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 1otc_1_A DATA FIRST_RESID 37 DATA SEQUENCE EYVELAKASL TSAQPQHFYA VVIDATFPYK TNQERYICSL KIVDPTLYLK DATA SEQUENCE QQKGAGDASD YATLVLYAKR FEDLPIIHRA GDIIRVHRAT LRLYNGQRQF DATA SEQUENCE NANVFYSSSW ALFSTDKRSV TQEINNQDAV SDTTPFSFSS KHATIEKNEI DATA SEQUENCE SILQNLRKWA NQYFSSYSVI SSDMYTALNK AQAQKGDFDV VAKILQVHEL DATA SEQUENCE DEYTNELKLK DASGQVFYTL SLKLKFPHVR TGEVVRIRSA TYDETSTQKK DATA SEQUENCE VLILSHYSNI ITFIQSSKLA KELRAKIQDD HSVEVASLKK NVSLNAVVLT DATA SEQUENCE EVDKKHAALP STSLQDLFHH ADSDKELQAQ DTFRTQFYVT KIEPSDVKEW DATA SEQUENCE VKGYDRKTKK SSSLKGASGK GDNIFQVQFL VKDASTQLNN NTYRVLLYTQ DATA SEQUENCE DGLGANFFNV KADNLHKNAD ARKKLEDSAE LLTKFNSYVD AVVERRNGFY DATA SEQUENCE LIKDTKLIY 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 37 E HA 0.000 nan 4.350 nan 0.000 0.291 37 E C 0.000 176.460 176.600 -0.233 0.000 1.382 37 E CA 0.000 56.263 56.400 -0.228 0.000 0.976 37 E CB 0.000 29.636 29.700 -0.107 0.000 0.812 38 Y N 1.464 121.853 120.300 0.149 0.000 2.365 38 Y HA 0.446 4.996 4.550 0.000 0.000 0.340 38 Y C 0.674 176.661 175.900 0.145 0.000 1.016 38 Y CA -0.700 57.519 58.100 0.198 0.000 1.196 38 Y CB 0.882 39.490 38.460 0.247 0.000 1.167 38 Y HN 0.120 nan 8.280 nan 0.000 0.509 39 V N 3.078 123.179 119.914 0.311 0.000 2.997 39 V HA 0.288 4.409 4.120 0.002 0.000 0.311 39 V C -0.002 176.207 176.094 0.193 0.000 1.066 39 V CA -1.298 61.124 62.300 0.203 0.000 1.039 39 V CB 1.423 33.353 31.823 0.178 0.000 1.081 39 V HN 0.654 nan 8.190 nan 0.000 0.467 40 E N 1.431 121.690 120.200 0.098 0.000 2.191 40 E HA 0.358 4.709 4.350 0.002 0.000 0.278 40 E C 0.662 177.265 176.600 0.005 0.000 0.972 40 E CA -0.532 55.886 56.400 0.029 0.000 0.804 40 E CB 1.809 31.505 29.700 -0.007 0.000 1.110 40 E HN 0.484 nan 8.360 nan 0.000 0.394 41 L N 1.569 122.742 121.223 -0.083 0.000 2.034 41 L HA -0.336 4.005 4.340 0.002 0.000 0.217 41 L C 2.238 179.148 176.870 0.066 0.000 1.077 41 L CA 1.963 56.772 54.840 -0.051 0.000 0.769 41 L CB -0.602 41.376 42.059 -0.135 0.000 0.890 41 L HN 0.647 nan 8.230 nan 0.000 0.435 42 A N -0.515 122.313 122.820 0.014 0.000 2.016 42 A HA -0.106 4.215 4.320 0.002 0.000 0.217 42 A C 2.061 179.653 177.584 0.013 0.000 1.162 42 A CA 1.052 53.095 52.037 0.010 0.000 0.662 42 A CB -0.157 18.837 19.000 -0.009 0.000 0.812 42 A HN 0.368 nan 8.150 nan 0.000 0.450 43 K N 0.039 120.452 120.400 0.022 0.000 2.387 43 K HA 0.372 4.694 4.320 0.002 0.000 0.198 43 K C 0.346 176.970 176.600 0.041 0.000 1.022 43 K CA 0.178 56.479 56.287 0.023 0.000 1.128 43 K CB 0.353 32.864 32.500 0.018 0.000 0.853 43 K HN 0.381 nan 8.250 nan 0.000 0.523 44 A N 1.514 124.378 122.820 0.072 0.000 2.440 44 A HA 0.102 4.423 4.320 0.002 0.000 0.251 44 A C 0.207 177.809 177.584 0.030 0.000 1.089 44 A CA -0.106 51.990 52.037 0.100 0.000 0.779 44 A CB 0.534 19.676 19.000 0.237 0.000 1.022 44 A HN 0.148 nan 8.150 nan 0.000 0.492 45 S N 1.755 117.469 115.700 0.023 0.000 2.498 45 S HA 0.194 4.665 4.470 0.002 0.000 0.281 45 S C 0.915 175.495 174.600 -0.034 0.000 1.265 45 S CA -0.413 57.784 58.200 -0.006 0.000 1.071 45 S CB -0.322 62.877 63.200 -0.001 0.000 0.894 45 S HN 0.558 nan 8.310 nan 0.000 0.491 46 L N 4.455 125.650 121.223 -0.047 0.000 2.591 46 L HA 0.083 4.424 4.340 0.002 0.000 0.228 46 L C 1.780 178.623 176.870 -0.046 0.000 1.133 46 L CA 0.451 55.252 54.840 -0.066 0.000 0.880 46 L CB -0.161 41.859 42.059 -0.064 0.000 1.033 46 L HN 0.660 nan 8.230 nan 0.000 0.450 47 T N -2.351 112.184 114.554 -0.031 0.000 3.058 47 T HA 0.016 4.367 4.350 0.002 0.000 0.247 47 T C 0.924 175.614 174.700 -0.016 0.000 0.987 47 T CA 0.262 62.349 62.100 -0.022 0.000 1.062 47 T CB 0.198 69.055 68.868 -0.018 0.000 1.048 47 T HN 0.317 nan 8.240 nan 0.000 0.468 48 S N 2.339 118.031 115.700 -0.013 0.000 2.629 48 S HA 0.318 4.789 4.470 0.002 0.000 0.302 48 S C 1.379 175.976 174.600 -0.004 0.000 1.244 48 S CA -0.046 58.149 58.200 -0.008 0.000 1.098 48 S CB 0.738 63.934 63.200 -0.008 0.000 0.858 48 S HN 0.426 nan 8.310 nan 0.000 0.502 49 A N 2.620 125.440 122.820 -0.001 0.000 2.216 49 A HA 0.002 4.324 4.320 0.002 0.000 0.214 49 A C 1.232 178.824 177.584 0.013 0.000 1.160 49 A CA 0.478 52.519 52.037 0.006 0.000 0.725 49 A CB -0.438 18.566 19.000 0.006 0.000 0.784 49 A HN 0.927 nan 8.150 nan 0.000 0.472 50 Q N 0.995 120.798 119.800 0.004 0.000 2.286 50 Q HA 0.209 4.551 4.340 0.002 0.000 0.267 50 Q C -2.470 173.527 176.000 -0.006 0.000 1.028 50 Q CA -1.979 53.823 55.803 -0.002 0.000 0.901 50 Q CB 0.448 29.174 28.738 -0.019 0.000 1.183 50 Q HN 0.156 nan 8.270 nan 0.000 0.392 51 P HA -0.085 nan 4.420 nan 0.000 0.264 51 P C -1.267 175.962 177.300 -0.118 0.000 1.183 51 P CA 0.566 63.678 63.100 0.021 0.000 0.763 51 P CB 0.540 32.285 31.700 0.075 0.000 0.807 52 Q N 1.754 121.538 119.800 -0.027 0.000 2.301 52 Q HA 0.422 4.764 4.340 0.002 0.000 0.267 52 Q C -0.362 175.646 176.000 0.013 0.000 1.035 52 Q CA -0.796 54.944 55.803 -0.106 0.000 0.856 52 Q CB 1.602 30.434 28.738 0.156 0.000 1.337 52 Q HN 0.557 nan 8.270 nan 0.000 0.450 53 H N 1.146 120.351 119.070 0.224 0.000 2.621 53 H HA 0.678 5.236 4.556 0.003 0.000 0.360 53 H C -0.689 174.916 175.328 0.461 0.000 1.163 53 H CA -0.716 55.473 56.048 0.235 0.000 1.194 53 H CB 1.122 30.944 29.762 0.099 0.000 1.649 53 H HN 0.642 nan 8.280 nan 0.000 0.532 54 F N -1.002 119.225 119.950 0.462 0.000 2.807 54 F HA 0.539 5.068 4.527 0.003 0.000 0.316 54 F C -2.286 173.551 175.800 0.062 0.000 1.162 54 F CA -1.251 56.913 58.000 0.273 0.000 0.910 54 F CB 1.148 40.157 39.000 0.016 0.000 1.314 54 F HN 0.262 nan 8.300 nan 0.000 0.454 55 Y N 1.060 121.460 120.300 0.167 0.000 2.446 55 Y HA 0.863 5.414 4.550 0.002 0.000 0.345 55 Y C -0.003 175.990 175.900 0.155 0.000 0.984 55 Y CA -0.370 57.728 58.100 -0.004 0.000 1.058 55 Y CB 2.120 40.468 38.460 -0.187 0.000 1.220 55 Y HN 1.079 nan 8.280 nan 0.000 0.455 56 A N 1.510 124.489 122.820 0.265 0.000 2.599 56 A HA 0.790 5.111 4.320 0.002 0.000 0.290 56 A C -2.050 175.664 177.584 0.217 0.000 1.101 56 A CA -0.739 51.427 52.037 0.215 0.000 0.674 56 A CB 0.976 20.114 19.000 0.229 0.000 1.277 56 A HN 0.389 nan 8.150 nan 0.000 0.419 57 V N 0.971 121.036 119.914 0.252 0.000 2.398 57 V HA 0.443 4.564 4.120 0.002 0.000 0.286 57 V C -0.113 176.166 176.094 0.308 0.000 1.026 57 V CA -0.591 61.908 62.300 0.333 0.000 0.868 57 V CB 1.363 33.508 31.823 0.536 0.000 0.982 57 V HN 0.637 nan 8.190 nan 0.000 0.443 58 V N 6.575 126.639 119.914 0.251 0.000 2.432 58 V HA 0.256 4.377 4.120 0.002 0.000 0.271 58 V C 1.002 177.256 176.094 0.267 0.000 1.046 58 V CA 0.137 62.555 62.300 0.197 0.000 0.945 58 V CB 1.073 32.959 31.823 0.104 0.000 0.992 58 V HN 0.906 nan 8.190 nan 0.000 0.471 59 I N -0.009 120.709 120.570 0.246 0.000 4.187 59 I HA 0.561 4.732 4.170 0.002 0.000 0.326 59 I C 0.258 176.456 176.117 0.135 0.000 1.302 59 I CA 0.309 61.780 61.300 0.284 0.000 1.196 59 I CB 0.898 39.065 38.000 0.278 0.000 1.095 59 I HN 0.604 nan 8.210 nan 0.000 0.411 60 D N 0.982 121.414 120.400 0.053 0.000 2.654 60 D HA 0.767 5.408 4.640 0.002 0.000 0.231 60 D C -1.544 174.752 176.300 -0.008 0.000 1.239 60 D CA -0.076 53.924 54.000 0.000 0.000 0.790 60 D CB 2.542 43.311 40.800 -0.051 0.000 1.480 60 D HN 0.410 nan 8.370 nan 0.000 0.442 61 A N 0.932 123.751 122.820 -0.001 0.000 2.583 61 A HA 0.623 4.945 4.320 0.002 0.000 0.298 61 A C -0.336 177.274 177.584 0.044 0.000 1.055 61 A CA -0.360 51.677 52.037 -0.001 0.000 0.714 61 A CB 0.811 19.790 19.000 -0.034 0.000 1.277 61 A HN 0.627 nan 8.150 nan 0.000 0.406 62 T N -0.904 113.686 114.554 0.060 0.000 2.847 62 T HA 0.650 5.001 4.350 0.002 0.000 0.279 62 T C -0.056 174.759 174.700 0.192 0.000 0.984 62 T CA -0.339 61.845 62.100 0.141 0.000 0.988 62 T CB 0.591 69.541 68.868 0.137 0.000 1.040 62 T HN 0.959 nan 8.240 nan 0.000 0.528 63 F N 2.276 122.312 119.950 0.144 0.000 2.412 63 F HA 0.443 4.971 4.527 0.002 0.000 0.348 63 F C -2.260 173.679 175.800 0.231 0.000 1.102 63 F CA -2.496 55.596 58.000 0.154 0.000 1.196 63 F CB 0.743 39.856 39.000 0.188 0.000 1.144 63 F HN 0.384 nan 8.300 nan 0.000 0.541 64 P HA -0.010 nan 4.420 nan 0.000 0.258 64 P C -1.663 175.893 177.300 0.427 0.000 1.187 64 P CA 0.758 63.816 63.100 -0.070 0.000 0.767 64 P CB -0.257 31.118 31.700 -0.542 0.000 0.770 65 Y N 1.463 121.928 120.300 0.274 0.000 2.598 65 Y HA 0.689 5.240 4.550 0.002 0.000 0.340 65 Y C -0.235 175.829 175.900 0.273 0.000 1.038 65 Y CA -1.951 56.361 58.100 0.352 0.000 1.100 65 Y CB 1.401 39.944 38.460 0.138 0.000 1.281 65 Y HN 0.074 nan 8.280 nan 0.000 0.488 66 K N 0.950 121.512 120.400 0.271 0.000 2.138 66 K HA 0.650 4.971 4.320 0.002 0.000 0.263 66 K C -1.135 175.464 176.600 -0.002 0.000 0.965 66 K CA -0.467 55.693 56.287 -0.211 0.000 0.868 66 K CB 1.246 33.541 32.500 -0.342 0.000 1.083 66 K HN 0.965 nan 8.250 nan 0.000 0.443 67 T N 2.092 116.553 114.554 -0.156 0.000 2.932 67 T HA 0.090 4.441 4.350 0.002 0.000 0.289 67 T C 0.730 175.395 174.700 -0.059 0.000 1.039 67 T CA -0.769 61.321 62.100 -0.016 0.000 1.024 67 T CB 1.400 70.255 68.868 -0.021 0.000 1.090 67 T HN 0.663 nan 8.240 nan 0.000 0.496 68 N N 0.753 119.449 118.700 -0.007 0.000 2.519 68 N HA -0.118 4.623 4.740 0.002 0.000 0.186 68 N C 1.590 177.080 175.510 -0.033 0.000 1.062 68 N CA 0.913 53.951 53.050 -0.020 0.000 0.910 68 N CB -0.104 38.385 38.487 0.004 0.000 0.958 68 N HN 0.408 nan 8.380 nan 0.000 0.445 69 Q N 0.318 120.098 119.800 -0.034 0.000 2.508 69 Q HA -0.077 4.264 4.340 0.002 0.000 0.214 69 Q C -0.165 175.799 176.000 -0.060 0.000 0.979 69 Q CA 0.618 56.400 55.803 -0.034 0.000 0.911 69 Q CB 0.040 28.770 28.738 -0.013 0.000 0.969 69 Q HN 0.329 nan 8.270 nan 0.000 0.504 70 E N -0.240 119.907 120.200 -0.089 0.000 3.286 70 E HA -0.165 4.186 4.350 0.002 0.000 0.292 70 E C -0.450 176.097 176.600 -0.088 0.000 0.928 70 E CA 0.707 57.051 56.400 -0.092 0.000 0.982 70 E CB -0.892 28.781 29.700 -0.045 0.000 1.500 70 E HN 0.309 nan 8.360 nan 0.000 0.441 71 R N -0.115 120.313 120.500 -0.120 0.000 2.664 71 R HA 0.506 4.847 4.340 0.002 0.000 0.286 71 R C -0.269 175.939 176.300 -0.152 0.000 0.967 71 R CA -0.654 55.430 56.100 -0.026 0.000 0.933 71 R CB 0.696 31.030 30.300 0.058 0.000 1.146 71 R HN -0.078 nan 8.270 nan 0.000 0.468 72 Y N 1.985 122.285 120.300 -0.001 0.000 2.328 72 Y HA 0.449 5.000 4.550 0.002 0.000 0.337 72 Y C 0.556 176.334 175.900 -0.203 0.000 0.966 72 Y CA -0.411 57.639 58.100 -0.083 0.000 1.136 72 Y CB 1.263 39.725 38.460 0.004 0.000 1.170 72 Y HN 0.316 nan 8.280 nan 0.000 0.470 73 I N 3.081 123.424 120.570 -0.378 0.000 2.460 73 I HA 0.437 4.608 4.170 0.002 0.000 0.298 73 I C -0.705 175.171 176.117 -0.401 0.000 0.989 73 I CA -0.774 60.216 61.300 -0.515 0.000 1.173 73 I CB 1.596 39.199 38.000 -0.662 0.000 1.338 73 I HN 0.555 nan 8.210 nan 0.000 0.456 74 C N 4.615 123.747 119.300 -0.281 0.000 2.505 74 C HA 0.556 5.017 4.460 0.002 0.000 0.342 74 C C -0.224 174.681 174.990 -0.141 0.000 1.121 74 C CA -0.274 58.648 59.018 -0.160 0.000 1.306 74 C CB 0.690 28.280 27.740 -0.250 0.000 1.897 74 C HN 0.806 nan 8.230 nan 0.000 0.446 75 S N 5.864 121.541 115.700 -0.037 0.000 2.449 75 S HA 0.887 5.358 4.470 0.002 0.000 0.310 75 S C -0.746 173.843 174.600 -0.018 0.000 1.096 75 S CA -0.517 57.666 58.200 -0.028 0.000 1.095 75 S CB 0.436 63.641 63.200 0.009 0.000 1.007 75 S HN 0.811 nan 8.310 nan 0.000 0.474 76 L N 2.207 123.423 121.223 -0.013 0.000 2.393 76 L HA 0.712 5.053 4.340 0.002 0.000 0.260 76 L C -0.934 175.953 176.870 0.029 0.000 1.002 76 L CA -1.220 53.615 54.840 -0.007 0.000 0.818 76 L CB 1.832 43.870 42.059 -0.034 0.000 1.369 76 L HN 0.365 nan 8.230 nan 0.000 0.412 77 K N 3.297 123.694 120.400 -0.004 0.000 2.281 77 K HA 0.578 4.899 4.320 0.002 0.000 0.272 77 K C -0.679 175.974 176.600 0.088 0.000 1.048 77 K CA -0.359 55.919 56.287 -0.015 0.000 0.898 77 K CB 1.423 33.721 32.500 -0.337 0.000 1.128 77 K HN 0.610 nan 8.250 nan 0.000 0.460 78 I N -0.459 120.205 120.570 0.158 0.000 2.577 78 I HA 0.641 4.812 4.170 0.002 0.000 0.305 78 I C -0.430 175.803 176.117 0.193 0.000 0.986 78 I CA -1.097 60.301 61.300 0.164 0.000 1.189 78 I CB 1.489 39.559 38.000 0.116 0.000 1.355 78 I HN 0.102 nan 8.210 nan 0.000 0.476 79 V N 3.150 123.185 119.914 0.201 0.000 3.012 79 V HA 0.510 4.631 4.120 0.002 0.000 0.307 79 V C -1.228 174.904 176.094 0.063 0.000 1.166 79 V CA -0.383 62.033 62.300 0.192 0.000 0.974 79 V CB 2.229 34.252 31.823 0.333 0.000 1.040 79 V HN 1.067 nan 8.190 nan 0.000 0.428 80 D N 2.737 123.044 120.400 -0.156 0.000 2.626 80 D HA 0.454 5.096 4.640 0.002 0.000 0.278 80 D C -2.673 173.056 176.300 -0.953 0.000 1.211 80 D CA -1.853 51.806 54.000 -0.568 0.000 0.903 80 D CB 1.812 42.427 40.800 -0.310 0.000 1.408 80 D HN 0.180 nan 8.370 nan 0.000 0.454 81 P HA -0.076 nan 4.420 nan 0.000 0.227 81 P C 0.993 178.142 177.300 -0.251 0.000 1.145 81 P CA 2.070 64.494 63.100 -1.127 0.000 0.769 81 P CB 0.063 31.171 31.700 -0.986 0.000 0.769 82 T N -5.740 108.725 114.554 -0.148 0.000 2.990 82 T HA 0.223 4.574 4.350 0.002 0.000 0.249 82 T C 0.274 175.002 174.700 0.047 0.000 1.039 82 T CA -0.056 62.043 62.100 -0.001 0.000 1.036 82 T CB -0.086 68.755 68.868 -0.045 0.000 0.994 82 T HN -0.098 nan 8.240 nan 0.000 0.489 83 L N 2.003 123.271 121.223 0.074 0.000 2.457 83 L HA 0.542 4.884 4.340 0.002 0.000 0.266 83 L C -0.658 176.315 176.870 0.172 0.000 0.979 83 L CA -1.068 53.802 54.840 0.050 0.000 0.857 83 L CB 1.421 43.491 42.059 0.019 0.000 1.213 83 L HN 0.357 nan 8.230 nan 0.000 0.418 84 Y N 3.505 123.791 120.300 -0.023 0.000 2.466 84 Y HA 0.555 5.105 4.550 -0.000 0.000 0.285 84 Y C -0.910 174.999 175.900 0.015 0.000 1.088 84 Y CA -0.637 57.455 58.100 -0.014 0.000 1.039 84 Y CB 0.071 38.434 38.460 -0.162 0.000 1.363 84 Y HN 0.274 nan 8.280 nan 0.000 0.570 85 L N 1.688 122.631 121.223 -0.468 0.000 2.319 85 L HA 0.556 4.898 4.340 0.002 0.000 0.267 85 L C 1.049 177.795 176.870 -0.206 0.000 1.011 85 L CA -0.907 53.760 54.840 -0.288 0.000 0.818 85 L CB 1.636 43.455 42.059 -0.401 0.000 1.316 85 L HN -0.120 nan 8.230 nan 0.000 0.432 86 K N 0.694 121.029 120.400 -0.109 0.000 2.385 86 K HA -0.260 4.061 4.320 0.002 0.000 0.202 86 K C 0.825 177.363 176.600 -0.102 0.000 1.044 86 K CA 1.233 57.468 56.287 -0.088 0.000 0.933 86 K CB -0.277 32.194 32.500 -0.049 0.000 0.744 86 K HN 0.622 nan 8.250 nan 0.000 0.479 87 Q N -0.766 118.955 119.800 -0.132 0.000 2.362 87 Q HA -0.256 4.085 4.340 0.002 0.000 0.220 87 Q C 0.779 176.736 176.000 -0.072 0.000 0.713 87 Q CA 1.899 57.633 55.803 -0.114 0.000 1.345 87 Q CB -1.554 27.120 28.738 -0.107 0.000 1.570 87 Q HN 0.607 nan 8.270 nan 0.000 0.701 88 Q N -0.984 118.781 119.800 -0.058 0.000 2.304 88 Q HA 0.278 4.619 4.340 0.002 0.000 0.204 88 Q C 0.320 176.305 176.000 -0.025 0.000 0.936 88 Q CA 0.925 56.706 55.803 -0.037 0.000 0.878 88 Q CB 0.747 29.466 28.738 -0.030 0.000 0.983 88 Q HN 0.254 nan 8.270 nan 0.000 0.516 89 K N -2.455 117.932 120.400 -0.022 0.000 2.999 89 K HA 0.144 4.466 4.320 0.002 0.000 0.295 89 K C -0.093 176.517 176.600 0.016 0.000 1.082 89 K CA 0.065 56.352 56.287 -0.001 0.000 0.816 89 K CB 0.046 32.551 32.500 0.008 0.000 1.492 89 K HN 0.052 nan 8.250 nan 0.000 0.362 90 G N 0.411 109.241 108.800 0.049 0.000 2.443 90 G HA2 -0.132 3.830 3.960 0.002 0.000 0.219 90 G HA3 -0.132 3.830 3.960 0.002 0.000 0.219 90 G C 1.222 176.179 174.900 0.095 0.000 1.131 90 G CA 1.118 46.279 45.100 0.101 0.000 0.775 90 G HN 0.597 nan 8.290 nan 0.000 0.547 91 A N 0.744 123.598 122.820 0.057 0.000 1.978 91 A HA 0.212 4.533 4.320 0.002 0.000 0.220 91 A C 2.099 179.710 177.584 0.045 0.000 1.170 91 A CA 1.389 53.454 52.037 0.046 0.000 0.636 91 A CB -0.617 18.399 19.000 0.027 0.000 0.810 91 A HN 0.567 nan 8.150 nan 0.000 0.448 92 G N -0.122 108.698 108.800 0.034 0.000 3.102 92 G HA2 0.231 4.192 3.960 0.002 0.000 0.264 92 G HA3 0.231 4.192 3.960 0.002 0.000 0.264 92 G C 0.450 175.376 174.900 0.044 0.000 0.788 92 G CA 0.363 45.478 45.100 0.025 0.000 2.029 92 G HN 0.356 nan 8.290 nan 0.000 0.608 93 D N 2.605 123.049 120.400 0.073 0.000 2.271 93 D HA -0.125 4.517 4.640 0.002 0.000 0.207 93 D C 1.850 178.201 176.300 0.085 0.000 0.983 93 D CA 0.710 54.777 54.000 0.111 0.000 0.878 93 D CB 0.105 40.976 40.800 0.119 0.000 0.920 93 D HN 0.410 nan 8.370 nan 0.000 0.479 94 A N 0.985 123.845 122.820 0.067 0.000 2.515 94 A HA 0.108 4.429 4.320 0.002 0.000 0.276 94 A C 0.612 178.252 177.584 0.093 0.000 1.104 94 A CA 0.407 52.492 52.037 0.080 0.000 0.822 94 A CB -0.489 18.544 19.000 0.056 0.000 1.016 94 A HN 0.268 nan 8.150 nan 0.000 0.530 95 S N 2.859 118.650 115.700 0.151 0.000 2.515 95 S HA 0.203 4.674 4.470 0.002 0.000 0.285 95 S C -0.128 174.620 174.600 0.247 0.000 1.265 95 S CA -0.433 57.892 58.200 0.209 0.000 1.079 95 S CB 0.667 64.042 63.200 0.292 0.000 0.877 95 S HN 0.695 nan 8.310 nan 0.000 0.493 96 D N 2.069 122.531 120.400 0.103 0.000 2.304 96 D HA 0.480 5.121 4.640 0.002 0.000 0.247 96 D C -0.396 175.960 176.300 0.092 0.000 1.089 96 D CA -0.166 53.813 54.000 -0.036 0.000 0.910 96 D CB 0.396 41.132 40.800 -0.107 0.000 1.199 96 D HN 0.692 nan 8.370 nan 0.000 0.426 97 Y N -0.250 120.094 120.300 0.075 0.000 2.705 97 Y HA 0.741 5.292 4.550 0.003 0.000 0.332 97 Y C -1.372 174.583 175.900 0.093 0.000 1.221 97 Y CA -1.608 56.551 58.100 0.098 0.000 1.059 97 Y CB 0.587 39.122 38.460 0.126 0.000 1.298 97 Y HN 0.348 nan 8.280 nan 0.000 0.459 98 A N 0.651 123.672 122.820 0.334 0.000 2.340 98 A HA 0.663 4.984 4.320 0.002 0.000 0.331 98 A C -0.667 177.142 177.584 0.375 0.000 1.140 98 A CA -0.503 51.705 52.037 0.285 0.000 0.801 98 A CB 1.209 20.368 19.000 0.265 0.000 1.234 98 A HN 0.865 nan 8.150 nan 0.000 0.469 99 T N 1.927 116.685 114.554 0.340 0.000 2.758 99 T HA 0.488 4.840 4.350 0.002 0.000 0.285 99 T C -0.928 173.932 174.700 0.266 0.000 0.981 99 T CA -0.345 61.930 62.100 0.291 0.000 0.965 99 T CB -0.019 69.012 68.868 0.271 0.000 0.927 99 T HN 0.734 nan 8.240 nan 0.000 0.448 100 L N 7.186 128.538 121.223 0.214 0.000 2.282 100 L HA 0.730 5.071 4.340 0.002 0.000 0.288 100 L C -1.133 175.800 176.870 0.104 0.000 1.033 100 L CA -0.348 54.621 54.840 0.216 0.000 0.807 100 L CB 1.305 43.484 42.059 0.200 0.000 1.209 100 L HN 0.457 nan 8.230 nan 0.000 0.423 101 V N 6.717 126.693 119.914 0.103 0.000 2.378 101 V HA 0.448 4.569 4.120 0.002 0.000 0.288 101 V C -0.076 175.975 176.094 -0.072 0.000 1.016 101 V CA -0.559 61.716 62.300 -0.042 0.000 0.840 101 V CB 1.349 33.147 31.823 -0.042 0.000 0.994 101 V HN 0.619 nan 8.190 nan 0.000 0.431 102 L N 5.389 126.489 121.223 -0.205 0.000 2.295 102 L HA 0.607 4.949 4.340 0.002 0.000 0.285 102 L C -1.075 175.643 176.870 -0.255 0.000 1.035 102 L CA -0.498 54.270 54.840 -0.121 0.000 0.806 102 L CB 1.327 43.309 42.059 -0.129 0.000 1.214 102 L HN 0.517 nan 8.230 nan 0.000 0.426 103 Y N 1.730 122.092 120.300 0.103 0.000 2.393 103 Y HA 0.786 5.336 4.550 0.001 0.000 0.341 103 Y C 0.198 176.327 175.900 0.382 0.000 0.988 103 Y CA -0.648 57.587 58.100 0.226 0.000 1.078 103 Y CB 2.164 40.820 38.460 0.326 0.000 1.203 103 Y HN 0.620 nan 8.280 nan 0.000 0.453 104 A N 1.961 125.099 122.820 0.529 0.000 2.609 104 A HA 0.607 4.928 4.320 0.002 0.000 0.291 104 A C -0.390 177.410 177.584 0.359 0.000 1.096 104 A CA -1.009 51.334 52.037 0.509 0.000 0.684 104 A CB 1.579 20.749 19.000 0.283 0.000 1.282 104 A HN 0.817 nan 8.150 nan 0.000 0.412 105 K N -0.261 120.288 120.400 0.249 0.000 2.361 105 K HA 0.170 4.491 4.320 0.002 0.000 0.194 105 K C 0.059 176.811 176.600 0.254 0.000 1.032 105 K CA 0.599 56.992 56.287 0.177 0.000 1.048 105 K CB 0.380 32.892 32.500 0.020 0.000 0.842 105 K HN 0.552 nan 8.250 nan 0.000 0.526 106 R N -0.451 120.094 120.500 0.075 0.000 2.744 106 R HA 0.189 4.531 4.340 0.002 0.000 0.279 106 R C -0.026 175.928 176.300 -0.576 0.000 0.977 106 R CA -0.534 55.428 56.100 -0.231 0.000 0.906 106 R CB 0.885 31.134 30.300 -0.084 0.000 1.197 106 R HN -0.088 nan 8.270 nan 0.000 0.463 107 F N 2.196 121.467 119.950 -1.131 0.000 2.171 107 F HA -0.136 4.393 4.527 0.003 0.000 0.300 107 F C 1.352 176.943 175.800 -0.348 0.000 1.090 107 F CA 1.810 59.309 58.000 -0.836 0.000 1.293 107 F CB 0.356 38.998 39.000 -0.596 0.000 1.013 107 F HN 0.589 nan 8.300 nan 0.000 0.486 108 E N 0.088 120.174 120.200 -0.191 0.000 2.338 108 E HA -0.154 4.197 4.350 0.002 0.000 0.197 108 E C 1.465 177.971 176.600 -0.157 0.000 1.007 108 E CA 1.110 57.410 56.400 -0.166 0.000 0.849 108 E CB -0.435 29.231 29.700 -0.056 0.000 0.774 108 E HN 0.448 nan 8.360 nan 0.000 0.506 109 D N -0.331 119.995 120.400 -0.123 0.000 2.349 109 D HA 0.044 4.685 4.640 0.002 0.000 0.215 109 D C 0.178 176.622 176.300 0.240 0.000 1.016 109 D CA 0.285 54.300 54.000 0.024 0.000 0.870 109 D CB 0.358 41.186 40.800 0.047 0.000 0.917 109 D HN 0.188 nan 8.370 nan 0.000 0.524 110 L N 2.015 123.214 121.223 -0.040 0.000 2.334 110 L HA 0.358 4.700 4.340 0.002 0.000 0.275 110 L C -2.186 174.413 176.870 -0.451 0.000 1.036 110 L CA -1.934 52.777 54.840 -0.215 0.000 0.807 110 L CB 1.634 43.472 42.059 -0.369 0.000 1.231 110 L HN -0.254 nan 8.230 nan 0.000 0.438 111 P HA 0.226 nan 4.420 nan 0.000 0.279 111 P C -0.819 176.074 177.300 -0.678 0.000 1.239 111 P CA -0.151 62.310 63.100 -1.065 0.000 0.789 111 P CB 1.223 31.952 31.700 -1.618 0.000 0.933 112 I N 4.350 124.602 120.570 -0.529 0.000 2.307 112 I HA 0.203 4.374 4.170 0.002 0.000 0.287 112 I C 0.514 176.366 176.117 -0.441 0.000 1.054 112 I CA -0.765 60.215 61.300 -0.534 0.000 1.218 112 I CB 0.621 38.310 38.000 -0.518 0.000 1.398 112 I HN 0.104 nan 8.210 nan 0.000 0.475 113 I N 6.916 127.296 120.570 -0.317 0.000 2.294 113 I HA 0.067 4.238 4.170 0.002 0.000 0.295 113 I C 1.138 177.203 176.117 -0.087 0.000 1.098 113 I CA 0.123 61.323 61.300 -0.166 0.000 1.277 113 I CB 0.172 38.112 38.000 -0.100 0.000 1.434 113 I HN 0.575 nan 8.210 nan 0.000 0.498 114 H N 5.325 124.372 119.070 -0.037 0.000 2.486 114 H HA 0.281 4.839 4.556 0.002 0.000 0.287 114 H C 0.785 176.108 175.328 -0.009 0.000 1.010 114 H CA 0.586 56.556 56.048 -0.129 0.000 1.324 114 H CB 0.650 30.178 29.762 -0.389 0.000 1.446 114 H HN 0.417 nan 8.280 nan 0.000 0.537 115 R N 0.193 120.750 120.500 0.095 0.000 2.778 115 R HA 0.640 4.981 4.340 0.002 0.000 0.277 115 R C -0.874 175.415 176.300 -0.018 0.000 0.977 115 R CA -0.741 55.368 56.100 0.016 0.000 0.950 115 R CB 2.180 32.486 30.300 0.010 0.000 1.165 115 R HN 0.105 nan 8.270 nan 0.000 0.474 116 A N 0.361 123.130 122.820 -0.085 0.000 2.317 116 A HA 0.611 4.933 4.320 0.002 0.000 0.327 116 A C 0.683 178.218 177.584 -0.082 0.000 1.178 116 A CA 0.295 52.339 52.037 0.012 0.000 0.817 116 A CB 1.182 20.210 19.000 0.047 0.000 1.189 116 A HN 0.864 nan 8.150 nan 0.000 0.489 117 G N 1.615 110.392 108.800 -0.039 0.000 2.316 117 G HA2 -0.152 3.810 3.960 0.002 0.000 0.203 117 G HA3 -0.152 3.810 3.960 0.002 0.000 0.203 117 G C -0.036 174.840 174.900 -0.041 0.000 0.999 117 G CA 0.112 44.980 45.100 -0.386 0.000 0.649 117 G HN 0.719 nan 8.290 nan 0.000 0.489 118 D N 0.615 121.047 120.400 0.052 0.000 2.361 118 D HA 0.471 5.112 4.640 0.002 0.000 0.239 118 D C 0.864 177.282 176.300 0.198 0.000 1.200 118 D CA 0.290 54.385 54.000 0.159 0.000 0.915 118 D CB 0.874 41.812 40.800 0.229 0.000 1.170 118 D HN 0.348 nan 8.370 nan 0.000 0.444 119 I N 1.496 122.212 120.570 0.244 0.000 2.392 119 I HA 0.341 4.513 4.170 0.002 0.000 0.295 119 I C 0.212 176.449 176.117 0.200 0.000 0.985 119 I CA -0.670 60.774 61.300 0.241 0.000 1.221 119 I CB 1.587 39.753 38.000 0.277 0.000 1.366 119 I HN 0.117 nan 8.210 nan 0.000 0.467 120 I N 6.131 126.770 120.570 0.115 0.000 2.603 120 I HA 0.472 4.643 4.170 0.002 0.000 0.300 120 I C -0.533 175.507 176.117 -0.128 0.000 1.017 120 I CA -0.747 60.560 61.300 0.012 0.000 1.098 120 I CB 1.577 39.558 38.000 -0.032 0.000 1.279 120 I HN 0.620 nan 8.210 nan 0.000 0.437 121 R N 7.109 127.464 120.500 -0.241 0.000 2.422 121 R HA 0.567 4.909 4.340 0.002 0.000 0.307 121 R C -2.130 173.877 176.300 -0.488 0.000 1.004 121 R CA -0.488 55.257 56.100 -0.592 0.000 0.882 121 R CB 1.444 31.280 30.300 -0.773 0.000 1.164 121 R HN 0.491 nan 8.270 nan 0.000 0.489 122 V N 4.236 123.763 119.914 -0.645 0.000 2.532 122 V HA 0.376 4.497 4.120 0.002 0.000 0.295 122 V C -0.141 175.833 176.094 -0.200 0.000 1.041 122 V CA -0.520 61.477 62.300 -0.506 0.000 0.926 122 V CB 1.551 32.913 31.823 -0.769 0.000 0.992 122 V HN 0.794 nan 8.190 nan 0.000 0.457 123 H N 3.744 122.729 119.070 -0.141 0.000 2.538 123 H HA 0.534 5.091 4.556 0.002 0.000 0.353 123 H C -0.237 175.142 175.328 0.086 0.000 1.109 123 H CA -1.084 54.922 56.048 -0.069 0.000 1.192 123 H CB 1.128 30.758 29.762 -0.219 0.000 1.555 123 H HN 0.592 nan 8.280 nan 0.000 0.518 124 R N 0.703 121.489 120.500 0.477 0.000 3.209 124 R HA -0.156 4.185 4.340 0.002 0.000 0.252 124 R C -1.058 175.379 176.300 0.229 0.000 0.958 124 R CA 0.319 56.603 56.100 0.306 0.000 0.651 124 R CB -1.471 28.917 30.300 0.148 0.000 1.142 124 R HN 0.543 nan 8.270 nan 0.000 0.441 125 A N 0.749 123.738 122.820 0.281 0.000 2.304 125 A HA 0.518 4.839 4.320 0.002 0.000 0.323 125 A C 0.273 178.056 177.584 0.333 0.000 1.195 125 A CA -0.235 52.004 52.037 0.337 0.000 0.826 125 A CB 1.647 20.946 19.000 0.499 0.000 1.184 125 A HN 0.207 nan 8.150 nan 0.000 0.496 126 T N 2.374 117.077 114.554 0.248 0.000 2.806 126 T HA 0.463 4.814 4.350 0.002 0.000 0.290 126 T C -0.458 174.300 174.700 0.098 0.000 0.966 126 T CA -0.260 61.931 62.100 0.151 0.000 1.060 126 T CB -0.041 68.883 68.868 0.093 0.000 0.927 126 T HN 0.613 nan 8.240 nan 0.000 0.485 127 L N 5.601 126.805 121.223 -0.032 0.000 2.307 127 L HA 0.704 5.045 4.340 0.002 0.000 0.282 127 L C 0.003 176.765 176.870 -0.181 0.000 1.051 127 L CA -0.196 54.472 54.840 -0.287 0.000 0.804 127 L CB 1.087 42.863 42.059 -0.471 0.000 1.197 127 L HN 0.756 nan 8.230 nan 0.000 0.431 128 R N 3.728 124.113 120.500 -0.190 0.000 2.799 128 R HA 0.602 4.944 4.340 0.002 0.000 0.270 128 R C -2.010 174.248 176.300 -0.069 0.000 1.010 128 R CA -0.942 55.108 56.100 -0.083 0.000 0.916 128 R CB 1.588 31.878 30.300 -0.016 0.000 1.228 128 R HN 0.577 nan 8.270 nan 0.000 0.469 129 L N 3.186 124.401 121.223 -0.013 0.000 2.276 129 L HA 0.383 4.724 4.340 0.002 0.000 0.286 129 L C -1.529 175.400 176.870 0.098 0.000 1.024 129 L CA -0.383 54.463 54.840 0.010 0.000 0.826 129 L CB 0.929 42.975 42.059 -0.021 0.000 1.211 129 L HN 0.545 nan 8.230 nan 0.000 0.422 130 Y N 5.374 125.658 120.300 -0.026 0.000 2.388 130 Y HA 0.357 4.908 4.550 0.001 0.000 0.328 130 Y C 0.456 176.355 175.900 -0.002 0.000 0.963 130 Y CA -0.851 57.248 58.100 -0.002 0.000 1.240 130 Y CB 0.528 39.001 38.460 0.022 0.000 1.118 130 Y HN 0.719 nan 8.280 nan 0.000 0.484 131 N N 4.736 123.222 118.700 -0.357 0.000 2.705 131 N HA -0.228 4.513 4.740 0.002 0.000 0.255 131 N C 0.995 176.418 175.510 -0.146 0.000 1.008 131 N CA 1.580 54.443 53.050 -0.312 0.000 0.742 131 N CB -1.054 37.144 38.487 -0.482 0.000 0.906 131 N HN 1.299 nan 8.380 nan 0.000 0.541 132 G N -0.853 107.891 108.800 -0.094 0.000 2.284 132 G HA2 -0.350 3.611 3.960 0.002 0.000 0.247 132 G HA3 -0.350 3.611 3.960 0.002 0.000 0.247 132 G C -0.025 174.840 174.900 -0.058 0.000 1.012 132 G CA 0.826 45.884 45.100 -0.071 0.000 0.618 132 G HN 0.775 nan 8.290 nan 0.000 0.521 133 Q N 0.009 119.790 119.800 -0.031 0.000 2.257 133 Q HA 0.763 5.104 4.340 0.002 0.000 0.262 133 Q C -0.278 175.726 176.000 0.008 0.000 0.997 133 Q CA -1.106 54.684 55.803 -0.022 0.000 0.873 133 Q CB 1.373 30.104 28.738 -0.011 0.000 1.312 133 Q HN 0.366 nan 8.270 nan 0.000 0.450 134 R N 1.684 122.174 120.500 -0.016 0.000 2.242 134 R HA 0.088 4.429 4.340 0.002 0.000 0.334 134 R C -0.513 175.770 176.300 -0.029 0.000 1.071 134 R CA -0.099 55.958 56.100 -0.070 0.000 0.922 134 R CB 0.591 30.841 30.300 -0.084 0.000 1.023 134 R HN 0.555 nan 8.270 nan 0.000 0.458 135 Q N 4.181 123.940 119.800 -0.069 0.000 2.347 135 Q HA 0.232 4.573 4.340 0.002 0.000 0.262 135 Q C -1.267 174.689 176.000 -0.073 0.000 0.980 135 Q CA -0.587 55.229 55.803 0.022 0.000 0.867 135 Q CB 0.732 29.513 28.738 0.072 0.000 1.242 135 Q HN 0.417 nan 8.270 nan 0.000 0.453 136 F N 3.026 123.029 119.950 0.089 0.000 2.411 136 F HA 0.376 4.902 4.527 -0.001 0.000 0.350 136 F C 0.559 176.458 175.800 0.165 0.000 1.114 136 F CA -0.424 57.659 58.000 0.138 0.000 1.135 136 F CB 0.976 40.094 39.000 0.197 0.000 1.120 136 F HN 0.425 nan 8.300 nan 0.000 0.495 137 N N 2.183 121.068 118.700 0.309 0.000 2.370 137 N HA 0.775 5.516 4.740 0.002 0.000 0.303 137 N C -1.208 174.469 175.510 0.277 0.000 1.103 137 N CA -0.618 52.604 53.050 0.287 0.000 0.848 137 N CB 2.234 40.850 38.487 0.215 0.000 1.235 137 N HN 0.611 nan 8.380 nan 0.000 0.496 138 A N 1.711 124.703 122.820 0.287 0.000 2.437 138 A HA 0.403 4.724 4.320 0.002 0.000 0.293 138 A C -1.296 176.384 177.584 0.160 0.000 1.038 138 A CA -0.880 51.276 52.037 0.198 0.000 0.708 138 A CB 0.833 19.940 19.000 0.179 0.000 1.251 138 A HN 0.577 nan 8.150 nan 0.000 0.409 139 N N 2.632 121.300 118.700 -0.053 0.000 2.609 139 N HA 0.226 4.967 4.740 0.002 0.000 0.234 139 N C 1.236 176.445 175.510 -0.503 0.000 1.001 139 N CA -0.120 52.628 53.050 -0.504 0.000 0.926 139 N CB 1.667 39.618 38.487 -0.892 0.000 1.130 139 N HN 0.765 nan 8.380 nan 0.000 0.510 140 V N -0.005 119.784 119.914 -0.208 0.000 3.241 140 V HA -0.088 4.033 4.120 0.002 0.000 0.269 140 V C 1.249 177.332 176.094 -0.018 0.000 1.151 140 V CA 1.065 63.336 62.300 -0.048 0.000 1.158 140 V CB -1.322 30.576 31.823 0.125 0.000 0.764 140 V HN 0.420 nan 8.190 nan 0.000 0.508 141 F N -0.911 119.116 119.950 0.129 0.000 2.317 141 F HA 0.231 4.760 4.527 0.003 0.000 0.293 141 F C 2.207 178.089 175.800 0.137 0.000 1.085 141 F CA 0.545 58.612 58.000 0.111 0.000 1.390 141 F CB -1.219 37.853 39.000 0.120 0.000 1.077 141 F HN 0.173 nan 8.300 nan 0.000 0.517 142 Y N 2.105 122.284 120.300 -0.203 0.000 2.170 142 Y HA 0.050 4.601 4.550 0.001 0.000 0.280 142 Y C 2.379 178.246 175.900 -0.056 0.000 1.097 142 Y CA 1.823 59.890 58.100 -0.055 0.000 1.087 142 Y CB -0.583 37.803 38.460 -0.123 0.000 1.016 142 Y HN 0.137 nan 8.280 nan 0.000 0.485 143 S N -2.071 113.333 115.700 -0.495 0.000 2.692 143 S HA 0.286 4.757 4.470 0.002 0.000 0.269 143 S C 0.549 175.024 174.600 -0.208 0.000 1.080 143 S CA -0.043 57.857 58.200 -0.501 0.000 1.058 143 S CB -0.561 62.178 63.200 -0.768 0.000 0.982 143 S HN 0.165 nan 8.310 nan 0.000 0.534 144 S N 2.826 118.452 115.700 -0.123 0.000 2.573 144 S HA 0.585 5.056 4.470 0.002 0.000 0.277 144 S C 0.118 174.689 174.600 -0.048 0.000 1.346 144 S CA 0.156 58.337 58.200 -0.031 0.000 1.034 144 S CB 0.781 63.994 63.200 0.021 0.000 0.879 144 S HN 0.910 nan 8.310 nan 0.000 0.528 145 S N 1.628 117.306 115.700 -0.037 0.000 2.550 145 S HA 0.788 5.260 4.470 0.002 0.000 0.270 145 S C -1.383 173.121 174.600 -0.160 0.000 1.145 145 S CA -1.156 56.941 58.200 -0.172 0.000 0.852 145 S CB 1.368 64.442 63.200 -0.210 0.000 1.119 145 S HN 0.921 nan 8.310 nan 0.000 0.465 146 W N -0.011 121.155 121.300 -0.223 0.000 3.029 146 W HA 0.860 5.521 4.660 0.001 0.000 0.339 146 W C -1.490 174.861 176.519 -0.280 0.000 1.198 146 W CA -1.237 55.936 57.345 -0.287 0.000 1.148 146 W CB 1.364 30.682 29.460 -0.236 0.000 1.451 146 W HN 1.214 nan 8.180 nan 0.000 0.564 147 A N 2.604 125.452 122.820 0.046 0.000 2.437 147 A HA 0.647 4.968 4.320 0.002 0.000 0.293 147 A C -1.759 175.717 177.584 -0.180 0.000 1.038 147 A CA -0.807 51.148 52.037 -0.137 0.000 0.708 147 A CB 1.260 20.060 19.000 -0.334 0.000 1.251 147 A HN 0.648 nan 8.150 nan 0.000 0.409 148 L N 2.550 123.565 121.223 -0.348 0.000 2.264 148 L HA 0.525 4.866 4.340 0.002 0.000 0.289 148 L C -1.136 175.193 176.870 -0.901 0.000 1.044 148 L CA -0.189 54.312 54.840 -0.566 0.000 0.807 148 L CB 0.725 42.309 42.059 -0.791 0.000 1.192 148 L HN 0.673 nan 8.230 nan 0.000 0.425 149 F N 1.088 120.925 119.950 -0.188 0.000 2.469 149 F HA 0.318 4.847 4.527 0.003 0.000 0.332 149 F C 0.694 176.692 175.800 0.331 0.000 1.103 149 F CA -0.450 57.588 58.000 0.064 0.000 0.979 149 F CB 1.998 41.053 39.000 0.093 0.000 1.137 149 F HN 0.294 nan 8.300 nan 0.000 0.463 150 S N 0.988 117.067 115.700 0.633 0.000 2.523 150 S HA 0.191 4.662 4.470 0.002 0.000 0.275 150 S C 0.891 175.646 174.600 0.259 0.000 1.281 150 S CA -0.415 58.043 58.200 0.430 0.000 1.050 150 S CB 0.824 64.159 63.200 0.225 0.000 0.937 150 S HN 0.748 nan 8.310 nan 0.000 0.492 151 T N 3.693 118.350 114.554 0.172 0.000 3.014 151 T HA 0.071 4.423 4.350 0.002 0.000 0.263 151 T C 0.329 175.068 174.700 0.064 0.000 1.078 151 T CA 0.607 62.773 62.100 0.109 0.000 1.135 151 T CB -0.102 68.801 68.868 0.059 0.000 0.895 151 T HN 0.566 nan 8.240 nan 0.000 0.480 152 D N 0.445 120.869 120.400 0.040 0.000 2.437 152 D HA 0.228 4.870 4.640 0.002 0.000 0.259 152 D C 1.174 177.491 176.300 0.029 0.000 1.118 152 D CA -0.475 53.536 54.000 0.018 0.000 1.017 152 D CB 1.086 41.880 40.800 -0.011 0.000 1.120 152 D HN -0.051 nan 8.370 nan 0.000 0.541 153 K N 0.052 120.463 120.400 0.019 0.000 2.020 153 K HA -0.155 4.167 4.320 0.002 0.000 0.212 153 K C 0.140 176.749 176.600 0.015 0.000 1.050 153 K CA 1.382 57.682 56.287 0.023 0.000 0.929 153 K CB 0.261 32.769 32.500 0.014 0.000 0.714 153 K HN 0.229 nan 8.250 nan 0.000 0.443 154 R N 0.347 120.839 120.500 -0.014 0.000 2.740 154 R HA 0.177 4.519 4.340 0.002 0.000 0.282 154 R C -0.507 175.725 176.300 -0.114 0.000 0.969 154 R CA -0.581 55.490 56.100 -0.047 0.000 0.918 154 R CB 2.012 32.287 30.300 -0.041 0.000 1.175 154 R HN 0.216 nan 8.270 nan 0.000 0.464 155 S N 0.309 115.872 115.700 -0.229 0.000 2.645 155 S HA 0.097 4.568 4.470 0.002 0.000 0.266 155 S C 1.368 175.786 174.600 -0.304 0.000 1.258 155 S CA -0.874 57.049 58.200 -0.461 0.000 0.990 155 S CB 1.145 63.640 63.200 -1.176 0.000 0.967 155 S HN 0.300 nan 8.310 nan 0.000 0.556 156 V N 1.619 121.366 119.914 -0.279 0.000 2.282 156 V HA -0.204 3.918 4.120 0.002 0.000 0.249 156 V C 2.780 178.812 176.094 -0.104 0.000 1.057 156 V CA 2.635 64.859 62.300 -0.126 0.000 1.032 156 V CB -1.705 30.087 31.823 -0.052 0.000 0.645 156 V HN 1.040 nan 8.190 nan 0.000 0.447 157 T N 0.701 115.181 114.554 -0.124 0.000 2.674 157 T HA -0.243 4.109 4.350 0.002 0.000 0.265 157 T C 1.591 176.256 174.700 -0.058 0.000 1.039 157 T CA 1.766 63.833 62.100 -0.056 0.000 1.150 157 T CB -0.376 68.483 68.868 -0.016 0.000 0.864 157 T HN 0.800 nan 8.240 nan 0.000 0.427 158 Q N 0.776 120.521 119.800 -0.092 0.000 2.387 158 Q HA 0.160 4.501 4.340 0.002 0.000 0.211 158 Q C 1.440 177.410 176.000 -0.051 0.000 0.952 158 Q CA 0.554 56.324 55.803 -0.056 0.000 0.957 158 Q CB -0.007 28.701 28.738 -0.049 0.000 1.002 158 Q HN 0.569 nan 8.270 nan 0.000 0.502 159 E N 0.488 120.655 120.200 -0.056 0.000 2.364 159 E HA 0.103 4.454 4.350 0.002 0.000 0.203 159 E C 1.564 178.150 176.600 -0.024 0.000 0.888 159 E CA -0.011 56.365 56.400 -0.040 0.000 0.989 159 E CB 0.340 30.010 29.700 -0.050 0.000 0.985 159 E HN 0.431 nan 8.360 nan 0.000 0.499 160 I N 1.551 122.107 120.570 -0.022 0.000 2.333 160 I HA -0.139 4.032 4.170 0.002 0.000 0.246 160 I C 1.375 177.488 176.117 -0.006 0.000 1.106 160 I CA 0.576 61.869 61.300 -0.011 0.000 1.411 160 I CB -0.122 37.873 38.000 -0.008 0.000 1.082 160 I HN 0.035 nan 8.210 nan 0.000 0.420 161 N N 1.503 120.198 118.700 -0.007 0.000 2.571 161 N HA -0.125 4.616 4.740 0.002 0.000 0.189 161 N C 0.388 175.897 175.510 -0.002 0.000 1.154 161 N CA 0.417 53.465 53.050 -0.003 0.000 0.907 161 N CB -0.584 37.903 38.487 -0.001 0.000 0.977 161 N HN 0.271 nan 8.380 nan 0.000 0.449 162 N N 0.985 119.682 118.700 -0.005 0.000 2.725 162 N HA -0.214 4.528 4.740 0.002 0.000 0.249 162 N C -0.867 174.643 175.510 -0.001 0.000 1.103 162 N CA 0.539 53.587 53.050 -0.003 0.000 0.707 162 N CB -1.224 37.264 38.487 0.001 0.000 1.043 162 N HN 0.473 nan 8.380 nan 0.000 0.553 163 Q N -0.032 119.766 119.800 -0.004 0.000 2.340 163 Q HA 0.228 4.569 4.340 0.002 0.000 0.249 163 Q C -0.541 175.460 176.000 0.002 0.000 0.957 163 Q CA -0.199 55.604 55.803 0.001 0.000 0.882 163 Q CB 0.754 29.492 28.738 0.001 0.000 1.235 163 Q HN 0.225 nan 8.270 nan 0.000 0.439 164 D N 0.576 120.980 120.400 0.008 0.000 2.303 164 D HA 0.489 5.130 4.640 0.002 0.000 0.236 164 D C -1.688 174.623 176.300 0.018 0.000 1.068 164 D CA -0.344 53.663 54.000 0.011 0.000 0.830 164 D CB 1.114 41.920 40.800 0.011 0.000 1.109 164 D HN 0.544 nan 8.370 nan 0.000 0.496 165 A N 3.502 126.335 122.820 0.021 0.000 2.457 165 A HA 0.433 4.754 4.320 0.002 0.000 0.283 165 A C -0.164 177.444 177.584 0.040 0.000 1.166 165 A CA -0.618 51.440 52.037 0.034 0.000 0.740 165 A CB 1.005 20.030 19.000 0.042 0.000 1.181 165 A HN 0.361 nan 8.150 nan 0.000 0.446 166 V N 1.478 121.416 119.914 0.040 0.000 3.271 166 V HA 0.091 4.212 4.120 0.002 0.000 0.327 166 V C 0.770 176.894 176.094 0.051 0.000 1.389 166 V CA 0.370 62.694 62.300 0.041 0.000 1.156 166 V CB 0.082 31.924 31.823 0.031 0.000 1.103 166 V HN 0.691 nan 8.190 nan 0.000 0.453 167 S N 1.868 117.606 115.700 0.062 0.000 2.642 167 S HA 0.186 4.658 4.470 0.002 0.000 0.309 167 S C 0.720 175.380 174.600 0.101 0.000 1.125 167 S CA -0.418 57.826 58.200 0.074 0.000 1.055 167 S CB 0.326 63.570 63.200 0.073 0.000 1.157 167 S HN 0.445 nan 8.310 nan 0.000 0.513 168 D N 1.581 122.038 120.400 0.095 0.000 2.371 168 D HA -0.046 4.596 4.640 0.002 0.000 0.221 168 D C 1.565 177.957 176.300 0.154 0.000 0.986 168 D CA 0.783 54.854 54.000 0.117 0.000 0.899 168 D CB 0.174 41.023 40.800 0.082 0.000 0.902 168 D HN 0.463 nan 8.370 nan 0.000 0.530 169 T N -0.835 113.808 114.554 0.148 0.000 3.040 169 T HA 0.006 4.357 4.350 0.002 0.000 0.250 169 T C 0.563 175.434 174.700 0.285 0.000 1.058 169 T CA 0.038 62.246 62.100 0.180 0.000 0.988 169 T CB 0.186 69.116 68.868 0.102 0.000 0.993 169 T HN -0.057 nan 8.240 nan 0.000 0.519 170 T N 4.054 118.742 114.554 0.223 0.000 2.799 170 T HA 0.522 4.873 4.350 0.002 0.000 0.286 170 T C -2.768 171.975 174.700 0.073 0.000 0.973 170 T CA -1.960 60.230 62.100 0.150 0.000 1.035 170 T CB 1.286 70.211 68.868 0.095 0.000 0.932 170 T HN 0.102 nan 8.240 nan 0.000 0.469 171 P HA 0.192 nan 4.420 nan 0.000 0.280 171 P C 0.478 177.680 177.300 -0.165 0.000 1.244 171 P CA -0.519 62.203 63.100 -0.629 0.000 0.784 171 P CB 0.499 31.548 31.700 -1.086 0.000 0.913 172 F N 0.182 120.067 119.950 -0.109 0.000 2.661 172 F HA 0.299 4.827 4.527 0.002 0.000 0.298 172 F C 0.597 176.358 175.800 -0.065 0.000 1.137 172 F CA -0.358 57.619 58.000 -0.039 0.000 1.454 172 F CB -0.112 38.875 39.000 -0.021 0.000 1.103 172 F HN 0.233 nan 8.300 nan 0.000 0.577 173 S N 0.176 115.645 115.700 -0.385 0.000 2.563 173 S HA 0.583 5.054 4.470 0.002 0.000 0.279 173 S C -1.299 173.150 174.600 -0.251 0.000 1.155 173 S CA -0.938 57.077 58.200 -0.307 0.000 0.928 173 S CB 0.332 63.461 63.200 -0.118 0.000 1.107 173 S HN 0.319 nan 8.310 nan 0.000 0.462 174 F N 1.807 121.472 119.950 -0.475 0.000 2.613 174 F HA 0.618 5.146 4.527 0.002 0.000 0.310 174 F C 1.158 176.205 175.800 -1.255 0.000 1.085 174 F CA -0.483 56.975 58.000 -0.902 0.000 0.945 174 F CB 0.643 39.273 39.000 -0.616 0.000 1.298 174 F HN 0.458 nan 8.300 nan 0.000 0.455 175 S N 0.910 115.567 115.700 -1.738 0.000 2.377 175 S HA -0.140 4.332 4.470 0.002 0.000 0.224 175 S C 1.001 175.269 174.600 -0.554 0.000 1.042 175 S CA 1.377 58.770 58.200 -1.345 0.000 1.086 175 S CB -1.210 61.175 63.200 -1.358 0.000 0.995 175 S HN 0.970 nan 8.310 nan 0.000 0.428 176 S N 1.130 116.633 115.700 -0.329 0.000 2.647 176 S HA 0.470 4.941 4.470 0.002 0.000 0.284 176 S C 0.672 175.233 174.600 -0.064 0.000 1.134 176 S CA -0.921 57.178 58.200 -0.167 0.000 1.027 176 S CB 0.580 63.703 63.200 -0.129 0.000 1.180 176 S HN 0.355 nan 8.310 nan 0.000 0.521 177 K N -0.014 120.320 120.400 -0.110 0.000 2.365 177 K HA 0.085 4.407 4.320 0.002 0.000 0.199 177 K C 0.045 176.409 176.600 -0.393 0.000 1.045 177 K CA 0.916 57.065 56.287 -0.230 0.000 0.962 177 K CB -0.170 32.143 32.500 -0.312 0.000 0.759 177 K HN 0.492 nan 8.250 nan 0.000 0.469 178 H N -1.372 117.701 119.070 0.006 0.000 2.851 178 H HA 0.484 5.041 4.556 0.002 0.000 0.372 178 H C -1.298 173.810 175.328 -0.366 0.000 1.158 178 H CA -0.995 54.967 56.048 -0.143 0.000 1.159 178 H CB 2.157 31.852 29.762 -0.111 0.000 1.757 178 H HN -0.028 nan 8.280 nan 0.000 0.546 179 A N 2.219 124.756 122.820 -0.471 0.000 2.353 179 A HA 0.543 4.864 4.320 0.002 0.000 0.299 179 A C -0.448 176.952 177.584 -0.307 0.000 1.089 179 A CA -0.643 51.044 52.037 -0.584 0.000 0.736 179 A CB 0.911 19.170 19.000 -1.235 0.000 1.195 179 A HN 0.549 nan 8.150 nan 0.000 0.447 180 T N 2.533 116.992 114.554 -0.158 0.000 2.859 180 T HA 0.668 5.019 4.350 0.002 0.000 0.281 180 T C -0.349 174.356 174.700 0.009 0.000 1.005 180 T CA -0.031 62.029 62.100 -0.067 0.000 1.025 180 T CB 0.695 69.539 68.868 -0.040 0.000 0.977 180 T HN 0.453 nan 8.240 nan 0.000 0.458 181 I N 2.508 123.095 120.570 0.029 0.000 2.497 181 I HA 0.301 4.472 4.170 0.002 0.000 0.284 181 I C -0.286 175.869 176.117 0.062 0.000 1.060 181 I CA -0.870 60.481 61.300 0.086 0.000 1.071 181 I CB 1.951 40.021 38.000 0.115 0.000 1.216 181 I HN 0.431 nan 8.210 nan 0.000 0.442 182 E N 4.644 124.891 120.200 0.077 0.000 2.374 182 E HA 0.231 4.583 4.350 0.002 0.000 0.260 182 E C 0.799 177.422 176.600 0.038 0.000 1.101 182 E CA -0.302 56.128 56.400 0.049 0.000 0.907 182 E CB 0.823 30.555 29.700 0.053 0.000 1.014 182 E HN 0.242 nan 8.360 nan 0.000 0.427 183 K N 1.557 121.969 120.400 0.020 0.000 2.360 183 K HA -0.076 4.245 4.320 0.002 0.000 0.201 183 K C 0.795 177.395 176.600 0.001 0.000 1.046 183 K CA 0.653 56.945 56.287 0.008 0.000 0.945 183 K CB -0.024 32.478 32.500 0.004 0.000 0.750 183 K HN 0.373 nan 8.250 nan 0.000 0.464 184 N N 1.191 119.899 118.700 0.014 0.000 2.300 184 N HA -0.098 4.643 4.740 0.002 0.000 0.179 184 N C 1.454 176.960 175.510 -0.007 0.000 1.016 184 N CA 0.765 53.822 53.050 0.011 0.000 0.876 184 N CB 0.060 38.565 38.487 0.031 0.000 0.979 184 N HN 0.427 nan 8.380 nan 0.000 0.432 185 E N 0.994 121.199 120.200 0.007 0.000 2.150 185 E HA -0.030 4.322 4.350 0.002 0.000 0.193 185 E C 1.952 178.421 176.600 -0.218 0.000 0.985 185 E CA 0.315 56.659 56.400 -0.092 0.000 0.814 185 E CB -0.047 29.660 29.700 0.010 0.000 0.752 185 E HN 0.348 nan 8.360 nan 0.000 0.466 186 I N 1.645 122.143 120.570 -0.121 0.000 2.145 186 I HA -0.355 3.816 4.170 0.002 0.000 0.244 186 I C 2.720 178.753 176.117 -0.140 0.000 1.075 186 I CA 1.606 62.835 61.300 -0.118 0.000 1.332 186 I CB -0.605 37.364 38.000 -0.052 0.000 1.033 186 I HN 0.169 nan 8.210 nan 0.000 0.410 187 S N 1.227 116.856 115.700 -0.118 0.000 2.368 187 S HA -0.157 4.314 4.470 0.002 0.000 0.225 187 S C 1.975 176.478 174.600 -0.162 0.000 1.030 187 S CA 1.091 59.227 58.200 -0.106 0.000 0.999 187 S CB -0.882 62.275 63.200 -0.072 0.000 0.844 187 S HN 0.432 nan 8.310 nan 0.000 0.459 188 I N 1.049 121.465 120.570 -0.256 0.000 2.142 188 I HA -0.127 4.044 4.170 0.002 0.000 0.240 188 I C 2.586 178.438 176.117 -0.442 0.000 1.078 188 I CA 1.172 62.244 61.300 -0.380 0.000 1.343 188 I CB -0.504 37.132 38.000 -0.607 0.000 1.046 188 I HN 0.278 nan 8.210 nan 0.000 0.405 189 L N 0.826 121.724 121.223 -0.540 0.000 1.989 189 L HA -0.263 4.078 4.340 0.002 0.000 0.211 189 L C 2.522 179.286 176.870 -0.176 0.000 1.071 189 L CA 1.956 56.548 54.840 -0.414 0.000 0.749 189 L CB -0.718 41.081 42.059 -0.434 0.000 0.890 189 L HN 0.234 nan 8.230 nan 0.000 0.431 190 Q N -0.947 118.775 119.800 -0.129 0.000 2.291 190 Q HA -0.132 4.209 4.340 0.002 0.000 0.205 190 Q C 1.691 177.682 176.000 -0.016 0.000 0.970 190 Q CA 1.146 56.921 55.803 -0.046 0.000 0.876 190 Q CB -0.150 28.567 28.738 -0.034 0.000 0.935 190 Q HN 0.590 nan 8.270 nan 0.000 0.455 191 N N 0.327 119.002 118.700 -0.042 0.000 2.368 191 N HA -0.061 4.680 4.740 0.002 0.000 0.176 191 N C 1.553 177.096 175.510 0.055 0.000 1.021 191 N CA 0.446 53.497 53.050 0.002 0.000 0.888 191 N CB 0.054 38.523 38.487 -0.031 0.000 0.995 191 N HN 0.133 nan 8.380 nan 0.000 0.437 192 L N 1.669 122.898 121.223 0.010 0.000 2.201 192 L HA 0.023 4.364 4.340 0.002 0.000 0.212 192 L C 2.125 179.123 176.870 0.214 0.000 1.105 192 L CA 1.271 56.164 54.840 0.088 0.000 0.775 192 L CB -0.158 41.904 42.059 0.006 0.000 0.913 192 L HN -0.008 nan 8.230 nan 0.000 0.440 193 R N -0.670 119.911 120.500 0.136 0.000 2.062 193 R HA -0.109 4.232 4.340 0.002 0.000 0.229 193 R C 2.208 178.601 176.300 0.154 0.000 1.128 193 R CA 1.443 57.629 56.100 0.143 0.000 0.960 193 R CB -0.207 30.148 30.300 0.090 0.000 0.855 193 R HN 0.323 nan 8.270 nan 0.000 0.432 194 K N -0.465 120.017 120.400 0.136 0.000 2.063 194 K HA -0.229 4.092 4.320 0.002 0.000 0.208 194 K C 1.783 178.485 176.600 0.169 0.000 1.048 194 K CA 1.701 58.063 56.287 0.125 0.000 0.928 194 K CB -0.248 32.315 32.500 0.105 0.000 0.713 194 K HN 0.266 nan 8.250 nan 0.000 0.442 195 W N 1.390 122.719 121.300 0.048 0.000 2.381 195 W HA -0.162 4.499 4.660 0.003 0.000 0.301 195 W C 2.225 178.832 176.519 0.148 0.000 1.205 195 W CA 1.916 59.294 57.345 0.054 0.000 1.285 195 W CB -0.251 29.204 29.460 -0.007 0.000 1.133 195 W HN 0.078 nan 8.180 nan 0.000 0.521 196 A N 0.658 123.680 122.820 0.337 0.000 1.877 196 A HA -0.264 4.057 4.320 0.002 0.000 0.216 196 A C 1.935 179.642 177.584 0.205 0.000 1.186 196 A CA 1.956 54.178 52.037 0.309 0.000 0.620 196 A CB -1.116 18.091 19.000 0.346 0.000 0.822 196 A HN 0.453 nan 8.150 nan 0.000 0.443 197 N N -0.756 118.010 118.700 0.110 0.000 2.223 197 N HA -0.175 4.566 4.740 0.002 0.000 0.185 197 N C 1.944 177.482 175.510 0.048 0.000 1.016 197 N CA 1.582 54.673 53.050 0.068 0.000 0.863 197 N CB -0.212 38.302 38.487 0.046 0.000 0.983 197 N HN 0.774 nan 8.380 nan 0.000 0.429 198 Q N -0.586 119.208 119.800 -0.010 0.000 2.187 198 Q HA -0.120 4.222 4.340 0.002 0.000 0.199 198 Q C 1.848 177.801 176.000 -0.079 0.000 0.957 198 Q CA 0.671 56.442 55.803 -0.054 0.000 0.857 198 Q CB -0.030 28.665 28.738 -0.070 0.000 0.929 198 Q HN 0.327 nan 8.270 nan 0.000 0.453 199 Y N -0.003 120.059 120.300 -0.397 0.000 2.163 199 Y HA -0.185 4.368 4.550 0.005 0.000 0.288 199 Y C 1.344 177.153 175.900 -0.153 0.000 1.136 199 Y CA 1.452 59.268 58.100 -0.473 0.000 1.147 199 Y CB -0.460 37.321 38.460 -1.131 0.000 0.987 199 Y HN 0.124 nan 8.280 nan 0.000 0.509 200 F N 0.130 119.910 119.950 -0.283 0.000 2.325 200 F HA -0.113 4.415 4.527 0.002 0.000 0.299 200 F C 2.763 178.455 175.800 -0.180 0.000 1.090 200 F CA 1.458 59.298 58.000 -0.267 0.000 1.392 200 F CB -0.651 38.277 39.000 -0.120 0.000 1.053 200 F HN 0.184 nan 8.300 nan 0.000 0.521 201 S N -1.517 114.202 115.700 0.031 0.000 2.470 201 S HA -0.067 4.404 4.470 0.002 0.000 0.225 201 S C 1.802 176.348 174.600 -0.092 0.000 1.006 201 S CA 0.751 58.937 58.200 -0.023 0.000 0.934 201 S CB -0.587 62.606 63.200 -0.011 0.000 0.778 201 S HN 0.303 nan 8.310 nan 0.000 0.517 202 S N -1.027 114.595 115.700 -0.131 0.000 2.512 202 S HA 0.391 4.862 4.470 0.002 0.000 0.216 202 S C -0.234 174.090 174.600 -0.461 0.000 1.006 202 S CA -0.609 57.427 58.200 -0.273 0.000 0.915 202 S CB -0.308 62.716 63.200 -0.293 0.000 0.824 202 S HN 0.500 nan 8.310 nan 0.000 0.497 203 Y N 2.018 122.193 120.300 -0.207 0.000 2.512 203 Y HA 0.541 5.092 4.550 0.002 0.000 0.348 203 Y C -0.072 175.620 175.900 -0.347 0.000 0.990 203 Y CA -1.196 56.758 58.100 -0.243 0.000 1.033 203 Y CB 2.000 40.301 38.460 -0.264 0.000 1.259 203 Y HN 0.152 nan 8.280 nan 0.000 0.461 204 S N 0.609 116.271 115.700 -0.065 0.000 2.955 204 S HA 0.216 4.688 4.470 0.002 0.000 0.294 204 S C 0.749 175.243 174.600 -0.177 0.000 1.198 204 S CA -0.610 57.503 58.200 -0.146 0.000 1.008 204 S CB -0.102 63.060 63.200 -0.064 0.000 1.279 204 S HN 0.548 nan 8.310 nan 0.000 0.508 205 V N 2.485 122.150 119.914 -0.415 0.000 2.250 205 V HA -0.181 3.940 4.120 0.002 0.000 0.253 205 V C 1.367 177.413 176.094 -0.080 0.000 1.065 205 V CA 1.435 63.477 62.300 -0.431 0.000 1.039 205 V CB -0.668 30.649 31.823 -0.845 0.000 0.647 205 V HN 0.792 nan 8.190 nan 0.000 0.446 206 I N 2.392 122.962 120.570 -0.001 0.000 2.278 206 I HA 0.125 4.297 4.170 0.002 0.000 0.300 206 I C 0.949 177.192 176.117 0.210 0.000 1.174 206 I CA 0.199 61.583 61.300 0.140 0.000 1.347 206 I CB -0.825 37.284 38.000 0.182 0.000 1.473 206 I HN 0.379 nan 8.210 nan 0.000 0.595 207 S N 3.490 119.305 115.700 0.192 0.000 2.587 207 S HA 0.122 4.593 4.470 0.002 0.000 0.260 207 S C 1.471 176.184 174.600 0.188 0.000 1.353 207 S CA -0.475 57.831 58.200 0.177 0.000 0.995 207 S CB 0.793 64.063 63.200 0.118 0.000 0.912 207 S HN 0.547 nan 8.310 nan 0.000 0.568 208 S N 1.515 117.229 115.700 0.023 0.000 2.387 208 S HA -0.161 4.310 4.470 0.002 0.000 0.230 208 S C 1.673 176.049 174.600 -0.374 0.000 1.035 208 S CA 1.516 59.541 58.200 -0.291 0.000 1.014 208 S CB -0.703 62.398 63.200 -0.164 0.000 0.836 208 S HN 0.938 nan 8.310 nan 0.000 0.466 209 D N 1.632 121.957 120.400 -0.126 0.000 2.312 209 D HA -0.114 4.528 4.640 0.002 0.000 0.211 209 D C 1.333 177.630 176.300 -0.006 0.000 0.964 209 D CA 0.549 54.509 54.000 -0.067 0.000 0.877 209 D CB -0.318 40.484 40.800 0.002 0.000 0.924 209 D HN 0.556 nan 8.370 nan 0.000 0.515 210 M N -0.638 119.001 119.600 0.064 0.000 2.551 210 M HA 0.317 4.798 4.480 0.002 0.000 0.252 210 M C -0.817 175.653 176.300 0.283 0.000 1.219 210 M CA -0.639 54.764 55.300 0.171 0.000 0.978 210 M CB -0.457 32.261 32.600 0.197 0.000 1.533 210 M HN -0.016 nan 8.290 nan 0.000 0.474 211 Y N -3.061 117.289 120.300 0.083 0.000 2.662 211 Y HA 0.683 5.234 4.550 0.002 0.000 0.334 211 Y C -1.489 174.464 175.900 0.089 0.000 1.185 211 Y CA -1.311 56.847 58.100 0.097 0.000 1.074 211 Y CB 0.599 39.112 38.460 0.088 0.000 1.330 211 Y HN -0.045 nan 8.280 nan 0.000 0.458 212 T N 2.355 117.070 114.554 0.269 0.000 2.829 212 T HA 0.774 5.126 4.350 0.002 0.000 0.280 212 T C -0.030 174.753 174.700 0.139 0.000 0.999 212 T CA -0.240 61.918 62.100 0.098 0.000 0.983 212 T CB 1.368 70.246 68.868 0.015 0.000 0.968 212 T HN 0.979 nan 8.240 nan 0.000 0.446 213 A N 2.710 125.553 122.820 0.039 0.000 2.462 213 A HA 0.376 4.698 4.320 0.002 0.000 0.243 213 A C 1.490 179.066 177.584 -0.013 0.000 1.076 213 A CA -0.347 51.726 52.037 0.061 0.000 0.773 213 A CB -0.162 18.854 19.000 0.027 0.000 1.010 213 A HN 1.006 nan 8.150 nan 0.000 0.493 214 L N 1.255 122.494 121.223 0.027 0.000 2.191 214 L HA -0.202 4.140 4.340 0.002 0.000 0.212 214 L C 1.974 178.896 176.870 0.088 0.000 1.103 214 L CA 1.529 56.365 54.840 -0.007 0.000 0.769 214 L CB -0.576 41.552 42.059 0.116 0.000 0.908 214 L HN 0.962 nan 8.230 nan 0.000 0.438 215 N N -0.681 118.065 118.700 0.076 0.000 2.521 215 N HA -0.134 4.607 4.740 0.002 0.000 0.188 215 N C 1.217 176.716 175.510 -0.020 0.000 1.146 215 N CA 0.715 53.807 53.050 0.069 0.000 0.893 215 N CB -0.131 38.385 38.487 0.049 0.000 0.975 215 N HN 0.204 nan 8.380 nan 0.000 0.451 216 K N -0.332 120.010 120.400 -0.097 0.000 2.358 216 K HA 0.343 4.664 4.320 0.002 0.000 0.200 216 K C 1.419 177.824 176.600 -0.325 0.000 1.030 216 K CA 0.320 56.502 56.287 -0.175 0.000 1.097 216 K CB 0.520 32.923 32.500 -0.162 0.000 0.862 216 K HN 0.209 nan 8.250 nan 0.000 0.534 217 A N 2.474 125.062 122.820 -0.385 0.000 1.903 217 A HA -0.273 4.049 4.320 0.002 0.000 0.219 217 A C 2.120 179.363 177.584 -0.569 0.000 1.191 217 A CA 1.963 53.622 52.037 -0.630 0.000 0.638 217 A CB -0.557 18.233 19.000 -0.350 0.000 0.823 217 A HN 0.519 nan 8.150 nan 0.000 0.451 218 Q N -1.146 118.264 119.800 -0.650 0.000 2.515 218 Q HA 0.340 4.682 4.340 0.002 0.000 0.212 218 Q C 1.462 177.222 176.000 -0.401 0.000 0.970 218 Q CA 0.894 56.174 55.803 -0.873 0.000 0.941 218 Q CB -0.279 27.909 28.738 -0.918 0.000 0.998 218 Q HN 0.527 nan 8.270 nan 0.000 0.518 219 A N 0.201 122.842 122.820 -0.299 0.000 2.220 219 A HA 0.078 4.399 4.320 0.002 0.000 0.211 219 A C 0.556 178.052 177.584 -0.147 0.000 1.176 219 A CA -0.190 51.736 52.037 -0.184 0.000 0.834 219 A CB 0.303 19.213 19.000 -0.151 0.000 0.868 219 A HN 0.191 nan 8.150 nan 0.000 0.488 220 Q N 0.510 120.197 119.800 -0.188 0.000 2.314 220 Q HA 0.207 4.548 4.340 0.002 0.000 0.258 220 Q C 0.210 176.207 176.000 -0.004 0.000 0.954 220 Q CA 0.029 55.772 55.803 -0.100 0.000 0.890 220 Q CB 1.151 29.800 28.738 -0.148 0.000 1.210 220 Q HN 0.396 nan 8.270 nan 0.000 0.410 221 K N 0.689 121.105 120.400 0.027 0.000 2.209 221 K HA -0.103 4.218 4.320 0.002 0.000 0.204 221 K C 0.960 177.619 176.600 0.099 0.000 1.048 221 K CA 1.236 57.555 56.287 0.053 0.000 0.940 221 K CB 0.287 32.815 32.500 0.046 0.000 0.729 221 K HN 0.790 nan 8.250 nan 0.000 0.451 222 G N 0.061 108.945 108.800 0.140 0.000 2.818 222 G HA2 -0.071 3.890 3.960 0.002 0.000 0.109 222 G HA3 -0.071 3.890 3.960 0.002 0.000 0.109 222 G C -1.520 173.548 174.900 0.280 0.000 1.206 222 G CA -0.670 44.544 45.100 0.189 0.000 1.243 222 G HN 0.072 nan 8.290 nan 0.000 0.609 223 D N 0.926 121.445 120.400 0.199 0.000 2.730 223 D HA 0.376 5.017 4.640 0.002 0.000 0.225 223 D C -0.365 176.086 176.300 0.252 0.000 1.107 223 D CA 0.894 54.989 54.000 0.158 0.000 0.837 223 D CB -0.271 40.595 40.800 0.110 0.000 1.171 223 D HN 0.512 nan 8.370 nan 0.000 0.498 224 F N 0.271 120.253 119.950 0.053 0.000 2.693 224 F HA 0.486 5.014 4.527 0.002 0.000 0.309 224 F C -1.256 174.572 175.800 0.046 0.000 1.129 224 F CA -1.219 56.807 58.000 0.043 0.000 0.948 224 F CB 0.987 40.002 39.000 0.024 0.000 1.315 224 F HN -0.019 nan 8.300 nan 0.000 0.447 225 D N 1.193 121.716 120.400 0.204 0.000 2.268 225 D HA 0.637 5.278 4.640 0.002 0.000 0.249 225 D C -1.161 175.287 176.300 0.246 0.000 1.008 225 D CA -0.499 53.569 54.000 0.114 0.000 0.939 225 D CB 2.299 43.192 40.800 0.155 0.000 1.170 225 D HN 0.692 nan 8.370 nan 0.000 0.468 226 V N 0.389 120.370 119.914 0.113 0.000 2.777 226 V HA 0.437 4.559 4.120 0.002 0.000 0.306 226 V C -1.651 174.426 176.094 -0.029 0.000 1.112 226 V CA -0.570 61.800 62.300 0.116 0.000 0.917 226 V CB 2.023 33.906 31.823 0.099 0.000 1.018 226 V HN 0.293 nan 8.190 nan 0.000 0.426 227 V N 7.027 126.851 119.914 -0.150 0.000 2.293 227 V HA 0.910 5.031 4.120 0.002 0.000 0.275 227 V C 0.503 176.522 176.094 -0.126 0.000 1.021 227 V CA 0.493 62.655 62.300 -0.229 0.000 0.815 227 V CB 0.646 32.107 31.823 -0.603 0.000 1.025 227 V HN 1.245 nan 8.190 nan 0.000 0.448 228 A N 4.779 127.562 122.820 -0.061 0.000 2.483 228 A HA 0.899 5.220 4.320 0.002 0.000 0.286 228 A C -0.708 176.854 177.584 -0.038 0.000 1.207 228 A CA -0.900 51.112 52.037 -0.042 0.000 0.764 228 A CB 1.859 20.842 19.000 -0.028 0.000 1.341 228 A HN 0.598 nan 8.150 nan 0.000 0.428 229 K N 0.873 121.249 120.400 -0.041 0.000 2.244 229 K HA 0.487 4.808 4.320 0.002 0.000 0.260 229 K C -0.975 175.590 176.600 -0.058 0.000 0.951 229 K CA -0.677 55.584 56.287 -0.044 0.000 0.826 229 K CB 0.721 33.196 32.500 -0.043 0.000 1.108 229 K HN 0.534 nan 8.250 nan 0.000 0.433 230 I N 6.661 127.192 120.570 -0.064 0.000 2.471 230 I HA -0.058 4.113 4.170 0.002 0.000 0.294 230 I C 1.078 177.156 176.117 -0.064 0.000 1.123 230 I CA 0.117 61.374 61.300 -0.071 0.000 1.336 230 I CB -0.211 37.742 38.000 -0.079 0.000 1.430 230 I HN 0.745 nan 8.210 nan 0.000 0.533 231 L N 4.699 125.877 121.223 -0.076 0.000 2.179 231 L HA 0.060 4.401 4.340 0.002 0.000 0.208 231 L C 0.982 177.817 176.870 -0.058 0.000 1.096 231 L CA 1.324 56.116 54.840 -0.080 0.000 0.779 231 L CB -0.315 41.676 42.059 -0.112 0.000 0.922 231 L HN 0.720 nan 8.230 nan 0.000 0.443 232 Q N -1.022 118.752 119.800 -0.043 0.000 2.378 232 Q HA 0.346 4.687 4.340 0.002 0.000 0.262 232 Q C -1.999 174.009 176.000 0.014 0.000 0.978 232 Q CA -0.330 55.468 55.803 -0.008 0.000 0.918 232 Q CB 1.956 30.701 28.738 0.011 0.000 1.415 232 Q HN -0.199 nan 8.270 nan 0.000 0.409 233 V N 3.690 123.615 119.914 0.017 0.000 2.347 233 V HA 0.327 4.449 4.120 0.002 0.000 0.280 233 V C -0.774 175.353 176.094 0.054 0.000 1.021 233 V CA -0.531 61.783 62.300 0.023 0.000 0.847 233 V CB 1.054 32.872 31.823 -0.009 0.000 0.990 233 V HN 0.706 nan 8.190 nan 0.000 0.444 234 H N 3.342 122.377 119.070 -0.059 0.000 2.481 234 H HA 0.380 4.937 4.556 0.002 0.000 0.333 234 H C -0.042 175.214 175.328 -0.119 0.000 1.066 234 H CA -0.671 55.300 56.048 -0.128 0.000 1.209 234 H CB 1.331 30.998 29.762 -0.157 0.000 1.445 234 H HN 0.710 nan 8.280 nan 0.000 0.488 235 E N 5.512 125.387 120.200 -0.542 0.000 1.858 235 E HA 0.020 4.372 4.350 0.002 0.000 0.267 235 E C 0.521 176.706 176.600 -0.692 0.000 1.215 235 E CA -0.243 55.888 56.400 -0.449 0.000 0.952 235 E CB 0.133 29.682 29.700 -0.253 0.000 1.058 235 E HN 0.642 nan 8.360 nan 0.000 0.407 236 L N 4.447 125.351 121.223 -0.532 0.000 1.994 236 L HA -0.075 4.266 4.340 0.002 0.000 0.208 236 L C 0.322 177.094 176.870 -0.164 0.000 1.071 236 L CA 2.296 56.929 54.840 -0.344 0.000 0.745 236 L CB -0.117 41.868 42.059 -0.122 0.000 0.892 236 L HN 0.737 nan 8.230 nan 0.000 0.431 237 D N -4.847 115.482 120.400 -0.119 0.000 3.009 237 D HA 0.170 4.811 4.640 0.002 0.000 0.318 237 D C 0.726 176.927 176.300 -0.164 0.000 1.273 237 D CA -0.393 53.553 54.000 -0.089 0.000 1.001 237 D CB 0.158 40.949 40.800 -0.015 0.000 1.411 237 D HN -0.171 nan 8.370 nan 0.000 0.577 238 E N -1.038 118.974 120.200 -0.313 0.000 2.085 238 E HA -0.125 4.227 4.350 0.002 0.000 0.194 238 E C 1.215 177.525 176.600 -0.484 0.000 0.994 238 E CA 1.805 57.894 56.400 -0.518 0.000 0.801 238 E CB -0.419 28.746 29.700 -0.892 0.000 0.743 238 E HN 0.551 nan 8.360 nan 0.000 0.453 239 Y N -1.030 119.255 120.300 -0.025 0.000 2.507 239 Y HA 0.275 4.827 4.550 0.002 0.000 0.263 239 Y C 0.995 176.875 175.900 -0.032 0.000 1.093 239 Y CA 0.261 58.343 58.100 -0.029 0.000 1.285 239 Y CB 0.102 38.544 38.460 -0.030 0.000 1.115 239 Y HN -0.133 nan 8.280 nan 0.000 0.533 240 T N 0.530 115.154 114.554 0.118 0.000 2.863 240 T HA 0.491 4.842 4.350 0.002 0.000 0.285 240 T C -0.620 174.077 174.700 -0.004 0.000 1.009 240 T CA -0.809 61.328 62.100 0.061 0.000 0.989 240 T CB 1.270 70.181 68.868 0.072 0.000 1.004 240 T HN -0.029 nan 8.240 nan 0.000 0.455 241 N N 2.162 120.865 118.700 0.006 0.000 2.485 241 N HA 0.449 5.190 4.740 0.002 0.000 0.280 241 N C -0.978 174.540 175.510 0.013 0.000 1.205 241 N CA -0.701 52.336 53.050 -0.022 0.000 0.959 241 N CB 1.573 40.060 38.487 -0.001 0.000 1.206 241 N HN 0.815 nan 8.380 nan 0.000 0.545 242 E N 1.132 121.351 120.200 0.031 0.000 2.244 242 E HA 0.267 4.618 4.350 0.002 0.000 0.260 242 E C -1.353 175.324 176.600 0.128 0.000 0.884 242 E CA -0.581 55.880 56.400 0.103 0.000 0.777 242 E CB 0.812 30.600 29.700 0.146 0.000 1.197 242 E HN 0.234 nan 8.360 nan 0.000 0.416 243 L N 4.207 125.490 121.223 0.100 0.000 2.276 243 L HA 0.323 4.664 4.340 0.002 0.000 0.286 243 L C 0.235 177.123 176.870 0.032 0.000 1.061 243 L CA 0.062 54.930 54.840 0.047 0.000 0.807 243 L CB 1.055 43.104 42.059 -0.017 0.000 1.177 243 L HN 0.409 nan 8.230 nan 0.000 0.429 244 K N 4.966 125.337 120.400 -0.048 0.000 2.266 244 K HA 0.470 4.791 4.320 0.002 0.000 0.274 244 K C -1.012 175.461 176.600 -0.212 0.000 1.090 244 K CA -0.361 55.755 56.287 -0.285 0.000 0.925 244 K CB 0.240 32.612 32.500 -0.214 0.000 1.225 244 K HN 0.537 nan 8.250 nan 0.000 0.458 245 L N 3.159 124.266 121.223 -0.194 0.000 2.375 245 L HA 0.543 4.884 4.340 0.002 0.000 0.268 245 L C -0.191 176.640 176.870 -0.066 0.000 1.058 245 L CA -0.819 53.967 54.840 -0.090 0.000 0.803 245 L CB 1.202 43.245 42.059 -0.027 0.000 1.212 245 L HN 0.550 nan 8.230 nan 0.000 0.451 246 K N 1.379 121.759 120.400 -0.034 0.000 2.575 246 K HA 0.229 4.551 4.320 0.002 0.000 0.255 246 K C -1.922 174.678 176.600 -0.001 0.000 0.953 246 K CA -0.559 55.722 56.287 -0.009 0.000 0.840 246 K CB 1.748 34.222 32.500 -0.043 0.000 1.303 246 K HN 0.761 nan 8.250 nan 0.000 0.438 247 D N 2.376 122.793 120.400 0.028 0.000 2.616 247 D HA 0.313 4.954 4.640 0.002 0.000 0.260 247 D C 0.874 177.192 176.300 0.030 0.000 1.158 247 D CA -0.351 53.664 54.000 0.025 0.000 1.085 247 D CB 0.626 41.456 40.800 0.050 0.000 1.222 247 D HN 0.390 nan 8.370 nan 0.000 0.626 248 A N -0.208 122.635 122.820 0.038 0.000 2.070 248 A HA -0.129 4.192 4.320 0.002 0.000 0.220 248 A C 2.020 179.628 177.584 0.041 0.000 1.159 248 A CA 2.229 54.288 52.037 0.036 0.000 0.656 248 A CB -1.091 17.938 19.000 0.047 0.000 0.800 248 A HN 0.609 nan 8.150 nan 0.000 0.453 249 S N -1.739 113.995 115.700 0.056 0.000 2.447 249 S HA 0.250 4.721 4.470 0.002 0.000 0.233 249 S C 1.647 176.274 174.600 0.045 0.000 1.006 249 S CA 1.439 59.669 58.200 0.051 0.000 0.957 249 S CB -0.443 62.795 63.200 0.063 0.000 0.773 249 S HN 1.919 nan 8.310 nan 0.000 0.507 250 G N -0.221 108.605 108.800 0.044 0.000 2.213 250 G HA2 -0.204 3.757 3.960 0.002 0.000 0.236 250 G HA3 -0.204 3.757 3.960 0.002 0.000 0.236 250 G C -0.006 174.920 174.900 0.044 0.000 0.991 250 G CA 0.083 45.203 45.100 0.033 0.000 0.629 250 G HN 0.535 nan 8.290 nan 0.000 0.517 251 Q N 0.176 120.026 119.800 0.084 0.000 2.373 251 Q HA 0.523 4.865 4.340 0.002 0.000 0.255 251 Q C 0.041 176.117 176.000 0.126 0.000 0.980 251 Q CA 0.011 55.889 55.803 0.125 0.000 0.882 251 Q CB 1.875 30.762 28.738 0.249 0.000 1.249 251 Q HN 0.315 nan 8.270 nan 0.000 0.438 252 V N 4.159 124.103 119.914 0.050 0.000 2.378 252 V HA 0.412 4.533 4.120 0.002 0.000 0.288 252 V C -0.652 175.374 176.094 -0.114 0.000 1.016 252 V CA -0.396 61.880 62.300 -0.040 0.000 0.840 252 V CB 0.629 32.376 31.823 -0.127 0.000 0.994 252 V HN 0.547 nan 8.190 nan 0.000 0.431 253 F N 3.503 123.360 119.950 -0.155 0.000 2.556 253 F HA 0.719 5.248 4.527 0.002 0.000 0.327 253 F C -0.426 175.218 175.800 -0.259 0.000 1.059 253 F CA -0.708 57.240 58.000 -0.086 0.000 0.953 253 F CB 2.051 41.072 39.000 0.035 0.000 1.227 253 F HN 0.316 nan 8.300 nan 0.000 0.478 254 Y N -0.061 120.354 120.300 0.191 0.000 2.485 254 Y HA 0.599 5.150 4.550 0.002 0.000 0.345 254 Y C 0.035 176.001 175.900 0.110 0.000 0.998 254 Y CA -0.766 57.394 58.100 0.100 0.000 1.059 254 Y CB 2.416 40.897 38.460 0.035 0.000 1.234 254 Y HN 0.459 nan 8.280 nan 0.000 0.461 255 T N 3.208 117.894 114.554 0.220 0.000 2.982 255 T HA 0.484 4.835 4.350 0.002 0.000 0.321 255 T C -1.668 173.089 174.700 0.094 0.000 1.229 255 T CA -0.678 61.496 62.100 0.124 0.000 1.044 255 T CB 0.608 69.509 68.868 0.055 0.000 1.184 255 T HN 0.529 nan 8.240 nan 0.000 0.477 256 L N 3.697 124.963 121.223 0.072 0.000 2.281 256 L HA 0.534 4.875 4.340 0.002 0.000 0.285 256 L C 0.403 177.316 176.870 0.071 0.000 1.074 256 L CA -0.469 54.409 54.840 0.063 0.000 0.817 256 L CB 1.375 43.462 42.059 0.048 0.000 1.168 256 L HN 0.549 nan 8.230 nan 0.000 0.434 257 S N 4.679 120.431 115.700 0.087 0.000 2.478 257 S HA 0.554 5.025 4.470 0.002 0.000 0.312 257 S C -0.293 174.393 174.600 0.144 0.000 1.094 257 S CA -0.731 57.570 58.200 0.168 0.000 1.081 257 S CB 0.759 64.046 63.200 0.144 0.000 1.007 257 S HN 0.430 nan 8.310 nan 0.000 0.475 258 L N 5.291 126.587 121.223 0.122 0.000 2.461 258 L HA 0.263 4.605 4.340 0.002 0.000 0.272 258 L C 1.586 178.483 176.870 0.045 0.000 1.197 258 L CA -0.266 54.594 54.840 0.033 0.000 0.836 258 L CB 0.450 42.463 42.059 -0.078 0.000 1.105 258 L HN 0.770 nan 8.230 nan 0.000 0.477 259 K N 1.268 121.693 120.400 0.041 0.000 2.031 259 K HA -0.145 4.176 4.320 0.002 0.000 0.205 259 K C 1.718 178.334 176.600 0.027 0.000 1.049 259 K CA 0.884 57.196 56.287 0.040 0.000 0.939 259 K CB -0.097 32.420 32.500 0.028 0.000 0.717 259 K HN 0.413 nan 8.250 nan 0.000 0.438 260 L N 2.068 123.295 121.223 0.007 0.000 2.046 260 L HA -0.150 4.191 4.340 0.002 0.000 0.208 260 L C 2.224 179.078 176.870 -0.028 0.000 1.077 260 L CA 1.815 56.658 54.840 0.005 0.000 0.747 260 L CB -0.310 41.753 42.059 0.006 0.000 0.896 260 L HN 0.021 nan 8.230 nan 0.000 0.432 261 K N -1.201 119.092 120.400 -0.179 0.000 2.025 261 K HA -0.108 4.213 4.320 0.002 0.000 0.207 261 K C -0.241 176.090 176.600 -0.448 0.000 1.049 261 K CA 1.105 57.109 56.287 -0.473 0.000 0.933 261 K CB -0.014 31.900 32.500 -0.976 0.000 0.714 261 K HN 0.227 nan 8.250 nan 0.000 0.438 262 F N 0.800 120.785 119.950 0.058 0.000 2.451 262 F HA 0.320 4.848 4.527 0.002 0.000 0.367 262 F C -2.173 173.689 175.800 0.105 0.000 1.100 262 F CA -2.647 55.436 58.000 0.139 0.000 1.171 262 F CB 1.742 40.802 39.000 0.100 0.000 1.405 262 F HN 0.042 nan 8.300 nan 0.000 0.482 263 P HA 0.076 nan 4.420 nan 0.000 0.267 263 P C 0.731 178.089 177.300 0.097 0.000 1.289 263 P CA 0.588 63.749 63.100 0.102 0.000 0.866 263 P CB -0.270 31.456 31.700 0.044 0.000 1.309 264 H N -2.853 116.134 119.070 -0.138 0.000 2.575 264 H HA 0.282 4.839 4.556 0.002 0.000 0.267 264 H C 0.158 175.433 175.328 -0.087 0.000 0.966 264 H CA -0.446 55.514 56.048 -0.147 0.000 1.165 264 H CB -0.403 29.207 29.762 -0.253 0.000 1.433 264 H HN -0.266 nan 8.280 nan 0.000 0.544 265 V N 3.411 123.170 119.914 -0.258 0.000 2.493 265 V HA 0.063 4.185 4.120 0.002 0.000 0.292 265 V C 0.182 176.198 176.094 -0.130 0.000 1.016 265 V CA 0.128 62.268 62.300 -0.268 0.000 1.097 265 V CB 0.022 31.735 31.823 -0.184 0.000 0.947 265 V HN 0.439 nan 8.190 nan 0.000 0.479 266 R N 2.516 122.942 120.500 -0.123 0.000 2.837 266 R HA 0.506 4.847 4.340 0.002 0.000 0.271 266 R C -0.379 175.884 176.300 -0.062 0.000 0.993 266 R CA -0.811 55.247 56.100 -0.070 0.000 0.931 266 R CB 1.619 31.887 30.300 -0.053 0.000 1.206 266 R HN 0.579 nan 8.270 nan 0.000 0.474 267 T N 0.723 115.252 114.554 -0.042 0.000 2.814 267 T HA 0.361 4.712 4.350 0.002 0.000 0.297 267 T C 1.129 175.808 174.700 -0.034 0.000 0.956 267 T CA 1.045 63.123 62.100 -0.036 0.000 1.123 267 T CB 0.711 69.566 68.868 -0.022 0.000 0.902 267 T HN 0.789 nan 8.240 nan 0.000 0.528 268 G N 2.573 111.350 108.800 -0.039 0.000 2.176 268 G HA2 -0.180 3.782 3.960 0.002 0.000 0.232 268 G HA3 -0.180 3.782 3.960 0.002 0.000 0.232 268 G C -0.003 174.878 174.900 -0.031 0.000 0.986 268 G CA -0.443 44.637 45.100 -0.033 0.000 0.643 268 G HN 0.602 nan 8.290 nan 0.000 0.522 269 E N 0.348 120.526 120.200 -0.037 0.000 2.231 269 E HA 0.553 4.904 4.350 0.002 0.000 0.277 269 E C 0.251 176.840 176.600 -0.018 0.000 0.999 269 E CA -0.481 55.903 56.400 -0.026 0.000 0.827 269 E CB 1.783 31.457 29.700 -0.044 0.000 1.101 269 E HN 0.138 nan 8.360 nan 0.000 0.393 270 V N 4.174 124.105 119.914 0.028 0.000 2.461 270 V HA 0.250 4.371 4.120 0.002 0.000 0.275 270 V C 0.491 176.676 176.094 0.152 0.000 1.047 270 V CA -0.358 61.980 62.300 0.063 0.000 0.955 270 V CB 1.055 32.907 31.823 0.048 0.000 0.988 270 V HN 0.472 nan 8.190 nan 0.000 0.471 271 V N 3.128 123.090 119.914 0.081 0.000 3.155 271 V HA 0.780 4.902 4.120 0.002 0.000 0.313 271 V C -0.563 175.549 176.094 0.030 0.000 1.162 271 V CA -1.229 61.075 62.300 0.007 0.000 1.048 271 V CB 2.207 33.943 31.823 -0.146 0.000 1.092 271 V HN 0.850 nan 8.190 nan 0.000 0.447 272 R N 1.561 122.005 120.500 -0.094 0.000 2.483 272 R HA 0.585 4.927 4.340 0.002 0.000 0.303 272 R C -1.631 174.600 176.300 -0.114 0.000 0.987 272 R CA -0.735 55.325 56.100 -0.066 0.000 0.881 272 R CB 1.532 31.814 30.300 -0.030 0.000 1.177 272 R HN 0.778 nan 8.270 nan 0.000 0.451 273 I N 5.536 126.042 120.570 -0.106 0.000 2.312 273 I HA 0.133 4.304 4.170 0.002 0.000 0.291 273 I C 1.447 177.512 176.117 -0.088 0.000 1.031 273 I CA -0.428 60.791 61.300 -0.135 0.000 1.293 273 I CB 1.010 38.911 38.000 -0.165 0.000 1.403 273 I HN 0.728 nan 8.210 nan 0.000 0.484 274 R N 5.015 125.480 120.500 -0.058 0.000 2.070 274 R HA -0.084 4.257 4.340 0.002 0.000 0.233 274 R C 0.612 176.902 176.300 -0.017 0.000 1.137 274 R CA 1.448 57.542 56.100 -0.010 0.000 0.945 274 R CB -0.017 30.304 30.300 0.035 0.000 0.845 274 R HN 0.578 nan 8.270 nan 0.000 0.430 275 S N -0.600 115.078 115.700 -0.036 0.000 2.789 275 S HA 0.767 5.238 4.470 0.002 0.000 0.286 275 S C -1.413 173.083 174.600 -0.173 0.000 1.153 275 S CA -0.300 57.873 58.200 -0.045 0.000 1.084 275 S CB 0.830 64.117 63.200 0.144 0.000 1.036 275 S HN 0.509 nan 8.310 nan 0.000 0.484 276 A N 3.488 126.077 122.820 -0.384 0.000 2.380 276 A HA 0.917 5.238 4.320 0.002 0.000 0.315 276 A C -0.366 176.849 177.584 -0.615 0.000 1.101 276 A CA -0.670 51.041 52.037 -0.543 0.000 0.771 276 A CB 1.815 20.371 19.000 -0.740 0.000 1.287 276 A HN 0.609 nan 8.150 nan 0.000 0.436 277 T N 0.791 115.181 114.554 -0.273 0.000 2.886 277 T HA 0.418 4.769 4.350 0.002 0.000 0.292 277 T C -1.214 173.630 174.700 0.240 0.000 1.012 277 T CA -0.119 62.013 62.100 0.052 0.000 0.982 277 T CB 0.920 69.831 68.868 0.071 0.000 1.018 277 T HN 0.500 nan 8.240 nan 0.000 0.451 278 Y N 3.001 123.522 120.300 0.367 0.000 2.465 278 Y HA 0.211 4.762 4.550 0.002 0.000 0.331 278 Y C 0.441 176.472 175.900 0.218 0.000 1.102 278 Y CA -0.432 57.859 58.100 0.320 0.000 1.358 278 Y CB 0.442 39.064 38.460 0.270 0.000 1.213 278 Y HN 0.482 nan 8.280 nan 0.000 0.525 279 D N 5.939 126.140 120.400 -0.331 0.000 2.374 279 D HA 0.023 4.664 4.640 0.002 0.000 0.240 279 D C 0.474 176.554 176.300 -0.366 0.000 1.229 279 D CA 0.316 54.173 54.000 -0.237 0.000 0.895 279 D CB 0.604 41.315 40.800 -0.147 0.000 1.046 279 D HN 0.816 nan 8.370 nan 0.000 0.498 280 E N 1.183 121.369 120.200 -0.024 0.000 2.208 280 E HA -0.099 4.252 4.350 0.002 0.000 0.193 280 E C 0.831 177.470 176.600 0.064 0.000 0.988 280 E CA 0.607 57.093 56.400 0.144 0.000 0.828 280 E CB 0.279 30.110 29.700 0.219 0.000 0.763 280 E HN 0.260 nan 8.360 nan 0.000 0.478 281 T N 0.336 114.901 114.554 0.018 0.000 3.285 281 T HA 0.182 4.533 4.350 0.002 0.000 0.232 281 T C -0.715 173.979 174.700 -0.011 0.000 0.973 281 T CA -0.241 61.867 62.100 0.014 0.000 1.023 281 T CB -0.186 68.693 68.868 0.019 0.000 1.158 281 T HN -0.172 nan 8.240 nan 0.000 0.590 282 S N 0.592 116.276 115.700 -0.027 0.000 2.775 282 S HA 0.278 4.749 4.470 0.002 0.000 0.277 282 S C 1.121 175.707 174.600 -0.024 0.000 1.156 282 S CA -0.748 57.429 58.200 -0.039 0.000 1.081 282 S CB 1.634 64.790 63.200 -0.073 0.000 1.054 282 S HN 0.686 nan 8.310 nan 0.000 0.482 283 T N 0.430 114.978 114.554 -0.011 0.000 3.031 283 T HA 0.082 4.434 4.350 0.002 0.000 0.254 283 T C 1.287 175.981 174.700 -0.010 0.000 1.060 283 T CA 0.354 62.454 62.100 0.000 0.000 1.135 283 T CB -0.056 68.817 68.868 0.007 0.000 0.896 283 T HN 0.442 nan 8.240 nan 0.000 0.472 284 Q N 0.717 120.504 119.800 -0.022 0.000 2.302 284 Q HA 0.205 4.546 4.340 0.002 0.000 0.202 284 Q C -0.027 175.945 176.000 -0.046 0.000 0.936 284 Q CA 0.649 56.434 55.803 -0.029 0.000 0.886 284 Q CB 0.350 29.070 28.738 -0.030 0.000 0.986 284 Q HN 0.528 nan 8.270 nan 0.000 0.487 285 K N 0.420 120.785 120.400 -0.059 0.000 2.426 285 K HA 0.341 4.662 4.320 0.002 0.000 0.251 285 K C -0.937 175.625 176.600 -0.064 0.000 0.941 285 K CA -0.862 55.390 56.287 -0.058 0.000 0.808 285 K CB 1.731 34.148 32.500 -0.138 0.000 1.265 285 K HN -0.320 nan 8.250 nan 0.000 0.432 286 K N 2.251 122.587 120.400 -0.106 0.000 2.310 286 K HA 0.250 4.571 4.320 0.002 0.000 0.290 286 K C -0.529 176.010 176.600 -0.101 0.000 1.077 286 K CA -0.270 55.781 56.287 -0.394 0.000 0.922 286 K CB 0.779 32.630 32.500 -1.083 0.000 1.057 286 K HN 0.347 nan 8.250 nan 0.000 0.479 287 V N 4.712 124.660 119.914 0.057 0.000 2.628 287 V HA 0.469 4.591 4.120 0.002 0.000 0.306 287 V C 0.086 176.346 176.094 0.278 0.000 1.045 287 V CA -1.027 61.400 62.300 0.211 0.000 0.905 287 V CB 2.024 33.888 31.823 0.068 0.000 0.997 287 V HN 0.519 nan 8.190 nan 0.000 0.436 288 L N 4.720 126.096 121.223 0.254 0.000 2.313 288 L HA 0.594 4.935 4.340 0.002 0.000 0.283 288 L C -0.620 176.273 176.870 0.038 0.000 1.013 288 L CA -0.382 54.530 54.840 0.120 0.000 0.816 288 L CB 1.782 43.868 42.059 0.045 0.000 1.236 288 L HN 0.464 nan 8.230 nan 0.000 0.419 289 I N 4.321 124.892 120.570 0.002 0.000 2.353 289 I HA 0.357 4.528 4.170 0.002 0.000 0.293 289 I C -0.265 175.813 176.117 -0.065 0.000 0.992 289 I CA -0.432 60.857 61.300 -0.018 0.000 1.268 289 I CB 1.448 39.444 38.000 -0.006 0.000 1.387 289 I HN 0.383 nan 8.210 nan 0.000 0.478 290 L N 5.092 126.278 121.223 -0.062 0.000 2.334 290 L HA 0.529 4.871 4.340 0.002 0.000 0.272 290 L C 0.070 176.862 176.870 -0.130 0.000 1.020 290 L CA -0.411 54.372 54.840 -0.095 0.000 0.812 290 L CB 1.872 43.907 42.059 -0.041 0.000 1.264 290 L HN 0.563 nan 8.230 nan 0.000 0.439 291 S N -1.190 114.356 115.700 -0.257 0.000 2.767 291 S HA 0.246 4.717 4.470 0.002 0.000 0.300 291 S C 0.862 175.270 174.600 -0.320 0.000 1.123 291 S CA -0.643 57.328 58.200 -0.382 0.000 0.992 291 S CB 1.039 63.696 63.200 -0.906 0.000 1.138 291 S HN 0.779 nan 8.310 nan 0.000 0.550 292 H N 0.601 119.441 119.070 -0.384 0.000 2.491 292 H HA -0.092 4.465 4.556 0.002 0.000 0.290 292 H C 1.274 176.612 175.328 0.016 0.000 1.050 292 H CA 1.523 57.487 56.048 -0.140 0.000 1.309 292 H CB -0.641 29.121 29.762 0.001 0.000 1.392 292 H HN 0.823 nan 8.280 nan 0.000 0.554 293 Y N 0.429 120.483 120.300 -0.410 0.000 2.482 293 Y HA 0.460 5.011 4.550 0.002 0.000 0.270 293 Y C 0.790 176.644 175.900 -0.076 0.000 1.152 293 Y CA -0.966 56.920 58.100 -0.356 0.000 1.292 293 Y CB -0.381 37.465 38.460 -1.023 0.000 1.070 293 Y HN -0.069 nan 8.280 nan 0.000 0.528 294 S N 1.933 117.603 115.700 -0.051 0.000 2.584 294 S HA 0.182 4.653 4.470 0.002 0.000 0.270 294 S C -0.286 174.456 174.600 0.237 0.000 1.346 294 S CA -0.372 57.869 58.200 0.067 0.000 1.018 294 S CB 0.473 63.639 63.200 -0.056 0.000 0.899 294 S HN 0.540 nan 8.310 nan 0.000 0.542 295 N N 0.203 119.014 118.700 0.186 0.000 2.331 295 N HA 0.416 5.158 4.740 0.002 0.000 0.280 295 N C -1.752 173.716 175.510 -0.070 0.000 1.155 295 N CA -0.503 52.705 53.050 0.263 0.000 0.822 295 N CB 1.026 39.702 38.487 0.314 0.000 1.619 295 N HN 0.499 nan 8.380 nan 0.000 0.476 296 I N 3.154 123.533 120.570 -0.319 0.000 2.371 296 I HA 0.375 4.546 4.170 0.002 0.000 0.282 296 I C -0.569 175.515 176.117 -0.055 0.000 1.031 296 I CA -0.628 60.423 61.300 -0.415 0.000 1.180 296 I CB 0.610 38.069 38.000 -0.902 0.000 1.336 296 I HN 0.383 nan 8.210 nan 0.000 0.467 297 I N 5.139 125.656 120.570 -0.089 0.000 2.392 297 I HA 0.323 4.495 4.170 0.002 0.000 0.295 297 I C 0.597 176.534 176.117 -0.300 0.000 0.985 297 I CA -0.022 61.223 61.300 -0.091 0.000 1.221 297 I CB 1.809 39.705 38.000 -0.172 0.000 1.366 297 I HN 0.407 nan 8.210 nan 0.000 0.467 298 T N 4.995 119.421 114.554 -0.214 0.000 2.948 298 T HA 0.709 5.060 4.350 0.002 0.000 0.285 298 T C -0.635 173.816 174.700 -0.415 0.000 1.019 298 T CA -0.354 61.585 62.100 -0.269 0.000 1.013 298 T CB 0.509 69.348 68.868 -0.048 0.000 1.117 298 T HN 0.173 nan 8.240 nan 0.000 0.533 299 F N 1.802 121.763 119.950 0.019 0.000 2.483 299 F HA 0.558 5.086 4.527 0.001 0.000 0.329 299 F C 0.734 176.500 175.800 -0.056 0.000 1.064 299 F CA -1.435 56.567 58.000 0.004 0.000 0.986 299 F CB 0.895 39.928 39.000 0.056 0.000 1.218 299 F HN 0.525 nan 8.300 nan 0.000 0.484 300 I N -0.497 120.091 120.570 0.030 0.000 2.696 300 I HA 0.168 4.340 4.170 0.002 0.000 0.284 300 I C 0.920 177.033 176.117 -0.006 0.000 1.129 300 I CA -0.512 60.749 61.300 -0.066 0.000 1.410 300 I CB 0.590 38.452 38.000 -0.229 0.000 1.399 300 I HN 0.729 nan 8.210 nan 0.000 0.579 301 Q N 3.088 122.886 119.800 -0.004 0.000 2.197 301 Q HA -0.245 4.096 4.340 0.002 0.000 0.211 301 Q C 2.167 178.171 176.000 0.007 0.000 0.993 301 Q CA 2.407 58.214 55.803 0.007 0.000 0.883 301 Q CB -0.296 28.441 28.738 -0.001 0.000 0.916 301 Q HN 0.998 nan 8.270 nan 0.000 0.418 302 S N -0.162 115.539 115.700 0.001 0.000 2.507 302 S HA -0.034 4.437 4.470 0.002 0.000 0.235 302 S C 1.033 175.666 174.600 0.055 0.000 0.988 302 S CA 0.182 58.395 58.200 0.021 0.000 0.944 302 S CB 0.007 63.222 63.200 0.025 0.000 0.762 302 S HN 0.198 nan 8.310 nan 0.000 0.526 303 S N 1.773 117.525 115.700 0.086 0.000 2.575 303 S HA 0.042 4.513 4.470 0.002 0.000 0.295 303 S C 1.076 175.659 174.600 -0.027 0.000 1.267 303 S CA -0.254 58.011 58.200 0.109 0.000 1.074 303 S CB 0.560 63.824 63.200 0.105 0.000 0.829 303 S HN 0.612 nan 8.310 nan 0.000 0.497 304 K N 3.789 124.149 120.400 -0.067 0.000 2.076 304 K HA -0.060 4.261 4.320 0.002 0.000 0.204 304 K C 1.916 178.428 176.600 -0.146 0.000 1.051 304 K CA 0.918 57.145 56.287 -0.101 0.000 0.949 304 K CB -0.218 32.215 32.500 -0.112 0.000 0.726 304 K HN 0.648 nan 8.250 nan 0.000 0.443 305 L N 1.475 122.563 121.223 -0.224 0.000 1.976 305 L HA -0.110 4.231 4.340 0.002 0.000 0.209 305 L C 2.289 178.974 176.870 -0.307 0.000 1.071 305 L CA 2.291 56.957 54.840 -0.290 0.000 0.746 305 L CB -0.855 40.942 42.059 -0.438 0.000 0.890 305 L HN 0.209 nan 8.230 nan 0.000 0.432 306 A N -0.812 121.760 122.820 -0.413 0.000 1.933 306 A HA -0.268 4.053 4.320 0.002 0.000 0.218 306 A C 2.444 179.954 177.584 -0.124 0.000 1.175 306 A CA 2.021 53.900 52.037 -0.264 0.000 0.628 306 A CB -0.647 18.249 19.000 -0.174 0.000 0.814 306 A HN 0.542 nan 8.150 nan 0.000 0.444 307 K N -0.178 120.158 120.400 -0.107 0.000 2.002 307 K HA -0.183 4.138 4.320 0.002 0.000 0.209 307 K C 1.946 178.507 176.600 -0.066 0.000 1.048 307 K CA 1.748 57.995 56.287 -0.067 0.000 0.930 307 K CB -0.201 32.265 32.500 -0.057 0.000 0.714 307 K HN 0.621 nan 8.250 nan 0.000 0.438 308 E N 0.244 120.396 120.200 -0.079 0.000 2.106 308 E HA -0.182 4.170 4.350 0.002 0.000 0.192 308 E C 1.916 178.479 176.600 -0.062 0.000 0.984 308 E CA 0.804 57.165 56.400 -0.065 0.000 0.806 308 E CB 0.010 29.669 29.700 -0.067 0.000 0.750 308 E HN 0.149 nan 8.360 nan 0.000 0.458 309 L N 0.867 122.042 121.223 -0.080 0.000 2.275 309 L HA -0.099 4.242 4.340 0.002 0.000 0.215 309 L C 2.095 178.933 176.870 -0.052 0.000 1.119 309 L CA 1.368 56.166 54.840 -0.069 0.000 0.790 309 L CB -0.286 41.716 42.059 -0.095 0.000 0.919 309 L HN 0.000 nan 8.230 nan 0.000 0.443 310 R N -1.361 119.109 120.500 -0.049 0.000 2.090 310 R HA -0.027 4.314 4.340 0.002 0.000 0.228 310 R C 2.174 178.454 176.300 -0.034 0.000 1.110 310 R CA 1.162 57.240 56.100 -0.037 0.000 0.973 310 R CB -0.311 29.970 30.300 -0.031 0.000 0.869 310 R HN 0.360 nan 8.270 nan 0.000 0.440 311 A N 1.070 123.869 122.820 -0.034 0.000 1.878 311 A HA -0.073 4.248 4.320 0.002 0.000 0.213 311 A C 1.790 179.358 177.584 -0.027 0.000 1.192 311 A CA 0.988 53.008 52.037 -0.029 0.000 0.619 311 A CB -0.030 18.953 19.000 -0.028 0.000 0.837 311 A HN 0.018 nan 8.150 nan 0.000 0.446 312 K N -0.226 120.157 120.400 -0.029 0.000 2.362 312 K HA 0.154 4.475 4.320 0.002 0.000 0.200 312 K C -0.061 176.525 176.600 -0.023 0.000 1.046 312 K CA 0.576 56.849 56.287 -0.024 0.000 0.952 312 K CB -0.166 32.320 32.500 -0.023 0.000 0.753 312 K HN 0.516 nan 8.250 nan 0.000 0.466 313 I N 2.006 122.559 120.570 -0.028 0.000 2.354 313 I HA 0.148 4.319 4.170 0.002 0.000 0.286 313 I C -0.311 175.784 176.117 -0.037 0.000 1.007 313 I CA -0.745 60.537 61.300 -0.030 0.000 1.167 313 I CB 1.187 39.168 38.000 -0.032 0.000 1.320 313 I HN -0.013 nan 8.210 nan 0.000 0.458 314 Q N 3.677 123.454 119.800 -0.039 0.000 2.359 314 Q HA 0.408 4.749 4.340 0.002 0.000 0.275 314 Q C -0.934 175.023 176.000 -0.072 0.000 1.082 314 Q CA -0.869 54.905 55.803 -0.048 0.000 0.849 314 Q CB 2.308 31.026 28.738 -0.034 0.000 1.377 314 Q HN 0.431 nan 8.270 nan 0.000 0.452 315 D N 0.481 120.816 120.400 -0.108 0.000 2.313 315 D HA 0.062 4.703 4.640 0.002 0.000 0.247 315 D C -0.054 176.141 176.300 -0.175 0.000 1.094 315 D CA -0.020 53.862 54.000 -0.196 0.000 0.925 315 D CB 1.005 41.599 40.800 -0.343 0.000 1.188 315 D HN 0.490 nan 8.370 nan 0.000 0.430 316 D N -0.209 120.086 120.400 -0.176 0.000 2.455 316 D HA -0.002 4.639 4.640 0.002 0.000 0.228 316 D C 0.448 176.770 176.300 0.038 0.000 1.070 316 D CA 0.209 54.176 54.000 -0.054 0.000 0.881 316 D CB -0.411 40.377 40.800 -0.021 0.000 1.087 316 D HN 0.635 nan 8.370 nan 0.000 0.498 317 H N -0.742 118.352 119.070 0.039 0.000 3.366 317 H HA -0.219 4.338 4.556 0.002 0.000 0.233 317 H C 1.382 176.765 175.328 0.092 0.000 1.102 317 H CA 0.900 57.001 56.048 0.088 0.000 1.184 317 H CB -1.732 28.091 29.762 0.102 0.000 1.216 317 H HN 0.305 nan 8.280 nan 0.000 0.317 318 S N -0.741 115.039 115.700 0.133 0.000 2.399 318 S HA -0.145 4.326 4.470 0.002 0.000 0.231 318 S C 2.081 176.731 174.600 0.083 0.000 1.022 318 S CA 1.253 59.510 58.200 0.095 0.000 0.983 318 S CB -0.330 62.901 63.200 0.053 0.000 0.803 318 S HN 0.270 nan 8.310 nan 0.000 0.480 319 V N 1.848 121.810 119.914 0.080 0.000 2.358 319 V HA -0.099 4.023 4.120 0.002 0.000 0.246 319 V C 2.748 178.886 176.094 0.073 0.000 1.047 319 V CA 2.028 64.374 62.300 0.077 0.000 1.035 319 V CB -0.963 30.924 31.823 0.105 0.000 0.658 319 V HN 0.372 nan 8.190 nan 0.000 0.452 320 E N 0.772 121.038 120.200 0.109 0.000 2.017 320 E HA -0.175 4.176 4.350 0.002 0.000 0.193 320 E C 2.252 178.844 176.600 -0.013 0.000 0.997 320 E CA 1.775 58.205 56.400 0.050 0.000 0.804 320 E CB -0.698 29.098 29.700 0.160 0.000 0.757 320 E HN 0.549 nan 8.360 nan 0.000 0.448 321 V N -0.865 119.104 119.914 0.092 0.000 2.568 321 V HA -0.206 3.916 4.120 0.002 0.000 0.253 321 V C 2.057 178.165 176.094 0.024 0.000 1.072 321 V CA 1.826 64.170 62.300 0.073 0.000 1.084 321 V CB -1.041 30.869 31.823 0.146 0.000 0.676 321 V HN 0.242 nan 8.190 nan 0.000 0.469 322 A N 1.716 124.552 122.820 0.026 0.000 1.874 322 A HA -0.081 4.240 4.320 0.002 0.000 0.214 322 A C 2.572 180.151 177.584 -0.010 0.000 1.189 322 A CA 2.082 54.126 52.037 0.013 0.000 0.615 322 A CB -1.001 18.011 19.000 0.020 0.000 0.830 322 A HN 0.902 nan 8.150 nan 0.000 0.443 323 S N 0.182 115.868 115.700 -0.024 0.000 2.419 323 S HA -0.049 4.422 4.470 0.002 0.000 0.233 323 S C 1.739 176.301 174.600 -0.063 0.000 1.016 323 S CA 1.302 59.475 58.200 -0.045 0.000 0.974 323 S CB -0.673 62.490 63.200 -0.062 0.000 0.786 323 S HN 0.424 nan 8.310 nan 0.000 0.492 324 L N 0.526 121.698 121.223 -0.084 0.000 2.275 324 L HA 0.070 4.411 4.340 0.002 0.000 0.215 324 L C 2.088 178.929 176.870 -0.049 0.000 1.119 324 L CA 1.018 55.800 54.840 -0.096 0.000 0.790 324 L CB -0.342 41.631 42.059 -0.143 0.000 0.919 324 L HN 0.311 nan 8.230 nan 0.000 0.443 325 K N 0.138 120.520 120.400 -0.029 0.000 2.476 325 K HA 0.105 4.426 4.320 0.002 0.000 0.196 325 K C -0.116 176.479 176.600 -0.009 0.000 1.025 325 K CA 0.198 56.477 56.287 -0.012 0.000 1.138 325 K CB 0.238 32.736 32.500 -0.003 0.000 0.860 325 K HN 0.223 nan 8.250 nan 0.000 0.515 326 K N 0.253 120.645 120.400 -0.013 0.000 2.259 326 K HA 0.236 4.557 4.320 0.002 0.000 0.252 326 K C -0.019 176.583 176.600 0.002 0.000 0.936 326 K CA -0.412 55.872 56.287 -0.004 0.000 0.810 326 K CB 1.698 34.195 32.500 -0.005 0.000 1.143 326 K HN -0.028 nan 8.250 nan 0.000 0.427 327 N N 0.097 118.802 118.700 0.009 0.000 2.007 327 N HA -0.143 4.598 4.740 0.002 0.000 0.197 327 N C 0.062 175.595 175.510 0.038 0.000 1.050 327 N CA 0.947 54.008 53.050 0.018 0.000 0.856 327 N CB 0.121 38.616 38.487 0.013 0.000 1.050 327 N HN 0.137 nan 8.380 nan 0.000 0.423 328 V N 0.771 120.711 119.914 0.043 0.000 2.328 328 V HA 0.221 4.342 4.120 0.002 0.000 0.278 328 V C -0.289 175.858 176.094 0.088 0.000 1.021 328 V CA -0.536 61.817 62.300 0.090 0.000 0.838 328 V CB 1.325 33.180 31.823 0.053 0.000 0.999 328 V HN 0.103 nan 8.190 nan 0.000 0.447 329 S N 5.005 120.772 115.700 0.113 0.000 2.429 329 S HA 0.511 4.982 4.470 0.002 0.000 0.302 329 S C 0.669 175.283 174.600 0.024 0.000 1.115 329 S CA -0.658 57.551 58.200 0.016 0.000 1.095 329 S CB 0.793 63.948 63.200 -0.075 0.000 0.987 329 S HN 0.650 nan 8.310 nan 0.000 0.474 330 L N 3.984 125.207 121.223 0.000 0.000 2.591 330 L HA 0.220 4.561 4.340 0.002 0.000 0.228 330 L C 0.122 176.903 176.870 -0.147 0.000 1.133 330 L CA 0.161 54.996 54.840 -0.008 0.000 0.880 330 L CB -0.336 41.715 42.059 -0.013 0.000 1.033 330 L HN 0.564 nan 8.230 nan 0.000 0.450 331 N N 0.439 119.024 118.700 -0.193 0.000 2.421 331 N HA 0.454 5.195 4.740 0.002 0.000 0.285 331 N C -0.129 175.229 175.510 -0.252 0.000 1.027 331 N CA -0.271 52.615 53.050 -0.274 0.000 0.918 331 N CB 1.594 39.960 38.487 -0.201 0.000 1.152 331 N HN 0.019 nan 8.380 nan 0.000 0.485 332 A N 1.789 124.437 122.820 -0.286 0.000 2.450 332 A HA 0.354 4.675 4.320 0.002 0.000 0.255 332 A C -0.346 177.131 177.584 -0.178 0.000 1.096 332 A CA -0.243 51.617 52.037 -0.295 0.000 0.778 332 A CB 0.171 18.714 19.000 -0.762 0.000 1.031 332 A HN 0.482 nan 8.150 nan 0.000 0.494 333 V N 4.520 124.371 119.914 -0.106 0.000 2.349 333 V HA 0.190 4.311 4.120 0.002 0.000 0.284 333 V C -0.130 175.954 176.094 -0.017 0.000 1.014 333 V CA -0.551 61.691 62.300 -0.097 0.000 0.826 333 V CB 1.427 33.114 31.823 -0.227 0.000 1.009 333 V HN 0.612 nan 8.190 nan 0.000 0.431 334 V N 6.976 126.917 119.914 0.045 0.000 2.370 334 V HA 0.138 4.259 4.120 0.002 0.000 0.257 334 V C 1.318 177.500 176.094 0.146 0.000 1.064 334 V CA 0.117 62.469 62.300 0.087 0.000 0.975 334 V CB 0.645 32.514 31.823 0.077 0.000 1.067 334 V HN 0.774 nan 8.190 nan 0.000 0.485 335 L N 3.662 124.939 121.223 0.090 0.000 2.156 335 L HA -0.006 4.335 4.340 0.002 0.000 0.208 335 L C 1.520 178.448 176.870 0.095 0.000 1.095 335 L CA 0.987 55.919 54.840 0.154 0.000 0.770 335 L CB -0.478 41.605 42.059 0.040 0.000 0.914 335 L HN 0.827 nan 8.230 nan 0.000 0.439 336 T N -2.688 111.868 114.554 0.003 0.000 2.936 336 T HA 0.455 4.807 4.350 0.002 0.000 0.282 336 T C -0.440 174.232 174.700 -0.047 0.000 1.003 336 T CA -0.769 61.288 62.100 -0.073 0.000 1.005 336 T CB 2.494 71.320 68.868 -0.070 0.000 1.097 336 T HN 0.090 nan 8.240 nan 0.000 0.532 337 E N 0.754 120.914 120.200 -0.066 0.000 2.260 337 E HA 0.486 4.837 4.350 0.002 0.000 0.266 337 E C -1.310 175.283 176.600 -0.011 0.000 0.887 337 E CA -0.811 55.565 56.400 -0.039 0.000 0.777 337 E CB 1.981 31.640 29.700 -0.068 0.000 1.205 337 E HN 0.533 nan 8.360 nan 0.000 0.414 338 V N 3.813 123.738 119.914 0.017 0.000 2.775 338 V HA 0.012 4.133 4.120 0.002 0.000 0.299 338 V C 0.761 176.879 176.094 0.040 0.000 1.062 338 V CA -0.185 62.148 62.300 0.055 0.000 1.063 338 V CB 1.271 33.140 31.823 0.078 0.000 0.994 338 V HN 0.789 nan 8.190 nan 0.000 0.483 339 D N 3.160 123.592 120.400 0.053 0.000 2.449 339 D HA -0.033 4.608 4.640 0.002 0.000 0.236 339 D C 1.266 177.532 176.300 -0.057 0.000 1.149 339 D CA -0.072 53.917 54.000 -0.018 0.000 0.878 339 D CB 0.886 41.653 40.800 -0.055 0.000 1.198 339 D HN 0.740 nan 8.370 nan 0.000 0.446 340 K N 2.734 123.092 120.400 -0.069 0.000 2.211 340 K HA -0.207 4.114 4.320 0.002 0.000 0.204 340 K C 1.642 178.183 176.600 -0.098 0.000 1.047 340 K CA 1.384 57.632 56.287 -0.064 0.000 0.935 340 K CB -0.156 32.313 32.500 -0.052 0.000 0.728 340 K HN 0.384 nan 8.250 nan 0.000 0.452 341 K N -0.055 120.223 120.400 -0.203 0.000 2.288 341 K HA -0.081 4.240 4.320 0.002 0.000 0.201 341 K C 0.823 177.291 176.600 -0.220 0.000 1.048 341 K CA 0.981 57.115 56.287 -0.255 0.000 0.956 341 K CB -0.066 32.221 32.500 -0.355 0.000 0.746 341 K HN 0.294 nan 8.250 nan 0.000 0.461 342 H N -0.014 119.056 119.070 -0.000 0.000 2.594 342 H HA 0.338 4.895 4.556 0.002 0.000 0.279 342 H C 1.559 176.887 175.328 0.001 0.000 1.042 342 H CA 0.237 56.285 56.048 0.001 0.000 1.177 342 H CB 0.639 30.405 29.762 0.007 0.000 1.524 342 H HN 0.347 nan 8.280 nan 0.000 0.537 343 A N 0.966 123.828 122.820 0.070 0.000 2.019 343 A HA -0.034 4.287 4.320 0.002 0.000 0.219 343 A C 2.410 180.016 177.584 0.037 0.000 1.164 343 A CA 1.539 53.601 52.037 0.042 0.000 0.644 343 A CB -0.289 18.718 19.000 0.012 0.000 0.805 343 A HN 0.386 nan 8.150 nan 0.000 0.449 344 A N -1.365 121.478 122.820 0.039 0.000 2.147 344 A HA 0.418 4.740 4.320 0.002 0.000 0.211 344 A C 0.849 178.454 177.584 0.035 0.000 1.160 344 A CA -0.105 51.950 52.037 0.029 0.000 0.781 344 A CB -0.315 18.698 19.000 0.020 0.000 0.842 344 A HN 0.468 nan 8.150 nan 0.000 0.475 345 L N 2.367 123.623 121.223 0.056 0.000 2.499 345 L HA 0.212 4.553 4.340 0.002 0.000 0.273 345 L C -1.883 175.009 176.870 0.037 0.000 1.195 345 L CA -1.316 53.553 54.840 0.047 0.000 0.882 345 L CB 0.142 42.235 42.059 0.055 0.000 1.133 345 L HN 0.149 nan 8.230 nan 0.000 0.483 346 P HA 0.157 nan 4.420 nan 0.000 0.274 346 P C -1.369 175.955 177.300 0.040 0.000 1.237 346 P CA -0.548 62.571 63.100 0.031 0.000 0.793 346 P CB 0.878 32.597 31.700 0.032 0.000 0.977 347 S N 0.303 116.019 115.700 0.026 0.000 2.452 347 S HA 0.362 4.833 4.470 0.002 0.000 0.284 347 S C 0.048 174.658 174.600 0.017 0.000 1.171 347 S CA -0.492 57.721 58.200 0.022 0.000 1.064 347 S CB -0.107 63.095 63.200 0.003 0.000 0.967 347 S HN 0.371 nan 8.310 nan 0.000 0.484 348 T N 3.038 117.603 114.554 0.018 0.000 2.837 348 T HA 0.411 4.762 4.350 0.002 0.000 0.285 348 T C 0.489 175.154 174.700 -0.059 0.000 0.984 348 T CA -0.483 61.602 62.100 -0.025 0.000 1.049 348 T CB 1.388 70.215 68.868 -0.067 0.000 0.947 348 T HN 0.786 nan 8.240 nan 0.000 0.472 349 S N 1.583 117.252 115.700 -0.052 0.000 2.573 349 S HA 0.081 4.552 4.470 0.002 0.000 0.277 349 S C 1.360 175.913 174.600 -0.080 0.000 1.346 349 S CA -0.649 57.524 58.200 -0.044 0.000 1.034 349 S CB 0.149 63.335 63.200 -0.024 0.000 0.879 349 S HN 0.570 nan 8.310 nan 0.000 0.528 350 L N 3.409 124.582 121.223 -0.082 0.000 2.141 350 L HA 0.006 4.347 4.340 0.002 0.000 0.209 350 L C 2.643 179.397 176.870 -0.193 0.000 1.094 350 L CA 1.851 56.596 54.840 -0.158 0.000 0.763 350 L CB -0.868 41.016 42.059 -0.292 0.000 0.908 350 L HN 0.914 nan 8.230 nan 0.000 0.437 351 Q N -0.867 118.870 119.800 -0.106 0.000 2.079 351 Q HA -0.205 4.136 4.340 0.002 0.000 0.200 351 Q C 1.624 177.685 176.000 0.101 0.000 0.974 351 Q CA 1.820 57.658 55.803 0.058 0.000 0.840 351 Q CB 0.046 28.831 28.738 0.080 0.000 0.898 351 Q HN 0.500 nan 8.270 nan 0.000 0.430 352 D N 0.210 120.670 120.400 0.100 0.000 2.117 352 D HA -0.137 4.504 4.640 0.002 0.000 0.198 352 D C 1.913 178.174 176.300 -0.065 0.000 0.982 352 D CA 0.684 54.767 54.000 0.139 0.000 0.828 352 D CB 0.022 40.842 40.800 0.034 0.000 0.967 352 D HN 0.230 nan 8.370 nan 0.000 0.464 353 L N -0.382 120.718 121.223 -0.204 0.000 2.131 353 L HA -0.136 4.206 4.340 0.002 0.000 0.210 353 L C 1.741 178.382 176.870 -0.383 0.000 1.092 353 L CA 1.503 56.075 54.840 -0.447 0.000 0.759 353 L CB -0.244 41.470 42.059 -0.574 0.000 0.903 353 L HN -0.033 nan 8.230 nan 0.000 0.435 354 F N -3.382 116.409 119.950 -0.264 0.000 2.680 354 F HA 0.132 4.660 4.527 0.002 0.000 0.290 354 F C 2.210 177.787 175.800 -0.372 0.000 1.114 354 F CA 0.159 58.002 58.000 -0.263 0.000 1.333 354 F CB -0.040 38.770 39.000 -0.317 0.000 1.091 354 F HN 0.074 nan 8.300 nan 0.000 0.606 355 H N -1.948 117.088 119.070 -0.057 0.000 2.654 355 H HA 0.229 4.786 4.556 0.002 0.000 0.264 355 H C 0.874 175.932 175.328 -0.450 0.000 0.954 355 H CA 0.863 56.747 56.048 -0.274 0.000 1.199 355 H CB 0.370 29.871 29.762 -0.434 0.000 1.446 355 H HN 0.310 nan 8.280 nan 0.000 0.516 356 H N -0.981 118.139 119.070 0.082 0.000 3.241 356 H HA 0.327 4.884 4.556 0.002 0.000 0.260 356 H C 2.014 177.334 175.328 -0.014 0.000 1.084 356 H CA 0.548 56.614 56.048 0.030 0.000 1.203 356 H CB 0.468 30.241 29.762 0.019 0.000 1.524 356 H HN 0.211 nan 8.280 nan 0.000 0.521 357 A N 1.083 123.919 122.820 0.027 0.000 2.024 357 A HA -0.162 4.160 4.320 0.002 0.000 0.220 357 A C 1.479 179.066 177.584 0.005 0.000 1.164 357 A CA 1.875 53.901 52.037 -0.017 0.000 0.643 357 A CB -0.106 18.838 19.000 -0.093 0.000 0.806 357 A HN 0.144 nan 8.150 nan 0.000 0.451 358 D N -1.353 119.045 120.400 -0.003 0.000 2.360 358 D HA 0.121 4.762 4.640 0.002 0.000 0.210 358 D C 1.628 177.940 176.300 0.020 0.000 1.047 358 D CA 0.871 54.867 54.000 -0.007 0.000 0.854 358 D CB 0.470 41.251 40.800 -0.032 0.000 0.936 358 D HN 0.398 nan 8.370 nan 0.000 0.514 359 S N -0.111 115.619 115.700 0.050 0.000 2.620 359 S HA -0.022 4.449 4.470 0.002 0.000 0.234 359 S C 0.564 175.195 174.600 0.053 0.000 1.064 359 S CA -0.343 57.893 58.200 0.059 0.000 0.920 359 S CB 0.405 63.664 63.200 0.097 0.000 0.826 359 S HN 0.109 nan 8.310 nan 0.000 0.557 360 D N 2.725 123.165 120.400 0.066 0.000 2.472 360 D HA 0.010 4.651 4.640 0.002 0.000 0.248 360 D C 1.197 177.522 176.300 0.041 0.000 1.174 360 D CA 0.201 54.227 54.000 0.042 0.000 0.883 360 D CB 0.681 41.505 40.800 0.040 0.000 1.149 360 D HN 0.274 nan 8.370 nan 0.000 0.488 361 K N 3.093 123.511 120.400 0.029 0.000 2.360 361 K HA -0.129 4.192 4.320 0.002 0.000 0.201 361 K C 0.668 177.290 176.600 0.036 0.000 1.046 361 K CA 0.833 57.136 56.287 0.028 0.000 0.945 361 K CB 0.174 32.685 32.500 0.018 0.000 0.750 361 K HN 0.415 nan 8.250 nan 0.000 0.464 362 E N 1.290 121.516 120.200 0.044 0.000 2.140 362 E HA 0.050 4.401 4.350 0.002 0.000 0.191 362 E C 2.138 178.801 176.600 0.104 0.000 0.973 362 E CA 0.503 56.937 56.400 0.058 0.000 0.829 362 E CB -0.042 29.688 29.700 0.049 0.000 0.781 362 E HN 0.331 nan 8.360 nan 0.000 0.466 363 L N 0.792 122.090 121.223 0.125 0.000 2.313 363 L HA -0.064 4.277 4.340 0.002 0.000 0.214 363 L C 2.328 179.337 176.870 0.230 0.000 1.119 363 L CA 0.659 55.633 54.840 0.223 0.000 0.809 363 L CB -0.245 41.882 42.059 0.113 0.000 0.933 363 L HN 0.052 nan 8.230 nan 0.000 0.449 364 Q N 0.022 119.893 119.800 0.120 0.000 2.230 364 Q HA -0.085 4.257 4.340 0.002 0.000 0.202 364 Q C 2.447 178.485 176.000 0.064 0.000 0.963 364 Q CA 1.266 57.117 55.803 0.081 0.000 0.866 364 Q CB -0.089 28.674 28.738 0.042 0.000 0.931 364 Q HN 0.539 nan 8.270 nan 0.000 0.452 365 A N 0.548 123.402 122.820 0.057 0.000 1.897 365 A HA -0.076 4.245 4.320 0.002 0.000 0.215 365 A C 1.179 178.756 177.584 -0.013 0.000 1.181 365 A CA 0.652 52.700 52.037 0.019 0.000 0.620 365 A CB 0.055 19.064 19.000 0.015 0.000 0.821 365 A HN 0.167 nan 8.150 nan 0.000 0.443 366 Q N 0.250 120.042 119.800 -0.014 0.000 2.340 366 Q HA 0.175 4.516 4.340 0.002 0.000 0.249 366 Q C -0.015 175.817 176.000 -0.280 0.000 0.957 366 Q CA 0.520 56.194 55.803 -0.215 0.000 0.882 366 Q CB 1.107 29.605 28.738 -0.399 0.000 1.235 366 Q HN 0.735 nan 8.270 nan 0.000 0.439 367 D N -0.632 119.530 120.400 -0.397 0.000 2.531 367 D HA 0.016 4.657 4.640 0.002 0.000 0.263 367 D C -0.174 175.908 176.300 -0.363 0.000 1.057 367 D CA 0.250 54.101 54.000 -0.249 0.000 0.909 367 D CB 0.279 41.001 40.800 -0.130 0.000 1.236 367 D HN 0.259 nan 8.370 nan 0.000 0.494 368 T N 0.722 114.964 114.554 -0.520 0.000 2.829 368 T HA 0.538 4.889 4.350 0.002 0.000 0.282 368 T C -0.832 173.460 174.700 -0.679 0.000 0.990 368 T CA -0.267 61.586 62.100 -0.413 0.000 1.028 368 T CB 0.939 69.634 68.868 -0.289 0.000 0.951 368 T HN -0.078 nan 8.240 nan 0.000 0.460 369 F N 0.824 120.737 119.950 -0.061 0.000 2.629 369 F HA 0.655 5.183 4.527 0.002 0.000 0.316 369 F C 0.246 175.987 175.800 -0.098 0.000 1.081 369 F CA -1.329 56.624 58.000 -0.078 0.000 0.954 369 F CB 1.930 40.874 39.000 -0.094 0.000 1.337 369 F HN 0.274 nan 8.300 nan 0.000 0.474 370 R N 0.513 121.097 120.500 0.140 0.000 2.599 370 R HA 0.751 5.092 4.340 0.002 0.000 0.295 370 R C -1.337 174.988 176.300 0.043 0.000 0.963 370 R CA -0.215 55.916 56.100 0.053 0.000 0.883 370 R CB 2.021 32.338 30.300 0.028 0.000 1.171 370 R HN 0.831 nan 8.270 nan 0.000 0.450 371 T N 1.974 116.536 114.554 0.013 0.000 2.821 371 T HA 0.374 4.726 4.350 0.002 0.000 0.306 371 T C -1.851 172.787 174.700 -0.102 0.000 1.313 371 T CA -0.639 61.461 62.100 -0.000 0.000 1.012 371 T CB 1.800 70.707 68.868 0.065 0.000 1.298 371 T HN 0.533 nan 8.240 nan 0.000 0.502 372 Q N 1.670 121.424 119.800 -0.076 0.000 2.356 372 Q HA 0.803 5.144 4.340 0.002 0.000 0.270 372 Q C -1.097 174.909 176.000 0.010 0.000 1.058 372 Q CA -0.546 55.164 55.803 -0.155 0.000 0.802 372 Q CB 1.768 30.481 28.738 -0.042 0.000 1.303 372 Q HN 0.629 nan 8.270 nan 0.000 0.444 373 F N -1.149 118.910 119.950 0.183 0.000 2.831 373 F HA 0.736 5.264 4.527 0.002 0.000 0.318 373 F C -1.761 174.198 175.800 0.265 0.000 1.174 373 F CA -1.811 56.302 58.000 0.189 0.000 0.918 373 F CB 0.847 39.855 39.000 0.013 0.000 1.364 373 F HN 0.446 nan 8.300 nan 0.000 0.475 374 Y N -0.354 120.199 120.300 0.421 0.000 2.361 374 Y HA 0.769 5.320 4.550 0.002 0.000 0.337 374 Y C -1.349 174.608 175.900 0.094 0.000 0.965 374 Y CA -2.023 56.141 58.100 0.107 0.000 1.091 374 Y CB 1.014 39.332 38.460 -0.235 0.000 1.182 374 Y HN 0.568 nan 8.280 nan 0.000 0.450 375 V N 4.109 124.089 119.914 0.110 0.000 2.479 375 V HA 0.053 4.174 4.120 0.002 0.000 0.281 375 V C 1.078 177.203 176.094 0.051 0.000 1.031 375 V CA 0.863 63.149 62.300 -0.023 0.000 1.038 375 V CB 0.684 32.422 31.823 -0.141 0.000 0.981 375 V HN 1.112 nan 8.190 nan 0.000 0.478 376 T N 1.535 116.093 114.554 0.008 0.000 2.983 376 T HA 0.156 4.508 4.350 0.002 0.000 0.250 376 T C 0.562 175.308 174.700 0.077 0.000 1.037 376 T CA 0.232 62.371 62.100 0.065 0.000 1.142 376 T CB 0.337 69.213 68.868 0.014 0.000 0.876 376 T HN 0.515 nan 8.240 nan 0.000 0.455 377 K N 0.149 120.592 120.400 0.072 0.000 2.523 377 K HA 0.609 4.930 4.320 0.002 0.000 0.257 377 K C -1.983 174.716 176.600 0.166 0.000 0.932 377 K CA -0.952 55.400 56.287 0.108 0.000 0.812 377 K CB 2.107 34.650 32.500 0.071 0.000 1.326 377 K HN 0.233 nan 8.250 nan 0.000 0.433 378 I N 2.914 123.619 120.570 0.225 0.000 2.404 378 I HA 0.322 4.493 4.170 0.002 0.000 0.293 378 I C -0.491 175.744 176.117 0.197 0.000 0.992 378 I CA -0.686 60.778 61.300 0.275 0.000 1.149 378 I CB 1.933 40.193 38.000 0.433 0.000 1.315 378 I HN 0.526 nan 8.210 nan 0.000 0.446 379 E N 6.878 127.119 120.200 0.068 0.000 2.222 379 E HA 0.420 4.771 4.350 0.002 0.000 0.267 379 E C -2.546 174.042 176.600 -0.020 0.000 0.884 379 E CA -2.008 54.432 56.400 0.066 0.000 0.764 379 E CB 2.151 31.869 29.700 0.030 0.000 1.169 379 E HN 0.255 nan 8.360 nan 0.000 0.413 380 P HA -0.050 nan 4.420 nan 0.000 0.272 380 P C 0.598 178.099 177.300 0.334 0.000 1.223 380 P CA 0.015 63.241 63.100 0.210 0.000 0.784 380 P CB 0.718 32.551 31.700 0.222 0.000 0.923 381 S N -0.123 115.702 115.700 0.209 0.000 2.419 381 S HA -0.137 4.334 4.470 0.002 0.000 0.233 381 S C 0.712 175.396 174.600 0.140 0.000 1.016 381 S CA 0.842 59.153 58.200 0.185 0.000 0.974 381 S CB -0.723 62.542 63.200 0.110 0.000 0.786 381 S HN 0.496 nan 8.310 nan 0.000 0.492 382 D N 0.978 121.443 120.400 0.108 0.000 2.347 382 D HA 0.358 4.999 4.640 0.002 0.000 0.235 382 D C 1.045 177.260 176.300 -0.141 0.000 1.149 382 D CA -0.381 53.613 54.000 -0.010 0.000 0.850 382 D CB 1.395 42.200 40.800 0.009 0.000 1.061 382 D HN -0.063 nan 8.370 nan 0.000 0.487 383 V N 4.764 124.416 119.914 -0.436 0.000 2.380 383 V HA -0.275 3.846 4.120 0.002 0.000 0.251 383 V C 2.268 177.942 176.094 -0.700 0.000 1.063 383 V CA 1.693 63.349 62.300 -1.073 0.000 1.055 383 V CB -0.509 30.736 31.823 -0.963 0.000 0.657 383 V HN 0.627 nan 8.190 nan 0.000 0.455 384 K N -0.268 119.876 120.400 -0.426 0.000 2.211 384 K HA -0.160 4.161 4.320 0.002 0.000 0.204 384 K C 1.867 178.299 176.600 -0.279 0.000 1.047 384 K CA 1.107 57.125 56.287 -0.449 0.000 0.935 384 K CB -0.102 32.015 32.500 -0.638 0.000 0.728 384 K HN 0.432 nan 8.250 nan 0.000 0.452 385 E N -0.758 119.407 120.200 -0.059 0.000 2.489 385 E HA -0.081 4.270 4.350 0.002 0.000 0.193 385 E C 1.067 177.809 176.600 0.237 0.000 1.057 385 E CA 0.264 56.733 56.400 0.114 0.000 0.866 385 E CB 0.088 29.871 29.700 0.139 0.000 0.916 385 E HN 0.370 nan 8.360 nan 0.000 0.500 386 W N 0.900 122.182 121.300 -0.030 0.000 2.374 386 W HA -0.068 4.593 4.660 0.002 0.000 0.288 386 W C 0.807 177.322 176.519 -0.006 0.000 1.218 386 W CA 0.379 57.743 57.345 0.032 0.000 1.245 386 W CB -0.362 29.160 29.460 0.102 0.000 1.126 386 W HN -0.270 nan 8.180 nan 0.000 0.545 387 V N 1.661 121.636 119.914 0.101 0.000 2.398 387 V HA 0.305 4.426 4.120 0.002 0.000 0.286 387 V C 0.102 176.167 176.094 -0.050 0.000 1.026 387 V CA -1.019 61.204 62.300 -0.128 0.000 0.868 387 V CB 1.310 32.958 31.823 -0.292 0.000 0.982 387 V HN -0.209 nan 8.190 nan 0.000 0.443 388 K N 2.313 122.676 120.400 -0.063 0.000 2.400 388 K HA 0.682 5.003 4.320 0.002 0.000 0.246 388 K C 0.112 176.710 176.600 -0.003 0.000 0.995 388 K CA -0.795 55.483 56.287 -0.016 0.000 0.840 388 K CB 2.314 34.803 32.500 -0.018 0.000 1.293 388 K HN 0.806 nan 8.250 nan 0.000 0.445 389 G N 0.671 109.484 108.800 0.022 0.000 2.403 389 G HA2 0.233 4.194 3.960 0.002 0.000 0.259 389 G HA3 0.233 4.194 3.960 0.002 0.000 0.259 389 G C -1.514 173.448 174.900 0.105 0.000 1.244 389 G CA 0.212 45.337 45.100 0.042 0.000 0.849 389 G HN 0.463 nan 8.290 nan 0.000 0.532 390 Y N 1.517 121.793 120.300 -0.039 0.000 2.391 390 Y HA 0.412 4.963 4.550 0.002 0.000 0.341 390 Y C -0.852 175.035 175.900 -0.022 0.000 0.965 390 Y CA -1.513 56.566 58.100 -0.035 0.000 1.067 390 Y CB 2.283 40.721 38.460 -0.037 0.000 1.199 390 Y HN 0.461 nan 8.280 nan 0.000 0.450 391 D N 5.603 125.611 120.400 -0.653 0.000 2.329 391 D HA 0.220 4.861 4.640 0.002 0.000 0.232 391 D C 0.642 176.422 176.300 -0.866 0.000 1.088 391 D CA -0.172 53.499 54.000 -0.548 0.000 0.835 391 D CB 1.153 41.770 40.800 -0.305 0.000 1.078 391 D HN 0.701 nan 8.370 nan 0.000 0.495 392 R N 2.771 122.961 120.500 -0.517 0.000 2.075 392 R HA -0.102 4.240 4.340 0.002 0.000 0.232 392 R C 1.772 177.958 176.300 -0.190 0.000 1.126 392 R CA 0.635 56.554 56.100 -0.301 0.000 0.963 392 R CB -0.205 30.047 30.300 -0.079 0.000 0.858 392 R HN 0.426 nan 8.270 nan 0.000 0.435 393 K N 0.677 120.983 120.400 -0.156 0.000 2.432 393 K HA -0.026 4.296 4.320 0.002 0.000 0.196 393 K C 0.537 177.079 176.600 -0.096 0.000 1.038 393 K CA 1.108 57.338 56.287 -0.095 0.000 0.986 393 K CB 0.365 32.823 32.500 -0.071 0.000 0.782 393 K HN 0.089 nan 8.250 nan 0.000 0.485 394 T N 0.160 114.624 114.554 -0.149 0.000 2.959 394 T HA 0.120 4.471 4.350 0.002 0.000 0.254 394 T C -0.127 174.513 174.700 -0.100 0.000 1.003 394 T CA -0.363 61.671 62.100 -0.110 0.000 0.950 394 T CB 0.430 69.234 68.868 -0.107 0.000 1.090 394 T HN 0.092 nan 8.240 nan 0.000 0.503 395 K N 0.781 121.072 120.400 -0.182 0.000 3.281 395 K HA -0.115 4.206 4.320 0.002 0.000 0.295 395 K C -0.512 176.132 176.600 0.073 0.000 1.233 395 K CA 0.822 57.092 56.287 -0.030 0.000 0.866 395 K CB -1.311 31.234 32.500 0.075 0.000 1.265 395 K HN 0.324 nan 8.250 nan 0.000 0.482 396 K N 0.911 121.279 120.400 -0.053 0.000 2.259 396 K HA 0.397 4.718 4.320 0.002 0.000 0.252 396 K C 0.425 177.061 176.600 0.059 0.000 0.936 396 K CA -0.470 55.835 56.287 0.030 0.000 0.810 396 K CB 2.109 34.603 32.500 -0.010 0.000 1.143 396 K HN 0.191 nan 8.250 nan 0.000 0.427 397 S N 0.167 115.939 115.700 0.119 0.000 2.608 397 S HA 0.736 5.207 4.470 0.002 0.000 0.291 397 S C -0.213 174.408 174.600 0.035 0.000 1.146 397 S CA -0.514 57.756 58.200 0.116 0.000 1.043 397 S CB 1.466 64.715 63.200 0.083 0.000 1.037 397 S HN 0.375 nan 8.310 nan 0.000 0.520 398 S N 0.825 116.540 115.700 0.025 0.000 2.595 398 S HA 0.632 5.103 4.470 0.002 0.000 0.281 398 S C -0.532 174.073 174.600 0.009 0.000 1.117 398 S CA -0.768 57.436 58.200 0.007 0.000 0.873 398 S CB 1.756 64.953 63.200 -0.005 0.000 1.108 398 S HN 0.906 nan 8.310 nan 0.000 0.477 399 S N 0.500 116.202 115.700 0.004 0.000 2.576 399 S HA 0.353 4.824 4.470 0.002 0.000 0.276 399 S C 0.360 174.953 174.600 -0.012 0.000 1.339 399 S CA -0.524 57.684 58.200 0.013 0.000 1.039 399 S CB -0.150 63.054 63.200 0.006 0.000 0.902 399 S HN 0.585 nan 8.310 nan 0.000 0.516 400 L N 3.537 124.765 121.223 0.008 0.000 2.741 400 L HA 0.250 4.591 4.340 0.002 0.000 0.237 400 L C 1.862 178.586 176.870 -0.244 0.000 1.178 400 L CA -0.271 54.552 54.840 -0.029 0.000 0.973 400 L CB -0.302 41.802 42.059 0.075 0.000 1.255 400 L HN 0.603 nan 8.230 nan 0.000 0.498 401 K N 2.179 122.341 120.400 -0.396 0.000 1.988 401 K HA -0.154 4.168 4.320 0.002 0.000 0.221 401 K C 1.732 178.079 176.600 -0.421 0.000 1.053 401 K CA 2.112 57.978 56.287 -0.702 0.000 0.959 401 K CB -0.718 31.588 32.500 -0.324 0.000 0.728 401 K HN 0.219 nan 8.250 nan 0.000 0.447 402 G N -1.627 107.043 108.800 -0.216 0.000 3.262 402 G HA2 0.328 4.289 3.960 0.002 0.000 0.228 402 G HA3 0.328 4.289 3.960 0.002 0.000 0.228 402 G C 0.363 175.202 174.900 -0.103 0.000 1.197 402 G CA 0.531 45.550 45.100 -0.134 0.000 0.819 402 G HN 0.720 nan 8.290 nan 0.000 0.531 403 A N -0.516 122.233 122.820 -0.118 0.000 2.847 403 A HA -0.238 4.083 4.320 0.002 0.000 0.263 403 A C 1.934 179.490 177.584 -0.048 0.000 1.391 403 A CA 1.595 53.592 52.037 -0.067 0.000 0.866 403 A CB -2.020 16.953 19.000 -0.046 0.000 1.057 403 A HN 0.877 nan 8.150 nan 0.000 0.673 404 S N -0.621 115.046 115.700 -0.054 0.000 2.436 404 S HA 0.245 4.716 4.470 0.002 0.000 0.228 404 S C 1.320 175.901 174.600 -0.031 0.000 1.014 404 S CA 1.265 59.441 58.200 -0.040 0.000 0.950 404 S CB -0.392 62.783 63.200 -0.041 0.000 0.784 404 S HN 1.940 nan 8.310 nan 0.000 0.504 405 G N 2.059 110.841 108.800 -0.030 0.000 2.367 405 G HA2 0.217 4.178 3.960 0.002 0.000 0.282 405 G HA3 0.217 4.178 3.960 0.002 0.000 0.282 405 G C 0.572 175.463 174.900 -0.015 0.000 1.140 405 G CA -0.386 44.703 45.100 -0.019 0.000 1.088 405 G HN 0.680 nan 8.290 nan 0.000 0.431 406 K N 2.340 122.729 120.400 -0.018 0.000 2.379 406 K HA 0.178 4.499 4.320 0.002 0.000 0.194 406 K C 1.263 177.855 176.600 -0.014 0.000 1.031 406 K CA 0.097 56.374 56.287 -0.016 0.000 1.037 406 K CB 0.407 32.894 32.500 -0.021 0.000 0.824 406 K HN 0.408 nan 8.250 nan 0.000 0.516 407 G N 1.410 110.202 108.800 -0.014 0.000 2.712 407 G HA2 0.003 3.964 3.960 0.002 0.000 0.258 407 G HA3 0.003 3.964 3.960 0.002 0.000 0.258 407 G C -0.714 174.200 174.900 0.024 0.000 1.241 407 G CA -0.539 44.556 45.100 -0.008 0.000 0.923 407 G HN 0.214 nan 8.290 nan 0.000 0.548 408 D N 0.234 120.667 120.400 0.055 0.000 2.414 408 D HA 0.031 4.672 4.640 0.002 0.000 0.242 408 D C 0.212 176.552 176.300 0.067 0.000 1.129 408 D CA 0.151 54.193 54.000 0.071 0.000 0.885 408 D CB 0.506 41.373 40.800 0.112 0.000 1.198 408 D HN 0.124 nan 8.370 nan 0.000 0.437 409 N N 1.627 120.338 118.700 0.019 0.000 2.431 409 N HA 0.235 4.976 4.740 0.002 0.000 0.265 409 N C 0.056 175.527 175.510 -0.064 0.000 1.184 409 N CA -0.015 53.013 53.050 -0.036 0.000 0.943 409 N CB 0.537 38.985 38.487 -0.065 0.000 1.080 409 N HN 0.417 nan 8.380 nan 0.000 0.477 410 I N -2.032 118.475 120.570 -0.106 0.000 3.074 410 I HA 0.595 4.766 4.170 0.002 0.000 0.310 410 I C -1.006 174.999 176.117 -0.187 0.000 1.153 410 I CA -1.089 60.142 61.300 -0.115 0.000 0.993 410 I CB 1.460 39.385 38.000 -0.125 0.000 1.237 410 I HN -0.036 nan 8.210 nan 0.000 0.443 411 F N 1.775 121.711 119.950 -0.023 0.000 2.394 411 F HA 0.455 4.983 4.527 0.002 0.000 0.340 411 F C 0.768 176.466 175.800 -0.170 0.000 1.105 411 F CA 0.075 58.066 58.000 -0.014 0.000 1.124 411 F CB 1.349 40.400 39.000 0.086 0.000 1.145 411 F HN 0.504 nan 8.300 nan 0.000 0.505 412 Q N 3.106 122.887 119.800 -0.032 0.000 2.563 412 Q HA 0.268 4.609 4.340 0.002 0.000 0.367 412 Q C -1.371 174.483 176.000 -0.243 0.000 0.845 412 Q CA -0.132 55.433 55.803 -0.395 0.000 1.077 412 Q CB 1.345 29.784 28.738 -0.499 0.000 1.409 412 Q HN 0.410 nan 8.270 nan 0.000 0.396 413 V N 1.367 121.157 119.914 -0.206 0.000 2.567 413 V HA 0.282 4.404 4.120 0.002 0.000 0.289 413 V C 0.017 175.825 176.094 -0.477 0.000 1.049 413 V CA -0.280 61.710 62.300 -0.517 0.000 0.969 413 V CB 1.672 32.970 31.823 -0.875 0.000 0.995 413 V HN 0.380 nan 8.190 nan 0.000 0.471 414 Q N 3.089 122.602 119.800 -0.479 0.000 2.327 414 Q HA 0.504 4.845 4.340 0.002 0.000 0.270 414 Q C -1.890 173.915 176.000 -0.324 0.000 1.022 414 Q CA -0.562 55.034 55.803 -0.345 0.000 0.773 414 Q CB 1.287 29.953 28.738 -0.121 0.000 1.251 414 Q HN 0.594 nan 8.270 nan 0.000 0.457 415 F N 3.234 123.098 119.950 -0.142 0.000 2.408 415 F HA 0.374 4.902 4.527 0.002 0.000 0.344 415 F C -0.321 175.378 175.800 -0.169 0.000 1.112 415 F CA -0.994 56.919 58.000 -0.145 0.000 1.096 415 F CB 0.986 39.885 39.000 -0.167 0.000 1.129 415 F HN 0.465 nan 8.300 nan 0.000 0.486 416 L N 4.946 126.209 121.223 0.067 0.000 2.321 416 L HA 0.404 4.746 4.340 0.002 0.000 0.272 416 L C -0.014 176.776 176.870 -0.132 0.000 1.050 416 L CA -0.395 54.410 54.840 -0.059 0.000 0.893 416 L CB 0.550 42.583 42.059 -0.043 0.000 1.272 416 L HN 0.469 nan 8.230 nan 0.000 0.435 417 V N 0.535 120.300 119.914 -0.249 0.000 3.234 417 V HA 0.811 4.933 4.120 0.002 0.000 0.317 417 V C -0.095 175.809 176.094 -0.317 0.000 1.081 417 V CA -0.725 61.355 62.300 -0.367 0.000 1.037 417 V CB 1.940 33.309 31.823 -0.756 0.000 1.148 417 V HN 0.612 nan 8.190 nan 0.000 0.453 418 K N 0.322 120.440 120.400 -0.470 0.000 2.512 418 K HA 0.641 4.962 4.320 0.002 0.000 0.263 418 K C -1.421 174.988 176.600 -0.319 0.000 0.966 418 K CA -0.335 55.682 56.287 -0.450 0.000 0.851 418 K CB 2.142 34.164 32.500 -0.796 0.000 1.395 418 K HN 1.053 nan 8.250 nan 0.000 0.440 419 D N 0.188 120.561 120.400 -0.045 0.000 2.585 419 D HA 0.586 5.227 4.640 0.002 0.000 0.254 419 D C 0.052 176.486 176.300 0.224 0.000 1.067 419 D CA -0.157 53.917 54.000 0.124 0.000 1.090 419 D CB 1.981 42.791 40.800 0.017 0.000 1.408 419 D HN 0.439 nan 8.370 nan 0.000 0.554 420 A N -0.243 122.686 122.820 0.182 0.000 1.970 420 A HA -0.026 4.295 4.320 0.002 0.000 0.216 420 A C 1.841 179.449 177.584 0.041 0.000 1.170 420 A CA 1.879 53.987 52.037 0.117 0.000 0.645 420 A CB -0.695 18.315 19.000 0.017 0.000 0.816 420 A HN 0.478 nan 8.150 nan 0.000 0.447 421 S N -1.883 113.825 115.700 0.014 0.000 2.496 421 S HA -0.024 4.447 4.470 0.002 0.000 0.224 421 S C 1.403 176.008 174.600 0.008 0.000 0.996 421 S CA 1.418 59.608 58.200 -0.017 0.000 0.927 421 S CB -0.404 62.781 63.200 -0.024 0.000 0.774 421 S HN 0.344 nan 8.310 nan 0.000 0.524 422 T N 1.347 115.925 114.554 0.041 0.000 3.060 422 T HA 0.193 4.544 4.350 0.002 0.000 0.249 422 T C 1.506 176.272 174.700 0.110 0.000 1.079 422 T CA 0.339 62.490 62.100 0.086 0.000 1.013 422 T CB -0.087 68.847 68.868 0.109 0.000 0.975 422 T HN 0.338 nan 8.240 nan 0.000 0.518 423 Q N 1.578 121.450 119.800 0.119 0.000 2.182 423 Q HA -0.144 4.197 4.340 0.002 0.000 0.213 423 Q C 1.726 177.791 176.000 0.108 0.000 1.000 423 Q CA 1.825 57.719 55.803 0.151 0.000 0.889 423 Q CB -0.576 28.247 28.738 0.141 0.000 0.932 423 Q HN 0.518 nan 8.270 nan 0.000 0.415 424 L N 0.306 121.571 121.223 0.069 0.000 2.307 424 L HA 0.041 4.382 4.340 0.002 0.000 0.211 424 L C 0.742 177.636 176.870 0.040 0.000 1.099 424 L CA 0.111 54.982 54.840 0.050 0.000 0.816 424 L CB -0.734 41.346 42.059 0.035 0.000 0.952 424 L HN 0.286 nan 8.230 nan 0.000 0.455 425 N N -0.034 118.692 118.700 0.043 0.000 2.326 425 N HA -0.149 4.592 4.740 0.002 0.000 0.239 425 N C 0.111 175.632 175.510 0.019 0.000 1.301 425 N CA -0.011 53.057 53.050 0.029 0.000 0.909 425 N CB -0.011 38.501 38.487 0.040 0.000 1.156 425 N HN 0.014 nan 8.380 nan 0.000 0.462 426 N N -0.171 118.527 118.700 -0.003 0.000 2.455 426 N HA 0.043 4.784 4.740 0.002 0.000 0.258 426 N C -1.078 174.390 175.510 -0.069 0.000 1.158 426 N CA -0.337 52.698 53.050 -0.025 0.000 0.893 426 N CB -0.308 38.166 38.487 -0.021 0.000 1.173 426 N HN 0.401 nan 8.380 nan 0.000 0.503 427 N N -0.381 118.262 118.700 -0.096 0.000 2.381 427 N HA 0.444 5.185 4.740 0.002 0.000 0.294 427 N C -1.168 174.122 175.510 -0.367 0.000 1.216 427 N CA -0.030 52.857 53.050 -0.272 0.000 0.803 427 N CB 2.030 40.302 38.487 -0.359 0.000 1.372 427 N HN -0.063 nan 8.380 nan 0.000 0.500 428 T N 0.821 115.014 114.554 -0.602 0.000 2.971 428 T HA 0.433 4.785 4.350 0.002 0.000 0.304 428 T C -1.245 172.991 174.700 -0.773 0.000 1.038 428 T CA -0.460 61.346 62.100 -0.491 0.000 1.007 428 T CB 0.565 69.278 68.868 -0.260 0.000 1.055 428 T HN 0.210 nan 8.240 nan 0.000 0.451 429 Y N 0.966 121.005 120.300 -0.435 0.000 2.387 429 Y HA 0.555 5.106 4.550 0.002 0.000 0.336 429 Y C 0.966 176.613 175.900 -0.422 0.000 1.067 429 Y CA -1.241 56.462 58.100 -0.662 0.000 1.114 429 Y CB 1.050 38.684 38.460 -1.377 0.000 1.208 429 Y HN 0.288 nan 8.280 nan 0.000 0.458 430 R N 1.871 122.315 120.500 -0.093 0.000 2.216 430 R HA 0.500 4.841 4.340 0.002 0.000 0.332 430 R C -1.424 174.987 176.300 0.184 0.000 1.056 430 R CA -0.404 55.727 56.100 0.050 0.000 0.901 430 R CB 0.608 30.973 30.300 0.108 0.000 1.039 430 R HN 0.442 nan 8.270 nan 0.000 0.456 431 V N 6.451 126.388 119.914 0.040 0.000 2.444 431 V HA 0.342 4.463 4.120 0.002 0.000 0.294 431 V C 0.006 176.066 176.094 -0.057 0.000 1.022 431 V CA -0.728 61.607 62.300 0.058 0.000 0.850 431 V CB 1.698 33.473 31.823 -0.081 0.000 0.992 431 V HN 0.599 nan 8.190 nan 0.000 0.426 432 L N 4.964 126.103 121.223 -0.140 0.000 2.360 432 L HA 0.585 4.926 4.340 0.002 0.000 0.271 432 L C -0.368 176.331 176.870 -0.286 0.000 1.057 432 L CA -0.698 53.930 54.840 -0.353 0.000 0.803 432 L CB 1.467 43.072 42.059 -0.755 0.000 1.207 432 L HN 0.470 nan 8.230 nan 0.000 0.445 433 L N 2.514 123.583 121.223 -0.257 0.000 2.637 433 L HA 0.383 4.724 4.340 0.002 0.000 0.241 433 L C -1.289 175.648 176.870 0.111 0.000 1.398 433 L CA -0.080 54.630 54.840 -0.217 0.000 0.895 433 L CB -0.076 41.663 42.059 -0.533 0.000 1.183 433 L HN 0.229 nan 8.230 nan 0.000 0.497 434 Y N 0.458 120.657 120.300 -0.168 0.000 2.404 434 Y HA 0.368 4.919 4.550 0.002 0.000 0.344 434 Y C 1.592 177.441 175.900 -0.085 0.000 0.970 434 Y CA -0.924 57.101 58.100 -0.126 0.000 1.180 434 Y CB 0.996 39.361 38.460 -0.157 0.000 1.138 434 Y HN 0.496 nan 8.280 nan 0.000 0.510 435 T N -1.340 113.271 114.554 0.095 0.000 3.278 435 T HA -0.032 4.319 4.350 0.002 0.000 0.251 435 T C 1.343 176.039 174.700 -0.006 0.000 1.039 435 T CA -0.287 61.862 62.100 0.082 0.000 0.935 435 T CB 0.089 69.082 68.868 0.209 0.000 1.034 435 T HN 0.584 nan 8.240 nan 0.000 0.575 436 Q N 1.646 121.364 119.800 -0.136 0.000 2.124 436 Q HA -0.143 4.199 4.340 0.002 0.000 0.202 436 Q C 0.438 176.388 176.000 -0.082 0.000 0.977 436 Q CA 1.590 57.225 55.803 -0.280 0.000 0.850 436 Q CB -0.480 27.792 28.738 -0.776 0.000 0.901 436 Q HN 0.479 nan 8.270 nan 0.000 0.429 437 D N 0.210 120.594 120.400 -0.028 0.000 2.358 437 D HA 0.234 4.875 4.640 0.002 0.000 0.224 437 D C 0.590 176.914 176.300 0.039 0.000 1.123 437 D CA 0.669 54.683 54.000 0.023 0.000 0.833 437 D CB 0.549 41.367 40.800 0.029 0.000 0.946 437 D HN 0.533 nan 8.370 nan 0.000 0.505 438 G N 0.893 109.719 108.800 0.044 0.000 2.179 438 G HA2 -0.276 3.685 3.960 0.002 0.000 0.260 438 G HA3 -0.276 3.685 3.960 0.002 0.000 0.260 438 G C 0.318 175.257 174.900 0.065 0.000 0.977 438 G CA -0.295 44.842 45.100 0.062 0.000 0.641 438 G HN 0.361 nan 8.290 nan 0.000 0.533 439 L N 0.706 121.962 121.223 0.055 0.000 2.315 439 L HA 0.464 4.805 4.340 0.002 0.000 0.283 439 L C 1.672 178.571 176.870 0.048 0.000 1.089 439 L CA 0.734 55.605 54.840 0.052 0.000 0.833 439 L CB 0.704 42.786 42.059 0.038 0.000 1.170 439 L HN 0.963 nan 8.230 nan 0.000 0.442 440 G N 2.723 111.559 108.800 0.060 0.000 2.221 440 G HA2 -0.322 3.639 3.960 0.002 0.000 0.265 440 G HA3 -0.322 3.639 3.960 0.002 0.000 0.265 440 G C 0.969 175.912 174.900 0.072 0.000 1.041 440 G CA 0.434 45.565 45.100 0.052 0.000 0.807 440 G HN 0.856 nan 8.290 nan 0.000 0.502 441 A N 1.026 123.917 122.820 0.120 0.000 1.898 441 A HA -0.037 4.284 4.320 0.002 0.000 0.216 441 A C 2.176 179.875 177.584 0.193 0.000 1.181 441 A CA 1.947 54.100 52.037 0.193 0.000 0.620 441 A CB -0.363 18.747 19.000 0.184 0.000 0.819 441 A HN 1.112 nan 8.150 nan 0.000 0.442 442 N N -0.654 118.132 118.700 0.143 0.000 2.571 442 N HA -0.092 4.650 4.740 0.002 0.000 0.189 442 N C 1.112 176.666 175.510 0.074 0.000 1.154 442 N CA 0.547 53.667 53.050 0.116 0.000 0.907 442 N CB -0.802 37.733 38.487 0.079 0.000 0.977 442 N HN 0.383 nan 8.380 nan 0.000 0.449 443 F N 1.495 121.364 119.950 -0.135 0.000 2.043 443 F HA -0.153 4.375 4.527 0.002 0.000 0.297 443 F C 1.213 176.824 175.800 -0.314 0.000 1.118 443 F CA 1.687 59.503 58.000 -0.307 0.000 1.202 443 F CB -0.388 38.275 39.000 -0.562 0.000 0.965 443 F HN -0.062 nan 8.300 nan 0.000 0.482 444 F N 0.710 120.660 119.950 -0.001 0.000 2.804 444 F HA 0.098 4.626 4.527 0.002 0.000 0.303 444 F C 1.235 177.038 175.800 0.005 0.000 1.154 444 F CA 0.464 58.451 58.000 -0.022 0.000 1.401 444 F CB -0.916 38.131 39.000 0.077 0.000 1.106 444 F HN 0.096 nan 8.300 nan 0.000 0.568 445 N N -0.478 118.300 118.700 0.129 0.000 2.857 445 N HA -0.208 4.534 4.740 0.002 0.000 0.242 445 N C -0.212 175.389 175.510 0.152 0.000 0.983 445 N CA 0.899 54.009 53.050 0.100 0.000 0.934 445 N CB -1.158 37.355 38.487 0.043 0.000 1.115 445 N HN 0.249 nan 8.380 nan 0.000 0.593 446 V N 1.133 121.193 119.914 0.244 0.000 2.444 446 V HA 0.298 4.419 4.120 0.002 0.000 0.294 446 V C 0.205 176.501 176.094 0.337 0.000 1.022 446 V CA -0.822 61.624 62.300 0.244 0.000 0.850 446 V CB 1.765 33.726 31.823 0.231 0.000 0.992 446 V HN 0.108 nan 8.190 nan 0.000 0.426 447 K N 5.142 125.688 120.400 0.244 0.000 2.382 447 K HA 0.561 4.883 4.320 0.002 0.000 0.275 447 K C 0.389 177.117 176.600 0.214 0.000 1.009 447 K CA 0.253 56.689 56.287 0.248 0.000 0.970 447 K CB 0.942 33.530 32.500 0.146 0.000 0.934 447 K HN 0.947 nan 8.250 nan 0.000 0.479 448 A N 3.336 126.248 122.820 0.154 0.000 2.561 448 A HA 0.038 4.359 4.320 0.002 0.000 0.234 448 A C -0.170 177.346 177.584 -0.112 0.000 1.055 448 A CA 0.478 52.386 52.037 -0.215 0.000 0.756 448 A CB 0.149 18.910 19.000 -0.399 0.000 0.986 448 A HN 0.869 nan 8.150 nan 0.000 0.505 449 D N -0.023 120.288 120.400 -0.149 0.000 2.653 449 D HA 0.114 4.755 4.640 0.002 0.000 0.258 449 D C -1.073 175.180 176.300 -0.078 0.000 1.252 449 D CA -0.575 53.382 54.000 -0.072 0.000 0.777 449 D CB 0.916 41.702 40.800 -0.023 0.000 1.339 449 D HN 0.422 nan 8.370 nan 0.000 0.422 450 N N 2.081 120.760 118.700 -0.034 0.000 2.423 450 N HA 0.036 4.778 4.740 0.002 0.000 0.275 450 N C 1.181 176.678 175.510 -0.022 0.000 1.283 450 N CA 0.238 53.288 53.050 0.000 0.000 0.932 450 N CB 0.235 38.741 38.487 0.032 0.000 1.185 450 N HN 0.420 nan 8.380 nan 0.000 0.483 451 L N 3.086 124.257 121.223 -0.087 0.000 2.362 451 L HA -0.110 4.231 4.340 0.002 0.000 0.219 451 L C 1.642 178.386 176.870 -0.210 0.000 1.134 451 L CA 0.638 55.372 54.840 -0.176 0.000 0.807 451 L CB -0.355 41.548 42.059 -0.261 0.000 0.927 451 L HN 0.599 nan 8.230 nan 0.000 0.447 452 H N 0.181 119.222 119.070 -0.049 0.000 2.502 452 H HA -0.006 4.551 4.556 0.002 0.000 0.283 452 H C 1.667 176.974 175.328 -0.035 0.000 1.015 452 H CA 0.901 56.923 56.048 -0.042 0.000 1.298 452 H CB 0.484 30.225 29.762 -0.034 0.000 1.411 452 H HN 0.423 nan 8.280 nan 0.000 0.556 453 K N 0.203 120.646 120.400 0.072 0.000 2.273 453 K HA 0.015 4.336 4.320 0.002 0.000 0.206 453 K C 0.809 177.412 176.600 0.005 0.000 1.072 453 K CA -0.191 56.116 56.287 0.034 0.000 0.953 453 K CB 0.436 32.955 32.500 0.031 0.000 1.043 453 K HN -0.092 nan 8.250 nan 0.000 0.477 454 N N 1.456 120.152 118.700 -0.007 0.000 2.399 454 N HA 0.095 4.836 4.740 0.002 0.000 0.259 454 N C 0.217 175.710 175.510 -0.029 0.000 1.160 454 N CA -0.035 53.007 53.050 -0.014 0.000 0.946 454 N CB 1.344 39.824 38.487 -0.011 0.000 1.156 454 N HN 0.210 nan 8.380 nan 0.000 0.489 455 A N 3.800 126.605 122.820 -0.024 0.000 1.898 455 A HA -0.113 4.208 4.320 0.002 0.000 0.216 455 A C 1.615 179.179 177.584 -0.033 0.000 1.181 455 A CA 1.164 53.181 52.037 -0.033 0.000 0.620 455 A CB -0.183 18.803 19.000 -0.024 0.000 0.819 455 A HN 0.669 nan 8.150 nan 0.000 0.442 456 D N 0.392 120.781 120.400 -0.018 0.000 2.123 456 D HA -0.135 4.506 4.640 0.002 0.000 0.196 456 D C 2.191 178.486 176.300 -0.009 0.000 0.992 456 D CA 1.692 55.686 54.000 -0.009 0.000 0.833 456 D CB -0.416 40.386 40.800 0.003 0.000 0.954 456 D HN 0.438 nan 8.370 nan 0.000 0.455 457 A N 0.835 123.650 122.820 -0.009 0.000 1.930 457 A HA -0.153 4.168 4.320 0.002 0.000 0.217 457 A C 2.191 179.750 177.584 -0.042 0.000 1.175 457 A CA 1.013 53.050 52.037 -0.000 0.000 0.627 457 A CB -0.343 18.662 19.000 0.008 0.000 0.815 457 A HN 0.050 nan 8.150 nan 0.000 0.443 458 R N -0.160 120.293 120.500 -0.079 0.000 2.066 458 R HA -0.129 4.212 4.340 0.002 0.000 0.232 458 R C 1.833 178.050 176.300 -0.138 0.000 1.131 458 R CA 1.517 57.534 56.100 -0.140 0.000 0.955 458 R CB -0.166 30.048 30.300 -0.143 0.000 0.851 458 R HN 0.328 nan 8.270 nan 0.000 0.432 459 K N 1.006 121.353 120.400 -0.088 0.000 2.026 459 K HA -0.178 4.143 4.320 0.002 0.000 0.208 459 K C 1.959 178.524 176.600 -0.060 0.000 1.048 459 K CA 1.283 57.528 56.287 -0.070 0.000 0.929 459 K CB -0.434 32.042 32.500 -0.041 0.000 0.713 459 K HN 0.014 nan 8.250 nan 0.000 0.439 460 K N 1.603 121.981 120.400 -0.036 0.000 2.032 460 K HA -0.057 4.264 4.320 0.002 0.000 0.209 460 K C 2.116 178.700 176.600 -0.027 0.000 1.048 460 K CA 1.194 57.479 56.287 -0.004 0.000 0.927 460 K CB -0.423 32.096 32.500 0.031 0.000 0.712 460 K HN 0.102 nan 8.250 nan 0.000 0.441 461 L N 0.234 121.394 121.223 -0.105 0.000 2.156 461 L HA -0.085 4.256 4.340 0.002 0.000 0.208 461 L C 2.247 178.958 176.870 -0.266 0.000 1.095 461 L CA 1.232 55.937 54.840 -0.226 0.000 0.770 461 L CB -0.385 41.473 42.059 -0.335 0.000 0.914 461 L HN 0.308 nan 8.230 nan 0.000 0.439 462 E N 0.056 120.109 120.200 -0.245 0.000 2.106 462 E HA -0.201 4.150 4.350 0.002 0.000 0.192 462 E C 1.583 178.138 176.600 -0.076 0.000 0.984 462 E CA 1.010 57.286 56.400 -0.206 0.000 0.806 462 E CB 0.028 29.625 29.700 -0.172 0.000 0.750 462 E HN 0.462 nan 8.360 nan 0.000 0.458 463 D N 0.219 120.597 120.400 -0.036 0.000 2.117 463 D HA -0.066 4.575 4.640 0.002 0.000 0.198 463 D C 1.993 178.332 176.300 0.065 0.000 0.982 463 D CA 0.884 54.892 54.000 0.014 0.000 0.828 463 D CB -0.090 40.722 40.800 0.021 0.000 0.967 463 D HN -0.032 nan 8.370 nan 0.000 0.464 464 S N 0.446 116.210 115.700 0.106 0.000 2.428 464 S HA -0.032 4.439 4.470 0.002 0.000 0.230 464 S C 2.045 176.818 174.600 0.288 0.000 1.014 464 S CA 0.758 59.090 58.200 0.220 0.000 0.957 464 S CB 0.054 63.466 63.200 0.353 0.000 0.784 464 S HN 0.323 nan 8.310 nan 0.000 0.499 465 A N 2.442 125.421 122.820 0.266 0.000 1.877 465 A HA -0.184 4.137 4.320 0.002 0.000 0.216 465 A C 2.028 179.746 177.584 0.222 0.000 1.186 465 A CA 1.633 53.887 52.037 0.362 0.000 0.620 465 A CB -0.638 18.503 19.000 0.235 0.000 0.822 465 A HN 0.726 nan 8.150 nan 0.000 0.443 466 E N -0.706 119.569 120.200 0.125 0.000 2.347 466 E HA -0.091 4.260 4.350 0.002 0.000 0.196 466 E C 1.711 178.354 176.600 0.072 0.000 1.008 466 E CA 0.992 57.443 56.400 0.085 0.000 0.852 466 E CB -0.270 29.458 29.700 0.047 0.000 0.783 466 E HN 0.412 nan 8.360 nan 0.000 0.505 467 L N 0.696 121.968 121.223 0.082 0.000 2.095 467 L HA 0.036 4.377 4.340 0.002 0.000 0.204 467 L C 2.176 179.067 176.870 0.036 0.000 1.080 467 L CA 1.206 56.073 54.840 0.044 0.000 0.759 467 L CB -0.114 41.978 42.059 0.055 0.000 0.914 467 L HN 0.177 nan 8.230 nan 0.000 0.439 468 L N -1.106 120.173 121.223 0.092 0.000 2.072 468 L HA -0.156 4.185 4.340 0.002 0.000 0.205 468 L C 2.292 179.185 176.870 0.038 0.000 1.079 468 L CA 1.690 56.564 54.840 0.056 0.000 0.752 468 L CB -0.884 41.229 42.059 0.090 0.000 0.906 468 L HN 0.420 nan 8.230 nan 0.000 0.436 469 T N -3.174 111.431 114.554 0.085 0.000 3.085 469 T HA -0.077 4.274 4.350 0.002 0.000 0.263 469 T C 0.918 175.661 174.700 0.073 0.000 1.127 469 T CA -0.036 62.118 62.100 0.090 0.000 1.103 469 T CB -0.111 68.829 68.868 0.120 0.000 0.921 469 T HN 0.098 nan 8.240 nan 0.000 0.510 470 K N 0.923 121.347 120.400 0.040 0.000 2.355 470 K HA 0.195 4.516 4.320 0.002 0.000 0.270 470 K C -0.216 176.389 176.600 0.008 0.000 1.003 470 K CA -0.787 55.520 56.287 0.032 0.000 0.957 470 K CB 0.158 32.657 32.500 -0.003 0.000 0.939 470 K HN 0.200 nan 8.250 nan 0.000 0.482 471 F N 3.945 123.841 119.950 -0.090 0.000 2.553 471 F HA -0.013 4.516 4.527 0.002 0.000 0.356 471 F C 0.813 176.499 175.800 -0.189 0.000 1.142 471 F CA 1.041 58.953 58.000 -0.146 0.000 1.322 471 F CB -0.159 38.778 39.000 -0.106 0.000 1.126 471 F HN 1.012 nan 8.300 nan 0.000 0.599 472 N N 1.546 119.415 118.700 -1.386 0.000 2.800 472 N HA -0.220 4.521 4.740 0.002 0.000 0.250 472 N C -0.988 174.128 175.510 -0.655 0.000 1.078 472 N CA 0.618 52.988 53.050 -1.133 0.000 0.804 472 N CB -0.791 37.043 38.487 -1.088 0.000 1.135 472 N HN 0.460 nan 8.380 nan 0.000 0.565 473 S N 0.518 115.831 115.700 -0.645 0.000 2.438 473 S HA 0.480 4.951 4.470 0.002 0.000 0.293 473 S C -0.781 173.514 174.600 -0.508 0.000 1.141 473 S CA -0.284 57.683 58.200 -0.389 0.000 1.080 473 S CB 0.685 63.751 63.200 -0.224 0.000 0.978 473 S HN 0.225 nan 8.310 nan 0.000 0.479 474 Y N 0.721 120.965 120.300 -0.093 0.000 2.562 474 Y HA 0.611 5.162 4.550 0.002 0.000 0.343 474 Y C -0.123 175.729 175.900 -0.081 0.000 1.025 474 Y CA -1.086 56.993 58.100 -0.034 0.000 1.082 474 Y CB 1.335 39.772 38.460 -0.039 0.000 1.264 474 Y HN 0.285 nan 8.280 nan 0.000 0.478 475 V N 1.698 121.603 119.914 -0.016 0.000 2.444 475 V HA 0.227 4.348 4.120 0.002 0.000 0.294 475 V C -1.111 174.751 176.094 -0.388 0.000 1.022 475 V CA -0.781 61.390 62.300 -0.215 0.000 0.850 475 V CB 1.553 33.200 31.823 -0.293 0.000 0.992 475 V HN 0.706 nan 8.190 nan 0.000 0.426 476 D N 4.318 124.603 120.400 -0.190 0.000 2.467 476 D HA 0.641 5.283 4.640 0.002 0.000 0.220 476 D C -0.071 176.160 176.300 -0.115 0.000 1.103 476 D CA 0.125 54.032 54.000 -0.155 0.000 0.886 476 D CB 1.208 41.976 40.800 -0.054 0.000 1.025 476 D HN 0.755 nan 8.370 nan 0.000 0.514 477 A N 2.642 125.363 122.820 -0.166 0.000 2.387 477 A HA 0.751 5.072 4.320 0.002 0.000 0.303 477 A C -1.078 176.523 177.584 0.028 0.000 1.145 477 A CA -0.709 51.319 52.037 -0.015 0.000 0.801 477 A CB 1.753 20.784 19.000 0.052 0.000 1.342 477 A HN 0.315 nan 8.150 nan 0.000 0.440 478 V N 1.159 121.112 119.914 0.065 0.000 2.417 478 V HA 0.569 4.691 4.120 0.002 0.000 0.291 478 V C -0.295 175.835 176.094 0.060 0.000 1.024 478 V CA -0.390 61.923 62.300 0.022 0.000 0.861 478 V CB 1.332 33.126 31.823 -0.049 0.000 0.985 478 V HN 1.068 nan 8.190 nan 0.000 0.436 479 V N 1.913 121.881 119.914 0.090 0.000 2.680 479 V HA 0.727 4.849 4.120 0.002 0.000 0.309 479 V C -0.512 175.695 176.094 0.188 0.000 1.052 479 V CA -0.689 61.709 62.300 0.164 0.000 0.908 479 V CB 1.861 33.821 31.823 0.229 0.000 1.001 479 V HN 0.917 nan 8.190 nan 0.000 0.431 480 E N 3.074 123.370 120.200 0.161 0.000 2.179 480 E HA 0.466 4.817 4.350 0.002 0.000 0.275 480 E C -0.558 176.126 176.600 0.140 0.000 0.945 480 E CA -0.957 55.508 56.400 0.108 0.000 0.792 480 E CB 1.689 31.412 29.700 0.039 0.000 1.125 480 E HN 0.813 nan 8.360 nan 0.000 0.397 481 R N 4.016 124.571 120.500 0.091 0.000 2.221 481 R HA 0.316 4.657 4.340 0.002 0.000 0.327 481 R C -0.741 175.498 176.300 -0.102 0.000 1.033 481 R CA -0.290 55.753 56.100 -0.094 0.000 0.887 481 R CB 0.586 30.831 30.300 -0.091 0.000 1.057 481 R HN 0.500 nan 8.270 nan 0.000 0.455 482 R N 3.636 124.063 120.500 -0.122 0.000 2.502 482 R HA 0.123 4.464 4.340 0.002 0.000 0.298 482 R C -0.708 175.567 176.300 -0.043 0.000 1.018 482 R CA -0.953 55.115 56.100 -0.053 0.000 0.899 482 R CB 1.412 31.712 30.300 -0.000 0.000 1.181 482 R HN 0.797 nan 8.270 nan 0.000 0.444 483 N N 1.820 120.474 118.700 -0.077 0.000 2.714 483 N HA -0.229 4.512 4.740 0.002 0.000 0.252 483 N C 0.586 175.893 175.510 -0.339 0.000 1.014 483 N CA 1.646 54.632 53.050 -0.106 0.000 0.735 483 N CB -0.903 37.601 38.487 0.029 0.000 0.924 483 N HN 1.085 nan 8.380 nan 0.000 0.540 484 G N -2.281 106.256 108.800 -0.439 0.000 2.162 484 G HA2 -0.295 3.667 3.960 0.002 0.000 0.260 484 G HA3 -0.295 3.667 3.960 0.002 0.000 0.260 484 G C 0.010 174.350 174.900 -0.934 0.000 0.976 484 G CA 0.541 45.228 45.100 -0.688 0.000 0.655 484 G HN 0.452 nan 8.290 nan 0.000 0.533 485 F N -0.959 118.763 119.950 -0.380 0.000 2.579 485 F HA 0.783 5.311 4.527 0.002 0.000 0.324 485 F C -0.041 175.467 175.800 -0.487 0.000 1.058 485 F CA -1.740 56.044 58.000 -0.360 0.000 0.944 485 F CB 1.245 40.106 39.000 -0.230 0.000 1.245 485 F HN -0.039 nan 8.300 nan 0.000 0.477 486 Y N 2.210 122.564 120.300 0.089 0.000 2.335 486 Y HA 0.621 5.173 4.550 0.002 0.000 0.338 486 Y C -0.505 175.398 175.900 0.004 0.000 0.977 486 Y CA -0.856 57.261 58.100 0.028 0.000 1.114 486 Y CB 1.261 39.728 38.460 0.013 0.000 1.182 486 Y HN 0.233 nan 8.280 nan 0.000 0.463 487 L N 4.794 126.102 121.223 0.141 0.000 2.322 487 L HA 0.476 4.818 4.340 0.002 0.000 0.281 487 L C -0.463 176.442 176.870 0.058 0.000 1.014 487 L CA -0.993 53.864 54.840 0.028 0.000 0.815 487 L CB 1.435 43.481 42.059 -0.021 0.000 1.247 487 L HN 0.460 nan 8.230 nan 0.000 0.421 488 I N 3.723 124.294 120.570 0.003 0.000 2.618 488 I HA 0.126 4.297 4.170 0.002 0.000 0.284 488 I C 0.213 176.333 176.117 0.004 0.000 1.146 488 I CA 0.354 61.654 61.300 0.001 0.000 1.425 488 I CB 0.539 38.437 38.000 -0.170 0.000 1.383 488 I HN 0.727 nan 8.210 nan 0.000 0.562 489 K N 4.377 124.814 120.400 0.061 0.000 2.551 489 K HA 0.323 4.644 4.320 0.002 0.000 0.269 489 K C -0.718 175.960 176.600 0.129 0.000 0.949 489 K CA -0.691 55.645 56.287 0.082 0.000 0.849 489 K CB 1.878 34.420 32.500 0.071 0.000 1.411 489 K HN 0.413 nan 8.250 nan 0.000 0.432 490 D N 0.447 120.931 120.400 0.141 0.000 2.811 490 D HA -0.135 4.506 4.640 0.002 0.000 0.231 490 D C -0.949 175.444 176.300 0.155 0.000 1.157 490 D CA 1.647 55.742 54.000 0.158 0.000 0.716 490 D CB -1.013 39.943 40.800 0.261 0.000 1.077 490 D HN 0.705 nan 8.370 nan 0.000 0.428 491 T N -0.095 114.560 114.554 0.167 0.000 2.909 491 T HA 0.606 4.957 4.350 0.002 0.000 0.299 491 T C 0.000 174.805 174.700 0.174 0.000 1.073 491 T CA -0.946 61.260 62.100 0.177 0.000 0.999 491 T CB 3.093 72.110 68.868 0.248 0.000 1.098 491 T HN 0.255 nan 8.240 nan 0.000 0.477 492 K N 1.064 121.431 120.400 -0.056 0.000 2.556 492 K HA 0.671 4.992 4.320 0.002 0.000 0.274 492 K C -1.656 174.666 176.600 -0.463 0.000 0.966 492 K CA -1.080 55.001 56.287 -0.342 0.000 0.865 492 K CB 1.172 33.570 32.500 -0.170 0.000 1.444 492 K HN 0.256 nan 8.250 nan 0.000 0.433 493 L N 2.530 123.361 121.223 -0.652 0.000 2.439 493 L HA 0.274 4.615 4.340 0.002 0.000 0.269 493 L C 0.715 177.442 176.870 -0.239 0.000 1.179 493 L CA 0.052 54.647 54.840 -0.407 0.000 0.828 493 L CB 0.769 42.616 42.059 -0.353 0.000 1.106 493 L HN 0.815 nan 8.230 nan 0.000 0.467 494 I N -0.773 119.670 120.570 -0.212 0.000 4.050 494 I HA 0.304 4.475 4.170 0.002 0.000 0.327 494 I C -0.568 175.232 176.117 -0.527 0.000 1.473 494 I CA -0.478 60.605 61.300 -0.361 0.000 1.124 494 I CB -0.045 37.671 38.000 -0.472 0.000 1.129 494 I HN 0.312 nan 8.210 nan 0.000 0.428 495 Y N 0.000 120.232 120.300 -0.113 0.000 2.660 495 Y HA 0.000 4.551 4.550 0.002 0.000 0.201 495 Y CA 0.000 58.053 58.100 -0.079 0.000 1.940 495 Y CB 0.000 38.416 38.460 -0.074 0.000 1.050 495 Y HN 0.000 nan 8.280 nan 0.000 0.758