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 2r5i_1_L DATA FIRST_RESID 20 DATA SEQUENCE AVVNTDDYVT RTSIFYHAGS SRLLTVGDPY FRVPAGGGNK QDIPKVSAYQ DATA SEQUENCE YRVFRVQLPD PNKFGLPDTS IYNPETQRLV WACAGVEIGR GQPLGVGLSG DATA SEQUENCE HPFYNKLDDT ESSHAATSNV SEDVRDNVSV DYKQTQLCIL GCAPAIGEHW DATA SEQUENCE AKGTASKSRP LSQGDCPPLE LKNTVLEDGD MVDTGYGAMD FSTLQDTKCE DATA SEQUENCE VPLDICQSIC KYPDYLQMSA DPYGDSMFFC LRREQLFARH FWNRAGTMGD DATA SEQUENCE TVPQSLYIKG TGMRASPGSC VYSPSPSGSI VTSDSQLFNK PYWLHKAQGH DATA SEQUENCE NNGVCWHNQL FVTVVDTTRS TNLTICASTQ SPVPGQYDAT KFKQYSRHVE DATA SEQUENCE EYDLQFIFQL CTITLTADVM SYIQSMNSSI LEDWNXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXNK DPYDKLKFWN VDLKEKFSLD LDQYPLGRKF DATA SEQUENCE LVQAGL 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 20 A HA 0.000 nan 4.320 nan 0.000 0.244 20 A C 0.000 177.620 177.584 0.060 0.000 1.274 20 A CA 0.000 52.050 52.037 0.021 0.000 0.836 20 A CB 0.000 19.007 19.000 0.012 0.000 0.831 21 V N 2.342 122.229 119.914 -0.044 0.000 2.637 21 V HA 0.428 4.548 4.120 -0.000 0.000 0.296 21 V C 0.447 176.412 176.094 -0.214 0.000 1.046 21 V CA -0.025 62.243 62.300 -0.054 0.000 1.066 21 V CB 1.182 32.793 31.823 -0.354 0.000 0.968 21 V HN 0.759 nan 8.190 nan 0.000 0.483 22 V N 3.471 123.404 119.914 0.032 0.000 2.960 22 V HA 0.413 4.533 4.120 -0.000 0.000 0.315 22 V C 0.219 176.398 176.094 0.141 0.000 1.087 22 V CA -1.204 61.058 62.300 -0.062 0.000 0.982 22 V CB 1.988 33.750 31.823 -0.102 0.000 1.039 22 V HN 0.830 nan 8.190 nan 0.000 0.437 23 N N 1.742 120.560 118.700 0.196 0.000 2.458 23 N HA -0.004 4.736 4.740 -0.000 0.000 0.258 23 N C 1.364 176.989 175.510 0.192 0.000 1.219 23 N CA 0.812 54.036 53.050 0.290 0.000 0.902 23 N CB 1.653 40.277 38.487 0.228 0.000 1.076 23 N HN 1.006 nan 8.380 nan 0.000 0.455 24 T N -1.128 113.491 114.554 0.109 0.000 2.995 24 T HA -0.065 4.285 4.350 -0.000 0.000 0.269 24 T C 0.849 175.393 174.700 -0.261 0.000 1.091 24 T CA 0.798 62.735 62.100 -0.273 0.000 1.128 24 T CB 0.076 68.843 68.868 -0.169 0.000 0.891 24 T HN 0.423 nan 8.240 nan 0.000 0.492 25 D N 1.852 122.218 120.400 -0.057 0.000 2.263 25 D HA -0.095 4.545 4.640 -0.000 0.000 0.208 25 D C 1.354 177.652 176.300 -0.003 0.000 0.971 25 D CA 0.954 54.936 54.000 -0.030 0.000 0.867 25 D CB -0.211 40.601 40.800 0.020 0.000 0.929 25 D HN 0.438 nan 8.370 nan 0.000 0.492 26 D N -0.158 120.265 120.400 0.039 0.000 2.178 26 D HA -0.124 4.516 4.640 -0.000 0.000 0.202 26 D C 1.657 178.063 176.300 0.178 0.000 0.974 26 D CA 0.841 54.907 54.000 0.109 0.000 0.841 26 D CB -0.094 40.786 40.800 0.133 0.000 0.953 26 D HN 0.558 nan 8.370 nan 0.000 0.478 27 Y N -2.153 118.181 120.300 0.057 0.000 2.527 27 Y HA 0.469 5.019 4.550 -0.000 0.000 0.247 27 Y C -0.089 175.886 175.900 0.126 0.000 1.138 27 Y CA -0.507 57.640 58.100 0.078 0.000 1.228 27 Y CB 0.410 38.915 38.460 0.075 0.000 1.252 27 Y HN -0.347 nan 8.280 nan 0.000 0.531 28 V N 2.234 122.104 119.914 -0.072 0.000 2.409 28 V HA 0.345 4.465 4.120 -0.000 0.000 0.291 28 V C -0.278 175.803 176.094 -0.020 0.000 1.020 28 V CA -0.645 61.637 62.300 -0.031 0.000 0.848 28 V CB 1.449 33.185 31.823 -0.145 0.000 0.990 28 V HN 0.314 nan 8.190 nan 0.000 0.430 29 T N 5.455 120.013 114.554 0.006 0.000 2.771 29 T HA 0.450 4.800 4.350 -0.000 0.000 0.291 29 T C 0.161 174.850 174.700 -0.019 0.000 0.954 29 T CA -0.559 61.543 62.100 0.003 0.000 1.045 29 T CB 0.580 69.458 68.868 0.017 0.000 0.917 29 T HN 0.518 nan 8.240 nan 0.000 0.484 30 R N 1.971 122.464 120.500 -0.010 0.000 2.438 30 R HA 0.439 4.779 4.340 -0.000 0.000 0.287 30 R C 1.229 177.511 176.300 -0.030 0.000 1.077 30 R CA -0.454 55.634 56.100 -0.020 0.000 1.034 30 R CB 0.573 30.881 30.300 0.014 0.000 0.993 30 R HN 0.793 nan 8.270 nan 0.000 0.459 31 T N -2.020 112.489 114.554 -0.075 0.000 2.888 31 T HA 0.178 4.528 4.350 -0.000 0.000 0.283 31 T C 0.969 175.600 174.700 -0.116 0.000 1.013 31 T CA -0.563 61.493 62.100 -0.074 0.000 0.938 31 T CB 1.304 70.120 68.868 -0.086 0.000 1.298 31 T HN 0.517 nan 8.240 nan 0.000 0.580 32 S N -0.569 115.089 115.700 -0.071 0.000 2.575 32 S HA 0.298 4.768 4.470 -0.000 0.000 0.237 32 S C 0.223 174.775 174.600 -0.081 0.000 0.975 32 S CA -0.745 57.443 58.200 -0.020 0.000 0.960 32 S CB -0.417 62.842 63.200 0.097 0.000 0.822 32 S HN 0.578 nan 8.310 nan 0.000 0.472 33 I N 2.843 123.300 120.570 -0.188 0.000 2.337 33 I HA 0.441 4.611 4.170 -0.000 0.000 0.291 33 I C -0.623 175.377 176.117 -0.195 0.000 1.046 33 I CA -1.140 60.126 61.300 -0.057 0.000 1.324 33 I CB -0.972 37.105 38.000 0.127 0.000 1.409 33 I HN 0.159 nan 8.210 nan 0.000 0.494 34 F N 6.111 126.183 119.950 0.203 0.000 2.522 34 F HA 0.560 5.087 4.527 -0.000 0.000 0.324 34 F C -0.214 175.689 175.800 0.172 0.000 1.077 34 F CA -0.631 57.477 58.000 0.180 0.000 0.944 34 F CB 1.636 40.622 39.000 -0.023 0.000 1.175 34 F HN 0.216 nan 8.300 nan 0.000 0.468 35 Y N 0.709 121.095 120.300 0.144 0.000 2.524 35 Y HA 0.370 4.920 4.550 -0.000 0.000 0.344 35 Y C -0.087 175.700 175.900 -0.187 0.000 1.012 35 Y CA -1.014 57.098 58.100 0.020 0.000 1.068 35 Y CB 1.380 39.848 38.460 0.014 0.000 1.249 35 Y HN 0.513 nan 8.280 nan 0.000 0.468 36 H N 1.261 120.240 119.070 -0.152 0.000 2.595 36 H HA 0.892 5.448 4.556 -0.000 0.000 0.346 36 H C -1.632 173.374 175.328 -0.537 0.000 1.181 36 H CA -0.689 55.136 56.048 -0.371 0.000 1.242 36 H CB 1.712 31.250 29.762 -0.373 0.000 1.652 36 H HN 0.805 nan 8.280 nan 0.000 0.548 37 A N 1.481 123.825 122.820 -0.793 0.000 2.555 37 A HA 0.589 4.909 4.320 -0.000 0.000 0.297 37 A C -1.103 176.261 177.584 -0.366 0.000 1.060 37 A CA -0.018 51.732 52.037 -0.478 0.000 0.710 37 A CB 1.292 19.783 19.000 -0.849 0.000 1.282 37 A HN 0.995 nan 8.150 nan 0.000 0.399 38 G N 0.679 109.428 108.800 -0.085 0.000 2.766 38 G HA2 0.663 4.623 3.960 -0.000 0.000 0.297 38 G HA3 0.663 4.623 3.960 -0.000 0.000 0.297 38 G C -0.150 174.766 174.900 0.028 0.000 1.431 38 G CA 0.301 45.383 45.100 -0.030 0.000 1.042 38 G HN 1.890 nan 8.290 nan 0.000 0.542 39 S N 0.828 116.535 115.700 0.011 0.000 2.580 39 S HA 0.362 4.832 4.470 -0.000 0.000 0.261 39 S C 1.751 176.358 174.600 0.012 0.000 1.366 39 S CA 0.777 58.979 58.200 0.003 0.000 0.996 39 S CB 1.074 64.227 63.200 -0.079 0.000 0.902 39 S HN 1.660 nan 8.310 nan 0.000 0.566 40 S N 1.600 117.323 115.700 0.039 0.000 2.365 40 S HA 0.103 4.573 4.470 -0.000 0.000 0.194 40 S C 0.697 175.314 174.600 0.028 0.000 1.093 40 S CA 0.277 58.508 58.200 0.052 0.000 1.224 40 S CB -0.515 62.729 63.200 0.073 0.000 0.961 40 S HN 1.045 nan 8.310 nan 0.000 0.412 41 R N 0.193 120.720 120.500 0.045 0.000 2.549 41 R HA 0.468 4.808 4.340 -0.000 0.000 0.291 41 R C -1.785 174.569 176.300 0.090 0.000 1.164 41 R CA -0.469 55.652 56.100 0.036 0.000 0.973 41 R CB 0.693 31.019 30.300 0.043 0.000 1.210 41 R HN 0.483 nan 8.270 nan 0.000 0.422 42 L N 4.316 125.584 121.223 0.076 0.000 2.395 42 L HA 0.556 4.896 4.340 -0.000 0.000 0.269 42 L C -0.535 176.528 176.870 0.323 0.000 1.133 42 L CA -0.867 54.102 54.840 0.215 0.000 0.812 42 L CB 1.087 43.104 42.059 -0.070 0.000 1.125 42 L HN 0.497 nan 8.230 nan 0.000 0.452 43 L N 1.823 123.347 121.223 0.501 0.000 2.518 43 L HA 0.717 5.057 4.340 -0.000 0.000 0.257 43 L C -0.746 176.345 176.870 0.368 0.000 0.980 43 L CA 0.017 55.074 54.840 0.361 0.000 0.837 43 L CB 2.469 44.645 42.059 0.195 0.000 1.410 43 L HN 0.667 nan 8.230 nan 0.000 0.410 44 T N 2.659 117.361 114.554 0.247 0.000 3.393 44 T HA 0.667 5.017 4.350 -0.000 0.000 0.359 44 T C -1.723 173.013 174.700 0.060 0.000 1.380 44 T CA 0.110 62.282 62.100 0.121 0.000 1.132 44 T CB 0.732 69.656 68.868 0.093 0.000 1.284 44 T HN 1.250 nan 8.240 nan 0.000 0.477 45 V N 1.581 121.506 119.914 0.018 0.000 3.040 45 V HA 1.125 5.245 4.120 -0.000 0.000 0.312 45 V C 0.190 176.288 176.094 0.007 0.000 1.115 45 V CA 0.067 62.367 62.300 0.000 0.000 0.998 45 V CB 1.388 33.207 31.823 -0.006 0.000 1.042 45 V HN 1.524 nan 8.190 nan 0.000 0.433 46 G N 0.778 109.588 108.800 0.016 0.000 2.430 46 G HA2 0.384 4.344 3.960 -0.000 0.000 0.300 46 G HA3 0.384 4.344 3.960 -0.000 0.000 0.300 46 G C -2.057 172.843 174.900 0.001 0.000 1.330 46 G CA -0.267 44.842 45.100 0.016 0.000 0.813 46 G HN 0.973 nan 8.290 nan 0.000 0.487 47 D N 0.363 120.739 120.400 -0.039 0.000 2.256 47 D HA 0.319 4.959 4.640 -0.000 0.000 0.250 47 D C -1.220 174.977 176.300 -0.173 0.000 1.093 47 D CA -1.769 52.133 54.000 -0.163 0.000 0.882 47 D CB 2.436 43.108 40.800 -0.214 0.000 1.185 47 D HN 0.051 nan 8.370 nan 0.000 0.437 48 P HA -0.078 nan 4.420 nan 0.000 0.229 48 P C 0.814 178.141 177.300 0.045 0.000 1.160 48 P CA 0.905 63.914 63.100 -0.152 0.000 0.777 48 P CB 0.166 31.673 31.700 -0.321 0.000 0.814 49 Y N -0.594 119.523 120.300 -0.306 0.000 2.558 49 Y HA 0.224 4.774 4.550 -0.000 0.000 0.273 49 Y C 1.014 176.813 175.900 -0.169 0.000 1.100 49 Y CA -0.718 57.201 58.100 -0.302 0.000 1.276 49 Y CB 0.311 38.500 38.460 -0.451 0.000 1.196 49 Y HN -0.137 nan 8.280 nan 0.000 0.527 50 F N -0.892 119.164 119.950 0.176 0.000 2.770 50 F HA 0.457 4.984 4.527 -0.000 0.000 0.313 50 F C -1.001 174.844 175.800 0.075 0.000 1.154 50 F CA -2.326 55.741 58.000 0.111 0.000 0.923 50 F CB 0.567 39.623 39.000 0.093 0.000 1.301 50 F HN -0.224 nan 8.300 nan 0.000 0.449 51 R N 0.643 121.365 120.500 0.370 0.000 2.539 51 R HA 0.755 5.095 4.340 -0.000 0.000 0.275 51 R C -1.566 174.914 176.300 0.299 0.000 1.077 51 R CA -0.758 55.488 56.100 0.243 0.000 1.097 51 R CB 1.272 31.656 30.300 0.140 0.000 1.018 51 R HN 0.529 nan 8.270 nan 0.000 0.483 52 V N 4.358 124.402 119.914 0.218 0.000 2.328 52 V HA 0.261 4.381 4.120 -0.000 0.000 0.278 52 V C -2.018 174.140 176.094 0.106 0.000 1.021 52 V CA -2.303 60.111 62.300 0.189 0.000 0.838 52 V CB 1.109 33.044 31.823 0.187 0.000 0.999 52 V HN 0.803 nan 8.190 nan 0.000 0.447 53 P HA 0.009 nan 4.420 nan 0.000 0.260 53 P C 0.321 177.646 177.300 0.043 0.000 1.172 53 P CA 0.457 63.583 63.100 0.045 0.000 0.760 53 P CB 0.324 32.039 31.700 0.025 0.000 0.773 54 A N 4.606 127.447 122.820 0.034 0.000 2.617 54 A HA 0.134 4.453 4.320 -0.000 0.000 0.232 54 A C 1.883 179.484 177.584 0.028 0.000 1.027 54 A CA 0.756 52.810 52.037 0.028 0.000 0.806 54 A CB -1.050 17.961 19.000 0.019 0.000 0.908 54 A HN 0.925 nan 8.150 nan 0.000 0.484 55 G N 1.800 110.616 108.800 0.028 0.000 2.438 55 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.333 55 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.333 55 G C 1.529 176.446 174.900 0.028 0.000 0.922 55 G CA 1.679 46.795 45.100 0.026 0.000 0.763 55 G HN 2.066 nan 8.290 nan 0.000 0.511 56 G N 0.234 109.054 108.800 0.033 0.000 2.631 56 G HA2 -0.044 3.916 3.960 -0.000 0.000 0.219 56 G HA3 -0.044 3.916 3.960 -0.000 0.000 0.219 56 G C 1.689 176.611 174.900 0.038 0.000 1.214 56 G CA 1.602 46.722 45.100 0.033 0.000 0.785 56 G HN 1.162 nan 8.290 nan 0.000 0.596 57 G N 0.713 109.545 108.800 0.053 0.000 2.564 57 G HA2 0.147 4.107 3.960 -0.000 0.000 0.212 57 G HA3 0.147 4.107 3.960 -0.000 0.000 0.212 57 G C 0.564 175.489 174.900 0.041 0.000 1.199 57 G CA 0.648 45.783 45.100 0.058 0.000 0.832 57 G HN 0.716 nan 8.290 nan 0.000 0.565 58 N N 0.156 118.881 118.700 0.041 0.000 2.519 58 N HA 0.162 4.902 4.740 -0.000 0.000 0.286 58 N C -0.547 174.975 175.510 0.021 0.000 1.079 58 N CA -0.643 52.420 53.050 0.023 0.000 0.878 58 N CB 1.975 40.467 38.487 0.009 0.000 1.375 58 N HN 0.316 nan 8.380 nan 0.000 0.514 59 K N 2.299 122.709 120.400 0.015 0.000 2.513 59 K HA -0.329 3.991 4.320 -0.000 0.000 0.259 59 K C -0.358 176.250 176.600 0.013 0.000 1.023 59 K CA 0.968 57.263 56.287 0.013 0.000 1.111 59 K CB 0.098 32.602 32.500 0.008 0.000 0.759 59 K HN 0.854 nan 8.250 nan 0.000 0.456 60 Q N 1.727 121.535 119.800 0.013 0.000 3.236 60 Q HA -0.177 4.163 4.340 -0.000 0.000 0.025 60 Q C -1.328 174.682 176.000 0.018 0.000 1.711 60 Q CA 1.317 57.127 55.803 0.011 0.000 0.240 60 Q CB -0.004 28.737 28.738 0.005 0.000 0.585 60 Q HN 0.742 nan 8.270 nan 0.000 0.322 61 D N 3.052 123.462 120.400 0.017 0.000 2.423 61 D HA 0.129 4.769 4.640 -0.000 0.000 0.238 61 D C 0.261 176.578 176.300 0.028 0.000 1.142 61 D CA 0.361 54.377 54.000 0.027 0.000 0.884 61 D CB 0.454 41.267 40.800 0.021 0.000 1.199 61 D HN 0.316 nan 8.370 nan 0.000 0.438 62 I N 3.632 124.231 120.570 0.047 0.000 2.328 62 I HA 0.214 4.384 4.170 -0.000 0.000 0.287 62 I C -2.129 174.016 176.117 0.047 0.000 1.012 62 I CA -2.400 58.925 61.300 0.043 0.000 1.195 62 I CB 0.870 38.908 38.000 0.063 0.000 1.350 62 I HN -0.067 nan 8.210 nan 0.000 0.464 63 P HA 0.077 nan 4.420 nan 0.000 0.271 63 P C -0.311 177.014 177.300 0.042 0.000 1.233 63 P CA -0.468 62.646 63.100 0.024 0.000 0.789 63 P CB 0.713 32.408 31.700 -0.009 0.000 0.951 64 K N 1.912 122.348 120.400 0.059 0.000 2.273 64 K HA 0.281 4.601 4.320 -0.000 0.000 0.287 64 K C -1.379 175.274 176.600 0.088 0.000 1.089 64 K CA -0.328 56.004 56.287 0.075 0.000 0.909 64 K CB -0.033 32.534 32.500 0.111 0.000 1.123 64 K HN 0.173 nan 8.250 nan 0.000 0.473 65 V N 3.354 123.328 119.914 0.099 0.000 2.350 65 V HA 0.223 4.343 4.120 -0.000 0.000 0.285 65 V C -0.185 176.066 176.094 0.260 0.000 1.014 65 V CA -0.625 61.770 62.300 0.159 0.000 0.831 65 V CB 1.195 33.094 31.823 0.126 0.000 1.000 65 V HN 0.752 nan 8.190 nan 0.000 0.433 66 S N 2.988 118.851 115.700 0.271 0.000 2.648 66 S HA 0.771 5.240 4.470 -0.000 0.000 0.305 66 S C 1.061 175.827 174.600 0.278 0.000 1.094 66 S CA 0.237 58.599 58.200 0.270 0.000 0.983 66 S CB 2.096 65.457 63.200 0.267 0.000 1.101 66 S HN 0.853 nan 8.310 nan 0.000 0.514 67 A N 1.598 124.458 122.820 0.066 0.000 2.072 67 A HA 0.204 4.524 4.320 -0.000 0.000 0.216 67 A C 0.533 178.012 177.584 -0.175 0.000 1.156 67 A CA 0.693 52.716 52.037 -0.022 0.000 0.701 67 A CB -0.520 18.279 19.000 -0.335 0.000 0.816 67 A HN 0.820 nan 8.150 nan 0.000 0.458 68 Y N 1.566 121.956 120.300 0.151 0.000 2.627 68 Y HA 0.208 4.758 4.550 -0.000 0.000 0.339 68 Y C 0.624 176.586 175.900 0.103 0.000 1.137 68 Y CA -0.159 58.023 58.100 0.135 0.000 1.361 68 Y CB -0.458 38.119 38.460 0.195 0.000 1.180 68 Y HN 0.524 nan 8.280 nan 0.000 0.512 69 Q N -1.886 118.032 119.800 0.197 0.000 2.387 69 Q HA 0.416 4.756 4.340 -0.000 0.000 0.273 69 Q C -1.460 174.633 176.000 0.155 0.000 1.089 69 Q CA -1.343 54.578 55.803 0.197 0.000 0.824 69 Q CB 1.378 30.245 28.738 0.216 0.000 1.367 69 Q HN 0.189 nan 8.270 nan 0.000 0.443 70 Y N 0.845 121.210 120.300 0.109 0.000 2.425 70 Y HA 0.128 4.678 4.550 -0.000 0.000 0.331 70 Y C 0.420 176.329 175.900 0.015 0.000 1.157 70 Y CA -0.077 58.069 58.100 0.076 0.000 1.372 70 Y CB 0.691 39.186 38.460 0.059 0.000 1.253 70 Y HN 0.258 nan 8.280 nan 0.000 0.536 71 R N 3.034 123.585 120.500 0.086 0.000 2.207 71 R HA 0.394 4.734 4.340 -0.000 0.000 0.334 71 R C -1.388 174.763 176.300 -0.248 0.000 1.013 71 R CA -0.632 55.336 56.100 -0.220 0.000 0.858 71 R CB 0.941 30.931 30.300 -0.517 0.000 1.094 71 R HN 0.402 nan 8.270 nan 0.000 0.457 72 V N 5.301 125.081 119.914 -0.223 0.000 2.357 72 V HA 0.419 4.539 4.120 -0.000 0.000 0.284 72 V C -0.307 175.669 176.094 -0.196 0.000 1.018 72 V CA -0.687 61.572 62.300 -0.069 0.000 0.841 72 V CB 0.815 32.769 31.823 0.218 0.000 0.991 72 V HN 0.458 nan 8.190 nan 0.000 0.437 73 F N 3.371 123.331 119.950 0.017 0.000 2.436 73 F HA 0.598 5.125 4.527 -0.000 0.000 0.340 73 F C 0.615 176.330 175.800 -0.142 0.000 1.113 73 F CA -0.612 57.354 58.000 -0.057 0.000 1.022 73 F CB 1.551 40.441 39.000 -0.183 0.000 1.128 73 F HN 0.297 nan 8.300 nan 0.000 0.466 74 R N 3.095 123.584 120.500 -0.018 0.000 2.247 74 R HA 0.544 4.884 4.340 -0.000 0.000 0.329 74 R C -1.591 174.566 176.300 -0.238 0.000 1.014 74 R CA -0.427 55.428 56.100 -0.408 0.000 0.907 74 R CB 0.916 30.980 30.300 -0.393 0.000 1.146 74 R HN 0.542 nan 8.270 nan 0.000 0.499 75 V N 4.412 124.151 119.914 -0.292 0.000 2.406 75 V HA 0.140 4.260 4.120 -0.000 0.000 0.272 75 V C 0.031 175.977 176.094 -0.246 0.000 1.043 75 V CA -0.538 61.637 62.300 -0.208 0.000 0.915 75 V CB 1.387 33.056 31.823 -0.256 0.000 0.988 75 V HN 0.633 nan 8.190 nan 0.000 0.466 76 Q N 4.598 124.298 119.800 -0.165 0.000 2.303 76 Q HA 0.559 4.899 4.340 -0.000 0.000 0.257 76 Q C -0.955 174.934 176.000 -0.185 0.000 0.941 76 Q CA -0.052 55.660 55.803 -0.152 0.000 0.931 76 Q CB 1.181 29.872 28.738 -0.079 0.000 1.215 76 Q HN 0.699 nan 8.270 nan 0.000 0.437 77 L N 5.520 126.594 121.223 -0.248 0.000 2.387 77 L HA 0.679 5.019 4.340 -0.000 0.000 0.266 77 L C -1.959 174.688 176.870 -0.372 0.000 1.059 77 L CA -2.328 52.276 54.840 -0.393 0.000 0.801 77 L CB 1.343 43.079 42.059 -0.539 0.000 1.223 77 L HN 0.607 nan 8.230 nan 0.000 0.456 78 P HA 0.025 nan 4.420 nan 0.000 0.278 78 P C -1.120 175.998 177.300 -0.303 0.000 1.238 78 P CA -0.370 62.444 63.100 -0.477 0.000 0.794 78 P CB 0.941 32.136 31.700 -0.843 0.000 0.955 79 D N 4.015 124.307 120.400 -0.180 0.000 2.342 79 D HA 0.024 4.664 4.640 -0.000 0.000 0.260 79 D C -1.033 175.139 176.300 -0.214 0.000 1.278 79 D CA -2.061 51.860 54.000 -0.132 0.000 0.910 79 D CB 0.496 41.275 40.800 -0.036 0.000 1.079 79 D HN 0.216 nan 8.370 nan 0.000 0.496 80 P HA -0.145 nan 4.420 nan 0.000 0.222 80 P C 0.724 177.835 177.300 -0.316 0.000 1.147 80 P CA 0.663 63.398 63.100 -0.608 0.000 0.790 80 P CB 0.566 31.470 31.700 -1.328 0.000 0.780 81 N N 1.339 119.902 118.700 -0.229 0.000 2.092 81 N HA -0.077 4.663 4.740 -0.000 0.000 0.189 81 N C 1.339 176.853 175.510 0.008 0.000 1.040 81 N CA 1.134 54.116 53.050 -0.113 0.000 0.845 81 N CB -0.513 37.924 38.487 -0.083 0.000 1.017 81 N HN 0.301 nan 8.380 nan 0.000 0.426 82 K N 0.181 120.602 120.400 0.034 0.000 2.630 82 K HA 0.049 4.369 4.320 -0.000 0.000 0.204 82 K C -0.209 176.473 176.600 0.137 0.000 1.024 82 K CA -0.100 56.229 56.287 0.069 0.000 1.157 82 K CB -0.241 32.294 32.500 0.058 0.000 0.899 82 K HN 0.049 nan 8.250 nan 0.000 0.501 83 F N 0.495 120.401 119.950 -0.074 0.000 2.483 83 F HA 0.461 4.988 4.527 -0.000 0.000 0.329 83 F C 0.558 176.344 175.800 -0.023 0.000 1.064 83 F CA -1.382 56.582 58.000 -0.060 0.000 0.986 83 F CB 1.167 40.099 39.000 -0.112 0.000 1.218 83 F HN -0.069 nan 8.300 nan 0.000 0.484 84 G N 5.548 113.950 108.800 -0.664 0.000 2.338 84 G HA2 0.480 4.440 3.960 -0.000 0.000 0.295 84 G HA3 0.480 4.440 3.960 -0.000 0.000 0.295 84 G C -0.912 173.676 174.900 -0.520 0.000 1.132 84 G CA -0.531 44.269 45.100 -0.500 0.000 0.922 84 G HN 0.645 nan 8.290 nan 0.000 0.427 85 L N 3.884 125.006 121.223 -0.169 0.000 2.399 85 L HA 0.385 4.725 4.340 -0.000 0.000 0.265 85 L C -0.716 176.163 176.870 0.014 0.000 1.089 85 L CA -1.921 52.915 54.840 -0.006 0.000 0.802 85 L CB 1.783 43.865 42.059 0.039 0.000 1.180 85 L HN 0.369 nan 8.230 nan 0.000 0.454 86 P HA -0.075 nan 4.420 nan 0.000 0.223 86 P C -0.368 176.951 177.300 0.033 0.000 1.151 86 P CA 1.082 64.210 63.100 0.046 0.000 0.787 86 P CB 0.254 31.985 31.700 0.053 0.000 0.788 87 D N -1.534 118.891 120.400 0.042 0.000 2.688 87 D HA 0.116 4.756 4.640 -0.000 0.000 0.210 87 D C -0.706 175.625 176.300 0.052 0.000 1.333 87 D CA -0.277 53.746 54.000 0.039 0.000 0.920 87 D CB 0.400 41.223 40.800 0.039 0.000 1.554 87 D HN -0.358 nan 8.370 nan 0.000 0.579 88 T N 1.603 116.191 114.554 0.055 0.000 3.268 88 T HA 0.235 4.585 4.350 -0.000 0.000 0.244 88 T C 0.640 175.409 174.700 0.114 0.000 0.915 88 T CA 0.009 62.168 62.100 0.100 0.000 0.935 88 T CB -0.273 68.647 68.868 0.087 0.000 1.110 88 T HN 0.349 nan 8.240 nan 0.000 0.573 89 S N 0.278 116.035 115.700 0.095 0.000 2.740 89 S HA 0.297 4.767 4.470 -0.000 0.000 0.244 89 S C 0.825 175.481 174.600 0.094 0.000 1.101 89 S CA -0.589 57.659 58.200 0.079 0.000 1.123 89 S CB -0.236 62.988 63.200 0.040 0.000 1.012 89 S HN 0.214 nan 8.310 nan 0.000 0.491 90 I N 0.906 121.566 120.570 0.151 0.000 3.526 90 I HA 0.318 4.488 4.170 -0.000 0.000 0.294 90 I C 0.670 176.895 176.117 0.180 0.000 1.229 90 I CA 0.137 61.500 61.300 0.104 0.000 1.408 90 I CB -0.973 37.038 38.000 0.018 0.000 1.127 90 I HN 0.747 nan 8.210 nan 0.000 0.439 91 Y N 0.048 120.318 120.300 -0.050 0.000 2.670 91 Y HA 0.585 5.135 4.550 -0.000 0.000 0.334 91 Y C -0.818 175.047 175.900 -0.058 0.000 1.185 91 Y CA -1.667 56.397 58.100 -0.061 0.000 1.053 91 Y CB 1.208 39.613 38.460 -0.092 0.000 1.298 91 Y HN -0.032 nan 8.280 nan 0.000 0.459 92 N N 3.177 121.664 118.700 -0.354 0.000 2.469 92 N HA 0.377 5.117 4.740 -0.000 0.000 0.253 92 N C -2.280 172.796 175.510 -0.724 0.000 0.970 92 N CA -2.752 50.019 53.050 -0.465 0.000 0.940 92 N CB 1.702 40.063 38.487 -0.211 0.000 1.128 92 N HN 0.413 nan 8.380 nan 0.000 0.503 93 P HA -0.119 nan 4.420 nan 0.000 0.234 93 P C 0.004 177.112 177.300 -0.320 0.000 1.162 93 P CA 0.986 63.671 63.100 -0.691 0.000 0.759 93 P CB 0.451 31.854 31.700 -0.496 0.000 0.813 94 E N -0.636 119.405 120.200 -0.265 0.000 2.251 94 E HA -0.012 4.338 4.350 -0.000 0.000 0.194 94 E C 1.822 178.352 176.600 -0.116 0.000 0.964 94 E CA 1.533 57.842 56.400 -0.151 0.000 0.868 94 E CB -0.421 29.208 29.700 -0.118 0.000 0.828 94 E HN 0.403 nan 8.360 nan 0.000 0.481 95 T N -1.886 112.590 114.554 -0.129 0.000 2.971 95 T HA 0.109 4.459 4.350 -0.000 0.000 0.252 95 T C 0.902 175.559 174.700 -0.072 0.000 1.022 95 T CA -0.243 61.810 62.100 -0.077 0.000 0.980 95 T CB 0.370 69.206 68.868 -0.054 0.000 1.044 95 T HN 0.057 nan 8.240 nan 0.000 0.501 96 Q N -0.186 119.545 119.800 -0.114 0.000 2.587 96 Q HA 0.775 5.115 4.340 -0.000 0.000 0.293 96 Q C -1.146 174.807 176.000 -0.078 0.000 1.083 96 Q CA -1.431 54.334 55.803 -0.063 0.000 0.792 96 Q CB 1.760 30.514 28.738 0.028 0.000 1.484 96 Q HN -0.070 nan 8.270 nan 0.000 0.446 97 R N -0.006 120.400 120.500 -0.157 0.000 2.799 97 R HA 0.609 4.948 4.340 -0.000 0.000 0.270 97 R C -1.177 174.884 176.300 -0.398 0.000 1.010 97 R CA -0.829 55.026 56.100 -0.407 0.000 0.916 97 R CB 1.719 31.294 30.300 -1.210 0.000 1.228 97 R HN 0.634 nan 8.270 nan 0.000 0.469 98 L N 1.373 122.290 121.223 -0.511 0.000 2.334 98 L HA 0.683 5.023 4.340 -0.000 0.000 0.276 98 L C -0.506 176.120 176.870 -0.407 0.000 1.014 98 L CA -1.078 53.452 54.840 -0.517 0.000 0.815 98 L CB 2.016 43.650 42.059 -0.708 0.000 1.268 98 L HN 0.192 nan 8.230 nan 0.000 0.428 99 V N 0.068 119.760 119.914 -0.370 0.000 2.841 99 V HA 0.369 4.489 4.120 -0.000 0.000 0.310 99 V C -1.110 174.805 176.094 -0.298 0.000 1.090 99 V CA -0.899 61.255 62.300 -0.242 0.000 0.930 99 V CB 2.020 33.769 31.823 -0.124 0.000 1.014 99 V HN 0.663 nan 8.190 nan 0.000 0.425 100 W N 1.967 123.145 121.300 -0.204 0.000 2.322 100 W HA 0.677 5.337 4.660 -0.000 0.000 0.307 100 W C 0.335 176.772 176.519 -0.138 0.000 1.220 100 W CA -0.395 56.826 57.345 -0.206 0.000 1.210 100 W CB 1.411 30.642 29.460 -0.381 0.000 1.223 100 W HN 0.741 nan 8.180 nan 0.000 0.511 101 A N 3.886 126.869 122.820 0.271 0.000 2.288 101 A HA 0.433 4.753 4.320 -0.000 0.000 0.320 101 A C -0.648 177.098 177.584 0.270 0.000 1.217 101 A CA -0.634 51.487 52.037 0.140 0.000 0.840 101 A CB 0.594 19.625 19.000 0.052 0.000 1.179 101 A HN 0.767 nan 8.150 nan 0.000 0.504 102 C N 2.548 121.953 119.300 0.175 0.000 2.637 102 C HA 0.529 4.989 4.460 -0.000 0.000 0.418 102 C C 1.290 176.261 174.990 -0.032 0.000 1.319 102 C CA 0.701 59.762 59.018 0.071 0.000 1.949 102 C CB -0.159 27.598 27.740 0.028 0.000 2.639 102 C HN 1.074 nan 8.230 nan 0.000 0.594 103 A N 3.778 126.562 122.820 -0.060 0.000 2.600 103 A HA 0.662 4.982 4.320 -0.000 0.000 0.252 103 A C 0.486 178.150 177.584 0.133 0.000 1.200 103 A CA 0.585 52.671 52.037 0.081 0.000 0.981 103 A CB -0.074 19.039 19.000 0.187 0.000 1.207 103 A HN 1.516 nan 8.150 nan 0.000 0.577 104 G N -1.034 107.740 108.800 -0.042 0.000 2.632 104 G HA2 0.550 4.510 3.960 -0.000 0.000 0.292 104 G HA3 0.550 4.510 3.960 -0.000 0.000 0.292 104 G C -1.604 173.124 174.900 -0.287 0.000 1.465 104 G CA -0.138 44.951 45.100 -0.018 0.000 0.824 104 G HN 0.628 nan 8.290 nan 0.000 0.509 105 V N -0.358 119.309 119.914 -0.412 0.000 3.159 105 V HA 0.852 4.972 4.120 -0.000 0.000 0.308 105 V C -0.820 175.002 176.094 -0.454 0.000 1.190 105 V CA -0.892 61.124 62.300 -0.472 0.000 1.037 105 V CB 2.327 33.933 31.823 -0.361 0.000 1.060 105 V HN 1.021 nan 8.190 nan 0.000 0.437 106 E N 1.429 121.336 120.200 -0.490 0.000 2.404 106 E HA 0.461 4.810 4.350 -0.000 0.000 0.298 106 E C -2.018 174.400 176.600 -0.303 0.000 0.908 106 E CA -0.553 55.635 56.400 -0.353 0.000 0.808 106 E CB 1.322 30.785 29.700 -0.396 0.000 1.380 106 E HN 0.571 nan 8.360 nan 0.000 0.392 107 I N 3.764 124.275 120.570 -0.098 0.000 2.322 107 I HA 0.306 4.476 4.170 -0.000 0.000 0.292 107 I C 0.853 176.873 176.117 -0.162 0.000 1.060 107 I CA 0.294 61.484 61.300 -0.183 0.000 1.309 107 I CB 1.343 39.249 38.000 -0.156 0.000 1.415 107 I HN 0.555 nan 8.210 nan 0.000 0.492 108 G N 7.006 115.680 108.800 -0.210 0.000 2.370 108 G HA2 0.444 4.404 3.960 -0.000 0.000 0.272 108 G HA3 0.444 4.404 3.960 -0.000 0.000 0.272 108 G C -0.094 174.674 174.900 -0.220 0.000 1.208 108 G CA -0.632 44.366 45.100 -0.170 0.000 0.856 108 G HN 0.439 nan 8.290 nan 0.000 0.500 109 R N 1.399 121.792 120.500 -0.179 0.000 2.589 109 R HA 0.467 4.807 4.340 -0.000 0.000 0.293 109 R C 0.894 177.090 176.300 -0.172 0.000 0.963 109 R CA -0.328 55.617 56.100 -0.257 0.000 0.905 109 R CB 2.206 32.383 30.300 -0.204 0.000 1.144 109 R HN 0.591 nan 8.270 nan 0.000 0.459 110 G N 1.395 110.075 108.800 -0.200 0.000 2.695 110 G HA2 -0.056 3.904 3.960 -0.000 0.000 0.219 110 G HA3 -0.056 3.904 3.960 -0.000 0.000 0.219 110 G C 0.232 175.085 174.900 -0.079 0.000 1.295 110 G CA 0.026 45.057 45.100 -0.116 0.000 0.882 110 G HN 0.353 nan 8.290 nan 0.000 0.570 111 Q N 1.081 120.836 119.800 -0.075 0.000 2.841 111 Q HA 0.199 4.539 4.340 -0.000 0.000 0.198 111 Q C -2.081 173.904 176.000 -0.026 0.000 1.135 111 Q CA -0.926 54.853 55.803 -0.040 0.000 1.167 111 Q CB -0.273 28.444 28.738 -0.035 0.000 1.288 111 Q HN 0.262 nan 8.270 nan 0.000 0.670 112 P HA 0.178 nan 4.420 nan 0.000 0.279 112 P C -0.531 176.777 177.300 0.014 0.000 1.252 112 P CA -0.569 62.532 63.100 0.002 0.000 0.811 112 P CB 0.603 32.306 31.700 0.005 0.000 1.035 113 L N 1.221 122.454 121.223 0.017 0.000 2.485 113 L HA 0.495 4.835 4.340 -0.000 0.000 0.275 113 L C 1.274 178.163 176.870 0.032 0.000 1.207 113 L CA 1.435 56.291 54.840 0.026 0.000 0.855 113 L CB -0.507 41.567 42.059 0.025 0.000 1.114 113 L HN 0.759 nan 8.230 nan 0.000 0.485 114 G N 1.436 110.260 108.800 0.040 0.000 2.550 114 G HA2 0.621 4.581 3.960 -0.000 0.000 0.293 114 G HA3 0.621 4.581 3.960 -0.000 0.000 0.293 114 G C -1.666 173.264 174.900 0.050 0.000 1.402 114 G CA 0.009 45.135 45.100 0.044 0.000 0.784 114 G HN 0.715 nan 8.290 nan 0.000 0.482 115 V N -2.506 117.438 119.914 0.051 0.000 2.962 115 V HA 1.058 5.178 4.120 -0.000 0.000 0.313 115 V C 0.127 176.253 176.094 0.053 0.000 1.099 115 V CA -0.220 62.117 62.300 0.060 0.000 0.971 115 V CB 1.603 33.465 31.823 0.064 0.000 1.028 115 V HN 1.954 nan 8.190 nan 0.000 0.430 116 G N 2.026 110.865 108.800 0.066 0.000 2.706 116 G HA2 0.656 4.616 3.960 -0.000 0.000 0.297 116 G HA3 0.656 4.616 3.960 -0.000 0.000 0.297 116 G C -1.398 173.522 174.900 0.033 0.000 1.403 116 G CA -0.996 44.133 45.100 0.049 0.000 0.954 116 G HN 0.880 nan 8.290 nan 0.000 0.500 117 L N 0.547 121.773 121.223 0.004 0.000 2.399 117 L HA 0.698 5.038 4.340 -0.000 0.000 0.265 117 L C 0.194 176.999 176.870 -0.108 0.000 1.089 117 L CA -0.742 54.052 54.840 -0.077 0.000 0.802 117 L CB 1.822 43.852 42.059 -0.049 0.000 1.180 117 L HN 0.458 nan 8.230 nan 0.000 0.454 118 S N -0.233 115.263 115.700 -0.340 0.000 2.538 118 S HA 0.801 5.271 4.470 -0.000 0.000 0.288 118 S C -0.177 174.195 174.600 -0.380 0.000 1.108 118 S CA -0.671 57.242 58.200 -0.478 0.000 0.971 118 S CB 2.103 64.894 63.200 -0.681 0.000 1.041 118 S HN 0.853 nan 8.310 nan 0.000 0.483 119 G N 0.781 109.338 108.800 -0.404 0.000 2.733 119 G HA2 0.662 4.622 3.960 -0.000 0.000 0.288 119 G HA3 0.662 4.622 3.960 -0.000 0.000 0.288 119 G C -1.922 172.902 174.900 -0.126 0.000 1.373 119 G CA -0.429 44.544 45.100 -0.213 0.000 0.895 119 G HN 0.634 nan 8.290 nan 0.000 0.479 120 H N 0.199 119.205 119.070 -0.107 0.000 2.771 120 H HA 0.392 4.948 4.556 -0.000 0.000 0.361 120 H C -2.102 173.150 175.328 -0.125 0.000 1.108 120 H CA -1.606 54.401 56.048 -0.068 0.000 1.201 120 H CB 3.160 32.947 29.762 0.041 0.000 1.681 120 H HN 0.135 nan 8.280 nan 0.000 0.534 121 P HA -0.016 nan 4.420 nan 0.000 0.219 121 P C -0.152 176.861 177.300 -0.479 0.000 1.150 121 P CA 1.230 64.043 63.100 -0.478 0.000 0.814 121 P CB 0.139 31.347 31.700 -0.819 0.000 0.787 122 F N -2.655 117.571 119.950 0.459 0.000 2.597 122 F HA 0.268 4.795 4.527 -0.000 0.000 0.336 122 F C 0.301 176.120 175.800 0.031 0.000 1.432 122 F CA -1.308 56.813 58.000 0.201 0.000 1.120 122 F CB -0.174 38.917 39.000 0.152 0.000 1.253 122 F HN -0.195 nan 8.300 nan 0.000 0.546 123 Y N 1.998 122.304 120.300 0.010 0.000 2.702 123 Y HA -0.035 4.514 4.550 -0.000 0.000 0.336 123 Y C 0.775 176.578 175.900 -0.161 0.000 1.235 123 Y CA 0.093 58.086 58.100 -0.178 0.000 1.492 123 Y CB 0.442 38.800 38.460 -0.171 0.000 1.308 123 Y HN 0.264 nan 8.280 nan 0.000 0.589 124 N N 6.155 124.587 118.700 -0.447 0.000 2.868 124 N HA 0.074 4.814 4.740 -0.000 0.000 0.252 124 N C -1.396 173.989 175.510 -0.207 0.000 1.130 124 N CA -0.146 52.737 53.050 -0.278 0.000 1.026 124 N CB -0.214 38.089 38.487 -0.307 0.000 1.335 124 N HN 0.590 nan 8.380 nan 0.000 0.516 125 K N 4.107 124.465 120.400 -0.069 0.000 2.483 125 K HA 0.130 4.450 4.320 -0.000 0.000 0.256 125 K C 0.408 176.955 176.600 -0.088 0.000 0.961 125 K CA -0.617 55.606 56.287 -0.107 0.000 0.873 125 K CB 1.059 33.291 32.500 -0.446 0.000 1.107 125 K HN 0.227 nan 8.250 nan 0.000 0.432 126 L N 3.934 125.152 121.223 -0.008 0.000 1.938 126 L HA -0.020 4.320 4.340 -0.000 0.000 0.212 126 L C -0.163 176.727 176.870 0.033 0.000 1.085 126 L CA 2.132 56.980 54.840 0.013 0.000 0.760 126 L CB -0.180 41.899 42.059 0.035 0.000 0.888 126 L HN 0.901 nan 8.230 nan 0.000 0.433 127 D N -2.972 117.497 120.400 0.114 0.000 2.626 127 D HA 0.231 4.871 4.640 -0.000 0.000 0.278 127 D C -1.472 175.033 176.300 0.342 0.000 1.211 127 D CA -0.635 53.462 54.000 0.161 0.000 0.903 127 D CB 0.182 41.061 40.800 0.131 0.000 1.408 127 D HN 0.078 nan 8.370 nan 0.000 0.454 128 D N -0.712 119.902 120.400 0.356 0.000 2.342 128 D HA 0.228 4.868 4.640 -0.000 0.000 0.260 128 D C 0.638 177.106 176.300 0.280 0.000 1.278 128 D CA -0.059 54.185 54.000 0.407 0.000 0.910 128 D CB 0.534 41.518 40.800 0.307 0.000 1.079 128 D HN 0.416 nan 8.370 nan 0.000 0.496 129 T N 0.143 114.886 114.554 0.315 0.000 3.278 129 T HA 0.062 4.412 4.350 -0.000 0.000 0.251 129 T C 1.150 175.970 174.700 0.199 0.000 1.039 129 T CA -0.279 61.977 62.100 0.259 0.000 0.935 129 T CB 0.118 69.194 68.868 0.347 0.000 1.034 129 T HN 0.549 nan 8.240 nan 0.000 0.575 130 E N 1.908 122.180 120.200 0.119 0.000 2.102 130 E HA -0.016 4.334 4.350 -0.000 0.000 0.190 130 E C 0.899 177.484 176.600 -0.025 0.000 0.971 130 E CA 0.955 57.334 56.400 -0.035 0.000 0.821 130 E CB 0.335 29.800 29.700 -0.391 0.000 0.777 130 E HN 0.586 nan 8.360 nan 0.000 0.460 131 S N -0.077 115.623 115.700 0.000 0.000 2.814 131 S HA 0.022 4.492 4.470 -0.000 0.000 0.193 131 S C -0.328 174.279 174.600 0.011 0.000 0.786 131 S CA -0.110 58.085 58.200 -0.009 0.000 0.913 131 S CB -1.072 62.092 63.200 -0.059 0.000 1.543 131 S HN 0.273 nan 8.310 nan 0.000 0.552 132 S N 1.470 117.209 115.700 0.065 0.000 2.806 132 S HA -0.113 4.357 4.470 -0.000 0.000 0.334 132 S C 1.095 175.749 174.600 0.090 0.000 1.226 132 S CA 0.242 58.502 58.200 0.100 0.000 1.017 132 S CB -0.147 63.124 63.200 0.118 0.000 0.712 132 S HN 0.507 nan 8.310 nan 0.000 0.491 133 H N 2.772 121.866 119.070 0.040 0.000 2.394 133 H HA -0.120 4.436 4.556 -0.000 0.000 0.297 133 H C 1.217 176.562 175.328 0.029 0.000 1.113 133 H CA 2.053 58.119 56.048 0.030 0.000 1.277 133 H CB -0.191 29.588 29.762 0.028 0.000 1.370 133 H HN 0.880 nan 8.280 nan 0.000 0.506 134 A N -0.937 121.990 122.820 0.178 0.000 4.978 134 A HA 0.611 4.931 4.320 -0.000 0.000 0.137 134 A C -0.151 177.487 177.584 0.090 0.000 0.956 134 A CA 0.155 52.259 52.037 0.111 0.000 1.577 134 A CB -0.482 18.580 19.000 0.103 0.000 2.444 134 A HN 0.363 nan 8.150 nan 0.000 1.089 135 A N -0.529 122.334 122.820 0.072 0.000 2.307 135 A HA 0.577 4.897 4.320 -0.000 0.000 0.271 135 A C 0.720 178.344 177.584 0.066 0.000 1.188 135 A CA 1.154 53.228 52.037 0.062 0.000 0.810 135 A CB -0.632 18.396 19.000 0.047 0.000 1.123 135 A HN 2.142 nan 8.150 nan 0.000 0.509 136 T N -2.853 111.736 114.554 0.058 0.000 2.838 136 T HA 0.607 4.957 4.350 -0.000 0.000 0.292 136 T C 0.138 174.862 174.700 0.040 0.000 1.113 136 T CA -0.035 62.100 62.100 0.058 0.000 1.008 136 T CB 0.426 69.340 68.868 0.076 0.000 1.259 136 T HN 1.611 nan 8.240 nan 0.000 0.520 137 S N 1.034 116.756 115.700 0.036 0.000 2.540 137 S HA 0.010 4.480 4.470 -0.000 0.000 0.272 137 S C 0.219 174.831 174.600 0.018 0.000 1.357 137 S CA -0.399 57.815 58.200 0.024 0.000 1.011 137 S CB -0.578 62.634 63.200 0.019 0.000 0.852 137 S HN 0.957 nan 8.310 nan 0.000 0.535 138 N N -0.275 118.432 118.700 0.011 0.000 2.488 138 N HA 0.217 4.957 4.740 -0.000 0.000 0.274 138 N C -0.090 175.420 175.510 0.000 0.000 1.111 138 N CA -0.574 52.479 53.050 0.006 0.000 0.974 138 N CB 0.694 39.184 38.487 0.004 0.000 1.089 138 N HN 0.486 nan 8.380 nan 0.000 0.465 139 V N 3.010 122.922 119.914 -0.003 0.000 3.102 139 V HA -0.016 4.104 4.120 -0.000 0.000 0.371 139 V C 1.655 177.740 176.094 -0.015 0.000 1.414 139 V CA 0.412 62.705 62.300 -0.011 0.000 1.565 139 V CB -1.773 30.041 31.823 -0.015 0.000 1.273 139 V HN 0.773 nan 8.190 nan 0.000 0.478 140 S N 0.183 115.876 115.700 -0.013 0.000 2.343 140 S HA -0.019 4.451 4.470 -0.000 0.000 0.212 140 S C 0.688 175.275 174.600 -0.021 0.000 1.033 140 S CA 0.963 59.155 58.200 -0.014 0.000 1.004 140 S CB 0.237 63.430 63.200 -0.011 0.000 0.977 140 S HN 0.767 nan 8.310 nan 0.000 0.427 141 E N -0.458 119.728 120.200 -0.024 0.000 2.412 141 E HA 0.095 4.445 4.350 -0.000 0.000 0.283 141 E C -2.056 174.522 176.600 -0.035 0.000 1.160 141 E CA -0.444 55.936 56.400 -0.033 0.000 0.918 141 E CB 0.381 30.060 29.700 -0.035 0.000 1.194 141 E HN 0.162 nan 8.360 nan 0.000 0.428 142 D N 1.862 122.233 120.400 -0.049 0.000 4.755 142 D HA -0.119 4.521 4.640 -0.000 0.000 0.197 142 D C -0.178 176.105 176.300 -0.028 0.000 1.031 142 D CA 1.279 55.247 54.000 -0.053 0.000 1.058 142 D CB -0.080 40.677 40.800 -0.072 0.000 0.992 142 D HN 0.246 nan 8.370 nan 0.000 0.549 143 V N 4.531 124.433 119.914 -0.020 0.000 3.199 143 V HA 0.089 4.209 4.120 -0.000 0.000 0.331 143 V C 0.974 177.070 176.094 0.004 0.000 1.446 143 V CA -0.321 61.975 62.300 -0.006 0.000 1.120 143 V CB 0.125 31.941 31.823 -0.013 0.000 1.051 143 V HN 0.359 nan 8.190 nan 0.000 0.495 144 R N 1.747 122.260 120.500 0.023 0.000 2.537 144 R HA 0.309 4.649 4.340 -0.000 0.000 0.280 144 R C -0.685 175.679 176.300 0.106 0.000 1.058 144 R CA 0.292 56.430 56.100 0.063 0.000 1.057 144 R CB 0.453 30.821 30.300 0.112 0.000 0.973 144 R HN 0.313 nan 8.270 nan 0.000 0.438 145 D N 0.882 121.313 120.400 0.052 0.000 2.374 145 D HA 0.080 4.719 4.640 -0.000 0.000 0.239 145 D C -0.603 175.699 176.300 0.003 0.000 0.991 145 D CA -0.704 53.304 54.000 0.013 0.000 0.960 145 D CB 1.186 41.945 40.800 -0.068 0.000 1.284 145 D HN 0.338 nan 8.370 nan 0.000 0.512 146 N N 1.173 119.846 118.700 -0.044 0.000 2.406 146 N HA 0.227 4.967 4.740 -0.000 0.000 0.251 146 N C -0.938 174.504 175.510 -0.112 0.000 1.069 146 N CA -0.261 52.741 53.050 -0.080 0.000 0.947 146 N CB 0.527 38.947 38.487 -0.112 0.000 1.111 146 N HN 0.273 nan 8.380 nan 0.000 0.497 147 V N 1.272 121.101 119.914 -0.141 0.000 2.914 147 V HA 0.880 5.000 4.120 -0.000 0.000 0.314 147 V C -0.109 175.868 176.094 -0.194 0.000 1.084 147 V CA -0.739 61.420 62.300 -0.235 0.000 0.963 147 V CB 1.437 32.955 31.823 -0.509 0.000 1.025 147 V HN 0.710 nan 8.190 nan 0.000 0.432 148 S N 2.213 117.818 115.700 -0.158 0.000 2.745 148 S HA 0.970 5.440 4.470 -0.000 0.000 0.306 148 S C -0.705 173.831 174.600 -0.106 0.000 1.137 148 S CA -0.302 57.817 58.200 -0.136 0.000 0.900 148 S CB 1.722 64.858 63.200 -0.108 0.000 1.176 148 S HN 2.340 nan 8.310 nan 0.000 0.520 149 V N 0.932 120.765 119.914 -0.136 0.000 3.106 149 V HA 0.400 4.520 4.120 -0.000 0.000 0.280 149 V C -2.288 173.677 176.094 -0.215 0.000 1.525 149 V CA -0.689 61.553 62.300 -0.096 0.000 0.999 149 V CB 2.134 33.970 31.823 0.021 0.000 1.186 149 V HN 1.209 nan 8.190 nan 0.000 0.448 150 D N 4.970 125.291 120.400 -0.132 0.000 2.232 150 D HA 0.308 4.948 4.640 -0.000 0.000 0.242 150 D C -0.145 176.117 176.300 -0.064 0.000 1.093 150 D CA -0.182 53.745 54.000 -0.122 0.000 0.845 150 D CB 0.951 41.742 40.800 -0.014 0.000 1.124 150 D HN 0.590 nan 8.370 nan 0.000 0.467 151 Y N 0.477 120.712 120.300 -0.109 0.000 2.223 151 Y HA -0.024 4.526 4.550 -0.000 0.000 0.352 151 Y C 1.686 177.570 175.900 -0.027 0.000 1.293 151 Y CA -0.768 57.220 58.100 -0.187 0.000 1.601 151 Y CB 0.799 38.848 38.460 -0.685 0.000 1.407 151 Y HN 0.266 nan 8.280 nan 0.000 0.639 152 K N 1.650 122.146 120.400 0.160 0.000 2.414 152 K HA -0.053 4.267 4.320 -0.000 0.000 0.272 152 K C -0.528 176.220 176.600 0.247 0.000 0.993 152 K CA -0.303 56.058 56.287 0.123 0.000 0.964 152 K CB 0.521 33.056 32.500 0.057 0.000 0.925 152 K HN 0.628 nan 8.250 nan 0.000 0.487 153 Q N 2.557 122.469 119.800 0.186 0.000 2.274 153 Q HA 0.202 4.542 4.340 -0.000 0.000 0.256 153 Q C -1.338 174.758 176.000 0.161 0.000 0.927 153 Q CA -0.267 55.654 55.803 0.196 0.000 0.939 153 Q CB 1.285 30.109 28.738 0.144 0.000 1.201 153 Q HN 0.706 nan 8.270 nan 0.000 0.426 154 T N 3.340 117.992 114.554 0.164 0.000 2.883 154 T HA 0.459 4.809 4.350 -0.000 0.000 0.301 154 T C -1.256 173.514 174.700 0.116 0.000 1.158 154 T CA -0.795 61.388 62.100 0.139 0.000 1.007 154 T CB 1.803 70.773 68.868 0.172 0.000 1.186 154 T HN 0.590 nan 8.240 nan 0.000 0.499 155 Q N 1.413 121.273 119.800 0.101 0.000 2.296 155 Q HA 0.588 4.928 4.340 -0.000 0.000 0.254 155 Q C -1.634 174.428 176.000 0.104 0.000 0.936 155 Q CA -0.767 55.097 55.803 0.102 0.000 0.834 155 Q CB 2.200 30.897 28.738 -0.067 0.000 1.340 155 Q HN 0.663 nan 8.270 nan 0.000 0.428 156 L N -0.901 120.449 121.223 0.212 0.000 2.424 156 L HA 1.017 5.357 4.340 -0.000 0.000 0.258 156 L C -1.341 175.714 176.870 0.309 0.000 0.995 156 L CA -0.780 54.180 54.840 0.201 0.000 0.821 156 L CB 2.331 44.515 42.059 0.208 0.000 1.383 156 L HN 0.677 nan 8.230 nan 0.000 0.410 157 C N 3.037 122.476 119.300 0.232 0.000 2.701 157 C HA 0.853 5.313 4.460 -0.000 0.000 0.336 157 C C -1.091 174.022 174.990 0.205 0.000 1.123 157 C CA -0.380 58.805 59.018 0.278 0.000 1.326 157 C CB 0.590 28.568 27.740 0.397 0.000 1.833 157 C HN 0.865 nan 8.230 nan 0.000 0.473 158 I N 5.895 126.603 120.570 0.230 0.000 2.569 158 I HA 0.466 4.636 4.170 -0.000 0.000 0.290 158 I C -0.807 175.449 176.117 0.231 0.000 1.088 158 I CA -0.594 60.831 61.300 0.207 0.000 1.047 158 I CB 1.773 39.840 38.000 0.112 0.000 1.237 158 I HN 0.474 nan 8.210 nan 0.000 0.421 159 L N 4.450 125.846 121.223 0.288 0.000 2.334 159 L HA 0.926 5.266 4.340 -0.000 0.000 0.276 159 L C 0.151 176.854 176.870 -0.279 0.000 1.014 159 L CA -0.382 54.585 54.840 0.212 0.000 0.815 159 L CB 2.064 44.406 42.059 0.472 0.000 1.268 159 L HN 0.860 nan 8.230 nan 0.000 0.428 160 G N -0.028 108.512 108.800 -0.435 0.000 2.466 160 G HA2 0.290 4.250 3.960 -0.000 0.000 0.291 160 G HA3 0.290 4.250 3.960 -0.000 0.000 0.291 160 G C -0.672 174.073 174.900 -0.259 0.000 1.460 160 G CA -0.378 44.144 45.100 -0.963 0.000 0.791 160 G HN 0.727 nan 8.290 nan 0.000 0.505 161 C N -0.515 118.725 119.300 -0.101 0.000 2.336 161 C HA 0.824 5.284 4.460 -0.000 0.000 0.332 161 C C 0.770 175.909 174.990 0.248 0.000 1.375 161 C CA -0.279 58.877 59.018 0.230 0.000 1.785 161 C CB -1.782 26.146 27.740 0.313 0.000 2.407 161 C HN 1.754 nan 8.230 nan 0.000 0.562 162 A N 1.093 123.897 122.820 -0.027 0.000 2.594 162 A HA 0.846 5.166 4.320 -0.000 0.000 0.296 162 A C -3.078 173.896 177.584 -1.018 0.000 1.061 162 A CA -0.865 50.892 52.037 -0.466 0.000 0.689 162 A CB 0.965 19.867 19.000 -0.163 0.000 1.280 162 A HN 0.196 nan 8.150 nan 0.000 0.406 163 P HA 0.418 nan 4.420 nan 0.000 0.272 163 P C 0.130 177.113 177.300 -0.529 0.000 1.230 163 P CA 0.279 62.671 63.100 -1.180 0.000 0.788 163 P CB 1.063 32.107 31.700 -1.093 0.000 0.949 164 A N 2.201 124.810 122.820 -0.351 0.000 2.272 164 A HA 0.503 4.823 4.320 -0.000 0.000 0.275 164 A C -0.007 177.440 177.584 -0.228 0.000 1.096 164 A CA -0.390 51.499 52.037 -0.246 0.000 0.822 164 A CB -0.183 18.702 19.000 -0.191 0.000 1.088 164 A HN 0.454 nan 8.150 nan 0.000 0.495 165 I N 0.107 120.551 120.570 -0.210 0.000 2.412 165 I HA 0.561 4.730 4.170 -0.000 0.000 0.296 165 I C 0.826 176.811 176.117 -0.220 0.000 0.987 165 I CA 0.543 61.730 61.300 -0.187 0.000 1.180 165 I CB 1.842 39.755 38.000 -0.145 0.000 1.340 165 I HN 0.735 nan 8.210 nan 0.000 0.455 166 G N 4.098 112.784 108.800 -0.191 0.000 2.788 166 G HA2 0.795 4.755 3.960 -0.000 0.000 0.293 166 G HA3 0.795 4.755 3.960 -0.000 0.000 0.293 166 G C -1.409 173.442 174.900 -0.082 0.000 1.305 166 G CA -0.439 44.557 45.100 -0.175 0.000 1.005 166 G HN 0.616 nan 8.290 nan 0.000 0.496 167 E N -1.059 119.134 120.200 -0.011 0.000 2.356 167 E HA 0.623 4.973 4.350 -0.000 0.000 0.275 167 E C -1.450 175.189 176.600 0.065 0.000 0.904 167 E CA -0.993 55.389 56.400 -0.030 0.000 0.757 167 E CB 2.310 31.965 29.700 -0.075 0.000 1.232 167 E HN 0.818 nan 8.360 nan 0.000 0.442 168 H N 0.428 119.362 119.070 -0.227 0.000 2.987 168 H HA 0.280 4.836 4.556 -0.000 0.000 0.316 168 H C -1.944 173.170 175.328 -0.355 0.000 1.380 168 H CA -1.133 54.797 56.048 -0.196 0.000 1.160 168 H CB 0.200 29.949 29.762 -0.023 0.000 1.865 168 H HN 0.614 nan 8.280 nan 0.000 0.521 169 W N 1.098 122.372 121.300 -0.043 0.000 2.417 169 W HA 0.726 5.386 4.660 -0.000 0.000 0.317 169 W C -0.007 176.444 176.519 -0.112 0.000 1.121 169 W CA -0.061 57.201 57.345 -0.138 0.000 1.208 169 W CB 1.811 31.225 29.460 -0.077 0.000 1.253 169 W HN 0.855 nan 8.180 nan 0.000 0.533 170 A N 2.414 125.256 122.820 0.037 0.000 2.486 170 A HA 0.600 4.920 4.320 -0.000 0.000 0.289 170 A C -1.004 176.620 177.584 0.065 0.000 1.176 170 A CA -1.152 50.918 52.037 0.055 0.000 0.757 170 A CB 1.419 20.416 19.000 -0.006 0.000 1.337 170 A HN 0.535 nan 8.150 nan 0.000 0.423 171 K N 1.093 121.524 120.400 0.051 0.000 2.363 171 K HA 0.268 4.588 4.320 -0.000 0.000 0.289 171 K C 0.619 177.234 176.600 0.027 0.000 1.063 171 K CA 0.291 56.600 56.287 0.036 0.000 0.967 171 K CB -0.186 32.331 32.500 0.028 0.000 0.987 171 K HN 0.893 nan 8.250 nan 0.000 0.473 172 G N 3.115 111.932 108.800 0.030 0.000 2.287 172 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.235 172 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.235 172 G C 0.248 175.156 174.900 0.012 0.000 1.258 172 G CA -0.065 45.048 45.100 0.021 0.000 0.884 172 G HN 0.767 nan 8.290 nan 0.000 0.518 173 T N 0.045 114.603 114.554 0.006 0.000 2.891 173 T HA 0.331 4.681 4.350 -0.000 0.000 0.296 173 T C 0.691 175.393 174.700 0.004 0.000 1.025 173 T CA 0.192 62.294 62.100 0.004 0.000 1.149 173 T CB 0.518 69.386 68.868 0.000 0.000 1.007 173 T HN 1.305 nan 8.240 nan 0.000 0.528 174 A N 5.031 127.853 122.820 0.003 0.000 2.354 174 A HA 0.537 4.857 4.320 -0.000 0.000 0.281 174 A C 0.959 178.544 177.584 0.001 0.000 1.174 174 A CA -0.350 51.688 52.037 0.002 0.000 0.828 174 A CB -0.268 18.733 19.000 0.001 0.000 1.099 174 A HN 1.490 nan 8.150 nan 0.000 0.516 175 S N 2.619 118.320 115.700 0.001 0.000 2.558 175 S HA 0.001 4.471 4.470 -0.000 0.000 0.293 175 S C 1.016 175.616 174.600 -0.000 0.000 1.292 175 S CA 0.355 58.556 58.200 0.001 0.000 1.063 175 S CB 0.464 63.665 63.200 0.001 0.000 0.831 175 S HN 0.807 nan 8.310 nan 0.000 0.499 176 K N 2.255 122.654 120.400 -0.001 0.000 2.097 176 K HA -0.132 4.188 4.320 -0.000 0.000 0.205 176 K C 2.251 178.850 176.600 -0.001 0.000 1.050 176 K CA 1.451 57.738 56.287 -0.001 0.000 0.938 176 K CB -0.725 31.774 32.500 -0.002 0.000 0.718 176 K HN 0.723 nan 8.250 nan 0.000 0.442 177 S N 0.635 116.334 115.700 -0.001 0.000 2.383 177 S HA -0.122 4.348 4.470 -0.000 0.000 0.229 177 S C 1.288 175.887 174.600 -0.001 0.000 1.030 177 S CA 0.491 58.690 58.200 -0.001 0.000 1.002 177 S CB -0.105 63.095 63.200 -0.001 0.000 0.829 177 S HN 0.203 nan 8.310 nan 0.000 0.467 178 R N 2.381 122.880 120.500 -0.001 0.000 2.513 178 R HA 0.452 4.792 4.340 -0.000 0.000 0.283 178 R C -3.007 173.292 176.300 -0.002 0.000 1.535 178 R CA -2.202 53.897 56.100 -0.001 0.000 1.315 178 R CB 1.200 31.499 30.300 -0.001 0.000 1.163 178 R HN 0.402 nan 8.270 nan 0.000 0.573 179 P HA 0.083 nan 4.420 nan 0.000 0.272 179 P C -0.596 176.703 177.300 -0.003 0.000 1.230 179 P CA -0.642 62.457 63.100 -0.002 0.000 0.788 179 P CB 1.152 32.850 31.700 -0.002 0.000 0.949 180 L N 1.560 122.781 121.223 -0.003 0.000 2.276 180 L HA 0.265 4.605 4.340 -0.000 0.000 0.286 180 L C 0.474 177.341 176.870 -0.005 0.000 1.024 180 L CA -0.400 54.438 54.840 -0.004 0.000 0.826 180 L CB 0.532 42.588 42.059 -0.004 0.000 1.211 180 L HN 0.419 nan 8.230 nan 0.000 0.422 181 S N 3.398 119.095 115.700 -0.006 0.000 2.563 181 S HA -0.004 4.466 4.470 -0.000 0.000 0.294 181 S C 0.236 174.832 174.600 -0.008 0.000 1.279 181 S CA -0.234 57.962 58.200 -0.007 0.000 1.069 181 S CB 0.207 63.403 63.200 -0.007 0.000 0.828 181 S HN 0.685 nan 8.310 nan 0.000 0.497 182 Q N 3.505 123.300 119.800 -0.008 0.000 2.263 182 Q HA 0.389 4.729 4.340 -0.000 0.000 0.289 182 Q C 1.214 177.207 176.000 -0.011 0.000 1.061 182 Q CA 1.693 57.491 55.803 -0.009 0.000 0.927 182 Q CB 0.004 28.736 28.738 -0.010 0.000 1.154 182 Q HN 1.119 nan 8.270 nan 0.000 0.378 183 G N 3.181 111.973 108.800 -0.013 0.000 2.352 183 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.204 183 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.204 183 G C -0.212 174.678 174.900 -0.017 0.000 1.004 183 G CA -0.112 44.979 45.100 -0.016 0.000 0.648 183 G HN 0.635 nan 8.290 nan 0.000 0.491 184 D N -0.003 120.389 120.400 -0.015 0.000 2.358 184 D HA 0.486 5.126 4.640 -0.000 0.000 0.244 184 D C 0.611 176.900 176.300 -0.017 0.000 1.163 184 D CA 0.154 54.145 54.000 -0.015 0.000 0.945 184 D CB 1.194 41.987 40.800 -0.012 0.000 1.152 184 D HN 0.393 nan 8.370 nan 0.000 0.451 185 C N 3.041 122.329 119.300 -0.020 0.000 2.394 185 C HA 0.484 4.944 4.460 -0.000 0.000 0.362 185 C C -2.022 172.957 174.990 -0.019 0.000 1.268 185 C CA -1.405 57.599 59.018 -0.023 0.000 1.828 185 C CB -0.589 27.132 27.740 -0.031 0.000 2.442 185 C HN 0.436 nan 8.230 nan 0.000 0.549 186 P HA 0.370 nan 4.420 nan 0.000 0.276 186 P C -2.772 174.523 177.300 -0.009 0.000 1.252 186 P CA -1.026 62.069 63.100 -0.008 0.000 0.802 186 P CB 0.254 31.953 31.700 -0.003 0.000 1.035 187 P HA 0.204 nan 4.420 nan 0.000 0.285 187 P C -0.699 176.622 177.300 0.034 0.000 1.259 187 P CA -0.303 62.803 63.100 0.009 0.000 0.794 187 P CB 0.695 32.403 31.700 0.014 0.000 0.940 188 L N 2.715 123.967 121.223 0.049 0.000 2.331 188 L HA 0.380 4.720 4.340 -0.000 0.000 0.278 188 L C 0.863 177.887 176.870 0.257 0.000 1.106 188 L CA 0.167 55.090 54.840 0.139 0.000 0.824 188 L CB -0.129 41.957 42.059 0.046 0.000 1.142 188 L HN 0.576 nan 8.230 nan 0.000 0.443 189 E N 2.458 122.803 120.200 0.242 0.000 2.222 189 E HA 0.346 4.696 4.350 -0.000 0.000 0.267 189 E C -1.404 175.144 176.600 -0.086 0.000 0.884 189 E CA -0.980 55.501 56.400 0.135 0.000 0.764 189 E CB 2.393 32.104 29.700 0.018 0.000 1.169 189 E HN 0.369 nan 8.360 nan 0.000 0.413 190 L N 4.197 125.182 121.223 -0.397 0.000 2.313 190 L HA 0.322 4.662 4.340 -0.000 0.000 0.282 190 L C -0.754 175.804 176.870 -0.520 0.000 1.092 190 L CA 0.366 54.690 54.840 -0.860 0.000 0.831 190 L CB 0.408 41.904 42.059 -0.939 0.000 1.159 190 L HN 0.405 nan 8.230 nan 0.000 0.442 191 K N 4.055 124.105 120.400 -0.583 0.000 2.292 191 K HA 0.400 4.720 4.320 -0.000 0.000 0.257 191 K C -0.890 175.554 176.600 -0.261 0.000 0.940 191 K CA -0.922 55.128 56.287 -0.396 0.000 0.811 191 K CB 1.344 33.587 32.500 -0.427 0.000 1.120 191 K HN 0.561 nan 8.250 nan 0.000 0.428 192 N N 1.201 119.809 118.700 -0.154 0.000 2.498 192 N HA 0.271 5.011 4.740 -0.000 0.000 0.287 192 N C -0.538 174.943 175.510 -0.049 0.000 1.097 192 N CA 0.170 53.163 53.050 -0.096 0.000 0.973 192 N CB 1.830 40.263 38.487 -0.092 0.000 1.153 192 N HN 0.563 nan 8.380 nan 0.000 0.472 193 T N -0.702 113.829 114.554 -0.038 0.000 2.889 193 T HA 0.336 4.686 4.350 -0.000 0.000 0.315 193 T C -1.153 173.501 174.700 -0.078 0.000 1.291 193 T CA -0.625 61.456 62.100 -0.032 0.000 1.028 193 T CB 0.672 69.548 68.868 0.014 0.000 1.235 193 T HN 0.023 nan 8.240 nan 0.000 0.491 194 V N 4.535 124.405 119.914 -0.075 0.000 2.555 194 V HA 0.313 4.433 4.120 -0.000 0.000 0.286 194 V C 0.543 176.556 176.094 -0.135 0.000 1.044 194 V CA -0.418 61.820 62.300 -0.103 0.000 1.026 194 V CB 0.680 32.466 31.823 -0.062 0.000 0.981 194 V HN 0.732 nan 8.190 nan 0.000 0.480 195 L N 5.927 127.032 121.223 -0.197 0.000 2.407 195 L HA 0.250 4.590 4.340 -0.000 0.000 0.282 195 L C 0.573 177.369 176.870 -0.123 0.000 1.110 195 L CA 0.303 54.962 54.840 -0.301 0.000 0.863 195 L CB -0.218 41.530 42.059 -0.518 0.000 1.207 195 L HN 0.692 nan 8.230 nan 0.000 0.454 196 E N 1.537 121.677 120.200 -0.101 0.000 2.248 196 E HA 0.145 4.495 4.350 -0.000 0.000 0.272 196 E C -0.661 175.949 176.600 0.017 0.000 1.008 196 E CA -0.906 55.470 56.400 -0.039 0.000 0.856 196 E CB 1.196 30.783 29.700 -0.189 0.000 1.120 196 E HN 0.396 nan 8.360 nan 0.000 0.397 197 D N 0.344 120.799 120.400 0.092 0.000 2.520 197 D HA 0.120 4.760 4.640 -0.000 0.000 0.243 197 D C 0.789 177.123 176.300 0.057 0.000 1.160 197 D CA 1.848 55.897 54.000 0.081 0.000 0.877 197 D CB 0.114 40.963 40.800 0.080 0.000 1.150 197 D HN 0.586 nan 8.370 nan 0.000 0.494 198 G N 3.441 112.305 108.800 0.106 0.000 2.284 198 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.201 198 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.201 198 G C -0.014 174.967 174.900 0.134 0.000 0.998 198 G CA -0.114 45.047 45.100 0.102 0.000 0.651 198 G HN 0.612 nan 8.290 nan 0.000 0.489 199 D N 2.025 122.511 120.400 0.143 0.000 2.399 199 D HA 0.392 5.032 4.640 -0.000 0.000 0.241 199 D C 1.181 177.677 176.300 0.326 0.000 1.133 199 D CA 0.248 54.344 54.000 0.160 0.000 0.890 199 D CB 0.513 41.332 40.800 0.033 0.000 1.201 199 D HN 0.072 nan 8.370 nan 0.000 0.432 200 M N 1.140 120.893 119.600 0.256 0.000 2.242 200 M HA 0.159 4.639 4.480 -0.000 0.000 0.344 200 M C 0.323 176.853 176.300 0.382 0.000 1.140 200 M CA -0.680 54.790 55.300 0.282 0.000 1.160 200 M CB 0.803 33.512 32.600 0.182 0.000 1.491 200 M HN 0.139 nan 8.290 nan 0.000 0.459 201 V N -0.996 119.061 119.914 0.238 0.000 3.262 201 V HA 0.422 4.542 4.120 -0.000 0.000 0.313 201 V C 0.057 176.266 176.094 0.192 0.000 1.070 201 V CA -1.178 61.245 62.300 0.206 0.000 1.049 201 V CB 0.850 32.657 31.823 -0.026 0.000 1.157 201 V HN 0.801 nan 8.190 nan 0.000 0.454 202 D N 1.392 121.925 120.400 0.223 0.000 2.434 202 D HA 0.087 4.727 4.640 -0.000 0.000 0.252 202 D C 1.130 177.444 176.300 0.024 0.000 1.185 202 D CA 0.834 54.919 54.000 0.141 0.000 0.886 202 D CB 1.186 42.045 40.800 0.099 0.000 1.148 202 D HN 0.972 nan 8.370 nan 0.000 0.483 203 T N 0.713 115.189 114.554 -0.129 0.000 3.105 203 T HA 0.394 4.744 4.350 -0.000 0.000 0.253 203 T C 1.267 175.819 174.700 -0.247 0.000 1.047 203 T CA 0.199 62.065 62.100 -0.390 0.000 0.944 203 T CB 0.020 68.080 68.868 -1.347 0.000 1.016 203 T HN 0.650 nan 8.240 nan 0.000 0.544 204 G N 0.554 109.292 108.800 -0.105 0.000 2.168 204 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.197 204 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.197 204 G C 0.117 174.903 174.900 -0.190 0.000 0.997 204 G CA -0.100 44.914 45.100 -0.143 0.000 0.658 204 G HN 0.541 nan 8.290 nan 0.000 0.513 205 Y N 1.038 121.352 120.300 0.024 0.000 2.636 205 Y HA 0.475 5.025 4.550 -0.000 0.000 0.260 205 Y C 1.438 177.480 175.900 0.237 0.000 1.177 205 Y CA 0.633 58.823 58.100 0.149 0.000 1.209 205 Y CB 1.116 39.686 38.460 0.183 0.000 1.166 205 Y HN 1.092 nan 8.280 nan 0.000 0.531 206 G N 0.677 109.627 108.800 0.250 0.000 2.675 206 G HA2 0.113 4.073 3.960 -0.000 0.000 0.686 206 G HA3 0.113 4.073 3.960 -0.000 0.000 0.686 206 G C -0.699 174.344 174.900 0.239 0.000 1.215 206 G CA -0.731 44.476 45.100 0.179 0.000 0.777 206 G HN 0.469 nan 8.290 nan 0.000 0.638 207 A N 2.014 124.967 122.820 0.221 0.000 2.666 207 A HA 0.739 5.059 4.320 -0.000 0.000 0.312 207 A C 0.696 178.461 177.584 0.302 0.000 1.471 207 A CA 0.990 53.195 52.037 0.281 0.000 1.134 207 A CB -0.724 18.448 19.000 0.287 0.000 1.129 207 A HN 1.934 nan 8.150 nan 0.000 0.539 208 M N -0.221 119.459 119.600 0.133 0.000 2.779 208 M HA 0.565 5.045 4.480 -0.000 0.000 0.277 208 M C -1.343 174.936 176.300 -0.036 0.000 1.284 208 M CA -0.884 54.443 55.300 0.043 0.000 0.801 208 M CB 1.408 33.875 32.600 -0.222 0.000 1.712 208 M HN 0.175 nan 8.290 nan 0.000 0.453 209 D N 0.714 121.140 120.400 0.043 0.000 2.564 209 D HA 0.331 4.971 4.640 -0.000 0.000 0.226 209 D C 0.062 176.370 176.300 0.014 0.000 1.149 209 D CA -0.300 53.748 54.000 0.079 0.000 0.994 209 D CB -0.302 40.605 40.800 0.178 0.000 1.029 209 D HN 0.540 nan 8.370 nan 0.000 0.517 210 F N 0.893 120.879 119.950 0.061 0.000 2.250 210 F HA -0.217 4.310 4.527 -0.000 0.000 0.301 210 F C 2.725 178.537 175.800 0.019 0.000 1.077 210 F CA 1.128 59.144 58.000 0.028 0.000 1.348 210 F CB -0.396 38.603 39.000 -0.001 0.000 1.040 210 F HN 0.329 nan 8.300 nan 0.000 0.509 211 S N -0.841 114.981 115.700 0.204 0.000 2.383 211 S HA -0.181 4.289 4.470 -0.000 0.000 0.227 211 S C 1.965 176.613 174.600 0.080 0.000 1.026 211 S CA 1.510 59.783 58.200 0.122 0.000 0.981 211 S CB -1.115 62.143 63.200 0.097 0.000 0.818 211 S HN 0.481 nan 8.310 nan 0.000 0.472 212 T N -1.903 112.693 114.554 0.071 0.000 3.037 212 T HA 0.346 4.696 4.350 -0.000 0.000 0.251 212 T C 1.301 176.018 174.700 0.028 0.000 1.079 212 T CA -0.078 62.050 62.100 0.047 0.000 1.067 212 T CB -0.108 68.791 68.868 0.050 0.000 0.948 212 T HN 0.229 nan 8.240 nan 0.000 0.496 213 L N 0.454 121.686 121.223 0.016 0.000 2.590 213 L HA 0.471 4.811 4.340 -0.000 0.000 0.227 213 L C 0.680 177.546 176.870 -0.006 0.000 1.099 213 L CA 0.707 55.538 54.840 -0.014 0.000 0.872 213 L CB -0.087 41.933 42.059 -0.065 0.000 1.088 213 L HN 0.332 nan 8.230 nan 0.000 0.479 214 Q N -0.535 119.282 119.800 0.028 0.000 2.464 214 Q HA 0.136 4.476 4.340 -0.000 0.000 0.256 214 Q C -0.089 175.923 176.000 0.020 0.000 1.020 214 Q CA -0.316 55.504 55.803 0.028 0.000 0.716 214 Q CB 1.342 30.126 28.738 0.078 0.000 1.230 214 Q HN 0.015 nan 8.270 nan 0.000 0.494 215 D N 0.377 120.777 120.400 -0.001 0.000 2.218 215 D HA -0.128 4.512 4.640 -0.000 0.000 0.204 215 D C 1.315 177.606 176.300 -0.015 0.000 0.976 215 D CA 1.422 55.419 54.000 -0.005 0.000 0.853 215 D CB 0.365 41.157 40.800 -0.013 0.000 0.939 215 D HN 0.405 nan 8.370 nan 0.000 0.481 216 T N 0.013 114.548 114.554 -0.031 0.000 2.770 216 T HA -0.080 4.270 4.350 -0.000 0.000 0.263 216 T C 0.858 175.530 174.700 -0.046 0.000 1.039 216 T CA 1.048 63.115 62.100 -0.054 0.000 1.142 216 T CB 0.079 68.894 68.868 -0.088 0.000 0.868 216 T HN 0.178 nan 8.240 nan 0.000 0.435 217 K N -1.276 119.100 120.400 -0.040 0.000 3.399 217 K HA -0.125 4.195 4.320 -0.000 0.000 0.298 217 K C -0.250 176.290 176.600 -0.100 0.000 1.326 217 K CA 0.426 56.712 56.287 -0.001 0.000 0.874 217 K CB -2.358 30.177 32.500 0.058 0.000 1.403 217 K HN 0.430 nan 8.250 nan 0.000 0.492 218 C N -0.027 119.120 119.300 -0.255 0.000 3.543 218 C HA 0.155 4.615 4.460 -0.000 0.000 0.281 218 C C 1.277 175.926 174.990 -0.569 0.000 2.362 218 C CA -0.769 57.904 59.018 -0.575 0.000 1.649 218 C CB 0.048 27.532 27.740 -0.426 0.000 3.429 218 C HN 0.307 nan 8.230 nan 0.000 0.407 219 E N 1.378 121.329 120.200 -0.415 0.000 2.400 219 E HA 0.130 4.480 4.350 -0.000 0.000 0.195 219 E C 0.792 177.034 176.600 -0.597 0.000 1.012 219 E CA 0.824 56.948 56.400 -0.459 0.000 0.875 219 E CB 0.715 30.303 29.700 -0.187 0.000 0.859 219 E HN 0.659 nan 8.360 nan 0.000 0.498 220 V N -2.607 117.002 119.914 -0.507 0.000 3.181 220 V HA 0.565 4.685 4.120 -0.000 0.000 0.308 220 V C -3.018 172.959 176.094 -0.195 0.000 1.214 220 V CA -3.006 58.981 62.300 -0.522 0.000 1.053 220 V CB 1.799 33.099 31.823 -0.873 0.000 1.069 220 V HN -0.290 nan 8.190 nan 0.000 0.441 221 P HA 0.188 nan 4.420 nan 0.000 0.268 221 P C 0.695 178.006 177.300 0.020 0.000 1.208 221 P CA -0.128 63.003 63.100 0.052 0.000 0.777 221 P CB 0.375 32.100 31.700 0.041 0.000 0.875 222 L N 2.127 123.349 121.223 -0.002 0.000 2.263 222 L HA -0.200 4.140 4.340 -0.000 0.000 0.216 222 L C 1.479 178.371 176.870 0.037 0.000 1.111 222 L CA 1.986 56.825 54.840 -0.001 0.000 0.773 222 L CB -1.298 40.693 42.059 -0.113 0.000 0.906 222 L HN 0.453 nan 8.230 nan 0.000 0.439 223 D N -1.618 118.777 120.400 -0.009 0.000 2.349 223 D HA -0.087 4.553 4.640 -0.000 0.000 0.215 223 D C 1.618 177.957 176.300 0.064 0.000 1.016 223 D CA 0.832 54.883 54.000 0.087 0.000 0.870 223 D CB -0.207 40.687 40.800 0.157 0.000 0.917 223 D HN 0.563 nan 8.370 nan 0.000 0.524 224 I N -3.196 117.349 120.570 -0.042 0.000 4.439 224 I HA 0.262 4.432 4.170 -0.000 0.000 0.331 224 I C 1.934 177.933 176.117 -0.196 0.000 1.345 224 I CA -0.611 60.604 61.300 -0.143 0.000 1.193 224 I CB 0.099 37.877 38.000 -0.372 0.000 1.221 224 I HN 0.013 nan 8.210 nan 0.000 0.429 225 C N 1.978 121.202 119.300 -0.128 0.000 2.391 225 C HA -0.146 4.314 4.460 -0.000 0.000 0.276 225 C C 1.904 176.915 174.990 0.035 0.000 1.217 225 C CA 1.518 60.498 59.018 -0.063 0.000 1.766 225 C CB -0.783 26.997 27.740 0.067 0.000 2.046 225 C HN 0.658 nan 8.230 nan 0.000 0.475 226 Q N 0.955 120.793 119.800 0.063 0.000 2.182 226 Q HA 0.337 4.677 4.340 -0.000 0.000 0.305 226 Q C -0.118 175.940 176.000 0.096 0.000 0.880 226 Q CA 0.102 55.959 55.803 0.089 0.000 1.131 226 Q CB 0.945 29.728 28.738 0.074 0.000 1.237 226 Q HN 0.811 nan 8.270 nan 0.000 0.447 227 S N -0.604 115.164 115.700 0.113 0.000 2.806 227 S HA 0.663 5.133 4.470 -0.000 0.000 0.306 227 S C -0.132 174.569 174.600 0.168 0.000 1.167 227 S CA -0.732 57.535 58.200 0.111 0.000 0.847 227 S CB 1.593 64.848 63.200 0.093 0.000 1.216 227 S HN 0.179 nan 8.310 nan 0.000 0.532 228 I N 0.923 121.552 120.570 0.098 0.000 2.406 228 I HA 0.350 4.520 4.170 -0.000 0.000 0.290 228 I C -0.944 175.230 176.117 0.096 0.000 0.999 228 I CA -0.534 60.799 61.300 0.056 0.000 1.124 228 I CB 1.335 39.230 38.000 -0.175 0.000 1.289 228 I HN 0.520 nan 8.210 nan 0.000 0.441 229 C N 6.471 125.906 119.300 0.224 0.000 2.285 229 C HA 0.404 4.864 4.460 -0.000 0.000 0.335 229 C C 0.403 175.525 174.990 0.220 0.000 1.267 229 C CA -0.703 58.469 59.018 0.257 0.000 1.762 229 C CB -0.174 27.777 27.740 0.351 0.000 2.365 229 C HN 0.684 nan 8.230 nan 0.000 0.527 230 K N 2.035 122.584 120.400 0.249 0.000 2.238 230 K HA 0.602 4.922 4.320 -0.000 0.000 0.239 230 K C -1.349 175.506 176.600 0.424 0.000 0.987 230 K CA -0.647 55.779 56.287 0.231 0.000 0.857 230 K CB 2.046 34.568 32.500 0.037 0.000 1.154 230 K HN 0.609 nan 8.250 nan 0.000 0.439 231 Y N 1.107 121.508 120.300 0.169 0.000 2.442 231 Y HA 0.332 4.882 4.550 -0.000 0.000 0.344 231 Y C -2.767 173.158 175.900 0.042 0.000 0.976 231 Y CA -2.561 55.653 58.100 0.189 0.000 1.040 231 Y CB 1.847 40.410 38.460 0.172 0.000 1.228 231 Y HN 0.382 nan 8.280 nan 0.000 0.451 232 P HA 0.024 nan 4.420 nan 0.000 0.268 232 P C -0.858 175.983 177.300 -0.766 0.000 1.205 232 P CA 0.223 62.899 63.100 -0.707 0.000 0.771 232 P CB 0.561 31.595 31.700 -1.111 0.000 0.858 233 D N 2.291 122.418 120.400 -0.454 0.000 2.563 233 D HA 0.054 4.694 4.640 -0.000 0.000 0.222 233 D C 0.537 176.700 176.300 -0.229 0.000 1.145 233 D CA -0.134 53.717 54.000 -0.248 0.000 1.001 233 D CB -0.458 40.258 40.800 -0.141 0.000 1.049 233 D HN 0.308 nan 8.370 nan 0.000 0.515 234 Y N 1.018 121.261 120.300 -0.095 0.000 2.207 234 Y HA -0.186 4.364 4.550 -0.000 0.000 0.287 234 Y C 2.219 178.103 175.900 -0.027 0.000 1.156 234 Y CA 0.738 58.797 58.100 -0.068 0.000 1.182 234 Y CB -0.000 38.419 38.460 -0.068 0.000 0.979 234 Y HN 0.311 nan 8.280 nan 0.000 0.521 235 L N -0.356 120.953 121.223 0.144 0.000 2.017 235 L HA -0.248 4.092 4.340 -0.000 0.000 0.208 235 L C 2.622 179.521 176.870 0.047 0.000 1.073 235 L CA 1.758 56.651 54.840 0.090 0.000 0.745 235 L CB -0.548 41.560 42.059 0.081 0.000 0.894 235 L HN 0.236 nan 8.230 nan 0.000 0.432 236 Q N 0.123 119.933 119.800 0.017 0.000 2.119 236 Q HA -0.175 4.165 4.340 -0.000 0.000 0.201 236 Q C 2.097 178.094 176.000 -0.004 0.000 0.972 236 Q CA 1.660 57.461 55.803 -0.005 0.000 0.847 236 Q CB -0.219 28.500 28.738 -0.033 0.000 0.903 236 Q HN 0.412 nan 8.270 nan 0.000 0.433 237 M N -0.259 119.333 119.600 -0.012 0.000 2.319 237 M HA -0.036 4.443 4.480 -0.000 0.000 0.265 237 M C 1.908 178.226 176.300 0.030 0.000 1.068 237 M CA 1.221 56.518 55.300 -0.004 0.000 1.118 237 M CB 0.110 32.692 32.600 -0.031 0.000 1.395 237 M HN 0.170 nan 8.290 nan 0.000 0.435 238 S N 0.410 116.136 115.700 0.044 0.000 2.461 238 S HA 0.048 4.518 4.470 -0.000 0.000 0.228 238 S C 1.983 176.603 174.600 0.033 0.000 1.005 238 S CA 0.994 59.221 58.200 0.045 0.000 0.942 238 S CB -0.099 63.130 63.200 0.048 0.000 0.776 238 S HN 0.532 nan 8.310 nan 0.000 0.514 239 A N 1.325 124.163 122.820 0.030 0.000 1.935 239 A HA 0.085 4.405 4.320 -0.000 0.000 0.214 239 A C 0.809 178.410 177.584 0.028 0.000 1.178 239 A CA 0.200 52.252 52.037 0.025 0.000 0.640 239 A CB -0.548 18.465 19.000 0.020 0.000 0.825 239 A HN 0.422 nan 8.150 nan 0.000 0.447 240 D N 0.667 121.088 120.400 0.034 0.000 2.923 240 D HA -0.049 4.591 4.640 -0.000 0.000 0.220 240 D C -0.830 175.506 176.300 0.060 0.000 1.099 240 D CA -0.044 53.986 54.000 0.050 0.000 0.807 240 D CB 0.829 41.670 40.800 0.069 0.000 1.155 240 D HN 0.212 nan 8.370 nan 0.000 0.524 241 P HA -0.191 nan 4.420 nan 0.000 0.216 241 P C 0.940 178.233 177.300 -0.012 0.000 1.153 241 P CA 1.367 64.435 63.100 -0.053 0.000 0.844 241 P CB 0.020 31.579 31.700 -0.235 0.000 0.787 242 Y N 0.255 120.674 120.300 0.198 0.000 2.206 242 Y HA 0.160 4.710 4.550 -0.000 0.000 0.292 242 Y C 2.009 178.084 175.900 0.293 0.000 1.123 242 Y CA 1.324 59.570 58.100 0.244 0.000 1.142 242 Y CB -0.643 37.910 38.460 0.155 0.000 1.006 242 Y HN 0.081 nan 8.280 nan 0.000 0.518 243 G N -0.069 108.943 108.800 0.353 0.000 2.140 243 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.211 243 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.211 243 G C 0.127 175.189 174.900 0.270 0.000 1.013 243 G CA 0.349 45.612 45.100 0.272 0.000 0.705 243 G HN 0.347 nan 8.290 nan 0.000 0.508 244 D N 0.115 120.659 120.400 0.241 0.000 2.350 244 D HA 0.151 4.791 4.640 -0.000 0.000 0.213 244 D C 2.263 178.543 176.300 -0.033 0.000 1.031 244 D CA 0.988 55.095 54.000 0.178 0.000 0.861 244 D CB 0.211 41.155 40.800 0.240 0.000 0.926 244 D HN 0.382 nan 8.370 nan 0.000 0.520 245 S N 0.289 115.969 115.700 -0.034 0.000 2.377 245 S HA 0.025 4.495 4.470 -0.000 0.000 0.223 245 S C 1.047 175.540 174.600 -0.178 0.000 1.030 245 S CA 0.491 58.619 58.200 -0.120 0.000 0.970 245 S CB 0.043 63.200 63.200 -0.071 0.000 0.830 245 S HN 0.382 nan 8.310 nan 0.000 0.473 246 M N -0.110 119.414 119.600 -0.126 0.000 2.234 246 M HA 0.488 4.968 4.480 -0.000 0.000 0.267 246 M C -1.317 175.012 176.300 0.049 0.000 1.022 246 M CA -0.739 54.493 55.300 -0.113 0.000 0.993 246 M CB 1.094 33.687 32.600 -0.012 0.000 1.836 246 M HN 0.025 nan 8.290 nan 0.000 0.479 247 F N 1.373 121.427 119.950 0.174 0.000 2.735 247 F HA 0.736 5.263 4.527 -0.000 0.000 0.304 247 F C -1.117 174.845 175.800 0.270 0.000 1.119 247 F CA -1.596 56.512 58.000 0.180 0.000 1.280 247 F CB -0.151 38.948 39.000 0.165 0.000 0.994 247 F HN 0.539 nan 8.300 nan 0.000 0.520 248 F N 1.579 121.727 119.950 0.329 0.000 2.652 248 F HA 0.508 5.035 4.527 -0.000 0.000 0.320 248 F C -1.889 173.985 175.800 0.124 0.000 1.115 248 F CA -1.607 56.522 58.000 0.215 0.000 1.053 248 F CB 0.813 39.975 39.000 0.270 0.000 1.297 248 F HN 0.197 nan 8.300 nan 0.000 0.471 249 C N 7.677 126.708 119.300 -0.449 0.000 2.782 249 C HA 0.893 5.352 4.460 -0.000 0.000 0.328 249 C C -2.365 172.349 174.990 -0.460 0.000 1.145 249 C CA -0.575 58.291 59.018 -0.252 0.000 1.358 249 C CB 0.797 28.507 27.740 -0.049 0.000 1.841 249 C HN 0.800 nan 8.230 nan 0.000 0.477 250 L N 6.105 127.136 121.223 -0.319 0.000 2.446 250 L HA 0.686 5.026 4.340 -0.000 0.000 0.268 250 L C -0.061 176.718 176.870 -0.151 0.000 0.975 250 L CA -0.057 54.598 54.840 -0.308 0.000 0.848 250 L CB 1.576 43.401 42.059 -0.390 0.000 1.225 250 L HN 0.922 nan 8.230 nan 0.000 0.410 251 R N 2.332 122.741 120.500 -0.151 0.000 2.803 251 R HA 0.979 5.319 4.340 -0.000 0.000 0.276 251 R C -0.776 175.480 176.300 -0.073 0.000 0.978 251 R CA -1.135 54.918 56.100 -0.079 0.000 0.939 251 R CB 2.236 32.475 30.300 -0.101 0.000 1.179 251 R HN 0.353 nan 8.270 nan 0.000 0.472 252 R N 1.022 121.508 120.500 -0.023 0.000 2.585 252 R HA 0.169 4.509 4.340 -0.000 0.000 0.288 252 R C -1.663 174.656 176.300 0.033 0.000 1.194 252 R CA -0.290 55.799 56.100 -0.017 0.000 1.006 252 R CB 1.272 31.538 30.300 -0.056 0.000 1.229 252 R HN 0.967 nan 8.270 nan 0.000 0.412 253 E N 3.631 123.863 120.200 0.053 0.000 2.369 253 E HA 0.550 4.899 4.350 -0.000 0.000 0.270 253 E C -1.413 175.228 176.600 0.069 0.000 0.909 253 E CA -1.113 55.337 56.400 0.084 0.000 0.775 253 E CB 2.720 32.493 29.700 0.122 0.000 1.270 253 E HN 0.603 nan 8.360 nan 0.000 0.445 254 Q N 0.874 120.722 119.800 0.080 0.000 2.545 254 Q HA 0.579 4.919 4.340 -0.000 0.000 0.273 254 Q C -1.274 174.785 176.000 0.098 0.000 0.975 254 Q CA -1.169 54.683 55.803 0.082 0.000 0.876 254 Q CB 1.706 30.493 28.738 0.081 0.000 1.472 254 Q HN 0.580 nan 8.270 nan 0.000 0.389 255 L N -1.309 119.980 121.223 0.110 0.000 2.999 255 L HA 0.876 5.216 4.340 -0.000 0.000 0.274 255 L C -1.747 175.239 176.870 0.193 0.000 1.044 255 L CA -0.969 53.934 54.840 0.105 0.000 0.943 255 L CB 0.671 42.738 42.059 0.014 0.000 1.522 255 L HN 1.011 nan 8.230 nan 0.000 0.400 256 F N -0.918 119.030 119.950 -0.003 0.000 2.686 256 F HA 0.937 5.464 4.527 -0.000 0.000 0.311 256 F C -0.576 175.215 175.800 -0.014 0.000 1.128 256 F CA -0.718 57.275 58.000 -0.012 0.000 0.946 256 F CB 1.141 40.135 39.000 -0.010 0.000 1.336 256 F HN 0.926 nan 8.300 nan 0.000 0.457 257 A N 2.769 125.714 122.820 0.209 0.000 2.395 257 A HA 0.506 4.826 4.320 -0.000 0.000 0.286 257 A C 0.958 178.629 177.584 0.146 0.000 1.193 257 A CA -0.175 51.922 52.037 0.100 0.000 0.852 257 A CB 0.368 19.498 19.000 0.217 0.000 1.118 257 A HN 0.952 nan 8.150 nan 0.000 0.524 258 R N 2.130 122.517 120.500 -0.188 0.000 2.048 258 R HA 0.108 4.448 4.340 -0.000 0.000 0.224 258 R C -0.076 175.982 176.300 -0.404 0.000 1.163 258 R CA 1.482 57.472 56.100 -0.183 0.000 0.956 258 R CB -0.208 29.946 30.300 -0.243 0.000 0.849 258 R HN 0.834 nan 8.270 nan 0.000 0.435 259 H N -1.802 117.043 119.070 -0.376 0.000 2.731 259 H HA 0.406 4.962 4.556 -0.000 0.000 0.368 259 H C -1.174 173.858 175.328 -0.492 0.000 1.168 259 H CA -0.614 55.049 56.048 -0.641 0.000 1.181 259 H CB 1.582 30.797 29.762 -0.913 0.000 1.743 259 H HN 0.034 nan 8.280 nan 0.000 0.547 260 F N 1.796 121.452 119.950 -0.489 0.000 2.426 260 F HA 0.277 4.804 4.527 -0.000 0.000 0.348 260 F C -0.674 175.027 175.800 -0.166 0.000 1.124 260 F CA -0.823 57.011 58.000 -0.277 0.000 1.008 260 F CB 1.293 40.217 39.000 -0.126 0.000 1.139 260 F HN 0.203 nan 8.300 nan 0.000 0.452 261 W N 1.644 123.173 121.300 0.382 0.000 2.902 261 W HA 0.327 4.987 4.660 -0.000 0.000 0.346 261 W C -0.488 176.212 176.519 0.301 0.000 1.139 261 W CA -1.270 56.261 57.345 0.309 0.000 1.139 261 W CB 1.383 31.013 29.460 0.284 0.000 1.439 261 W HN 0.438 nan 8.180 nan 0.000 0.558 262 N N 0.714 119.706 118.700 0.487 0.000 2.434 262 N HA 0.399 5.139 4.740 -0.000 0.000 0.266 262 N C -0.390 175.204 175.510 0.140 0.000 1.223 262 N CA -0.512 52.676 53.050 0.231 0.000 0.972 262 N CB 0.834 39.416 38.487 0.158 0.000 1.207 262 N HN -0.070 nan 8.380 nan 0.000 0.525 263 R N 0.838 121.345 120.500 0.011 0.000 2.599 263 R HA 0.473 4.813 4.340 -0.000 0.000 0.295 263 R C -0.894 175.380 176.300 -0.043 0.000 0.963 263 R CA -0.634 55.459 56.100 -0.012 0.000 0.883 263 R CB 1.575 31.855 30.300 -0.033 0.000 1.171 263 R HN 0.590 nan 8.270 nan 0.000 0.450 264 A N 0.956 123.747 122.820 -0.049 0.000 2.304 264 A HA 0.785 5.105 4.320 -0.000 0.000 0.271 264 A C 0.394 177.944 177.584 -0.057 0.000 1.091 264 A CA 0.465 52.473 52.037 -0.049 0.000 0.812 264 A CB 0.619 19.591 19.000 -0.046 0.000 1.056 264 A HN 0.846 nan 8.150 nan 0.000 0.489 265 G N -0.795 107.974 108.800 -0.051 0.000 2.371 265 G HA2 0.455 4.415 3.960 -0.000 0.000 0.663 265 G HA3 0.455 4.415 3.960 -0.000 0.000 0.663 265 G C -0.249 174.622 174.900 -0.049 0.000 1.311 265 G CA -0.083 44.986 45.100 -0.051 0.000 0.985 265 G HN 2.004 nan 8.290 nan 0.000 0.566 266 T N -0.982 113.546 114.554 -0.044 0.000 2.909 266 T HA 0.630 4.980 4.350 -0.000 0.000 0.286 266 T C 0.837 175.510 174.700 -0.045 0.000 1.002 266 T CA -0.743 61.333 62.100 -0.040 0.000 1.074 266 T CB 1.152 70.001 68.868 -0.031 0.000 0.984 266 T HN 0.664 nan 8.240 nan 0.000 0.495 267 M N 3.224 122.796 119.600 -0.046 0.000 2.227 267 M HA 0.220 4.700 4.480 -0.000 0.000 0.349 267 M C 1.653 177.932 176.300 -0.035 0.000 1.443 267 M CA -0.354 54.916 55.300 -0.048 0.000 1.110 267 M CB -0.013 32.554 32.600 -0.056 0.000 1.773 267 M HN 1.073 nan 8.290 nan 0.000 0.463 268 G N 3.583 112.360 108.800 -0.037 0.000 2.484 268 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.215 268 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.215 268 G C 0.160 175.046 174.900 -0.024 0.000 1.219 268 G CA 0.352 45.434 45.100 -0.030 0.000 0.791 268 G HN 0.630 nan 8.290 nan 0.000 0.550 269 D N 1.249 121.634 120.400 -0.026 0.000 2.317 269 D HA 0.360 5.000 4.640 -0.000 0.000 0.252 269 D C -0.086 176.207 176.300 -0.011 0.000 1.174 269 D CA 0.196 54.186 54.000 -0.017 0.000 0.866 269 D CB 1.234 42.023 40.800 -0.019 0.000 1.127 269 D HN 0.002 nan 8.370 nan 0.000 0.467 270 T N 0.921 115.476 114.554 0.001 0.000 2.780 270 T HA 0.198 4.548 4.350 -0.000 0.000 0.294 270 T C 0.710 175.430 174.700 0.033 0.000 0.949 270 T CA -0.775 61.333 62.100 0.013 0.000 1.074 270 T CB 0.927 69.807 68.868 0.020 0.000 0.910 270 T HN 0.042 nan 8.240 nan 0.000 0.501 271 V N 6.375 126.313 119.914 0.041 0.000 2.475 271 V HA 0.055 4.175 4.120 -0.000 0.000 0.292 271 V C -1.704 174.481 176.094 0.152 0.000 1.003 271 V CA -1.297 61.048 62.300 0.076 0.000 1.120 271 V CB -0.838 31.006 31.823 0.036 0.000 0.937 271 V HN 0.753 nan 8.190 nan 0.000 0.476 272 P HA -0.040 nan 4.420 nan 0.000 0.263 272 P C 0.794 178.170 177.300 0.127 0.000 1.168 272 P CA 0.263 63.424 63.100 0.102 0.000 0.759 272 P CB 0.390 32.132 31.700 0.070 0.000 0.782 273 Q N 1.455 121.263 119.800 0.013 0.000 2.369 273 Q HA -0.084 4.256 4.340 -0.000 0.000 0.206 273 Q C 1.473 177.326 176.000 -0.244 0.000 0.963 273 Q CA 1.430 57.123 55.803 -0.183 0.000 0.894 273 Q CB -0.179 28.471 28.738 -0.146 0.000 0.965 273 Q HN 0.587 nan 8.270 nan 0.000 0.475 274 S N -0.940 114.708 115.700 -0.086 0.000 2.603 274 S HA 0.094 4.564 4.470 -0.000 0.000 0.220 274 S C 1.469 176.060 174.600 -0.015 0.000 0.967 274 S CA 0.040 58.202 58.200 -0.063 0.000 0.920 274 S CB -0.095 63.090 63.200 -0.026 0.000 0.773 274 S HN 0.274 nan 8.310 nan 0.000 0.529 275 L N 0.208 121.463 121.223 0.053 0.000 2.693 275 L HA 0.425 4.765 4.340 -0.000 0.000 0.235 275 L C 0.261 177.293 176.870 0.270 0.000 1.127 275 L CA -0.411 54.519 54.840 0.151 0.000 0.914 275 L CB -0.242 41.919 42.059 0.170 0.000 1.193 275 L HN 0.591 nan 8.230 nan 0.000 0.502 276 Y N -2.996 117.313 120.300 0.015 0.000 2.905 276 Y HA 0.653 5.203 4.550 -0.000 0.000 0.322 276 Y C -1.108 174.801 175.900 0.013 0.000 1.455 276 Y CA -1.514 56.596 58.100 0.016 0.000 1.083 276 Y CB 1.221 39.694 38.460 0.022 0.000 1.473 276 Y HN -0.314 nan 8.280 nan 0.000 0.449 277 I N 2.235 122.890 120.570 0.141 0.000 2.466 277 I HA 0.334 4.504 4.170 -0.000 0.000 0.289 277 I C -0.786 175.408 176.117 0.129 0.000 1.026 277 I CA -1.010 60.301 61.300 0.020 0.000 1.078 277 I CB 2.073 40.098 38.000 0.042 0.000 1.249 277 I HN 0.565 nan 8.210 nan 0.000 0.429 278 K N 3.318 123.747 120.400 0.047 0.000 2.319 278 K HA 0.343 4.663 4.320 -0.000 0.000 0.265 278 K C 0.467 177.132 176.600 0.109 0.000 1.000 278 K CA -0.087 56.285 56.287 0.142 0.000 0.943 278 K CB 0.931 33.475 32.500 0.074 0.000 0.950 278 K HN 0.787 nan 8.250 nan 0.000 0.485 279 G N 0.145 109.013 108.800 0.112 0.000 2.857 279 G HA2 0.447 4.407 3.960 -0.000 0.000 0.217 279 G HA3 0.447 4.407 3.960 -0.000 0.000 0.217 279 G C -0.781 174.152 174.900 0.053 0.000 1.357 279 G CA -0.475 44.667 45.100 0.071 0.000 1.033 279 G HN 0.596 nan 8.290 nan 0.000 0.571 280 T N -3.488 111.090 114.554 0.041 0.000 2.908 280 T HA 0.671 5.021 4.350 -0.000 0.000 0.290 280 T C 0.813 175.531 174.700 0.029 0.000 1.034 280 T CA 0.602 62.722 62.100 0.033 0.000 1.010 280 T CB 1.358 70.242 68.868 0.026 0.000 1.068 280 T HN 2.325 nan 8.240 nan 0.000 0.481 281 G N 2.692 111.507 108.800 0.025 0.000 2.556 281 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.283 281 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.283 281 G C 0.953 175.867 174.900 0.023 0.000 1.177 281 G CA 0.824 45.937 45.100 0.021 0.000 0.978 281 G HN 1.460 nan 8.290 nan 0.000 0.554 282 M N -0.558 119.054 119.600 0.020 0.000 2.460 282 M HA 0.267 4.747 4.480 -0.000 0.000 0.263 282 M C 2.097 178.409 176.300 0.019 0.000 1.071 282 M CA 2.177 57.488 55.300 0.018 0.000 1.096 282 M CB -0.123 32.487 32.600 0.016 0.000 1.408 282 M HN 0.321 nan 8.290 nan 0.000 0.463 283 R N 0.569 121.085 120.500 0.026 0.000 2.320 283 R HA 0.278 4.618 4.340 -0.000 0.000 0.211 283 R C 1.699 178.029 176.300 0.051 0.000 0.931 283 R CA 0.425 56.544 56.100 0.032 0.000 1.071 283 R CB 0.048 30.369 30.300 0.036 0.000 1.025 283 R HN 0.552 nan 8.270 nan 0.000 0.495 284 A N -0.414 122.436 122.820 0.050 0.000 2.132 284 A HA 0.083 4.403 4.320 -0.000 0.000 0.213 284 A C 0.693 178.333 177.584 0.093 0.000 1.154 284 A CA 0.388 52.468 52.037 0.070 0.000 0.753 284 A CB 0.456 19.486 19.000 0.050 0.000 0.826 284 A HN 0.123 nan 8.150 nan 0.000 0.469 285 S N 0.760 116.494 115.700 0.056 0.000 2.575 285 S HA 0.550 5.020 4.470 -0.000 0.000 0.278 285 S C -3.114 171.469 174.600 -0.028 0.000 1.139 285 S CA -1.443 56.784 58.200 0.046 0.000 0.954 285 S CB 1.409 64.631 63.200 0.037 0.000 1.054 285 S HN 0.159 nan 8.310 nan 0.000 0.483 286 P HA 0.241 nan 4.420 nan 0.000 0.266 286 P C 0.578 177.819 177.300 -0.100 0.000 1.195 286 P CA -0.056 62.929 63.100 -0.191 0.000 0.768 286 P CB 0.350 31.837 31.700 -0.355 0.000 0.838 287 G N 1.443 110.197 108.800 -0.076 0.000 2.582 287 G HA2 0.209 4.169 3.960 -0.000 0.000 0.232 287 G HA3 0.209 4.169 3.960 -0.000 0.000 0.232 287 G C -0.228 174.621 174.900 -0.084 0.000 1.458 287 G CA -0.412 44.655 45.100 -0.054 0.000 1.062 287 G HN 0.606 nan 8.290 nan 0.000 0.566 288 S N -2.136 113.509 115.700 -0.091 0.000 2.564 288 S HA 0.216 4.686 4.470 -0.000 0.000 0.278 288 S C 0.184 174.600 174.600 -0.306 0.000 1.333 288 S CA -0.508 57.595 58.200 -0.163 0.000 1.048 288 S CB 0.305 63.421 63.200 -0.140 0.000 0.900 288 S HN 0.504 nan 8.310 nan 0.000 0.505 289 C N 4.984 124.052 119.300 -0.387 0.000 2.994 289 C HA 0.381 4.841 4.460 -0.000 0.000 0.250 289 C C -0.522 174.104 174.990 -0.608 0.000 1.814 289 C CA -0.564 58.107 59.018 -0.578 0.000 1.730 289 C CB -0.917 26.708 27.740 -0.192 0.000 3.258 289 C HN 0.659 nan 8.230 nan 0.000 0.472 290 V N 1.783 121.360 119.914 -0.561 0.000 2.334 290 V HA 0.435 4.555 4.120 -0.000 0.000 0.281 290 V C -0.722 175.176 176.094 -0.327 0.000 1.016 290 V CA -0.315 61.804 62.300 -0.301 0.000 0.832 290 V CB 0.420 32.153 31.823 -0.151 0.000 0.999 290 V HN 0.431 nan 8.190 nan 0.000 0.439 291 Y N 2.301 122.623 120.300 0.036 0.000 2.528 291 Y HA 0.753 5.302 4.550 -0.000 0.000 0.335 291 Y C 0.562 176.508 175.900 0.076 0.000 1.093 291 Y CA -0.637 57.503 58.100 0.067 0.000 1.134 291 Y CB 2.320 40.792 38.460 0.021 0.000 1.253 291 Y HN 0.650 nan 8.280 nan 0.000 0.478 292 S N 1.741 117.627 115.700 0.311 0.000 2.562 292 S HA 0.556 5.026 4.470 -0.000 0.000 0.274 292 S C -3.457 171.289 174.600 0.244 0.000 1.160 292 S CA -1.396 56.942 58.200 0.229 0.000 0.933 292 S CB 2.423 65.782 63.200 0.266 0.000 1.100 292 S HN 0.365 nan 8.310 nan 0.000 0.468 293 P HA 0.422 nan 4.420 nan 0.000 0.287 293 P C -0.343 176.926 177.300 -0.052 0.000 1.270 293 P CA -0.522 62.584 63.100 0.010 0.000 0.844 293 P CB 1.519 33.178 31.700 -0.068 0.000 1.068 294 S N 2.699 118.313 115.700 -0.143 0.000 2.481 294 S HA 0.319 4.789 4.470 -0.000 0.000 0.276 294 S C -1.854 172.622 174.600 -0.206 0.000 1.247 294 S CA -1.049 57.094 58.200 -0.095 0.000 1.053 294 S CB -0.263 62.839 63.200 -0.164 0.000 0.925 294 S HN 0.354 nan 8.310 nan 0.000 0.491 295 P HA 0.352 nan 4.420 nan 0.000 0.274 295 P C -0.496 176.624 177.300 -0.299 0.000 1.256 295 P CA -0.477 62.455 63.100 -0.281 0.000 0.795 295 P CB 1.133 32.675 31.700 -0.264 0.000 1.038 296 S N -0.821 114.626 115.700 -0.421 0.000 2.602 296 S HA 0.523 4.993 4.470 -0.000 0.000 0.301 296 S C -0.808 173.572 174.600 -0.366 0.000 1.091 296 S CA -0.586 57.347 58.200 -0.445 0.000 0.895 296 S CB 0.110 62.841 63.200 -0.783 0.000 1.090 296 S HN 0.684 nan 8.310 nan 0.000 0.449 297 G N 1.984 110.750 108.800 -0.057 0.000 2.389 297 G HA2 0.586 4.545 3.960 -0.000 0.000 0.328 297 G HA3 0.586 4.545 3.960 -0.000 0.000 0.328 297 G C 0.390 175.404 174.900 0.189 0.000 1.133 297 G CA -0.080 45.078 45.100 0.096 0.000 0.891 297 G HN 0.772 nan 8.290 nan 0.000 0.485 298 S N 0.365 116.233 115.700 0.280 0.000 2.792 298 S HA 0.350 4.820 4.470 -0.000 0.000 0.177 298 S C 0.959 175.658 174.600 0.166 0.000 1.171 298 S CA -0.530 57.858 58.200 0.313 0.000 1.839 298 S CB -0.319 63.016 63.200 0.225 0.000 0.559 298 S HN 0.403 nan 8.310 nan 0.000 0.458 299 I N 1.625 122.261 120.570 0.109 0.000 2.575 299 I HA 0.278 4.448 4.170 -0.000 0.000 0.285 299 I C -0.177 175.981 176.117 0.067 0.000 1.085 299 I CA -0.241 61.103 61.300 0.074 0.000 1.403 299 I CB 1.404 39.431 38.000 0.045 0.000 1.409 299 I HN 0.177 nan 8.210 nan 0.000 0.557 300 V N 5.836 125.785 119.914 0.059 0.000 2.398 300 V HA 0.585 4.705 4.120 -0.000 0.000 0.286 300 V C -0.198 175.917 176.094 0.035 0.000 1.026 300 V CA 0.114 62.444 62.300 0.051 0.000 0.868 300 V CB 1.686 33.543 31.823 0.056 0.000 0.982 300 V HN 0.881 nan 8.190 nan 0.000 0.443 301 T N 2.766 117.335 114.554 0.026 0.000 2.906 301 T HA 0.386 4.736 4.350 -0.000 0.000 0.295 301 T C 1.010 175.716 174.700 0.009 0.000 1.075 301 T CA 0.107 62.217 62.100 0.016 0.000 1.005 301 T CB 1.852 70.727 68.868 0.012 0.000 1.136 301 T HN 1.088 nan 8.240 nan 0.000 0.498 302 S N 1.731 117.435 115.700 0.006 0.000 2.547 302 S HA -0.032 4.438 4.470 -0.000 0.000 0.235 302 S C 1.060 175.657 174.600 -0.005 0.000 0.980 302 S CA 0.530 58.731 58.200 0.001 0.000 0.941 302 S CB -0.299 62.901 63.200 0.000 0.000 0.763 302 S HN 0.753 nan 8.310 nan 0.000 0.532 303 D N 2.615 123.013 120.400 -0.004 0.000 2.149 303 D HA -0.045 4.595 4.640 -0.000 0.000 0.201 303 D C 1.794 178.087 176.300 -0.011 0.000 0.972 303 D CA 1.570 55.566 54.000 -0.007 0.000 0.835 303 D CB -0.319 40.478 40.800 -0.005 0.000 0.966 303 D HN 0.667 nan 8.370 nan 0.000 0.476 304 S N -0.082 115.611 115.700 -0.012 0.000 2.660 304 S HA 0.088 4.558 4.470 -0.000 0.000 0.227 304 S C 0.679 175.253 174.600 -0.042 0.000 0.948 304 S CA -0.468 57.719 58.200 -0.021 0.000 0.948 304 S CB 0.269 63.461 63.200 -0.012 0.000 0.779 304 S HN -0.073 nan 8.310 nan 0.000 0.487 305 Q N 1.024 120.800 119.800 -0.039 0.000 2.332 305 Q HA 0.416 4.756 4.340 -0.000 0.000 0.263 305 Q C 0.539 176.471 176.000 -0.114 0.000 0.979 305 Q CA -0.284 55.481 55.803 -0.064 0.000 0.885 305 Q CB 1.058 29.785 28.738 -0.019 0.000 1.218 305 Q HN 0.333 nan 8.270 nan 0.000 0.405 306 L N 3.626 124.678 121.223 -0.285 0.000 2.298 306 L HA 0.344 4.684 4.340 -0.000 0.000 0.209 306 L C -0.208 176.562 176.870 -0.166 0.000 1.084 306 L CA 0.981 55.601 54.840 -0.366 0.000 0.816 306 L CB 0.098 41.711 42.059 -0.744 0.000 0.967 306 L HN 0.673 nan 8.230 nan 0.000 0.460 307 F N -0.696 119.358 119.950 0.172 0.000 2.452 307 F HA 0.254 4.781 4.527 -0.000 0.000 0.353 307 F C 1.345 177.154 175.800 0.015 0.000 1.089 307 F CA -0.714 57.386 58.000 0.168 0.000 1.080 307 F CB 0.251 39.299 39.000 0.079 0.000 1.399 307 F HN -0.111 nan 8.300 nan 0.000 0.492 308 N N -0.245 118.565 118.700 0.184 0.000 2.741 308 N HA -0.213 4.527 4.740 -0.000 0.000 0.251 308 N C -1.304 174.132 175.510 -0.123 0.000 1.112 308 N CA 0.510 53.556 53.050 -0.008 0.000 0.750 308 N CB -0.732 37.758 38.487 0.005 0.000 1.119 308 N HN 0.384 nan 8.380 nan 0.000 0.561 309 K N 0.261 120.499 120.400 -0.271 0.000 2.371 309 K HA 0.456 4.776 4.320 -0.000 0.000 0.251 309 K C -2.712 173.321 176.600 -0.945 0.000 0.934 309 K CA -1.714 54.261 56.287 -0.520 0.000 0.798 309 K CB 2.355 34.553 32.500 -0.502 0.000 1.204 309 K HN -0.147 nan 8.250 nan 0.000 0.427 310 P HA 0.142 nan 4.420 nan 0.000 0.285 310 P C -1.497 175.051 177.300 -1.253 0.000 1.259 310 P CA -0.246 62.252 63.100 -1.003 0.000 0.794 310 P CB 0.356 31.536 31.700 -0.866 0.000 0.940 311 Y N 1.143 121.031 120.300 -0.686 0.000 2.376 311 Y HA 0.448 4.998 4.550 -0.000 0.000 0.340 311 Y C -0.270 175.234 175.900 -0.660 0.000 0.965 311 Y CA -0.709 57.081 58.100 -0.518 0.000 1.078 311 Y CB 1.068 39.551 38.460 0.037 0.000 1.193 311 Y HN 0.349 nan 8.280 nan 0.000 0.452 312 W N 4.645 126.045 121.300 0.167 0.000 2.433 312 W HA 0.697 5.357 4.660 -0.000 0.000 0.315 312 W C -0.826 175.800 176.519 0.179 0.000 1.087 312 W CA -1.161 56.243 57.345 0.098 0.000 1.205 312 W CB 1.125 30.637 29.460 0.087 0.000 1.288 312 W HN 0.397 nan 8.180 nan 0.000 0.504 313 L N 2.477 123.886 121.223 0.310 0.000 2.264 313 L HA 0.469 4.809 4.340 -0.000 0.000 0.287 313 L C 1.091 178.148 176.870 0.311 0.000 1.039 313 L CA -0.729 54.299 54.840 0.314 0.000 0.829 313 L CB 0.607 42.723 42.059 0.096 0.000 1.211 313 L HN 0.619 nan 8.230 nan 0.000 0.427 314 H N 2.203 121.377 119.070 0.173 0.000 2.399 314 H HA 0.283 4.839 4.556 -0.000 0.000 0.300 314 H C -0.365 175.022 175.328 0.099 0.000 1.048 314 H CA -0.016 56.111 56.048 0.133 0.000 1.370 314 H CB 0.182 30.019 29.762 0.126 0.000 1.428 314 H HN 0.575 nan 8.280 nan 0.000 0.534 315 K N 0.799 120.922 120.400 -0.462 0.000 2.731 315 K HA 0.556 4.876 4.320 -0.000 0.000 0.257 315 K C -0.853 175.622 176.600 -0.207 0.000 1.032 315 K CA -0.140 55.980 56.287 -0.277 0.000 0.983 315 K CB 2.740 35.081 32.500 -0.265 0.000 1.248 315 K HN 0.369 nan 8.250 nan 0.000 0.484 316 A N 1.645 124.425 122.820 -0.066 0.000 2.455 316 A HA -0.031 4.289 4.320 -0.000 0.000 0.244 316 A C 1.293 178.900 177.584 0.039 0.000 1.099 316 A CA 0.333 52.391 52.037 0.035 0.000 0.786 316 A CB 0.275 19.321 19.000 0.076 0.000 1.051 316 A HN 0.844 nan 8.150 nan 0.000 0.508 317 Q N 0.450 120.301 119.800 0.086 0.000 2.137 317 Q HA 0.238 4.578 4.340 -0.000 0.000 0.198 317 Q C 0.974 176.979 176.000 0.009 0.000 0.960 317 Q CA 1.381 57.210 55.803 0.043 0.000 0.847 317 Q CB -0.666 28.106 28.738 0.058 0.000 0.915 317 Q HN 0.798 nan 8.270 nan 0.000 0.448 318 G N -0.939 107.895 108.800 0.057 0.000 2.606 318 G HA2 0.258 4.218 3.960 -0.000 0.000 0.262 318 G HA3 0.258 4.218 3.960 -0.000 0.000 0.262 318 G C -0.353 174.544 174.900 -0.006 0.000 1.394 318 G CA -0.240 44.857 45.100 -0.006 0.000 1.044 318 G HN 0.367 nan 8.290 nan 0.000 0.553 319 H N -1.028 118.162 119.070 0.201 0.000 2.482 319 H HA 0.088 4.644 4.556 -0.000 0.000 0.286 319 H C 0.876 176.358 175.328 0.257 0.000 1.017 319 H CA 0.197 56.376 56.048 0.217 0.000 1.322 319 H CB 0.387 30.300 29.762 0.252 0.000 1.426 319 H HN 0.249 nan 8.280 nan 0.000 0.546 320 N N 1.540 120.497 118.700 0.429 0.000 2.411 320 N HA -0.083 4.657 4.740 -0.000 0.000 0.259 320 N C -0.762 174.902 175.510 0.256 0.000 1.103 320 N CA 0.098 53.388 53.050 0.400 0.000 0.954 320 N CB 0.294 39.098 38.487 0.529 0.000 1.085 320 N HN 0.240 nan 8.380 nan 0.000 0.485 321 N N 3.052 121.804 118.700 0.086 0.000 3.324 321 N HA 0.139 4.879 4.740 -0.000 0.000 0.302 321 N C 0.385 175.743 175.510 -0.253 0.000 1.360 321 N CA 0.291 53.310 53.050 -0.051 0.000 1.190 321 N CB -0.502 37.967 38.487 -0.030 0.000 1.462 321 N HN 0.841 nan 8.380 nan 0.000 0.532 322 G N 0.401 108.830 108.800 -0.617 0.000 2.160 322 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.251 322 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.251 322 G C 0.021 174.684 174.900 -0.395 0.000 1.008 322 G CA 0.113 44.525 45.100 -1.147 0.000 0.724 322 G HN 0.341 nan 8.290 nan 0.000 0.514 323 V N 0.602 120.382 119.914 -0.222 0.000 2.488 323 V HA 0.284 4.404 4.120 -0.000 0.000 0.277 323 V C 1.057 176.973 176.094 -0.296 0.000 1.046 323 V CA -0.105 61.988 62.300 -0.345 0.000 0.986 323 V CB 1.210 32.645 31.823 -0.648 0.000 0.989 323 V HN 0.444 nan 8.190 nan 0.000 0.475 324 C N 5.847 125.033 119.300 -0.189 0.000 2.125 324 C HA 0.332 4.791 4.460 -0.000 0.000 0.355 324 C C 0.169 175.181 174.990 0.038 0.000 1.047 324 C CA -1.342 57.671 59.018 -0.007 0.000 1.501 324 C CB -1.517 26.257 27.740 0.056 0.000 1.783 324 C HN 0.869 nan 8.230 nan 0.000 0.455 325 W N 2.322 123.771 121.300 0.249 0.000 2.238 325 W HA 0.343 5.003 4.660 -0.000 0.000 0.321 325 W C 1.140 177.857 176.519 0.328 0.000 1.293 325 W CA 0.292 57.793 57.345 0.259 0.000 1.204 325 W CB 0.085 29.711 29.460 0.277 0.000 1.167 325 W HN 0.828 nan 8.180 nan 0.000 0.553 326 H N 0.463 119.716 119.070 0.305 0.000 3.433 326 H HA -0.249 4.307 4.556 -0.000 0.000 0.197 326 H C 0.445 175.827 175.328 0.091 0.000 1.059 326 H CA 1.024 57.163 56.048 0.152 0.000 1.185 326 H CB -1.797 28.047 29.762 0.136 0.000 1.106 326 H HN 0.585 nan 8.280 nan 0.000 0.329 327 N N -0.466 118.342 118.700 0.180 0.000 2.735 327 N HA -0.208 4.532 4.740 -0.000 0.000 0.248 327 N C -0.097 175.400 175.510 -0.021 0.000 1.083 327 N CA 1.420 54.506 53.050 0.059 0.000 0.703 327 N CB -0.881 37.621 38.487 0.026 0.000 1.005 327 N HN 0.729 nan 8.380 nan 0.000 0.550 328 Q N -0.251 119.563 119.800 0.024 0.000 2.445 328 Q HA 0.828 5.168 4.340 -0.000 0.000 0.281 328 Q C -0.765 175.181 176.000 -0.090 0.000 1.101 328 Q CA -0.833 54.917 55.803 -0.088 0.000 0.833 328 Q CB 2.497 31.217 28.738 -0.030 0.000 1.416 328 Q HN 0.337 nan 8.270 nan 0.000 0.451 329 L N 1.048 122.127 121.223 -0.241 0.000 2.705 329 L HA 0.467 4.807 4.340 -0.000 0.000 0.260 329 L C -1.980 174.771 176.870 -0.198 0.000 0.921 329 L CA -0.434 54.367 54.840 -0.066 0.000 0.948 329 L CB 1.150 43.180 42.059 -0.049 0.000 1.427 329 L HN 0.530 nan 8.230 nan 0.000 0.432 330 F N 4.328 124.215 119.950 -0.104 0.000 2.443 330 F HA 0.623 5.150 4.527 -0.000 0.000 0.335 330 F C 0.025 175.816 175.800 -0.014 0.000 1.104 330 F CA -0.699 57.217 58.000 -0.140 0.000 1.013 330 F CB 2.092 40.921 39.000 -0.285 0.000 1.136 330 F HN 0.051 nan 8.300 nan 0.000 0.470 331 V N 2.941 123.003 119.914 0.247 0.000 2.304 331 V HA 0.311 4.431 4.120 -0.000 0.000 0.278 331 V C -0.376 175.888 176.094 0.283 0.000 1.018 331 V CA -0.576 61.892 62.300 0.279 0.000 0.814 331 V CB 1.178 33.188 31.823 0.310 0.000 1.021 331 V HN 0.802 nan 8.190 nan 0.000 0.440 332 T N 4.385 119.069 114.554 0.217 0.000 2.799 332 T HA 0.699 5.049 4.350 -0.000 0.000 0.286 332 T C -0.333 174.509 174.700 0.237 0.000 0.973 332 T CA -0.384 61.837 62.100 0.202 0.000 1.035 332 T CB 1.822 70.785 68.868 0.158 0.000 0.932 332 T HN 0.308 nan 8.240 nan 0.000 0.469 333 V N 3.318 123.371 119.914 0.232 0.000 2.932 333 V HA 0.598 4.717 4.120 -0.000 0.000 0.307 333 V C -0.940 175.270 176.094 0.193 0.000 1.147 333 V CA -0.683 61.754 62.300 0.230 0.000 0.951 333 V CB 2.534 34.480 31.823 0.204 0.000 1.031 333 V HN 0.720 nan 8.190 nan 0.000 0.426 334 V N 2.978 123.019 119.914 0.211 0.000 2.760 334 V HA 0.667 4.787 4.120 -0.000 0.000 0.309 334 V C -1.418 174.826 176.094 0.250 0.000 1.077 334 V CA -0.476 61.893 62.300 0.114 0.000 0.910 334 V CB 2.233 34.014 31.823 -0.069 0.000 1.008 334 V HN 1.008 nan 8.190 nan 0.000 0.424 335 D N 1.793 122.316 120.400 0.204 0.000 2.319 335 D HA 0.247 4.887 4.640 -0.000 0.000 0.237 335 D C 0.595 176.946 176.300 0.085 0.000 1.353 335 D CA 0.183 54.339 54.000 0.258 0.000 0.992 335 D CB 1.657 42.697 40.800 0.400 0.000 1.368 335 D HN 0.604 nan 8.370 nan 0.000 0.564 336 T N -0.520 114.046 114.554 0.019 0.000 3.144 336 T HA -0.004 4.346 4.350 -0.000 0.000 0.249 336 T C 1.591 176.263 174.700 -0.046 0.000 1.089 336 T CA 0.758 62.767 62.100 -0.152 0.000 0.989 336 T CB -0.189 68.559 68.868 -0.199 0.000 0.992 336 T HN 0.330 nan 8.240 nan 0.000 0.540 337 T N -0.074 114.503 114.554 0.037 0.000 3.072 337 T HA 0.120 4.470 4.350 -0.000 0.000 0.266 337 T C 0.973 175.698 174.700 0.042 0.000 1.127 337 T CA -0.039 62.090 62.100 0.049 0.000 1.107 337 T CB -0.317 68.588 68.868 0.062 0.000 0.910 337 T HN 0.454 nan 8.240 nan 0.000 0.513 338 R N 1.627 122.150 120.500 0.037 0.000 2.494 338 R HA 0.388 4.728 4.340 -0.000 0.000 0.284 338 R C 0.095 176.461 176.300 0.110 0.000 1.525 338 R CA -0.072 56.060 56.100 0.055 0.000 1.460 338 R CB 0.966 31.286 30.300 0.033 0.000 1.134 338 R HN 0.394 nan 8.270 nan 0.000 0.592 339 S N -1.422 114.319 115.700 0.068 0.000 2.754 339 S HA 0.004 4.474 4.470 -0.000 0.000 0.247 339 S C 0.557 175.181 174.600 0.039 0.000 1.031 339 S CA -0.656 57.555 58.200 0.018 0.000 1.014 339 S CB 0.288 63.399 63.200 -0.147 0.000 0.918 339 S HN 0.379 nan 8.310 nan 0.000 0.519 340 T N 1.749 116.366 114.554 0.105 0.000 2.831 340 T HA 0.173 4.523 4.350 -0.000 0.000 0.291 340 T C -0.195 174.585 174.700 0.133 0.000 0.981 340 T CA -0.232 61.921 62.100 0.089 0.000 1.174 340 T CB -0.394 68.518 68.868 0.073 0.000 0.929 340 T HN 0.427 nan 8.240 nan 0.000 0.532 341 N N 2.977 121.715 118.700 0.064 0.000 2.420 341 N HA 0.294 5.034 4.740 -0.000 0.000 0.249 341 N C -0.121 175.415 175.510 0.043 0.000 1.033 341 N CA -0.632 52.452 53.050 0.057 0.000 0.944 341 N CB 0.641 39.112 38.487 -0.027 0.000 1.113 341 N HN 0.530 nan 8.380 nan 0.000 0.502 342 L N 1.901 123.158 121.223 0.057 0.000 2.490 342 L HA 0.105 4.445 4.340 -0.000 0.000 0.274 342 L C 0.621 177.505 176.870 0.024 0.000 1.201 342 L CA 0.338 55.199 54.840 0.036 0.000 0.869 342 L CB 0.286 42.365 42.059 0.033 0.000 1.123 342 L HN 0.446 nan 8.230 nan 0.000 0.484 343 T N 4.519 119.090 114.554 0.028 0.000 2.797 343 T HA 0.626 4.976 4.350 -0.000 0.000 0.279 343 T C -0.241 174.492 174.700 0.055 0.000 0.991 343 T CA -0.301 61.821 62.100 0.037 0.000 0.979 343 T CB 1.132 70.017 68.868 0.029 0.000 0.943 343 T HN 0.297 nan 8.240 nan 0.000 0.444 344 I N 3.523 124.152 120.570 0.097 0.000 2.468 344 I HA 0.393 4.563 4.170 -0.000 0.000 0.285 344 I C -0.136 176.092 176.117 0.186 0.000 1.039 344 I CA -0.829 60.530 61.300 0.100 0.000 1.074 344 I CB 1.281 39.317 38.000 0.060 0.000 1.228 344 I HN 0.744 nan 8.210 nan 0.000 0.436 345 C N 4.215 123.613 119.300 0.164 0.000 2.379 345 C HA 0.957 5.416 4.460 -0.000 0.000 0.323 345 C C 0.269 175.406 174.990 0.246 0.000 1.262 345 C CA -0.505 58.666 59.018 0.255 0.000 1.581 345 C CB 0.505 28.382 27.740 0.228 0.000 2.221 345 C HN 0.812 nan 8.230 nan 0.000 0.497 346 A N 3.377 126.350 122.820 0.256 0.000 2.325 346 A HA 0.894 5.214 4.320 -0.000 0.000 0.333 346 A C 0.297 177.976 177.584 0.158 0.000 1.155 346 A CA -0.046 52.092 52.037 0.167 0.000 0.814 346 A CB 0.949 19.977 19.000 0.047 0.000 1.206 346 A HN 1.718 nan 8.150 nan 0.000 0.482 347 S N 0.427 116.124 115.700 -0.005 0.000 2.693 347 S HA 0.473 4.943 4.470 -0.000 0.000 0.276 347 S C 0.596 175.073 174.600 -0.206 0.000 1.192 347 S CA 0.310 58.302 58.200 -0.346 0.000 0.994 347 S CB 1.180 64.006 63.200 -0.624 0.000 1.012 347 S HN 0.572 nan 8.310 nan 0.000 0.550 348 T N 0.699 115.097 114.554 -0.260 0.000 3.031 348 T HA 0.149 4.499 4.350 -0.000 0.000 0.254 348 T C 0.467 175.093 174.700 -0.123 0.000 1.060 348 T CA 0.517 62.538 62.100 -0.133 0.000 1.135 348 T CB -0.102 68.695 68.868 -0.118 0.000 0.896 348 T HN 0.538 nan 8.240 nan 0.000 0.472 349 Q N 0.782 120.479 119.800 -0.171 0.000 2.256 349 Q HA 0.366 4.706 4.340 -0.000 0.000 0.232 349 Q C 1.271 177.216 176.000 -0.092 0.000 0.965 349 Q CA -0.086 55.647 55.803 -0.116 0.000 0.908 349 Q CB 1.244 29.910 28.738 -0.119 0.000 1.209 349 Q HN 0.123 nan 8.270 nan 0.000 0.489 350 S N 0.634 116.299 115.700 -0.057 0.000 2.388 350 S HA 0.005 4.475 4.470 -0.000 0.000 0.223 350 S C -0.859 173.723 174.600 -0.030 0.000 1.034 350 S CA 0.402 58.579 58.200 -0.039 0.000 0.963 350 S CB -0.651 62.533 63.200 -0.026 0.000 0.827 350 S HN 0.465 nan 8.310 nan 0.000 0.481 351 P HA 0.254 nan 4.420 nan 0.000 0.227 351 P C -0.385 176.911 177.300 -0.007 0.000 1.161 351 P CA 0.441 63.534 63.100 -0.012 0.000 0.788 351 P CB 0.141 31.836 31.700 -0.008 0.000 0.822 352 V N -0.898 118.998 119.914 -0.030 0.000 5.851 352 V HA -0.096 4.024 4.120 -0.000 0.000 0.335 352 V C -2.167 173.945 176.094 0.031 0.000 0.546 352 V CA -0.796 61.493 62.300 -0.017 0.000 1.140 352 V CB -2.359 29.487 31.823 0.038 0.000 1.294 352 V HN 0.260 nan 8.190 nan 0.000 0.532 353 P HA 0.132 nan 4.420 nan 0.000 0.267 353 P C 1.244 178.597 177.300 0.088 0.000 1.201 353 P CA 0.850 63.974 63.100 0.039 0.000 0.775 353 P CB 0.860 32.572 31.700 0.019 0.000 0.854 354 G N 0.748 109.592 108.800 0.074 0.000 2.956 354 G HA2 -0.086 3.874 3.960 -0.000 0.000 0.207 354 G HA3 -0.086 3.874 3.960 -0.000 0.000 0.207 354 G C 0.594 175.557 174.900 0.104 0.000 1.162 354 G CA 0.261 45.413 45.100 0.086 0.000 0.796 354 G HN 0.523 nan 8.290 nan 0.000 0.527 355 Q N -0.201 119.666 119.800 0.110 0.000 2.333 355 Q HA 0.449 4.789 4.340 -0.000 0.000 0.265 355 Q C -1.207 174.905 176.000 0.186 0.000 0.989 355 Q CA -1.046 54.832 55.803 0.124 0.000 0.842 355 Q CB 1.060 29.842 28.738 0.074 0.000 1.262 355 Q HN 0.277 nan 8.270 nan 0.000 0.451 356 Y N 2.978 123.334 120.300 0.094 0.000 2.425 356 Y HA 0.339 4.889 4.550 -0.000 0.000 0.331 356 Y C -0.821 175.158 175.900 0.132 0.000 1.157 356 Y CA 0.422 58.599 58.100 0.129 0.000 1.372 356 Y CB 0.809 39.300 38.460 0.051 0.000 1.253 356 Y HN 0.580 nan 8.280 nan 0.000 0.536 357 D N 4.396 124.450 120.400 -0.578 0.000 2.763 357 D HA 0.356 4.996 4.640 -0.000 0.000 0.235 357 D C 0.249 176.270 176.300 -0.465 0.000 1.334 357 D CA 0.167 53.885 54.000 -0.470 0.000 0.950 357 D CB 1.670 42.380 40.800 -0.149 0.000 1.433 357 D HN 0.744 nan 8.370 nan 0.000 0.580 358 A N 2.533 125.042 122.820 -0.517 0.000 1.873 358 A HA -0.208 4.112 4.320 -0.000 0.000 0.218 358 A C 2.017 179.611 177.584 0.017 0.000 1.193 358 A CA 2.805 54.710 52.037 -0.220 0.000 0.629 358 A CB -1.144 17.809 19.000 -0.078 0.000 0.826 358 A HN 0.697 nan 8.150 nan 0.000 0.447 359 T N -2.154 112.389 114.554 -0.019 0.000 2.822 359 T HA -0.186 4.164 4.350 -0.000 0.000 0.270 359 T C 1.632 176.341 174.700 0.015 0.000 1.064 359 T CA 1.762 63.864 62.100 0.005 0.000 1.131 359 T CB -0.336 68.521 68.868 -0.019 0.000 0.858 359 T HN 0.480 nan 8.240 nan 0.000 0.483 360 K N -0.167 120.234 120.400 0.002 0.000 2.525 360 K HA 0.150 4.470 4.320 -0.000 0.000 0.192 360 K C -0.790 175.624 176.600 -0.311 0.000 1.029 360 K CA 0.115 56.321 56.287 -0.135 0.000 1.029 360 K CB -0.028 32.359 32.500 -0.188 0.000 0.814 360 K HN 0.405 nan 8.250 nan 0.000 0.503 361 F N 0.303 120.246 119.950 -0.013 0.000 2.563 361 F HA 0.373 4.900 4.527 -0.000 0.000 0.316 361 F C -0.231 175.601 175.800 0.053 0.000 1.076 361 F CA -0.970 57.056 58.000 0.042 0.000 0.921 361 F CB 1.626 40.668 39.000 0.071 0.000 1.209 361 F HN -0.440 nan 8.300 nan 0.000 0.462 362 K N 1.926 122.492 120.400 0.277 0.000 2.265 362 K HA 0.366 4.686 4.320 -0.000 0.000 0.267 362 K C -0.877 175.869 176.600 0.244 0.000 0.994 362 K CA -0.854 55.557 56.287 0.207 0.000 0.860 362 K CB 1.716 34.386 32.500 0.282 0.000 1.099 362 K HN 0.519 nan 8.250 nan 0.000 0.448 363 Q N 2.390 122.210 119.800 0.034 0.000 2.256 363 Q HA 0.298 4.638 4.340 -0.000 0.000 0.254 363 Q C -1.591 174.309 176.000 -0.166 0.000 0.916 363 Q CA -0.057 55.773 55.803 0.046 0.000 0.932 363 Q CB 0.652 29.402 28.738 0.020 0.000 1.207 363 Q HN 0.372 nan 8.270 nan 0.000 0.426 364 Y N 0.156 120.468 120.300 0.019 0.000 2.576 364 Y HA 0.609 5.159 4.550 -0.000 0.000 0.346 364 Y C -0.526 175.346 175.900 -0.046 0.000 1.018 364 Y CA -1.000 57.095 58.100 -0.009 0.000 1.050 364 Y CB 2.610 41.069 38.460 -0.000 0.000 1.280 364 Y HN 0.507 nan 8.280 nan 0.000 0.474 365 S N 2.599 118.328 115.700 0.048 0.000 2.789 365 S HA 0.648 5.118 4.470 -0.000 0.000 0.286 365 S C -1.485 173.051 174.600 -0.107 0.000 1.153 365 S CA -0.750 57.397 58.200 -0.088 0.000 1.084 365 S CB 0.103 63.146 63.200 -0.262 0.000 1.036 365 S HN 0.544 nan 8.310 nan 0.000 0.484 366 R N 2.970 123.449 120.500 -0.035 0.000 2.637 366 R HA 0.453 4.793 4.340 -0.000 0.000 0.291 366 R C -0.703 175.628 176.300 0.051 0.000 0.963 366 R CA -0.612 55.481 56.100 -0.013 0.000 0.901 366 R CB 1.174 31.479 30.300 0.008 0.000 1.160 366 R HN 0.829 nan 8.270 nan 0.000 0.457 367 H N 0.825 119.859 119.070 -0.059 0.000 2.524 367 H HA 0.556 5.112 4.556 -0.000 0.000 0.353 367 H C -0.973 174.363 175.328 0.013 0.000 1.136 367 H CA -0.838 55.198 56.048 -0.020 0.000 1.193 367 H CB 1.866 31.622 29.762 -0.009 0.000 1.558 367 H HN 0.137 nan 8.280 nan 0.000 0.515 368 V N 3.448 123.067 119.914 -0.492 0.000 2.715 368 V HA 0.221 4.341 4.120 -0.000 0.000 0.310 368 V C -0.610 175.211 176.094 -0.456 0.000 1.054 368 V CA -0.613 61.489 62.300 -0.330 0.000 0.928 368 V CB 1.985 33.711 31.823 -0.162 0.000 1.007 368 V HN 0.757 nan 8.190 nan 0.000 0.437 369 E N 2.140 122.257 120.200 -0.138 0.000 2.275 369 E HA 0.464 4.814 4.350 -0.000 0.000 0.270 369 E C -1.184 175.486 176.600 0.117 0.000 0.882 369 E CA -0.438 55.954 56.400 -0.012 0.000 0.758 369 E CB 1.886 31.693 29.700 0.178 0.000 1.195 369 E HN 0.725 nan 8.360 nan 0.000 0.419 370 E N 4.040 124.227 120.200 -0.022 0.000 2.220 370 E HA 0.319 4.669 4.350 -0.000 0.000 0.256 370 E C -1.339 175.174 176.600 -0.145 0.000 0.881 370 E CA -0.532 55.870 56.400 0.003 0.000 0.766 370 E CB 0.609 30.281 29.700 -0.047 0.000 1.187 370 E HN 0.423 nan 8.360 nan 0.000 0.419 371 Y N 1.624 121.877 120.300 -0.079 0.000 2.621 371 Y HA 0.442 4.992 4.550 -0.000 0.000 0.334 371 Y C -0.160 175.597 175.900 -0.238 0.000 1.074 371 Y CA -0.887 57.091 58.100 -0.204 0.000 1.149 371 Y CB 1.749 40.013 38.460 -0.327 0.000 1.302 371 Y HN 0.427 nan 8.280 nan 0.000 0.501 372 D N 1.602 121.919 120.400 -0.139 0.000 2.764 372 D HA 0.288 4.928 4.640 -0.000 0.000 0.227 372 D C -1.863 174.259 176.300 -0.296 0.000 1.347 372 D CA -0.192 53.698 54.000 -0.184 0.000 0.953 372 D CB 1.076 41.800 40.800 -0.128 0.000 1.476 372 D HN 0.526 nan 8.370 nan 0.000 0.585 373 L N 2.344 123.349 121.223 -0.363 0.000 2.322 373 L HA 0.526 4.866 4.340 -0.000 0.000 0.279 373 L C 0.188 176.720 176.870 -0.563 0.000 1.036 373 L CA -0.678 53.844 54.840 -0.530 0.000 0.807 373 L CB 1.786 43.567 42.059 -0.463 0.000 1.226 373 L HN 0.330 nan 8.230 nan 0.000 0.433 374 Q N 2.459 121.692 119.800 -0.945 0.000 2.345 374 Q HA 0.676 5.016 4.340 -0.000 0.000 0.275 374 Q C -1.723 173.585 176.000 -1.154 0.000 1.063 374 Q CA -0.608 54.726 55.803 -0.783 0.000 0.819 374 Q CB 3.133 31.581 28.738 -0.483 0.000 1.356 374 Q HN 0.349 nan 8.270 nan 0.000 0.418 375 F N 0.533 120.030 119.950 -0.754 0.000 2.685 375 F HA 0.582 5.109 4.527 -0.000 0.000 0.315 375 F C -0.812 174.424 175.800 -0.941 0.000 1.126 375 F CA -1.007 56.485 58.000 -0.846 0.000 0.950 375 F CB 1.396 39.719 39.000 -1.128 0.000 1.360 375 F HN 0.272 nan 8.300 nan 0.000 0.469 376 I N 2.177 122.354 120.570 -0.656 0.000 2.468 376 I HA 0.340 4.510 4.170 -0.000 0.000 0.285 376 I C -1.135 174.630 176.117 -0.586 0.000 1.039 376 I CA -0.866 60.088 61.300 -0.577 0.000 1.074 376 I CB 1.231 38.891 38.000 -0.566 0.000 1.228 376 I HN 0.408 nan 8.210 nan 0.000 0.436 377 F N 4.012 123.815 119.950 -0.244 0.000 2.458 377 F HA 0.476 5.003 4.527 -0.000 0.000 0.330 377 F C 0.626 176.471 175.800 0.075 0.000 1.082 377 F CA -0.622 57.277 58.000 -0.168 0.000 0.995 377 F CB 1.719 40.406 39.000 -0.522 0.000 1.170 377 F HN 0.380 nan 8.300 nan 0.000 0.478 378 Q N 3.133 123.161 119.800 0.380 0.000 2.307 378 Q HA 0.458 4.798 4.340 -0.000 0.000 0.262 378 Q C -1.470 174.724 176.000 0.324 0.000 0.961 378 Q CA -1.127 54.788 55.803 0.186 0.000 0.882 378 Q CB 1.818 30.610 28.738 0.089 0.000 1.264 378 Q HN 0.698 nan 8.270 nan 0.000 0.446 379 L N 4.152 125.539 121.223 0.274 0.000 2.367 379 L HA 0.363 4.703 4.340 -0.000 0.000 0.275 379 L C -1.350 175.454 176.870 -0.110 0.000 1.129 379 L CA 0.278 55.160 54.840 0.071 0.000 0.839 379 L CB 0.644 42.690 42.059 -0.023 0.000 1.133 379 L HN 0.818 nan 8.230 nan 0.000 0.453 380 C N 2.136 121.320 119.300 -0.193 0.000 2.889 380 C HA 0.848 5.308 4.460 -0.000 0.000 0.307 380 C C 0.155 175.027 174.990 -0.197 0.000 1.251 380 C CA -0.549 58.376 59.018 -0.155 0.000 1.593 380 C CB 1.899 29.577 27.740 -0.102 0.000 2.104 380 C HN 0.895 nan 8.230 nan 0.000 0.476 381 T N -0.724 113.759 114.554 -0.118 0.000 2.912 381 T HA 0.813 5.163 4.350 -0.000 0.000 0.288 381 T C -0.948 173.744 174.700 -0.013 0.000 1.030 381 T CA -0.516 61.529 62.100 -0.093 0.000 1.020 381 T CB 0.976 69.823 68.868 -0.035 0.000 1.056 381 T HN 0.548 nan 8.240 nan 0.000 0.480 382 I N 2.455 123.024 120.570 -0.002 0.000 2.517 382 I HA 0.193 4.363 4.170 -0.000 0.000 0.280 382 I C -0.098 176.053 176.117 0.058 0.000 1.061 382 I CA -0.816 60.543 61.300 0.099 0.000 1.091 382 I CB 1.813 39.931 38.000 0.197 0.000 1.205 382 I HN 0.743 nan 8.210 nan 0.000 0.459 383 T N 6.766 121.367 114.554 0.078 0.000 2.751 383 T HA 0.175 4.525 4.350 -0.000 0.000 0.279 383 T C 0.530 175.272 174.700 0.069 0.000 0.941 383 T CA -0.091 62.041 62.100 0.054 0.000 1.192 383 T CB -0.146 68.751 68.868 0.049 0.000 0.883 383 T HN 0.306 nan 8.240 nan 0.000 0.534 384 L N 5.257 126.507 121.223 0.044 0.000 2.565 384 L HA 0.202 4.542 4.340 -0.000 0.000 0.275 384 L C 1.376 178.276 176.870 0.050 0.000 1.137 384 L CA -0.287 54.594 54.840 0.068 0.000 0.915 384 L CB -0.548 41.546 42.059 0.059 0.000 1.232 384 L HN 0.774 nan 8.230 nan 0.000 0.473 385 T N -0.612 113.974 114.554 0.054 0.000 2.905 385 T HA 0.622 4.972 4.350 -0.000 0.000 0.283 385 T C 1.103 175.823 174.700 0.033 0.000 1.031 385 T CA -0.134 61.987 62.100 0.035 0.000 1.002 385 T CB 1.826 70.711 68.868 0.029 0.000 1.200 385 T HN 0.388 nan 8.240 nan 0.000 0.560 386 A N 1.588 124.422 122.820 0.023 0.000 1.859 386 A HA -0.216 4.104 4.320 -0.000 0.000 0.218 386 A C 1.845 179.442 177.584 0.022 0.000 1.242 386 A CA 2.720 54.769 52.037 0.020 0.000 0.661 386 A CB -1.758 17.250 19.000 0.013 0.000 0.842 386 A HN 1.026 nan 8.150 nan 0.000 0.455 387 D N -0.524 119.886 120.400 0.017 0.000 2.178 387 D HA -0.066 4.574 4.640 -0.000 0.000 0.202 387 D C 1.557 177.869 176.300 0.021 0.000 0.974 387 D CA 1.137 55.147 54.000 0.018 0.000 0.841 387 D CB -0.852 39.950 40.800 0.002 0.000 0.953 387 D HN 0.209 nan 8.370 nan 0.000 0.478 388 V N 0.556 120.476 119.914 0.010 0.000 2.255 388 V HA -0.314 3.806 4.120 -0.000 0.000 0.247 388 V C 2.608 178.732 176.094 0.050 0.000 1.051 388 V CA 2.072 64.375 62.300 0.005 0.000 1.018 388 V CB -0.551 31.298 31.823 0.042 0.000 0.641 388 V HN 0.200 nan 8.190 nan 0.000 0.445 389 M N 0.546 120.182 119.600 0.060 0.000 2.159 389 M HA -0.161 4.319 4.480 -0.000 0.000 0.263 389 M C 2.431 178.738 176.300 0.013 0.000 1.063 389 M CA 2.154 57.484 55.300 0.051 0.000 1.110 389 M CB -0.473 32.159 32.600 0.053 0.000 1.374 389 M HN 0.594 nan 8.290 nan 0.000 0.411 390 S N -0.486 115.229 115.700 0.023 0.000 2.382 390 S HA -0.206 4.264 4.470 -0.000 0.000 0.228 390 S C 1.860 176.465 174.600 0.007 0.000 1.027 390 S CA 0.992 59.196 58.200 0.007 0.000 0.991 390 S CB -0.919 62.292 63.200 0.018 0.000 0.823 390 S HN 0.572 nan 8.310 nan 0.000 0.469 391 Y N 2.401 122.637 120.300 -0.106 0.000 2.114 391 Y HA 0.014 4.564 4.550 -0.000 0.000 0.284 391 Y C 2.057 177.847 175.900 -0.183 0.000 1.143 391 Y CA 1.568 59.585 58.100 -0.139 0.000 1.135 391 Y CB -0.496 37.837 38.460 -0.211 0.000 0.980 391 Y HN 0.231 nan 8.280 nan 0.000 0.499 392 I N 0.229 120.713 120.570 -0.142 0.000 2.454 392 I HA -0.293 3.877 4.170 -0.000 0.000 0.254 392 I C 2.334 178.247 176.117 -0.341 0.000 1.156 392 I CA 1.527 62.643 61.300 -0.307 0.000 1.433 392 I CB -0.405 37.489 38.000 -0.177 0.000 1.082 392 I HN 0.331 nan 8.210 nan 0.000 0.432 393 Q N 1.077 120.744 119.800 -0.223 0.000 2.016 393 Q HA -0.150 4.190 4.340 -0.000 0.000 0.200 393 Q C 2.280 178.146 176.000 -0.223 0.000 0.978 393 Q CA 2.305 57.993 55.803 -0.192 0.000 0.833 393 Q CB -0.144 28.526 28.738 -0.112 0.000 0.895 393 Q HN 0.354 nan 8.270 nan 0.000 0.427 394 S N 0.186 115.751 115.700 -0.225 0.000 2.368 394 S HA -0.194 4.276 4.470 -0.000 0.000 0.225 394 S C 1.812 176.224 174.600 -0.313 0.000 1.030 394 S CA 1.473 59.547 58.200 -0.210 0.000 0.999 394 S CB -0.415 62.690 63.200 -0.158 0.000 0.844 394 S HN 0.541 nan 8.310 nan 0.000 0.459 395 M N 1.217 120.495 119.600 -0.536 0.000 2.059 395 M HA -0.063 4.417 4.480 -0.000 0.000 0.259 395 M C 0.493 176.386 176.300 -0.678 0.000 1.072 395 M CA 1.602 56.405 55.300 -0.829 0.000 1.117 395 M CB 0.073 32.071 32.600 -1.003 0.000 1.320 395 M HN 0.274 nan 8.290 nan 0.000 0.408 396 N N -0.307 118.072 118.700 -0.535 0.000 2.969 396 N HA 0.057 4.797 4.740 -0.000 0.000 0.230 396 N C 0.388 175.697 175.510 -0.334 0.000 1.397 396 N CA 0.350 53.158 53.050 -0.404 0.000 0.762 396 N CB 0.756 38.993 38.487 -0.417 0.000 1.495 396 N HN 0.354 nan 8.380 nan 0.000 0.583 397 S N 0.730 116.274 115.700 -0.260 0.000 2.409 397 S HA -0.300 4.170 4.470 -0.000 0.000 0.237 397 S C 1.788 176.254 174.600 -0.224 0.000 1.060 397 S CA 2.073 60.143 58.200 -0.217 0.000 1.052 397 S CB -0.616 62.491 63.200 -0.155 0.000 0.871 397 S HN 0.606 nan 8.310 nan 0.000 0.465 398 S N 1.968 117.562 115.700 -0.177 0.000 2.469 398 S HA 0.070 4.540 4.470 -0.000 0.000 0.238 398 S C 1.707 176.133 174.600 -0.291 0.000 0.998 398 S CA 1.123 59.248 58.200 -0.125 0.000 0.957 398 S CB -0.820 62.403 63.200 0.037 0.000 0.764 398 S HN 0.616 nan 8.310 nan 0.000 0.514 399 I N 0.938 121.261 120.570 -0.412 0.000 2.252 399 I HA -0.087 4.083 4.170 -0.000 0.000 0.245 399 I C 2.195 177.645 176.117 -1.113 0.000 1.102 399 I CA 1.149 61.972 61.300 -0.794 0.000 1.385 399 I CB -0.234 37.268 38.000 -0.831 0.000 1.064 399 I HN 0.281 nan 8.210 nan 0.000 0.414 400 L N 0.010 120.808 121.223 -0.709 0.000 2.240 400 L HA -0.116 4.224 4.340 -0.000 0.000 0.211 400 L C 2.377 179.093 176.870 -0.256 0.000 1.106 400 L CA 0.841 55.406 54.840 -0.458 0.000 0.793 400 L CB -0.280 41.659 42.059 -0.200 0.000 0.927 400 L HN 0.217 nan 8.230 nan 0.000 0.446 401 E N 0.216 120.262 120.200 -0.257 0.000 2.047 401 E HA -0.223 4.127 4.350 -0.000 0.000 0.191 401 E C 1.584 178.108 176.600 -0.128 0.000 0.987 401 E CA 1.298 57.613 56.400 -0.143 0.000 0.799 401 E CB 0.207 29.830 29.700 -0.128 0.000 0.752 401 E HN 0.378 nan 8.360 nan 0.000 0.449 402 D N -0.255 120.001 120.400 -0.239 0.000 2.149 402 D HA -0.185 4.455 4.640 -0.000 0.000 0.198 402 D C 1.273 177.595 176.300 0.037 0.000 0.990 402 D CA 0.738 54.646 54.000 -0.153 0.000 0.839 402 D CB -0.275 40.352 40.800 -0.289 0.000 0.948 402 D HN 0.399 nan 8.370 nan 0.000 0.460 403 W N 1.357 122.616 121.300 -0.068 0.000 2.825 403 W HA 0.079 4.739 4.660 -0.000 0.000 0.243 403 W C 0.646 177.149 176.519 -0.026 0.000 1.293 403 W CA -0.072 57.250 57.345 -0.037 0.000 1.403 403 W CB -1.116 28.331 29.460 -0.022 0.000 1.134 403 W HN -0.052 nan 8.180 nan 0.000 0.666 439 K N 1.215 121.611 120.400 -0.006 0.000 2.265 439 K HA 0.304 4.624 4.320 -0.000 0.000 0.267 439 K C -1.072 175.513 176.600 -0.025 0.000 0.994 439 K CA -0.427 55.853 56.287 -0.012 0.000 0.860 439 K CB 0.556 33.042 32.500 -0.022 0.000 1.099 439 K HN 0.364 nan 8.250 nan 0.000 0.448 440 D N 4.786 125.178 120.400 -0.013 0.000 2.249 440 D HA 0.148 4.788 4.640 -0.000 0.000 0.246 440 D C -1.571 174.670 176.300 -0.098 0.000 1.114 440 D CA -1.969 52.009 54.000 -0.037 0.000 0.854 440 D CB 1.519 42.347 40.800 0.045 0.000 1.132 440 D HN 0.239 nan 8.370 nan 0.000 0.461 441 P HA -0.128 nan 4.420 nan 0.000 0.223 441 P C 0.497 177.643 177.300 -0.257 0.000 1.144 441 P CA 0.996 63.887 63.100 -0.349 0.000 0.783 441 P CB -0.090 31.261 31.700 -0.583 0.000 0.771 442 Y N -0.889 119.469 120.300 0.097 0.000 2.485 442 Y HA 0.138 4.688 4.550 -0.000 0.000 0.260 442 Y C 1.582 177.561 175.900 0.132 0.000 1.173 442 Y CA -0.553 57.654 58.100 0.178 0.000 1.252 442 Y CB -0.276 38.422 38.460 0.398 0.000 1.123 442 Y HN -0.134 nan 8.280 nan 0.000 0.524 443 D N 0.513 121.012 120.400 0.166 0.000 2.378 443 D HA -0.099 4.540 4.640 -0.000 0.000 0.222 443 D C 1.647 177.978 176.300 0.051 0.000 0.980 443 D CA 0.905 54.969 54.000 0.107 0.000 0.907 443 D CB 0.194 41.032 40.800 0.062 0.000 0.899 443 D HN 0.273 nan 8.370 nan 0.000 0.527 444 K N -0.300 120.123 120.400 0.039 0.000 2.284 444 K HA 0.120 4.440 4.320 -0.000 0.000 0.198 444 K C 0.906 177.466 176.600 -0.068 0.000 1.048 444 K CA 0.084 56.366 56.287 -0.008 0.000 0.987 444 K CB 0.579 33.077 32.500 -0.003 0.000 0.800 444 K HN 0.189 nan 8.250 nan 0.000 0.486 445 L N 2.297 123.449 121.223 -0.118 0.000 2.395 445 L HA 0.155 4.495 4.340 -0.000 0.000 0.269 445 L C 0.342 176.878 176.870 -0.557 0.000 1.133 445 L CA -0.754 53.876 54.840 -0.350 0.000 0.812 445 L CB 0.402 42.175 42.059 -0.476 0.000 1.125 445 L HN -0.254 nan 8.230 nan 0.000 0.452 446 K N 3.277 123.373 120.400 -0.508 0.000 2.349 446 K HA 0.441 4.761 4.320 -0.000 0.000 0.289 446 K C -0.811 175.472 176.600 -0.529 0.000 1.064 446 K CA 0.405 56.457 56.287 -0.393 0.000 0.947 446 K CB 0.215 32.600 32.500 -0.191 0.000 1.007 446 K HN 0.278 nan 8.250 nan 0.000 0.478 447 F N 0.597 120.580 119.950 0.055 0.000 2.593 447 F HA 0.309 4.836 4.527 -0.000 0.000 0.320 447 F C 0.094 175.959 175.800 0.107 0.000 1.060 447 F CA -1.302 56.744 58.000 0.078 0.000 0.940 447 F CB 1.392 40.459 39.000 0.112 0.000 1.268 447 F HN 0.359 nan 8.300 nan 0.000 0.475 448 W N 4.349 125.695 121.300 0.076 0.000 2.437 448 W HA 0.252 4.912 4.660 -0.000 0.000 0.312 448 W C -0.960 175.627 176.519 0.114 0.000 1.242 448 W CA -0.940 56.417 57.345 0.019 0.000 1.340 448 W CB 0.236 29.596 29.460 -0.167 0.000 1.327 448 W HN 0.437 nan 8.180 nan 0.000 0.476 449 N N 4.654 123.658 118.700 0.506 0.000 2.472 449 N HA 0.270 5.010 4.740 -0.000 0.000 0.277 449 N C -1.147 174.579 175.510 0.359 0.000 1.081 449 N CA -0.183 53.068 53.050 0.335 0.000 0.973 449 N CB 2.162 40.773 38.487 0.206 0.000 1.105 449 N HN 0.082 nan 8.380 nan 0.000 0.470 450 V N 1.942 121.980 119.914 0.206 0.000 2.447 450 V HA 0.112 4.232 4.120 -0.000 0.000 0.292 450 V C -0.216 175.920 176.094 0.070 0.000 1.021 450 V CA -0.918 61.474 62.300 0.153 0.000 0.850 450 V CB 1.875 33.744 31.823 0.075 0.000 1.005 450 V HN 0.546 nan 8.190 nan 0.000 0.426 451 D N 4.760 125.209 120.400 0.081 0.000 2.295 451 D HA 0.374 5.014 4.640 -0.000 0.000 0.248 451 D C 0.105 176.430 176.300 0.041 0.000 1.154 451 D CA -0.071 53.956 54.000 0.045 0.000 0.857 451 D CB 1.651 42.486 40.800 0.057 0.000 1.117 451 D HN 0.502 nan 8.370 nan 0.000 0.468 452 L N 3.872 125.103 121.223 0.014 0.000 3.202 452 L HA 0.202 4.542 4.340 -0.000 0.000 0.278 452 L C 1.715 178.624 176.870 0.065 0.000 1.268 452 L CA -0.227 54.653 54.840 0.066 0.000 1.034 452 L CB 0.416 42.531 42.059 0.092 0.000 1.407 452 L HN 0.130 nan 8.230 nan 0.000 0.581 453 K N 0.389 120.784 120.400 -0.008 0.000 2.288 453 K HA -0.031 4.289 4.320 -0.000 0.000 0.201 453 K C 0.967 177.583 176.600 0.027 0.000 1.048 453 K CA 0.821 57.061 56.287 -0.077 0.000 0.956 453 K CB 0.299 32.769 32.500 -0.051 0.000 0.746 453 K HN 0.144 nan 8.250 nan 0.000 0.461 454 E N 0.290 120.546 120.200 0.095 0.000 2.496 454 E HA 0.074 4.424 4.350 -0.000 0.000 0.202 454 E C 0.058 176.769 176.600 0.184 0.000 1.021 454 E CA 0.189 56.675 56.400 0.143 0.000 1.015 454 E CB 0.713 30.481 29.700 0.114 0.000 1.102 454 E HN 0.136 nan 8.360 nan 0.000 0.452 455 K N 0.113 120.653 120.400 0.232 0.000 2.533 455 K HA 0.197 4.517 4.320 -0.000 0.000 0.202 455 K C -0.152 176.608 176.600 0.267 0.000 1.096 455 K CA -0.300 56.119 56.287 0.221 0.000 1.056 455 K CB 0.731 33.321 32.500 0.151 0.000 0.890 455 K HN -0.070 nan 8.250 nan 0.000 0.552 456 F N 1.326 121.325 119.950 0.081 0.000 2.396 456 F HA 0.274 4.801 4.527 -0.000 0.000 0.343 456 F C 0.858 176.847 175.800 0.315 0.000 1.104 456 F CA -0.212 57.867 58.000 0.132 0.000 1.161 456 F CB 1.499 40.485 39.000 -0.022 0.000 1.146 456 F HN -0.223 nan 8.300 nan 0.000 0.522 457 S N 2.921 118.850 115.700 0.381 0.000 2.595 457 S HA 0.571 5.041 4.470 -0.000 0.000 0.281 457 S C 0.156 174.872 174.600 0.193 0.000 1.117 457 S CA -0.641 57.748 58.200 0.315 0.000 0.873 457 S CB 1.217 64.550 63.200 0.221 0.000 1.108 457 S HN 0.685 nan 8.310 nan 0.000 0.477 458 L N 1.115 122.369 121.223 0.052 0.000 2.590 458 L HA 0.289 4.629 4.340 -0.000 0.000 0.227 458 L C -0.502 176.354 176.870 -0.024 0.000 1.099 458 L CA 0.296 55.032 54.840 -0.174 0.000 0.872 458 L CB 0.167 42.097 42.059 -0.214 0.000 1.088 458 L HN 0.643 nan 8.230 nan 0.000 0.479 459 D N 0.026 120.474 120.400 0.080 0.000 2.493 459 D HA 0.159 4.799 4.640 -0.000 0.000 0.235 459 D C 1.226 177.622 176.300 0.160 0.000 1.117 459 D CA -0.355 53.699 54.000 0.091 0.000 0.930 459 D CB 0.451 41.286 40.800 0.057 0.000 1.010 459 D HN -0.015 nan 8.370 nan 0.000 0.514 460 L N 0.390 121.702 121.223 0.148 0.000 2.089 460 L HA -0.226 4.114 4.340 -0.000 0.000 0.213 460 L C 2.103 179.076 176.870 0.172 0.000 1.079 460 L CA 1.582 56.536 54.840 0.191 0.000 0.758 460 L CB -0.412 41.758 42.059 0.186 0.000 0.891 460 L HN 0.434 nan 8.230 nan 0.000 0.433 461 D N 0.030 120.487 120.400 0.094 0.000 2.228 461 D HA -0.225 4.415 4.640 -0.000 0.000 0.203 461 D C 1.851 178.129 176.300 -0.037 0.000 0.988 461 D CA 1.190 55.211 54.000 0.034 0.000 0.864 461 D CB 0.128 40.936 40.800 0.013 0.000 0.928 461 D HN 0.431 nan 8.370 nan 0.000 0.469 462 Q N -0.764 118.970 119.800 -0.110 0.000 2.472 462 Q HA -0.030 4.310 4.340 -0.000 0.000 0.208 462 Q C -0.188 175.412 176.000 -0.666 0.000 0.958 462 Q CA 0.484 56.051 55.803 -0.394 0.000 0.932 462 Q CB 0.149 28.536 28.738 -0.585 0.000 1.007 462 Q HN 0.475 nan 8.270 nan 0.000 0.508 463 Y N -0.293 119.911 120.300 -0.161 0.000 2.524 463 Y HA 0.229 4.779 4.550 -0.000 0.000 0.344 463 Y C -1.508 174.365 175.900 -0.046 0.000 1.012 463 Y CA -2.581 55.404 58.100 -0.190 0.000 1.068 463 Y CB 1.174 39.296 38.460 -0.563 0.000 1.249 463 Y HN -0.186 nan 8.280 nan 0.000 0.468 464 P HA -0.249 nan 4.420 nan 0.000 0.213 464 P C 1.753 179.140 177.300 0.146 0.000 1.176 464 P CA 1.651 64.815 63.100 0.106 0.000 0.919 464 P CB 0.560 32.304 31.700 0.073 0.000 0.791 465 L N -0.552 120.774 121.223 0.171 0.000 2.043 465 L HA -0.157 4.182 4.340 -0.000 0.000 0.212 465 L C 2.695 179.748 176.870 0.304 0.000 1.075 465 L CA 2.323 57.267 54.840 0.174 0.000 0.752 465 L CB -1.452 40.627 42.059 0.032 0.000 0.891 465 L HN 0.073 nan 8.230 nan 0.000 0.432 466 G N -0.391 108.611 108.800 0.337 0.000 2.491 466 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.218 466 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.218 466 G C 1.620 176.677 174.900 0.261 0.000 1.180 466 G CA 0.915 46.196 45.100 0.302 0.000 0.774 466 G HN 0.367 nan 8.290 nan 0.000 0.562 467 R N 0.353 120.962 120.500 0.182 0.000 2.062 467 R HA 0.017 4.357 4.340 -0.000 0.000 0.231 467 R C 2.705 179.066 176.300 0.102 0.000 1.136 467 R CA 1.358 57.523 56.100 0.108 0.000 0.948 467 R CB -0.335 30.003 30.300 0.062 0.000 0.845 467 R HN 0.288 nan 8.270 nan 0.000 0.430 468 K N 0.127 120.621 120.400 0.157 0.000 2.089 468 K HA -0.231 4.089 4.320 -0.000 0.000 0.210 468 K C 1.906 178.591 176.600 0.141 0.000 1.048 468 K CA 1.799 58.205 56.287 0.198 0.000 0.926 468 K CB -0.352 32.333 32.500 0.309 0.000 0.714 468 K HN 0.114 nan 8.250 nan 0.000 0.448 469 F N 1.540 121.512 119.950 0.036 0.000 2.171 469 F HA -0.129 4.398 4.527 -0.000 0.000 0.300 469 F C 1.685 177.257 175.800 -0.379 0.000 1.090 469 F CA 1.251 59.054 58.000 -0.328 0.000 1.293 469 F CB -0.075 38.836 39.000 -0.148 0.000 1.013 469 F HN -0.105 nan 8.300 nan 0.000 0.486 470 L N -0.942 120.142 121.223 -0.232 0.000 2.156 470 L HA -0.150 4.190 4.340 -0.000 0.000 0.208 470 L C 2.306 178.972 176.870 -0.341 0.000 1.095 470 L CA 0.548 55.208 54.840 -0.301 0.000 0.770 470 L CB -0.734 41.290 42.059 -0.058 0.000 0.914 470 L HN 0.007 nan 8.230 nan 0.000 0.439 471 V N -0.228 119.533 119.914 -0.254 0.000 2.223 471 V HA -0.320 3.800 4.120 -0.000 0.000 0.244 471 V C 2.517 178.421 176.094 -0.316 0.000 1.045 471 V CA 2.044 64.218 62.300 -0.211 0.000 1.000 471 V CB -0.687 31.063 31.823 -0.122 0.000 0.635 471 V HN 0.537 nan 8.190 nan 0.000 0.445 472 Q N 0.375 119.908 119.800 -0.445 0.000 2.234 472 Q HA -0.221 4.119 4.340 -0.000 0.000 0.206 472 Q C 2.095 177.741 176.000 -0.590 0.000 0.980 472 Q CA 2.128 57.611 55.803 -0.533 0.000 0.869 472 Q CB -0.300 27.949 28.738 -0.815 0.000 0.912 472 Q HN 0.629 nan 8.270 nan 0.000 0.436 473 A N -0.613 121.755 122.820 -0.752 0.000 2.067 473 A HA 0.130 4.450 4.320 -0.000 0.000 0.219 473 A C 1.695 179.070 177.584 -0.349 0.000 1.158 473 A CA 1.791 53.459 52.037 -0.616 0.000 0.661 473 A CB -0.359 18.193 19.000 -0.746 0.000 0.801 473 A HN 0.654 nan 8.150 nan 0.000 0.452 474 G N -0.936 107.686 108.800 -0.297 0.000 2.784 474 G HA2 -0.216 3.743 3.960 -0.000 0.000 0.204 474 G HA3 -0.216 3.743 3.960 -0.000 0.000 0.204 474 G C 0.504 175.315 174.900 -0.149 0.000 1.300 474 G CA -0.093 44.895 45.100 -0.187 0.000 0.863 474 G HN 1.150 nan 8.290 nan 0.000 0.541 475 L N 0.000 121.138 121.223 -0.142 0.000 2.949 475 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 475 L CA 0.000 54.781 54.840 -0.098 0.000 0.813 475 L CB 0.000 42.014 42.059 -0.074 0.000 0.961 475 L HN 0.000 nan 8.230 nan 0.000 0.502