.058 120.008 120.500 -0.723 0.000 2.532 575 R HA 0.499 4.839 4.340 -0.000 0.000 0.297 575 R C -0.365 175.774 176.300 -0.269 0.000 0.984 575 R CA -0.673 55.071 56.100 -0.594 0.000 0.884 575 R CB 2.409 32.210 30.300 -0.831 0.000 1.182 575 R HN 0.592 nan 8.270 nan 0.000 0.442 576 M N 4.971 124.438 119.600 -0.222 0.000 2.157 576 M HA 0.380 4.860 4.480 -0.000 0.000 0.354 576 M C -1.384 174.731 176.300 -0.309 0.000 1.170 576 M CA -0.421 54.526 55.300 -0.588 0.000 1.060 576 M CB 0.673 32.980 32.600 -0.489 0.000 1.615 576 M HN 0.502 nan 8.290 nan 0.000 0.460 577 L N 6.504 127.530 121.223 -0.328 0.000 2.265 577 L HA 0.481 4.821 4.340 -0.000 0.000 0.289 577 L C -0.886 175.948 176.870 -0.060 0.000 1.033 577 L CA -0.977 53.773 54.840 -0.149 0.000 0.814 577 L CB 1.173 43.148 42.059 -0.140 0.000 1.203 577 L HN 0.474 nan 8.230 nan 0.000 0.423 578 V N 3.383 123.331 119.914 0.056 0.000 2.370 578 V HA 0.259 4.379 4.120 -0.000 0.000 0.279 578 V C 0.219 176.357 176.094 0.073 0.000 1.029 578 V CA -0.633 61.731 62.300 0.108 0.000 0.870 578 V CB 1.316 33.295 31.823 0.261 0.000 0.984 578 V HN 0.809 nan 8.190 nan 0.000 0.451 579 E N 3.821 124.050 120.200 0.048 0.000 2.222 579 E HA 0.802 5.152 4.350 -0.000 0.000 0.267 579 E C -0.279 176.345 176.600 0.040 0.000 0.963 579 E CA -1.078 55.342 56.400 0.033 0.000 0.837 579 E CB 1.758 31.468 29.700 0.016 0.000 1.183 579 E HN 0.653 nan 8.360 nan 0.000 0.403 580 A N 1.421 124.259 122.820 0.031 0.000 2.548 580 A HA 0.390 4.710 4.320 -0.000 0.000 0.247 580 A C 0.502 178.100 177.584 0.025 0.000 1.067 580 A CA 0.308 52.362 52.037 0.030 0.000 0.757 580 A CB -0.228 18.785 19.000 0.022 0.000 0.996 580 A HN 0.730 nan 8.150 nan 0.000 0.504 581 A N 0.000 122.836 122.820 0.026 0.000 2.254 581 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 581 A CA 0.000 52.049 52.037 0.020 0.000 0.836 581 A CB 0.000 19.012 19.000 0.020 0.000 0.831 581 A HN 0.000 nan 8.150 nan 0.000 0.486