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 2qa0_1_A DATA FIRST_RESID 220 DATA SEQUENCE DGVGSSSGNW HCDSTWLGDR VITTSTRTWA LPTYNNHLYK QISNGTSGGA DATA SEQUENCE TNDNTYFGYS TPWGYFDFNR FHCHFSPRDW QRLINNNWGF RPKRLSFKLF DATA SEQUENCE NIQVKEVTQN EGTKTIANNL TSTIQVFTDS EYQLPYVLGS AHQGCLPPFP DATA SEQUENCE ADVFMIPQYG YLTLNNGSQA VGRSSFYCLE YFPSQMLRTG NNFQFTYTFE DATA SEQUENCE DVPFHSSYAH SQSLDRLMNP LIDQYLYYLS RTQTTGGTAN TQTLGFSQGG DATA SEQUENCE PNTMANQAKN WLPGPCYRQQ RVSTTTGQNN NSNFAWTAGT KYHLNGRNSL DATA SEQUENCE ANPGIAMATH KDDEERFFPS NGILIFGKQN AARDNADYSD VMLTSEEEIK DATA SEQUENCE TTNPVATEEY GIVADNLQQQ NTAPQIGTVN SQGALPGMVW QNRDVYLQGP DATA SEQUENCE IWAKIPHTDG NFHPSPLMGG FGLKHPPPQI LIKNTPVPAD PPTTFNQSKL DATA SEQUENCE NSFITQYSTG QVSVEIEWEL QKENSKRWNP EIQYTSNYYK STSVDFAVNT DATA SEQUENCE EGVYSEPRPI GTRYLTRNL 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 220 D HA 0.000 nan 4.640 nan 0.000 0.175 220 D C 0.000 176.322 176.300 0.036 0.000 2.045 220 D CA 0.000 54.024 54.000 0.040 0.000 0.868 220 D CB 0.000 40.829 40.800 0.049 0.000 0.688 221 G N -0.510 108.309 108.800 0.033 0.000 2.714 221 G HA2 0.481 4.441 3.960 -0.000 0.000 0.292 221 G HA3 0.481 4.441 3.960 -0.000 0.000 0.292 221 G C 0.995 175.911 174.900 0.027 0.000 1.308 221 G CA -0.488 44.628 45.100 0.027 0.000 0.964 221 G HN 0.105 nan 8.290 nan 0.000 0.484 222 V N 0.656 120.582 119.914 0.020 0.000 2.343 222 V HA -0.049 4.071 4.120 -0.000 0.000 0.247 222 V C 2.646 178.748 176.094 0.013 0.000 1.051 222 V CA 2.505 64.814 62.300 0.015 0.000 1.036 222 V CB -0.498 31.330 31.823 0.009 0.000 0.654 222 V HN 0.834 nan 8.190 nan 0.000 0.451 223 G N -1.079 107.728 108.800 0.013 0.000 3.181 223 G HA2 0.135 4.095 3.960 -0.000 0.000 0.219 223 G HA3 0.135 4.095 3.960 -0.000 0.000 0.219 223 G C 0.385 175.294 174.900 0.016 0.000 1.182 223 G CA 0.193 45.299 45.100 0.011 0.000 0.791 223 G HN 0.450 nan 8.290 nan 0.000 0.537 224 S N -0.304 115.409 115.700 0.023 0.000 2.519 224 S HA 0.507 4.977 4.470 -0.000 0.000 0.309 224 S C 0.078 174.703 174.600 0.042 0.000 1.100 224 S CA -0.530 57.687 58.200 0.028 0.000 1.059 224 S CB 1.825 65.041 63.200 0.026 0.000 1.008 224 S HN 0.231 nan 8.310 nan 0.000 0.478 225 S N 1.934 117.662 115.700 0.046 0.000 2.568 225 S HA 0.112 4.582 4.470 -0.000 0.000 0.282 225 S C 1.016 175.665 174.600 0.082 0.000 1.338 225 S CA -0.171 58.074 58.200 0.075 0.000 1.045 225 S CB 0.277 63.521 63.200 0.073 0.000 0.873 225 S HN 0.813 nan 8.310 nan 0.000 0.516 226 S N 2.392 118.173 115.700 0.135 0.000 2.602 226 S HA 0.574 5.044 4.470 -0.000 0.000 0.240 226 S C 0.446 175.085 174.600 0.064 0.000 0.992 226 S CA -0.040 58.230 58.200 0.117 0.000 0.971 226 S CB -0.064 63.230 63.200 0.158 0.000 0.855 226 S HN 1.270 nan 8.310 nan 0.000 0.481 227 G N 0.742 109.560 108.800 0.030 0.000 2.377 227 G HA2 0.378 4.338 3.960 -0.000 0.000 0.297 227 G HA3 0.378 4.338 3.960 -0.000 0.000 0.297 227 G C -1.907 172.878 174.900 -0.193 0.000 1.547 227 G CA -0.864 44.005 45.100 -0.386 0.000 0.833 227 G HN 0.104 nan 8.290 nan 0.000 0.583 228 N N -0.489 117.993 118.700 -0.363 0.000 2.518 228 N HA 0.405 5.145 4.740 -0.000 0.000 0.284 228 N C -0.790 174.557 175.510 -0.272 0.000 1.230 228 N CA -0.559 52.357 53.050 -0.223 0.000 0.941 228 N CB 1.867 40.169 38.487 -0.309 0.000 1.219 228 N HN 0.571 nan 8.380 nan 0.000 0.560 229 W N 2.280 123.417 121.300 -0.271 0.000 2.387 229 W HA 0.152 4.812 4.660 -0.000 0.000 0.310 229 W C -0.943 175.386 176.519 -0.316 0.000 1.181 229 W CA 0.112 57.367 57.345 -0.150 0.000 1.333 229 W CB -0.109 29.315 29.460 -0.061 0.000 1.286 229 W HN 0.365 nan 8.180 nan 0.000 0.455 230 H N 5.484 124.479 119.070 -0.125 0.000 2.638 230 H HA 0.267 4.823 4.556 -0.000 0.000 0.303 230 H C -0.430 174.822 175.328 -0.126 0.000 1.034 230 H CA -0.334 55.668 56.048 -0.077 0.000 1.225 230 H CB 1.301 30.986 29.762 -0.129 0.000 1.394 230 H HN 0.192 nan 8.280 nan 0.000 0.477 231 C N 4.011 123.388 119.300 0.129 0.000 2.522 231 C HA 0.424 4.884 4.460 -0.000 0.000 0.344 231 C C -0.785 174.281 174.990 0.126 0.000 1.104 231 C CA -0.233 58.853 59.018 0.113 0.000 1.317 231 C CB 0.184 28.078 27.740 0.257 0.000 1.896 231 C HN 0.942 nan 8.230 nan 0.000 0.443 232 D N 1.530 121.977 120.400 0.079 0.000 2.804 232 D HA 0.583 5.223 4.640 -0.000 0.000 0.309 232 D C -1.384 174.941 176.300 0.042 0.000 1.311 232 D CA 0.193 54.238 54.000 0.076 0.000 0.765 232 D CB 1.815 42.662 40.800 0.078 0.000 1.293 232 D HN 0.652 nan 8.370 nan 0.000 0.434 233 S N -0.646 115.087 115.700 0.056 0.000 2.543 233 S HA 0.755 5.225 4.470 -0.000 0.000 0.271 233 S C -1.253 173.373 174.600 0.043 0.000 1.148 233 S CA -0.367 57.838 58.200 0.009 0.000 0.914 233 S CB 1.405 64.656 63.200 0.086 0.000 1.096 233 S HN 0.730 nan 8.310 nan 0.000 0.471 234 T N 0.404 114.909 114.554 -0.081 0.000 2.921 234 T HA 0.700 5.050 4.350 -0.000 0.000 0.297 234 T C -1.517 173.109 174.700 -0.123 0.000 1.013 234 T CA -0.514 61.596 62.100 0.016 0.000 0.990 234 T CB 0.509 69.386 68.868 0.015 0.000 1.023 234 T HN 0.680 nan 8.240 nan 0.000 0.447 235 W N 2.858 124.180 121.300 0.038 0.000 2.429 235 W HA 0.643 5.303 4.660 -0.000 0.000 0.314 235 W C 0.500 177.038 176.519 0.031 0.000 1.062 235 W CA -1.180 56.189 57.345 0.041 0.000 1.211 235 W CB 1.286 30.763 29.460 0.028 0.000 1.305 235 W HN 0.593 nan 8.180 nan 0.000 0.476 236 L N 3.063 124.393 121.223 0.177 0.000 2.817 236 L HA 0.453 4.793 4.340 -0.000 0.000 0.248 236 L C 1.333 178.269 176.870 0.109 0.000 1.133 236 L CA 0.672 55.582 54.840 0.118 0.000 0.935 236 L CB 0.299 42.396 42.059 0.062 0.000 1.266 236 L HN 0.834 nan 8.230 nan 0.000 0.535 237 G N 0.802 109.687 108.800 0.141 0.000 1.775 237 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.059 237 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.059 237 G C -0.481 174.491 174.900 0.120 0.000 1.152 237 G CA 0.201 45.364 45.100 0.106 0.000 1.107 237 G HN 0.163 nan 8.290 nan 0.000 0.323 238 D N 1.247 121.709 120.400 0.103 0.000 2.358 238 D HA 0.276 4.916 4.640 -0.000 0.000 0.224 238 D C 0.527 176.916 176.300 0.149 0.000 1.123 238 D CA 0.133 54.205 54.000 0.119 0.000 0.833 238 D CB 0.244 41.106 40.800 0.104 0.000 0.946 238 D HN 0.337 nan 8.370 nan 0.000 0.505 239 R N -0.230 120.347 120.500 0.129 0.000 2.808 239 R HA 0.680 5.020 4.340 -0.000 0.000 0.272 239 R C -1.281 175.031 176.300 0.020 0.000 0.995 239 R CA -1.119 55.041 56.100 0.100 0.000 0.917 239 R CB 2.189 32.525 30.300 0.061 0.000 1.217 239 R HN -0.010 nan 8.270 nan 0.000 0.471 240 V N 2.683 122.554 119.914 -0.071 0.000 2.733 240 V HA 0.558 4.678 4.120 -0.000 0.000 0.306 240 V C -1.223 174.766 176.094 -0.175 0.000 1.084 240 V CA -0.714 61.338 62.300 -0.414 0.000 0.905 240 V CB 1.972 33.149 31.823 -1.077 0.000 1.010 240 V HN 0.666 nan 8.190 nan 0.000 0.424 241 I N 6.371 126.803 120.570 -0.229 0.000 2.362 241 I HA 0.489 4.659 4.170 -0.000 0.000 0.289 241 I C 0.315 176.346 176.117 -0.143 0.000 0.994 241 I CA -0.366 60.868 61.300 -0.110 0.000 1.158 241 I CB 2.244 40.182 38.000 -0.103 0.000 1.315 241 I HN 0.781 nan 8.210 nan 0.000 0.451 242 T N 1.271 115.784 114.554 -0.070 0.000 2.902 242 T HA 0.662 5.012 4.350 -0.000 0.000 0.283 242 T C -0.213 174.460 174.700 -0.045 0.000 1.009 242 T CA -0.603 61.434 62.100 -0.104 0.000 1.051 242 T CB 1.767 70.524 68.868 -0.186 0.000 0.999 242 T HN 0.494 nan 8.240 nan 0.000 0.474 243 T N 2.036 116.572 114.554 -0.030 0.000 3.109 243 T HA 0.644 4.994 4.350 -0.000 0.000 0.311 243 T C -0.825 173.866 174.700 -0.014 0.000 1.011 243 T CA -0.915 61.167 62.100 -0.031 0.000 1.026 243 T CB 1.377 70.221 68.868 -0.041 0.000 1.047 243 T HN 1.013 nan 8.240 nan 0.000 0.448 244 S N 1.732 117.409 115.700 -0.037 0.000 2.541 244 S HA 0.846 5.316 4.470 -0.000 0.000 0.280 244 S C -0.754 173.738 174.600 -0.180 0.000 1.112 244 S CA -0.791 57.365 58.200 -0.074 0.000 0.925 244 S CB 2.052 65.229 63.200 -0.039 0.000 1.067 244 S HN 0.502 nan 8.310 nan 0.000 0.479 245 T N 2.931 117.270 114.554 -0.359 0.000 2.887 245 T HA 0.776 5.126 4.350 -0.000 0.000 0.288 245 T C -0.744 173.596 174.700 -0.600 0.000 1.021 245 T CA -0.912 60.796 62.100 -0.653 0.000 1.000 245 T CB 1.148 69.190 68.868 -1.377 0.000 1.034 245 T HN 0.600 nan 8.240 nan 0.000 0.467 246 R N 0.768 121.062 120.500 -0.343 0.000 2.764 246 R HA 0.589 4.929 4.340 -0.000 0.000 0.270 246 R C -1.075 175.336 176.300 0.184 0.000 1.014 246 R CA -0.785 55.365 56.100 0.083 0.000 0.904 246 R CB 1.726 32.224 30.300 0.330 0.000 1.236 246 R HN 0.570 nan 8.270 nan 0.000 0.466 247 T N 2.782 117.528 114.554 0.319 0.000 2.795 247 T HA 0.561 4.911 4.350 -0.000 0.000 0.282 247 T C -0.308 174.431 174.700 0.065 0.000 0.980 247 T CA -0.608 61.547 62.100 0.093 0.000 1.012 247 T CB 0.618 69.543 68.868 0.095 0.000 0.936 247 T HN 0.423 nan 8.240 nan 0.000 0.457 248 W N 0.870 122.091 121.300 -0.131 0.000 2.850 248 W HA 0.858 5.518 4.660 -0.000 0.000 0.349 248 W C -1.301 175.049 176.519 -0.282 0.000 1.133 248 W CA -1.720 55.326 57.345 -0.498 0.000 1.117 248 W CB 1.314 30.398 29.460 -0.627 0.000 1.442 248 W HN 0.703 nan 8.180 nan 0.000 0.575 249 A N 2.235 125.087 122.820 0.054 0.000 2.422 249 A HA 0.717 5.037 4.320 -0.000 0.000 0.302 249 A C -2.189 175.496 177.584 0.168 0.000 1.041 249 A CA -0.711 51.391 52.037 0.109 0.000 0.708 249 A CB 1.867 20.850 19.000 -0.028 0.000 1.257 249 A HN 0.666 nan 8.150 nan 0.000 0.414 250 L N 4.658 126.030 121.223 0.248 0.000 2.372 250 L HA 0.709 5.049 4.340 -0.000 0.000 0.274 250 L C -2.553 174.299 176.870 -0.030 0.000 0.988 250 L CA -1.531 53.346 54.840 0.062 0.000 0.833 250 L CB 2.206 44.321 42.059 0.093 0.000 1.236 250 L HN 0.539 nan 8.230 nan 0.000 0.410 251 P HA 0.299 nan 4.420 nan 0.000 0.297 251 P C -0.894 176.153 177.300 -0.422 0.000 1.307 251 P CA -0.400 62.505 63.100 -0.324 0.000 0.773 251 P CB 0.902 32.308 31.700 -0.490 0.000 1.265 252 T N 0.630 114.972 114.554 -0.355 0.000 2.780 252 T HA 0.307 4.657 4.350 -0.000 0.000 0.294 252 T C -0.405 174.042 174.700 -0.421 0.000 0.949 252 T CA 0.358 62.231 62.100 -0.378 0.000 1.074 252 T CB -0.483 68.130 68.868 -0.425 0.000 0.910 252 T HN 0.156 nan 8.240 nan 0.000 0.501 253 Y N 2.296 122.457 120.300 -0.232 0.000 2.387 253 Y HA 0.241 4.791 4.550 -0.000 0.000 0.330 253 Y C 1.266 177.051 175.900 -0.191 0.000 1.133 253 Y CA -0.877 57.119 58.100 -0.174 0.000 1.152 253 Y CB 1.128 39.516 38.460 -0.121 0.000 1.215 253 Y HN 0.651 nan 8.280 nan 0.000 0.466 254 N N 2.030 120.776 118.700 0.076 0.000 2.681 254 N HA -0.301 4.439 4.740 -0.000 0.000 0.250 254 N C -0.772 174.711 175.510 -0.045 0.000 1.133 254 N CA 1.372 54.425 53.050 0.006 0.000 0.732 254 N CB -1.175 37.313 38.487 0.001 0.000 1.107 254 N HN 0.754 nan 8.380 nan 0.000 0.559 255 N N -0.662 117.953 118.700 -0.142 0.000 2.735 255 N HA -0.254 4.486 4.740 -0.000 0.000 0.248 255 N C -0.611 174.783 175.510 -0.193 0.000 1.083 255 N CA 1.288 54.225 53.050 -0.189 0.000 0.703 255 N CB -1.291 37.192 38.487 -0.007 0.000 1.005 255 N HN 0.658 nan 8.380 nan 0.000 0.550 256 H N -3.916 115.070 119.070 -0.141 0.000 3.415 256 H HA -0.180 4.376 4.556 -0.000 0.000 0.213 256 H C 0.388 175.669 175.328 -0.078 0.000 1.091 256 H CA 1.482 57.403 56.048 -0.213 0.000 1.182 256 H CB -1.473 27.994 29.762 -0.492 0.000 1.160 256 H HN 0.430 nan 8.280 nan 0.000 0.319 257 L N -0.236 121.027 121.223 0.067 0.000 2.332 257 L HA 0.505 4.845 4.340 -0.000 0.000 0.269 257 L C 0.256 177.203 176.870 0.129 0.000 1.016 257 L CA -0.995 53.940 54.840 0.158 0.000 0.809 257 L CB 0.883 43.037 42.059 0.159 0.000 1.280 257 L HN -0.154 nan 8.230 nan 0.000 0.447 258 Y N 0.635 121.064 120.300 0.214 0.000 2.330 258 Y HA 0.444 4.994 4.550 -0.000 0.000 0.336 258 Y C -0.264 175.770 175.900 0.222 0.000 1.036 258 Y CA -0.464 57.801 58.100 0.275 0.000 1.125 258 Y CB 1.510 40.210 38.460 0.400 0.000 1.194 258 Y HN 0.309 nan 8.280 nan 0.000 0.469 259 K N 2.430 123.024 120.400 0.323 0.000 2.427 259 K HA 0.246 4.566 4.320 -0.000 0.000 0.252 259 K C -1.070 175.607 176.600 0.128 0.000 0.931 259 K CA -1.070 55.330 56.287 0.189 0.000 0.793 259 K CB 2.367 34.911 32.500 0.074 0.000 1.211 259 K HN 0.593 nan 8.250 nan 0.000 0.426 260 Q N 4.654 124.457 119.800 0.005 0.000 2.297 260 Q HA 0.235 4.575 4.340 -0.000 0.000 0.267 260 Q C -0.683 175.066 176.000 -0.418 0.000 1.006 260 Q CA -0.227 55.318 55.803 -0.430 0.000 0.896 260 Q CB 0.387 28.919 28.738 -0.344 0.000 1.186 260 Q HN 0.612 nan 8.270 nan 0.000 0.392 261 I N 0.135 120.361 120.570 -0.575 0.000 2.569 261 I HA 0.768 4.938 4.170 -0.000 0.000 0.296 261 I C -0.817 175.062 176.117 -0.396 0.000 1.028 261 I CA -0.805 60.300 61.300 -0.325 0.000 1.082 261 I CB 2.303 40.214 38.000 -0.147 0.000 1.264 261 I HN 0.493 nan 8.210 nan 0.000 0.429 262 S N 3.845 119.374 115.700 -0.285 0.000 2.596 262 S HA 0.516 4.986 4.470 -0.000 0.000 0.270 262 S C -1.673 172.573 174.600 -0.590 0.000 1.155 262 S CA -0.747 57.213 58.200 -0.401 0.000 0.827 262 S CB 2.146 65.203 63.200 -0.238 0.000 1.130 262 S HN 0.950 nan 8.310 nan 0.000 0.467 263 N N 1.159 119.371 118.700 -0.814 0.000 2.542 263 N HA 0.433 5.173 4.740 -0.000 0.000 0.288 263 N C -0.240 175.036 175.510 -0.389 0.000 1.115 263 N CA -0.438 52.215 53.050 -0.661 0.000 0.924 263 N CB 1.347 39.240 38.487 -0.990 0.000 1.526 263 N HN 0.719 nan 8.380 nan 0.000 0.515 264 G N 0.048 108.722 108.800 -0.211 0.000 2.782 264 G HA2 0.176 4.136 3.960 -0.000 0.000 0.201 264 G HA3 0.176 4.136 3.960 -0.000 0.000 0.201 264 G C 0.198 175.046 174.900 -0.087 0.000 1.374 264 G CA -0.009 45.020 45.100 -0.119 0.000 1.039 264 G HN 0.365 nan 8.290 nan 0.000 0.576 265 T N 0.113 114.634 114.554 -0.054 0.000 3.145 265 T HA 0.360 4.710 4.350 -0.000 0.000 0.255 265 T C 1.050 175.729 174.700 -0.035 0.000 1.039 265 T CA -0.060 62.017 62.100 -0.038 0.000 0.928 265 T CB -0.551 68.305 68.868 -0.020 0.000 1.029 265 T HN 0.270 nan 8.240 nan 0.000 0.554 266 S N -0.096 115.579 115.700 -0.042 0.000 2.640 266 S HA 0.576 5.046 4.470 -0.000 0.000 0.262 266 S C 1.404 175.982 174.600 -0.036 0.000 1.232 266 S CA 0.024 58.203 58.200 -0.035 0.000 0.988 266 S CB 0.274 63.452 63.200 -0.036 0.000 1.034 266 S HN 0.777 nan 8.310 nan 0.000 0.569 267 G N 0.967 109.749 108.800 -0.030 0.000 2.651 267 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.315 267 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.315 267 G C 0.838 175.720 174.900 -0.029 0.000 1.258 267 G CA 0.414 45.496 45.100 -0.029 0.000 1.002 267 G HN 1.271 nan 8.290 nan 0.000 0.551 268 G N 0.299 109.078 108.800 -0.034 0.000 3.044 268 G HA2 0.603 4.563 3.960 -0.000 0.000 0.223 268 G HA3 0.603 4.563 3.960 -0.000 0.000 0.223 268 G C 0.821 175.693 174.900 -0.047 0.000 1.123 268 G CA 1.122 46.200 45.100 -0.037 0.000 0.765 268 G HN 1.863 nan 8.290 nan 0.000 0.546 269 A N 1.229 124.019 122.820 -0.051 0.000 2.537 269 A HA 0.447 4.767 4.320 -0.000 0.000 0.260 269 A C 0.917 178.468 177.584 -0.054 0.000 1.082 269 A CA 0.549 52.550 52.037 -0.059 0.000 0.765 269 A CB -0.270 18.689 19.000 -0.067 0.000 1.019 269 A HN 0.267 nan 8.150 nan 0.000 0.507 270 T N 1.503 116.018 114.554 -0.066 0.000 2.813 270 T HA 0.053 4.403 4.350 -0.000 0.000 0.297 270 T C 1.457 176.141 174.700 -0.027 0.000 1.036 270 T CA 0.347 62.416 62.100 -0.052 0.000 1.044 270 T CB 0.327 69.140 68.868 -0.091 0.000 0.993 270 T HN 0.773 nan 8.240 nan 0.000 0.535 271 N N 1.347 120.050 118.700 0.004 0.000 2.244 271 N HA -0.099 4.641 4.740 -0.000 0.000 0.183 271 N C 1.242 176.777 175.510 0.042 0.000 1.016 271 N CA 1.540 54.605 53.050 0.025 0.000 0.866 271 N CB -0.197 38.317 38.487 0.046 0.000 0.980 271 N HN 0.581 nan 8.380 nan 0.000 0.430 272 D N -0.332 120.097 120.400 0.050 0.000 2.309 272 D HA -0.087 4.553 4.640 -0.000 0.000 0.212 272 D C 0.349 176.677 176.300 0.046 0.000 0.968 272 D CA 0.743 54.787 54.000 0.073 0.000 0.882 272 D CB -0.163 40.700 40.800 0.106 0.000 0.918 272 D HN 0.410 nan 8.370 nan 0.000 0.503 273 N N 0.362 119.074 118.700 0.020 0.000 2.204 273 N HA -0.010 4.730 4.740 -0.000 0.000 0.219 273 N C 0.209 175.775 175.510 0.092 0.000 1.151 273 N CA 0.078 53.159 53.050 0.051 0.000 0.867 273 N CB 0.922 39.412 38.487 0.006 0.000 1.043 273 N HN 0.184 nan 8.380 nan 0.000 0.516 274 T N -0.210 114.377 114.554 0.054 0.000 2.856 274 T HA 0.333 4.683 4.350 -0.000 0.000 0.306 274 T C -0.128 174.649 174.700 0.129 0.000 1.062 274 T CA -0.086 62.016 62.100 0.003 0.000 1.083 274 T CB 0.668 69.537 68.868 0.001 0.000 0.984 274 T HN 0.285 nan 8.240 nan 0.000 0.542 275 Y N -0.987 119.340 120.300 0.045 0.000 2.687 275 Y HA 0.683 5.233 4.550 -0.000 0.000 0.338 275 Y C -2.237 173.723 175.900 0.100 0.000 1.189 275 Y CA -2.771 55.369 58.100 0.066 0.000 1.097 275 Y CB 0.733 39.206 38.460 0.023 0.000 1.342 275 Y HN 0.836 nan 8.280 nan 0.000 0.461 276 F N 1.405 121.511 119.950 0.259 0.000 2.574 276 F HA 0.879 5.406 4.527 -0.000 0.000 0.313 276 F C -0.178 175.663 175.800 0.069 0.000 1.130 276 F CA 0.119 58.177 58.000 0.096 0.000 0.936 276 F CB 2.004 41.009 39.000 0.009 0.000 1.219 276 F HN 1.121 nan 8.300 nan 0.000 0.445 277 G N 2.921 111.384 108.800 -0.561 0.000 2.500 277 G HA2 0.462 4.422 3.960 -0.000 0.000 0.299 277 G HA3 0.462 4.422 3.960 -0.000 0.000 0.299 277 G C -2.451 171.876 174.900 -0.955 0.000 1.242 277 G CA -0.613 44.217 45.100 -0.449 0.000 0.859 277 G HN 0.512 nan 8.290 nan 0.000 0.481 278 Y N -0.070 119.878 120.300 -0.587 0.000 2.534 278 Y HA 0.615 5.165 4.550 -0.000 0.000 0.345 278 Y C 0.304 175.948 175.900 -0.427 0.000 1.031 278 Y CA -0.771 57.076 58.100 -0.423 0.000 1.022 278 Y CB 2.568 40.922 38.460 -0.178 0.000 1.292 278 Y HN 0.694 nan 8.280 nan 0.000 0.459 279 S N 0.251 115.921 115.700 -0.049 0.000 2.525 279 S HA 0.788 5.258 4.470 -0.000 0.000 0.290 279 S C -0.255 174.357 174.600 0.020 0.000 1.152 279 S CA -0.571 57.580 58.200 -0.081 0.000 1.072 279 S CB 1.504 64.647 63.200 -0.095 0.000 1.027 279 S HN 0.724 nan 8.310 nan 0.000 0.500 280 T N -1.728 112.813 114.554 -0.022 0.000 2.942 280 T HA 0.633 4.983 4.350 -0.000 0.000 0.289 280 T C -2.739 171.900 174.700 -0.102 0.000 1.044 280 T CA -2.258 59.751 62.100 -0.152 0.000 1.023 280 T CB 1.380 70.319 68.868 0.118 0.000 1.123 280 T HN 0.293 nan 8.240 nan 0.000 0.512 281 P HA 0.197 nan 4.420 nan 0.000 0.245 281 P C -0.760 176.527 177.300 -0.021 0.000 1.212 281 P CA -0.017 63.027 63.100 -0.092 0.000 0.774 281 P CB -0.099 31.494 31.700 -0.179 0.000 0.999 282 W N 0.367 121.660 121.300 -0.013 0.000 2.448 282 W HA 0.596 5.256 4.660 0.000 0.000 0.339 282 W C 0.996 177.557 176.519 0.071 0.000 1.124 282 W CA -0.089 57.284 57.345 0.047 0.000 1.262 282 W CB 0.639 30.111 29.460 0.021 0.000 1.251 282 W HN -0.203 nan 8.180 nan 0.000 0.597 283 G N 0.403 109.375 108.800 0.288 0.000 2.667 283 G HA2 0.753 4.713 3.960 -0.000 0.000 0.310 283 G HA3 0.753 4.713 3.960 -0.000 0.000 0.310 283 G C -2.070 172.882 174.900 0.085 0.000 1.259 283 G CA -0.781 44.387 45.100 0.113 0.000 1.019 283 G HN 0.575 nan 8.290 nan 0.000 0.496 284 Y N -2.596 117.591 120.300 -0.188 0.000 2.581 284 Y HA 0.717 5.267 4.550 -0.000 0.000 0.337 284 Y C -1.748 173.981 175.900 -0.284 0.000 1.108 284 Y CA -2.166 55.798 58.100 -0.227 0.000 1.033 284 Y CB 0.997 39.347 38.460 -0.184 0.000 1.318 284 Y HN 0.394 nan 8.280 nan 0.000 0.459 285 F N 2.122 122.113 119.950 0.069 0.000 2.385 285 F HA 0.489 5.016 4.527 -0.000 0.000 0.336 285 F C -0.117 175.767 175.800 0.141 0.000 1.100 285 F CA 0.111 58.186 58.000 0.126 0.000 1.116 285 F CB 1.333 40.476 39.000 0.238 0.000 1.166 285 F HN 0.595 nan 8.300 nan 0.000 0.511 286 D N 2.827 123.410 120.400 0.304 0.000 2.936 286 D HA 0.313 4.953 4.640 -0.000 0.000 0.238 286 D C -0.844 175.552 176.300 0.160 0.000 1.248 286 D CA -0.502 53.561 54.000 0.105 0.000 0.903 286 D CB 1.092 41.986 40.800 0.157 0.000 1.544 286 D HN 0.285 nan 8.370 nan 0.000 0.543 287 F N 1.310 121.425 119.950 0.276 0.000 2.777 287 F HA 0.421 4.948 4.527 -0.000 0.000 0.361 287 F C 0.201 176.141 175.800 0.233 0.000 1.254 287 F CA -1.020 57.125 58.000 0.242 0.000 1.181 287 F CB -0.622 38.600 39.000 0.370 0.000 1.082 287 F HN 0.087 nan 8.300 nan 0.000 0.510 288 N N 2.882 121.503 118.700 -0.131 0.000 3.178 288 N HA 0.294 5.034 4.740 -0.000 0.000 0.300 288 N C -0.939 174.428 175.510 -0.239 0.000 1.242 288 N CA 0.304 53.028 53.050 -0.543 0.000 1.192 288 N CB -0.106 37.797 38.487 -0.974 0.000 1.463 288 N HN 0.492 nan 8.380 nan 0.000 0.539 289 R N 1.007 121.472 120.500 -0.058 0.000 2.678 289 R HA 0.108 4.448 4.340 -0.000 0.000 0.267 289 R C 0.201 176.518 176.300 0.027 0.000 1.173 289 R CA -0.508 55.539 56.100 -0.089 0.000 1.061 289 R CB 0.292 30.536 30.300 -0.093 0.000 1.262 289 R HN 0.137 nan 8.270 nan 0.000 0.427 290 F N 1.470 121.477 119.950 0.095 0.000 2.154 290 F HA -0.258 4.269 4.527 -0.000 0.000 0.301 290 F C 2.397 178.330 175.800 0.221 0.000 1.087 290 F CA 1.941 60.083 58.000 0.236 0.000 1.274 290 F CB -0.014 38.918 39.000 -0.113 0.000 1.009 290 F HN 0.688 nan 8.300 nan 0.000 0.485 291 H N -2.654 116.501 119.070 0.141 0.000 2.567 291 H HA -0.017 4.539 4.556 -0.000 0.000 0.276 291 H C 1.665 177.016 175.328 0.039 0.000 1.016 291 H CA 0.152 56.245 56.048 0.076 0.000 1.186 291 H CB -1.759 28.013 29.762 0.017 0.000 1.351 291 H HN 0.273 nan 8.280 nan 0.000 0.605 292 C N 0.540 119.991 119.300 0.251 0.000 2.481 292 C HA 0.030 4.490 4.460 -0.000 0.000 0.275 292 C C 1.738 176.495 174.990 -0.387 0.000 1.419 292 C CA 0.631 59.562 59.018 -0.145 0.000 1.773 292 C CB -0.604 26.938 27.740 -0.330 0.000 1.862 292 C HN 0.769 nan 8.230 nan 0.000 0.530 293 H N -2.740 116.488 119.070 0.264 0.000 2.735 293 H HA 0.255 4.811 4.556 -0.000 0.000 0.250 293 H C -0.028 175.267 175.328 -0.056 0.000 0.948 293 H CA 0.247 56.353 56.048 0.096 0.000 1.137 293 H CB 0.037 29.896 29.762 0.163 0.000 1.440 293 H HN 0.324 nan 8.280 nan 0.000 0.444 294 F N 2.782 122.905 119.950 0.288 0.000 2.420 294 F HA 0.285 4.812 4.527 -0.000 0.000 0.342 294 F C 1.021 176.921 175.800 0.166 0.000 1.113 294 F CA -0.938 57.196 58.000 0.223 0.000 1.059 294 F CB 1.383 40.567 39.000 0.306 0.000 1.128 294 F HN -0.063 nan 8.300 nan 0.000 0.475 295 S N 2.816 118.711 115.700 0.325 0.000 2.624 295 S HA 0.336 4.806 4.470 -0.000 0.000 0.263 295 S C -2.054 172.660 174.600 0.191 0.000 1.287 295 S CA -1.063 57.268 58.200 0.217 0.000 0.990 295 S CB 1.374 64.683 63.200 0.183 0.000 0.950 295 S HN 0.362 nan 8.310 nan 0.000 0.561 296 P HA -0.102 nan 4.420 nan 0.000 0.215 296 P C 1.709 178.979 177.300 -0.050 0.000 1.157 296 P CA 1.069 64.074 63.100 -0.159 0.000 0.868 296 P CB -0.000 31.455 31.700 -0.409 0.000 0.788 297 R N 0.339 120.857 120.500 0.030 0.000 2.081 297 R HA -0.129 4.211 4.340 -0.000 0.000 0.235 297 R C 1.818 178.165 176.300 0.079 0.000 1.131 297 R CA 1.854 57.979 56.100 0.040 0.000 0.960 297 R CB -1.647 28.689 30.300 0.060 0.000 0.856 297 R HN 0.113 nan 8.270 nan 0.000 0.436 298 D N -0.716 119.812 120.400 0.212 0.000 2.144 298 D HA -0.220 4.420 4.640 -0.000 0.000 0.199 298 D C 1.592 178.092 176.300 0.332 0.000 0.984 298 D CA 1.083 55.319 54.000 0.393 0.000 0.834 298 D CB -0.394 40.757 40.800 0.586 0.000 0.955 298 D HN 0.399 nan 8.370 nan 0.000 0.465 299 W N 2.047 123.346 121.300 -0.002 0.000 2.363 299 W HA -0.186 4.474 4.660 -0.000 0.000 0.296 299 W C 2.176 178.521 176.519 -0.290 0.000 1.212 299 W CA 1.078 58.256 57.345 -0.278 0.000 1.260 299 W CB -0.002 29.266 29.460 -0.321 0.000 1.131 299 W HN 0.058 nan 8.180 nan 0.000 0.530 300 Q N 0.536 120.259 119.800 -0.129 0.000 2.079 300 Q HA -0.206 4.134 4.340 -0.000 0.000 0.200 300 Q C 2.345 178.189 176.000 -0.261 0.000 0.974 300 Q CA 1.460 57.131 55.803 -0.221 0.000 0.840 300 Q CB -0.280 28.402 28.738 -0.094 0.000 0.898 300 Q HN 0.235 nan 8.270 nan 0.000 0.430 301 R N 0.005 120.359 120.500 -0.244 0.000 2.096 301 R HA -0.160 4.180 4.340 -0.000 0.000 0.235 301 R C 2.406 178.471 176.300 -0.391 0.000 1.127 301 R CA 1.226 57.085 56.100 -0.402 0.000 0.968 301 R CB -0.343 29.547 30.300 -0.682 0.000 0.861 301 R HN 0.275 nan 8.270 nan 0.000 0.440 302 L N 1.538 122.598 121.223 -0.272 0.000 1.988 302 L HA -0.112 4.228 4.340 -0.000 0.000 0.207 302 L C 2.176 178.820 176.870 -0.377 0.000 1.071 302 L CA 1.618 56.295 54.840 -0.271 0.000 0.744 302 L CB -0.463 41.224 42.059 -0.621 0.000 0.893 302 L HN 0.198 nan 8.230 nan 0.000 0.433 303 I N -2.796 117.440 120.570 -0.557 0.000 2.614 303 I HA -0.113 4.057 4.170 -0.000 0.000 0.258 303 I C 1.401 177.425 176.117 -0.156 0.000 1.189 303 I CA 1.364 62.444 61.300 -0.365 0.000 1.462 303 I CB -0.655 37.073 38.000 -0.453 0.000 1.092 303 I HN 0.269 nan 8.210 nan 0.000 0.442 304 N N 1.540 120.113 118.700 -0.211 0.000 2.412 304 N HA 0.005 4.745 4.740 -0.000 0.000 0.184 304 N C 0.739 176.181 175.510 -0.113 0.000 1.101 304 N CA 0.545 53.510 53.050 -0.141 0.000 0.881 304 N CB -0.074 38.306 38.487 -0.178 0.000 0.969 304 N HN 0.577 nan 8.380 nan 0.000 0.459 305 N N -0.410 118.210 118.700 -0.134 0.000 2.118 305 N HA 0.102 4.842 4.740 -0.000 0.000 0.226 305 N C -0.788 174.643 175.510 -0.131 0.000 1.305 305 N CA -0.084 52.880 53.050 -0.143 0.000 0.890 305 N CB 0.943 39.324 38.487 -0.177 0.000 1.118 305 N HN 0.083 nan 8.380 nan 0.000 0.511 306 N N -0.172 118.495 118.700 -0.055 0.000 2.258 306 N HA 0.153 4.893 4.740 -0.000 0.000 0.299 306 N C 0.014 175.625 175.510 0.167 0.000 1.047 306 N CA -0.445 52.606 53.050 0.002 0.000 0.814 306 N CB 1.618 40.148 38.487 0.072 0.000 1.413 306 N HN 0.018 nan 8.380 nan 0.000 0.478 307 W N 1.359 122.652 121.300 -0.011 0.000 2.699 307 W HA 0.177 4.837 4.660 -0.000 0.000 0.249 307 W C 1.071 177.639 176.519 0.082 0.000 1.280 307 W CA 0.145 57.506 57.345 0.026 0.000 1.345 307 W CB -0.156 29.241 29.460 -0.107 0.000 1.128 307 W HN 0.617 nan 8.180 nan 0.000 0.642 308 G N -1.087 107.859 108.800 0.243 0.000 2.506 308 G HA2 0.486 4.446 3.960 -0.000 0.000 0.292 308 G HA3 0.486 4.446 3.960 -0.000 0.000 0.292 308 G C -1.889 173.206 174.900 0.325 0.000 1.425 308 G CA -0.676 44.536 45.100 0.187 0.000 0.788 308 G HN 0.044 nan 8.290 nan 0.000 0.490 309 F N -1.489 118.743 119.950 0.471 0.000 2.807 309 F HA 0.917 5.444 4.527 -0.000 0.000 0.316 309 F C -0.901 175.376 175.800 0.795 0.000 1.162 309 F CA -1.340 57.022 58.000 0.603 0.000 0.910 309 F CB 1.446 40.642 39.000 0.326 0.000 1.314 309 F HN 0.942 nan 8.300 nan 0.000 0.454 310 R N 0.227 121.196 120.500 0.782 0.000 2.687 310 R HA 0.559 4.899 4.340 -0.000 0.000 0.265 310 R C -3.604 172.769 176.300 0.121 0.000 1.048 310 R CA -1.878 54.389 56.100 0.280 0.000 0.884 310 R CB 1.966 32.221 30.300 -0.074 0.000 1.258 310 R HN 0.454 nan 8.270 nan 0.000 0.469 311 P HA 0.139 nan 4.420 nan 0.000 0.275 311 P C -0.818 176.006 177.300 -0.793 0.000 1.227 311 P CA -0.385 62.055 63.100 -1.100 0.000 0.781 311 P CB 1.403 31.837 31.700 -2.111 0.000 0.906 312 K N 2.427 122.527 120.400 -0.500 0.000 2.353 312 K HA 0.154 4.474 4.320 -0.000 0.000 0.206 312 K C 1.144 177.799 176.600 0.092 0.000 1.191 312 K CA 0.854 57.055 56.287 -0.143 0.000 0.897 312 K CB 0.493 32.927 32.500 -0.110 0.000 1.283 312 K HN 0.639 nan 8.250 nan 0.000 0.477 313 R N 0.208 120.748 120.500 0.066 0.000 2.716 313 R HA 0.542 4.882 4.340 -0.000 0.000 0.271 313 R C -1.492 174.826 176.300 0.029 0.000 1.028 313 R CA -0.910 55.232 56.100 0.070 0.000 0.883 313 R CB 0.916 31.173 30.300 -0.072 0.000 1.250 313 R HN -0.019 nan 8.270 nan 0.000 0.465 314 L N -1.980 119.243 121.223 0.001 0.000 2.469 314 L HA 0.801 5.141 4.340 -0.000 0.000 0.256 314 L C -1.323 175.435 176.870 -0.188 0.000 1.006 314 L CA -0.584 54.201 54.840 -0.091 0.000 0.832 314 L CB 2.486 44.519 42.059 -0.043 0.000 1.421 314 L HN 0.713 nan 8.230 nan 0.000 0.410 315 S N 1.076 116.625 115.700 -0.252 0.000 2.521 315 S HA 0.806 5.276 4.470 -0.000 0.000 0.295 315 S C -1.279 173.121 174.600 -0.335 0.000 1.098 315 S CA -0.302 57.709 58.200 -0.316 0.000 0.999 315 S CB 1.458 64.503 63.200 -0.259 0.000 1.034 315 S HN 0.679 nan 8.310 nan 0.000 0.483 316 F N 2.254 121.822 119.950 -0.636 0.000 2.551 316 F HA 0.741 5.268 4.527 -0.000 0.000 0.316 316 F C -0.601 175.040 175.800 -0.264 0.000 1.089 316 F CA -0.495 57.219 58.000 -0.477 0.000 0.915 316 F CB 1.340 39.970 39.000 -0.616 0.000 1.186 316 F HN 0.527 nan 8.300 nan 0.000 0.456 317 K N 6.348 126.229 120.400 -0.864 0.000 2.523 317 K HA 0.586 4.906 4.320 -0.000 0.000 0.257 317 K C -2.302 174.129 176.600 -0.282 0.000 0.932 317 K CA -0.681 55.381 56.287 -0.374 0.000 0.812 317 K CB 1.941 34.328 32.500 -0.189 0.000 1.326 317 K HN 0.808 nan 8.250 nan 0.000 0.433 318 L N 5.796 127.121 121.223 0.170 0.000 2.356 318 L HA 0.661 5.001 4.340 -0.000 0.000 0.277 318 L C -0.914 176.239 176.870 0.472 0.000 0.996 318 L CA -0.785 54.209 54.840 0.256 0.000 0.822 318 L CB 0.979 43.240 42.059 0.337 0.000 1.256 318 L HN 0.708 nan 8.230 nan 0.000 0.413 319 F N 0.593 120.638 119.950 0.158 0.000 2.831 319 F HA 0.504 5.031 4.527 -0.000 0.000 0.318 319 F C 0.010 175.864 175.800 0.091 0.000 1.174 319 F CA -1.288 56.781 58.000 0.116 0.000 0.918 319 F CB 0.796 39.826 39.000 0.050 0.000 1.364 319 F HN 0.319 nan 8.300 nan 0.000 0.475 320 N N 0.883 119.703 118.700 0.200 0.000 2.714 320 N HA -0.200 4.540 4.740 -0.000 0.000 0.252 320 N C -0.842 174.627 175.510 -0.068 0.000 1.014 320 N CA 0.828 53.908 53.050 0.049 0.000 0.735 320 N CB -1.056 37.438 38.487 0.013 0.000 0.924 320 N HN 0.650 nan 8.380 nan 0.000 0.540 321 I N 0.940 121.519 120.570 0.015 0.000 2.529 321 I HA 0.002 4.172 4.170 -0.000 0.000 0.284 321 I C 0.723 176.815 176.117 -0.041 0.000 1.082 321 I CA 0.109 61.410 61.300 0.002 0.000 1.406 321 I CB 0.638 38.727 38.000 0.149 0.000 1.405 321 I HN 0.088 nan 8.210 nan 0.000 0.548 322 Q N 5.925 125.657 119.800 -0.114 0.000 2.285 322 Q HA 0.569 4.909 4.340 -0.000 0.000 0.269 322 Q C -1.545 174.360 176.000 -0.159 0.000 1.030 322 Q CA -0.907 54.824 55.803 -0.120 0.000 0.788 322 Q CB 2.432 31.086 28.738 -0.141 0.000 1.266 322 Q HN 0.305 nan 8.270 nan 0.000 0.438 323 V N 2.652 122.485 119.914 -0.135 0.000 2.370 323 V HA 0.403 4.522 4.120 -0.000 0.000 0.279 323 V C -0.278 175.662 176.094 -0.256 0.000 1.029 323 V CA -0.496 61.695 62.300 -0.182 0.000 0.870 323 V CB 1.245 33.014 31.823 -0.090 0.000 0.984 323 V HN 0.639 nan 8.190 nan 0.000 0.451 324 K N 3.710 123.826 120.400 -0.473 0.000 2.259 324 K HA 0.644 4.964 4.320 -0.000 0.000 0.252 324 K C -0.659 175.740 176.600 -0.334 0.000 0.936 324 K CA -0.766 55.248 56.287 -0.454 0.000 0.810 324 K CB 2.443 34.552 32.500 -0.653 0.000 1.143 324 K HN 0.884 nan 8.250 nan 0.000 0.427 325 E N 0.159 120.280 120.200 -0.133 0.000 2.199 325 E HA 0.398 4.748 4.350 -0.000 0.000 0.269 325 E C -1.176 175.444 176.600 0.034 0.000 0.899 325 E CA -1.045 55.340 56.400 -0.025 0.000 0.772 325 E CB 1.990 31.685 29.700 -0.009 0.000 1.155 325 E HN 0.208 nan 8.360 nan 0.000 0.408 326 V N 2.547 122.511 119.914 0.084 0.000 2.417 326 V HA 0.542 4.662 4.120 -0.000 0.000 0.291 326 V C -0.937 175.190 176.094 0.055 0.000 1.024 326 V CA -0.137 62.214 62.300 0.084 0.000 0.861 326 V CB 1.599 33.493 31.823 0.118 0.000 0.985 326 V HN 0.868 nan 8.190 nan 0.000 0.436 327 T N 6.117 120.694 114.554 0.039 0.000 2.767 327 T HA 0.416 4.766 4.350 -0.000 0.000 0.288 327 T C -0.498 174.216 174.700 0.023 0.000 0.963 327 T CA -0.055 62.062 62.100 0.028 0.000 1.019 327 T CB 1.247 70.127 68.868 0.020 0.000 0.923 327 T HN 0.776 nan 8.240 nan 0.000 0.468 328 Q N 3.496 123.309 119.800 0.021 0.000 2.508 328 Q HA 0.376 4.716 4.340 -0.000 0.000 0.247 328 Q C -1.065 174.941 176.000 0.011 0.000 1.047 328 Q CA -0.313 55.499 55.803 0.015 0.000 0.783 328 Q CB 0.167 28.914 28.738 0.015 0.000 1.172 328 Q HN 0.434 nan 8.270 nan 0.000 0.515 329 N N 2.333 121.038 118.700 0.009 0.000 2.352 329 N HA 0.215 4.955 4.740 -0.000 0.000 0.291 329 N C -1.140 174.372 175.510 0.004 0.000 1.040 329 N CA -0.400 52.654 53.050 0.006 0.000 0.864 329 N CB 1.676 40.166 38.487 0.006 0.000 1.440 329 N HN 0.403 nan 8.380 nan 0.000 0.483 330 E N 0.851 121.053 120.200 0.003 0.000 2.230 330 E HA -0.198 4.152 4.350 -0.000 0.000 0.206 330 E C 1.043 177.644 176.600 0.001 0.000 1.309 330 E CA 1.132 57.533 56.400 0.002 0.000 0.697 330 E CB -1.694 28.007 29.700 0.001 0.000 1.146 330 E HN 1.011 nan 8.360 nan 0.000 0.363 331 G N -0.816 107.985 108.800 0.001 0.000 2.353 331 G HA2 -0.412 3.548 3.960 -0.000 0.000 0.258 331 G HA3 -0.412 3.548 3.960 -0.000 0.000 0.258 331 G C 0.644 175.544 174.900 -0.000 0.000 1.013 331 G CA 0.656 45.756 45.100 -0.000 0.000 0.622 331 G HN 0.554 nan 8.290 nan 0.000 0.535 332 T N 1.753 116.307 114.554 0.001 0.000 2.779 332 T HA 0.459 4.809 4.350 -0.000 0.000 0.296 332 T C 0.170 174.872 174.700 0.004 0.000 0.938 332 T CA 0.544 62.645 62.100 0.002 0.000 1.119 332 T CB 1.390 70.260 68.868 0.003 0.000 0.891 332 T HN 0.507 nan 8.240 nan 0.000 0.526 333 K N 3.189 123.592 120.400 0.005 0.000 2.323 333 K HA 0.499 4.819 4.320 -0.000 0.000 0.259 333 K C -0.564 176.043 176.600 0.012 0.000 0.947 333 K CA -0.646 55.647 56.287 0.008 0.000 0.819 333 K CB 0.949 33.452 32.500 0.004 0.000 1.109 333 K HN 0.702 nan 8.250 nan 0.000 0.429 334 T N 1.666 116.231 114.554 0.018 0.000 2.876 334 T HA 0.560 4.910 4.350 -0.000 0.000 0.289 334 T C -0.155 174.564 174.700 0.033 0.000 1.014 334 T CA -0.845 61.267 62.100 0.020 0.000 0.986 334 T CB 0.949 69.825 68.868 0.014 0.000 1.021 334 T HN 0.443 nan 8.240 nan 0.000 0.458 335 I N 1.945 122.537 120.570 0.038 0.000 2.433 335 I HA 0.744 4.914 4.170 -0.000 0.000 0.292 335 I C 0.078 176.208 176.117 0.021 0.000 1.001 335 I CA -1.001 60.332 61.300 0.054 0.000 1.119 335 I CB 1.745 39.806 38.000 0.103 0.000 1.289 335 I HN 1.035 nan 8.210 nan 0.000 0.438 336 A N 5.187 128.007 122.820 -0.000 0.000 2.566 336 A HA 0.624 4.944 4.320 -0.000 0.000 0.292 336 A C -1.051 176.502 177.584 -0.052 0.000 1.112 336 A CA -0.834 51.190 52.037 -0.020 0.000 0.707 336 A CB 1.403 20.396 19.000 -0.011 0.000 1.302 336 A HN 0.631 nan 8.150 nan 0.000 0.409 337 N N 1.355 120.023 118.700 -0.053 0.000 2.482 337 N HA 0.159 4.899 4.740 -0.000 0.000 0.260 337 N C -0.777 174.700 175.510 -0.054 0.000 1.236 337 N CA 0.145 53.153 53.050 -0.070 0.000 0.938 337 N CB 0.711 39.164 38.487 -0.055 0.000 1.128 337 N HN 0.622 nan 8.380 nan 0.000 0.448 338 N N 2.164 120.826 118.700 -0.062 0.000 2.813 338 N HA 0.182 4.922 4.740 -0.000 0.000 0.282 338 N C 0.911 176.403 175.510 -0.030 0.000 1.748 338 N CA -0.212 52.815 53.050 -0.039 0.000 0.860 338 N CB -0.199 38.264 38.487 -0.040 0.000 1.204 338 N HN 0.459 nan 8.380 nan 0.000 0.490 339 L N -0.260 120.949 121.223 -0.023 0.000 2.211 339 L HA -0.236 4.104 4.340 -0.000 0.000 0.216 339 L C 1.695 178.563 176.870 -0.003 0.000 1.092 339 L CA 1.886 56.718 54.840 -0.013 0.000 0.767 339 L CB -0.665 41.389 42.059 -0.008 0.000 0.894 339 L HN 0.499 nan 8.230 nan 0.000 0.437 340 T N -5.850 108.704 114.554 -0.000 0.000 3.069 340 T HA 0.160 4.510 4.350 -0.000 0.000 0.252 340 T C 0.793 175.500 174.700 0.011 0.000 1.053 340 T CA -0.291 61.815 62.100 0.009 0.000 0.964 340 T CB 0.245 69.119 68.868 0.011 0.000 1.005 340 T HN 0.032 nan 8.240 nan 0.000 0.532 341 S N 2.498 118.200 115.700 0.003 0.000 2.617 341 S HA 0.576 5.046 4.470 -0.000 0.000 0.269 341 S C 0.472 175.081 174.600 0.015 0.000 1.292 341 S CA -0.556 57.647 58.200 0.005 0.000 1.010 341 S CB 1.103 64.298 63.200 -0.009 0.000 0.944 341 S HN 0.777 nan 8.310 nan 0.000 0.536 342 T N -0.758 113.807 114.554 0.018 0.000 2.916 342 T HA 0.750 5.100 4.350 -0.000 0.000 0.292 342 T C -0.293 174.422 174.700 0.025 0.000 1.055 342 T CA -0.957 61.162 62.100 0.033 0.000 1.009 342 T CB 0.772 69.665 68.868 0.040 0.000 1.118 342 T HN 0.606 nan 8.240 nan 0.000 0.497 343 I N -0.893 119.706 120.570 0.049 0.000 2.750 343 I HA 0.699 4.869 4.170 -0.000 0.000 0.308 343 I C -0.820 175.317 176.117 0.033 0.000 1.016 343 I CA -1.259 60.062 61.300 0.035 0.000 1.098 343 I CB 1.888 39.948 38.000 0.100 0.000 1.279 343 I HN 0.627 nan 8.210 nan 0.000 0.454 344 Q N 2.926 122.723 119.800 -0.005 0.000 2.353 344 Q HA 0.755 5.095 4.340 -0.000 0.000 0.268 344 Q C -1.439 174.662 176.000 0.168 0.000 1.045 344 Q CA -0.922 54.933 55.803 0.088 0.000 0.811 344 Q CB 3.160 31.959 28.738 0.100 0.000 1.305 344 Q HN 0.602 nan 8.270 nan 0.000 0.447 345 V N 2.801 122.797 119.914 0.136 0.000 2.925 345 V HA 0.734 4.854 4.120 -0.000 0.000 0.311 345 V C -1.033 175.053 176.094 -0.014 0.000 1.104 345 V CA -0.886 61.382 62.300 -0.053 0.000 0.954 345 V CB 1.634 33.139 31.823 -0.529 0.000 1.022 345 V HN 0.785 nan 8.190 nan 0.000 0.427 346 F N 0.586 120.375 119.950 -0.269 0.000 2.719 346 F HA 0.790 5.317 4.527 -0.000 0.000 0.309 346 F C -0.606 175.017 175.800 -0.295 0.000 1.138 346 F CA -0.618 57.244 58.000 -0.230 0.000 0.943 346 F CB 1.530 40.440 39.000 -0.151 0.000 1.304 346 F HN 0.529 nan 8.300 nan 0.000 0.445 347 T N -0.875 113.600 114.554 -0.133 0.000 2.859 347 T HA 0.345 4.695 4.350 -0.000 0.000 0.281 347 T C -0.700 173.874 174.700 -0.209 0.000 1.005 347 T CA -0.538 61.325 62.100 -0.395 0.000 1.025 347 T CB 1.491 70.016 68.868 -0.571 0.000 0.977 347 T HN 0.755 nan 8.240 nan 0.000 0.458 348 D N 2.052 122.229 120.400 -0.373 0.000 2.801 348 D HA 0.151 4.791 4.640 -0.000 0.000 0.232 348 D C 1.349 177.415 176.300 -0.389 0.000 1.128 348 D CA -0.371 53.477 54.000 -0.254 0.000 1.003 348 D CB -0.436 40.161 40.800 -0.338 0.000 1.110 348 D HN 0.583 nan 8.370 nan 0.000 0.477 349 S N 0.361 115.862 115.700 -0.332 0.000 2.469 349 S HA -0.136 4.334 4.470 -0.000 0.000 0.238 349 S C 1.306 175.605 174.600 -0.502 0.000 0.998 349 S CA 0.583 58.523 58.200 -0.433 0.000 0.957 349 S CB 0.012 63.067 63.200 -0.242 0.000 0.764 349 S HN 0.475 nan 8.310 nan 0.000 0.514 350 E N -0.136 119.870 120.200 -0.324 0.000 2.501 350 E HA 0.224 4.574 4.350 -0.000 0.000 0.200 350 E C -1.051 175.541 176.600 -0.014 0.000 1.016 350 E CA -0.588 55.723 56.400 -0.148 0.000 0.921 350 E CB 0.011 29.682 29.700 -0.049 0.000 1.034 350 E HN 0.544 nan 8.360 nan 0.000 0.468 351 Y N 0.301 120.616 120.300 0.026 0.000 2.988 351 Y HA -0.321 4.229 4.550 -0.000 0.000 0.193 351 Y C 0.938 176.841 175.900 0.006 0.000 1.388 351 Y CA 0.349 58.459 58.100 0.016 0.000 0.904 351 Y CB -2.147 36.316 38.460 0.005 0.000 1.297 351 Y HN 0.272 nan 8.280 nan 0.000 0.432 352 Q N -0.142 119.719 119.800 0.101 0.000 2.352 352 Q HA 0.287 4.627 4.340 -0.000 0.000 0.212 352 Q C 0.432 176.391 176.000 -0.069 0.000 0.888 352 Q CA 0.100 55.959 55.803 0.094 0.000 0.934 352 Q CB 0.712 29.561 28.738 0.186 0.000 1.093 352 Q HN 0.560 nan 8.270 nan 0.000 0.523 353 L N 1.289 122.411 121.223 -0.169 0.000 2.352 353 L HA 0.423 4.763 4.340 -0.000 0.000 0.269 353 L C -2.249 174.434 176.870 -0.311 0.000 1.034 353 L CA -2.405 52.157 54.840 -0.464 0.000 0.806 353 L CB 0.877 42.647 42.059 -0.482 0.000 1.244 353 L HN -0.221 nan 8.230 nan 0.000 0.447 354 P HA -0.063 nan 4.420 nan 0.000 0.267 354 P C -1.173 176.165 177.300 0.064 0.000 1.209 354 P CA 0.091 63.134 63.100 -0.094 0.000 0.763 354 P CB 0.048 31.704 31.700 -0.074 0.000 0.816 355 Y N 4.200 124.498 120.300 -0.003 0.000 2.624 355 Y HA 0.062 4.612 4.550 -0.000 0.000 0.354 355 Y C 1.248 177.167 175.900 0.031 0.000 1.051 355 Y CA 0.346 58.459 58.100 0.022 0.000 1.377 355 Y CB 0.072 38.567 38.460 0.057 0.000 1.168 355 Y HN 0.140 nan 8.280 nan 0.000 0.525 356 V N 6.334 126.119 119.914 -0.216 0.000 3.129 356 V HA -0.101 4.019 4.120 -0.000 0.000 0.259 356 V C 1.035 176.993 176.094 -0.226 0.000 1.116 356 V CA 0.575 62.767 62.300 -0.180 0.000 1.127 356 V CB -0.475 31.205 31.823 -0.239 0.000 0.742 356 V HN 0.575 nan 8.190 nan 0.000 0.474 357 L N -0.102 120.800 121.223 -0.535 0.000 2.474 357 L HA 0.411 4.751 4.340 -0.000 0.000 0.259 357 L C 1.485 178.306 176.870 -0.082 0.000 1.232 357 L CA 0.935 55.568 54.840 -0.344 0.000 0.821 357 L CB -0.303 41.469 42.059 -0.478 0.000 1.108 357 L HN 0.364 nan 8.230 nan 0.000 0.495 358 G N 0.458 109.208 108.800 -0.084 0.000 2.198 358 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.257 358 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.257 358 G C 0.417 175.302 174.900 -0.027 0.000 1.042 358 G CA 0.358 45.443 45.100 -0.025 0.000 0.791 358 G HN 0.527 nan 8.290 nan 0.000 0.502 359 S N -0.565 115.067 115.700 -0.113 0.000 2.952 359 S HA 0.581 5.051 4.470 -0.000 0.000 0.251 359 S C 1.316 175.653 174.600 -0.437 0.000 1.021 359 S CA 0.982 59.036 58.200 -0.243 0.000 1.067 359 S CB 0.535 63.577 63.200 -0.264 0.000 1.002 359 S HN 2.190 nan 8.310 nan 0.000 0.574 360 A N 1.910 124.584 122.820 -0.244 0.000 2.783 360 A HA -0.205 4.115 4.320 -0.000 0.000 0.292 360 A C 0.136 177.617 177.584 -0.171 0.000 1.495 360 A CA 0.907 52.841 52.037 -0.171 0.000 0.787 360 A CB -2.046 16.874 19.000 -0.132 0.000 1.017 360 A HN 0.655 nan 8.150 nan 0.000 0.516 361 H N 0.253 119.330 119.070 0.012 0.000 2.547 361 H HA 0.341 4.897 4.556 -0.000 0.000 0.362 361 H C 1.114 176.471 175.328 0.047 0.000 1.181 361 H CA 0.387 56.455 56.048 0.033 0.000 1.376 361 H CB 0.482 30.278 29.762 0.058 0.000 1.488 361 H HN 0.748 nan 8.280 nan 0.000 0.583 362 Q N -0.490 119.428 119.800 0.196 0.000 2.414 362 Q HA 0.342 4.682 4.340 -0.000 0.000 0.206 362 Q C 0.776 176.839 176.000 0.104 0.000 1.058 362 Q CA 0.035 55.916 55.803 0.129 0.000 1.025 362 Q CB 0.629 29.430 28.738 0.105 0.000 1.196 362 Q HN 0.975 nan 8.270 nan 0.000 0.586 363 G N -1.123 107.727 108.800 0.084 0.000 2.179 363 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.220 363 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.220 363 G C 0.125 175.051 174.900 0.043 0.000 0.990 363 G CA -0.242 44.894 45.100 0.060 0.000 0.646 363 G HN 0.587 nan 8.290 nan 0.000 0.517 364 C N 1.445 120.762 119.300 0.028 0.000 2.563 364 C HA 0.600 5.060 4.460 -0.000 0.000 0.358 364 C C 1.607 176.441 174.990 -0.259 0.000 1.336 364 C CA -0.802 58.207 59.018 -0.014 0.000 2.454 364 C CB 0.043 27.821 27.740 0.064 0.000 2.448 364 C HN 0.498 nan 8.230 nan 0.000 0.670 365 L N 2.602 123.630 121.223 -0.325 0.000 2.525 365 L HA 0.159 4.499 4.340 -0.000 0.000 0.278 365 L C -2.032 174.621 176.870 -0.362 0.000 1.218 365 L CA -0.898 53.541 54.840 -0.668 0.000 0.878 365 L CB -0.382 41.510 42.059 -0.279 0.000 1.127 365 L HN 0.392 nan 8.230 nan 0.000 0.492 366 P HA 0.091 nan 4.420 nan 0.000 0.269 366 P C -2.072 175.099 177.300 -0.216 0.000 1.209 366 P CA -1.034 61.961 63.100 -0.174 0.000 0.776 366 P CB 0.210 31.892 31.700 -0.029 0.000 0.876 367 P HA -0.077 nan 4.420 nan 0.000 0.217 367 P C 0.104 177.273 177.300 -0.218 0.000 1.150 367 P CA 1.055 63.926 63.100 -0.382 0.000 0.832 367 P CB 0.010 31.468 31.700 -0.403 0.000 0.787 368 F N 0.402 120.079 119.950 -0.456 0.000 2.424 368 F HA 0.284 4.811 4.527 -0.000 0.000 0.356 368 F C -1.710 173.989 175.800 -0.169 0.000 1.110 368 F CA -3.195 54.500 58.000 -0.508 0.000 1.161 368 F CB 0.787 39.407 39.000 -0.635 0.000 1.115 368 F HN -0.095 nan 8.300 nan 0.000 0.507 369 P HA -0.180 nan 4.420 nan 0.000 0.218 369 P C 0.930 178.102 177.300 -0.213 0.000 1.146 369 P CA 1.934 64.886 63.100 -0.247 0.000 0.813 369 P CB 0.144 31.745 31.700 -0.164 0.000 0.778 370 A N -1.342 121.091 122.820 -0.645 0.000 2.169 370 A HA -0.023 4.297 4.320 -0.000 0.000 0.212 370 A C 0.654 178.244 177.584 0.010 0.000 1.153 370 A CA 0.532 52.394 52.037 -0.291 0.000 0.756 370 A CB -0.733 18.076 19.000 -0.319 0.000 0.813 370 A HN 0.075 nan 8.150 nan 0.000 0.471 371 D N 0.334 120.794 120.400 0.100 0.000 2.348 371 D HA 0.354 4.994 4.640 -0.000 0.000 0.253 371 D C -0.322 176.118 176.300 0.233 0.000 1.161 371 D CA 0.223 54.343 54.000 0.200 0.000 0.876 371 D CB 1.491 42.431 40.800 0.233 0.000 1.160 371 D HN -0.025 nan 8.370 nan 0.000 0.459 372 V N 3.940 123.979 119.914 0.208 0.000 2.498 372 V HA 0.350 4.470 4.120 -0.000 0.000 0.279 372 V C 0.128 176.390 176.094 0.280 0.000 1.048 372 V CA -0.536 61.895 62.300 0.219 0.000 0.967 372 V CB 0.089 31.970 31.823 0.097 0.000 0.988 372 V HN 0.371 nan 8.190 nan 0.000 0.473 373 F N 3.118 123.147 119.950 0.131 0.000 2.575 373 F HA 0.804 5.331 4.527 -0.000 0.000 0.330 373 F C -0.322 175.555 175.800 0.128 0.000 1.056 373 F CA -1.401 56.671 58.000 0.120 0.000 0.964 373 F CB 1.888 40.963 39.000 0.125 0.000 1.258 373 F HN 0.443 nan 8.300 nan 0.000 0.484 374 M N 3.325 122.958 119.600 0.054 0.000 2.264 374 M HA 0.494 4.974 4.480 -0.000 0.000 0.352 374 M C -1.185 175.090 176.300 -0.042 0.000 1.173 374 M CA -0.595 54.671 55.300 -0.056 0.000 1.075 374 M CB 1.158 33.770 32.600 0.020 0.000 1.621 374 M HN 0.708 nan 8.290 nan 0.000 0.457 375 I N 6.927 127.398 120.570 -0.164 0.000 2.471 375 I HA 0.232 4.402 4.170 -0.000 0.000 0.286 375 I C -2.005 174.049 176.117 -0.105 0.000 1.079 375 I CA -1.840 59.326 61.300 -0.224 0.000 1.398 375 I CB 0.748 38.479 38.000 -0.448 0.000 1.403 375 I HN 0.503 nan 8.210 nan 0.000 0.530 376 P HA -0.003 nan 4.420 nan 0.000 0.269 376 P C -1.003 176.035 177.300 -0.437 0.000 1.215 376 P CA -0.333 62.536 63.100 -0.386 0.000 0.780 376 P CB 0.440 31.714 31.700 -0.709 0.000 0.898 377 Q N 1.847 121.327 119.800 -0.533 0.000 2.243 377 Q HA 0.217 4.557 4.340 -0.000 0.000 0.252 377 Q C -1.309 174.633 176.000 -0.097 0.000 0.909 377 Q CA -0.715 54.638 55.803 -0.749 0.000 0.922 377 Q CB 0.416 28.268 28.738 -1.477 0.000 1.215 377 Q HN 0.390 nan 8.270 nan 0.000 0.427 378 Y N 2.522 122.815 120.300 -0.011 0.000 2.316 378 Y HA 0.564 5.114 4.550 -0.000 0.000 0.331 378 Y C -0.210 175.683 175.900 -0.013 0.000 1.083 378 Y CA 0.436 58.582 58.100 0.076 0.000 1.206 378 Y CB 1.106 39.617 38.460 0.084 0.000 1.195 378 Y HN 0.680 nan 8.280 nan 0.000 0.497 379 G N 4.747 113.112 108.800 -0.725 0.000 2.690 379 G HA2 0.546 4.506 3.960 -0.000 0.000 0.291 379 G HA3 0.546 4.506 3.960 -0.000 0.000 0.291 379 G C -2.295 172.226 174.900 -0.632 0.000 1.403 379 G CA -0.759 43.998 45.100 -0.571 0.000 0.864 379 G HN 0.789 nan 8.290 nan 0.000 0.480 380 Y N -1.568 118.505 120.300 -0.379 0.000 2.670 380 Y HA 0.814 5.364 4.550 -0.000 0.000 0.334 380 Y C -1.447 174.439 175.900 -0.024 0.000 1.185 380 Y CA -1.685 56.278 58.100 -0.229 0.000 1.053 380 Y CB 1.281 39.641 38.460 -0.166 0.000 1.298 380 Y HN 0.511 nan 8.280 nan 0.000 0.459 381 L N 1.645 122.990 121.223 0.204 0.000 2.341 381 L HA 0.870 5.210 4.340 -0.000 0.000 0.267 381 L C -0.461 176.642 176.870 0.388 0.000 1.009 381 L CA -0.711 54.249 54.840 0.200 0.000 0.819 381 L CB 2.573 44.689 42.059 0.095 0.000 1.323 381 L HN 0.963 nan 8.230 nan 0.000 0.425 382 T N -0.441 114.358 114.554 0.409 0.000 2.724 382 T HA 0.553 4.903 4.350 -0.000 0.000 0.274 382 T C -0.192 174.690 174.700 0.304 0.000 0.984 382 T CA -0.903 61.438 62.100 0.402 0.000 1.024 382 T CB 1.060 70.225 68.868 0.496 0.000 1.320 382 T HN 0.244 nan 8.240 nan 0.000 0.555 383 L N 2.683 124.043 121.223 0.229 0.000 2.467 383 L HA 0.389 4.729 4.340 -0.000 0.000 0.270 383 L C 0.565 177.504 176.870 0.115 0.000 1.205 383 L CA -0.446 54.484 54.840 0.150 0.000 0.828 383 L CB -0.054 42.063 42.059 0.097 0.000 1.101 383 L HN 0.769 nan 8.230 nan 0.000 0.479 384 N N 0.908 119.663 118.700 0.091 0.000 2.708 384 N HA 0.217 4.957 4.740 -0.000 0.000 0.257 384 N C -1.706 173.818 175.510 0.024 0.000 1.373 384 N CA -0.741 52.338 53.050 0.048 0.000 0.843 384 N CB 2.089 40.679 38.487 0.172 0.000 1.503 384 N HN 0.495 nan 8.380 nan 0.000 0.504 385 N N 0.070 118.764 118.700 -0.010 0.000 2.664 385 N HA 0.364 5.104 4.740 -0.000 0.000 0.257 385 N C 0.558 176.065 175.510 -0.005 0.000 1.108 385 N CA 0.977 54.022 53.050 -0.007 0.000 0.822 385 N CB 0.543 39.014 38.487 -0.026 0.000 1.199 385 N HN 1.034 nan 8.380 nan 0.000 0.529 386 G N 2.599 111.404 108.800 0.009 0.000 2.536 386 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.280 386 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.280 386 G C 0.530 175.426 174.900 -0.005 0.000 1.152 386 G CA 0.610 45.708 45.100 -0.003 0.000 0.970 386 G HN 1.058 nan 8.290 nan 0.000 0.549 387 S N 0.321 116.014 115.700 -0.011 0.000 2.557 387 S HA 0.453 4.923 4.470 -0.000 0.000 0.223 387 S C 0.666 175.329 174.600 0.105 0.000 0.969 387 S CA 0.791 58.995 58.200 0.006 0.000 0.927 387 S CB 0.358 63.530 63.200 -0.045 0.000 0.806 387 S HN 0.754 nan 8.310 nan 0.000 0.489 388 Q N 0.748 120.563 119.800 0.025 0.000 2.215 388 Q HA 0.767 5.107 4.340 -0.000 0.000 0.256 388 Q C -0.304 175.500 176.000 -0.327 0.000 0.972 388 Q CA -0.767 54.992 55.803 -0.074 0.000 0.889 388 Q CB 1.805 30.494 28.738 -0.082 0.000 1.281 388 Q HN 0.425 nan 8.270 nan 0.000 0.456 389 A N 0.914 123.289 122.820 -0.742 0.000 2.257 389 A HA 0.682 5.002 4.320 -0.000 0.000 0.289 389 A C -0.074 177.269 177.584 -0.401 0.000 1.095 389 A CA -0.439 50.998 52.037 -1.000 0.000 0.836 389 A CB 0.518 18.662 19.000 -1.426 0.000 1.111 389 A HN 0.545 nan 8.150 nan 0.000 0.497 390 V N -2.858 116.897 119.914 -0.266 0.000 3.145 390 V HA 0.808 4.928 4.120 -0.000 0.000 0.311 390 V C 1.258 177.301 176.094 -0.085 0.000 1.238 390 V CA -0.000 62.222 62.300 -0.129 0.000 1.066 390 V CB 0.779 32.560 31.823 -0.070 0.000 1.144 390 V HN 1.222 nan 8.190 nan 0.000 0.465 391 G N -0.305 108.468 108.800 -0.045 0.000 2.440 391 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.218 391 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.218 391 G C 1.326 176.224 174.900 -0.003 0.000 1.154 391 G CA 0.869 45.956 45.100 -0.023 0.000 0.767 391 G HN 0.762 nan 8.290 nan 0.000 0.552 392 R N 0.626 121.131 120.500 0.009 0.000 2.313 392 R HA 0.139 4.479 4.340 -0.000 0.000 0.199 392 R C 0.550 176.886 176.300 0.061 0.000 0.958 392 R CA -0.070 56.050 56.100 0.034 0.000 1.047 392 R CB 0.053 30.380 30.300 0.045 0.000 0.955 392 R HN 0.170 nan 8.270 nan 0.000 0.481 393 S N 1.147 116.877 115.700 0.049 0.000 2.546 393 S HA 0.057 4.527 4.470 -0.000 0.000 0.290 393 S C 0.124 174.821 174.600 0.163 0.000 1.290 393 S CA 0.098 58.369 58.200 0.119 0.000 1.069 393 S CB 1.134 64.353 63.200 0.033 0.000 0.846 393 S HN 0.076 nan 8.310 nan 0.000 0.495 394 S N 2.435 118.272 115.700 0.228 0.000 2.509 394 S HA 0.610 5.080 4.470 -0.000 0.000 0.297 394 S C -0.797 173.916 174.600 0.188 0.000 1.118 394 S CA -0.584 57.662 58.200 0.077 0.000 1.074 394 S CB 0.701 63.851 63.200 -0.083 0.000 1.038 394 S HN 0.562 nan 8.310 nan 0.000 0.498 395 F N 3.390 123.200 119.950 -0.235 0.000 2.482 395 F HA 0.629 5.156 4.527 -0.000 0.000 0.331 395 F C -1.693 173.837 175.800 -0.451 0.000 1.115 395 F CA -1.427 56.414 58.000 -0.264 0.000 0.955 395 F CB 0.599 39.411 39.000 -0.313 0.000 1.136 395 F HN 0.515 nan 8.300 nan 0.000 0.452 396 Y N 4.850 124.783 120.300 -0.613 0.000 2.364 396 Y HA 0.459 5.009 4.550 -0.000 0.000 0.340 396 Y C -0.302 175.136 175.900 -0.770 0.000 0.975 396 Y CA -0.853 56.896 58.100 -0.586 0.000 1.089 396 Y CB 1.704 39.929 38.460 -0.391 0.000 1.192 396 Y HN 0.781 nan 8.280 nan 0.000 0.454 397 C N 6.017 125.048 119.300 -0.449 0.000 2.264 397 C HA 0.412 4.872 4.460 -0.000 0.000 0.324 397 C C 1.220 176.277 174.990 0.111 0.000 1.267 397 C CA -0.632 58.150 59.018 -0.392 0.000 1.618 397 C CB -1.098 26.384 27.740 -0.429 0.000 2.278 397 C HN 1.059 nan 8.230 nan 0.000 0.499 398 L N 3.391 124.743 121.223 0.215 0.000 2.376 398 L HA 0.010 4.350 4.340 -0.000 0.000 0.219 398 L C 1.878 178.804 176.870 0.093 0.000 1.133 398 L CA 1.142 55.927 54.840 -0.092 0.000 0.816 398 L CB -0.446 41.096 42.059 -0.863 0.000 0.933 398 L HN 0.726 nan 8.230 nan 0.000 0.449 399 E N -0.831 119.605 120.200 0.394 0.000 2.511 399 E HA -0.151 4.199 4.350 -0.000 0.000 0.196 399 E C 1.479 178.246 176.600 0.277 0.000 1.066 399 E CA 0.236 56.877 56.400 0.402 0.000 0.871 399 E CB -0.108 29.838 29.700 0.410 0.000 0.863 399 E HN 0.321 nan 8.360 nan 0.000 0.520 400 Y N -0.489 119.874 120.300 0.104 0.000 2.544 400 Y HA 0.142 4.692 4.550 -0.000 0.000 0.286 400 Y C -0.307 175.480 175.900 -0.189 0.000 1.141 400 Y CA -0.418 57.657 58.100 -0.042 0.000 1.299 400 Y CB 0.044 38.437 38.460 -0.111 0.000 1.030 400 Y HN -0.171 nan 8.280 nan 0.000 0.543 401 F N 1.538 121.245 119.950 -0.405 0.000 2.379 401 F HA 0.445 4.972 4.527 -0.000 0.000 0.332 401 F C -1.778 173.676 175.800 -0.576 0.000 1.096 401 F CA -3.031 54.571 58.000 -0.664 0.000 1.105 401 F CB 0.073 38.336 39.000 -1.228 0.000 1.189 401 F HN -0.127 nan 8.300 nan 0.000 0.515 402 P HA 0.258 nan 4.420 nan 0.000 0.271 402 P C -1.134 176.070 177.300 -0.161 0.000 1.216 402 P CA -0.260 62.740 63.100 -0.166 0.000 0.776 402 P CB 0.923 32.550 31.700 -0.121 0.000 0.881 403 S N 0.925 116.613 115.700 -0.019 0.000 2.546 403 S HA 0.372 4.842 4.470 -0.000 0.000 0.274 403 S C -1.019 173.669 174.600 0.146 0.000 1.121 403 S CA -0.987 57.282 58.200 0.115 0.000 0.887 403 S CB 1.430 64.790 63.200 0.267 0.000 1.094 403 S HN 0.427 nan 8.310 nan 0.000 0.474 404 Q N 1.458 121.361 119.800 0.172 0.000 2.286 404 Q HA 0.409 4.749 4.340 -0.000 0.000 0.257 404 Q C -0.987 175.098 176.000 0.142 0.000 0.941 404 Q CA -0.145 55.759 55.803 0.168 0.000 0.912 404 Q CB 0.653 29.543 28.738 0.252 0.000 1.192 404 Q HN 0.724 nan 8.270 nan 0.000 0.410 405 M N 5.709 125.385 119.600 0.127 0.000 2.149 405 M HA 0.402 4.882 4.480 -0.000 0.000 0.342 405 M C -1.030 175.336 176.300 0.110 0.000 1.068 405 M CA -0.515 54.849 55.300 0.107 0.000 0.991 405 M CB 0.903 33.555 32.600 0.088 0.000 1.596 405 M HN 0.432 nan 8.290 nan 0.000 0.439 406 L N 2.564 123.854 121.223 0.112 0.000 2.365 406 L HA 0.693 5.033 4.340 -0.000 0.000 0.273 406 L C -0.318 176.610 176.870 0.097 0.000 1.000 406 L CA -1.042 53.871 54.840 0.121 0.000 0.819 406 L CB 1.721 43.878 42.059 0.164 0.000 1.284 406 L HN 0.724 nan 8.230 nan 0.000 0.418 407 R N -0.011 120.540 120.500 0.084 0.000 2.691 407 R HA 0.407 4.747 4.340 -0.000 0.000 0.259 407 R C -0.102 176.238 176.300 0.067 0.000 1.048 407 R CA -0.851 55.286 56.100 0.062 0.000 1.086 407 R CB 1.646 31.975 30.300 0.048 0.000 1.166 407 R HN 0.592 nan 8.270 nan 0.000 0.526 408 T N -0.256 114.324 114.554 0.044 0.000 2.905 408 T HA 0.150 4.500 4.350 -0.000 0.000 0.299 408 T C 1.153 175.884 174.700 0.052 0.000 1.024 408 T CA 1.907 64.031 62.100 0.039 0.000 1.151 408 T CB 0.048 68.922 68.868 0.010 0.000 0.987 408 T HN 0.772 nan 8.240 nan 0.000 0.535 409 G N 4.135 112.976 108.800 0.068 0.000 2.284 409 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.216 409 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.216 409 G C 0.142 175.095 174.900 0.089 0.000 1.009 409 G CA 0.038 45.180 45.100 0.070 0.000 0.625 409 G HN 0.768 nan 8.290 nan 0.000 0.501 410 N N 1.217 119.981 118.700 0.106 0.000 2.489 410 N HA 0.588 5.328 4.740 -0.000 0.000 0.284 410 N C -0.261 175.355 175.510 0.176 0.000 1.158 410 N CA -0.057 53.070 53.050 0.128 0.000 0.965 410 N CB 0.814 39.379 38.487 0.129 0.000 1.195 410 N HN 0.617 nan 8.380 nan 0.000 0.506 411 N N -0.017 118.800 118.700 0.196 0.000 2.697 411 N HA 0.535 5.275 4.740 -0.000 0.000 0.272 411 N C -1.824 173.879 175.510 0.321 0.000 1.381 411 N CA -0.756 52.450 53.050 0.260 0.000 0.797 411 N CB 1.276 39.895 38.487 0.219 0.000 1.523 411 N HN 0.446 nan 8.380 nan 0.000 0.518 412 F N -0.470 119.586 119.950 0.178 0.000 2.601 412 F HA 0.604 5.131 4.527 -0.000 0.000 0.309 412 F C -1.712 174.206 175.800 0.197 0.000 1.089 412 F CA -0.291 57.823 58.000 0.191 0.000 0.940 412 F CB 1.694 40.832 39.000 0.230 0.000 1.273 412 F HN 0.793 nan 8.300 nan 0.000 0.450 413 Q N 4.560 123.824 119.800 -0.895 0.000 2.647 413 Q HA 0.550 4.890 4.340 -0.000 0.000 0.283 413 Q C -2.100 173.633 176.000 -0.444 0.000 0.943 413 Q CA -0.929 54.542 55.803 -0.553 0.000 0.813 413 Q CB 2.899 31.486 28.738 -0.251 0.000 1.477 413 Q HN 0.884 nan 8.270 nan 0.000 0.393 414 F N -2.022 117.738 119.950 -0.316 0.000 2.713 414 F HA 0.835 5.362 4.527 -0.000 0.000 0.311 414 F C -1.597 174.168 175.800 -0.057 0.000 1.141 414 F CA -0.700 57.192 58.000 -0.179 0.000 0.939 414 F CB 1.922 40.842 39.000 -0.134 0.000 1.325 414 F HN 0.514 nan 8.300 nan 0.000 0.453 415 T N 1.485 116.061 114.554 0.036 0.000 2.908 415 T HA 0.583 4.932 4.350 -0.000 0.000 0.290 415 T C -2.243 172.550 174.700 0.155 0.000 1.034 415 T CA -0.518 61.548 62.100 -0.057 0.000 1.010 415 T CB 1.486 70.323 68.868 -0.051 0.000 1.068 415 T HN 0.749 nan 8.240 nan 0.000 0.481 416 Y N 0.596 120.824 120.300 -0.120 0.000 2.544 416 Y HA 0.550 5.100 4.550 -0.000 0.000 0.342 416 Y C -1.179 174.594 175.900 -0.211 0.000 1.062 416 Y CA -0.573 57.458 58.100 -0.115 0.000 1.023 416 Y CB 1.806 40.205 38.460 -0.102 0.000 1.308 416 Y HN 0.574 nan 8.280 nan 0.000 0.457 417 T N 6.372 120.313 114.554 -1.021 0.000 2.812 417 T HA 0.447 4.797 4.350 -0.000 0.000 0.282 417 T C -0.969 173.046 174.700 -1.143 0.000 0.990 417 T CA -0.375 61.261 62.100 -0.773 0.000 0.960 417 T CB 0.323 68.953 68.868 -0.398 0.000 0.948 417 T HN 0.406 nan 8.240 nan 0.000 0.438 418 F N 2.961 122.539 119.950 -0.620 0.000 2.459 418 F HA 0.228 4.755 4.527 -0.000 0.000 0.346 418 F C 1.504 177.140 175.800 -0.273 0.000 1.128 418 F CA -0.618 57.156 58.000 -0.376 0.000 1.268 418 F CB 0.629 39.493 39.000 -0.225 0.000 1.161 418 F HN 0.560 nan 8.300 nan 0.000 0.583 419 E N 1.534 121.737 120.200 0.004 0.000 2.369 419 E HA 0.055 4.405 4.350 -0.000 0.000 0.255 419 E C -0.827 175.772 176.600 -0.003 0.000 1.172 419 E CA -0.870 55.526 56.400 -0.008 0.000 0.932 419 E CB 0.518 30.239 29.700 0.034 0.000 1.040 419 E HN 0.443 nan 8.360 nan 0.000 0.454 420 D N 0.574 120.958 120.400 -0.026 0.000 2.458 420 D HA 0.162 4.802 4.640 -0.000 0.000 0.243 420 D C -1.014 175.263 176.300 -0.039 0.000 1.146 420 D CA 0.306 54.275 54.000 -0.051 0.000 0.877 420 D CB 1.416 42.188 40.800 -0.048 0.000 1.176 420 D HN 0.169 nan 8.370 nan 0.000 0.461 421 V N 4.394 124.265 119.914 -0.071 0.000 3.012 421 V HA 0.318 4.438 4.120 -0.000 0.000 0.307 421 V C -2.393 173.665 176.094 -0.060 0.000 1.166 421 V CA -1.678 60.614 62.300 -0.012 0.000 0.974 421 V CB 2.574 34.434 31.823 0.062 0.000 1.040 421 V HN 0.411 nan 8.190 nan 0.000 0.428 422 P HA 0.287 nan 4.420 nan 0.000 0.272 422 P C -0.843 176.499 177.300 0.070 0.000 1.230 422 P CA -0.002 63.095 63.100 -0.004 0.000 0.788 422 P CB 0.258 31.980 31.700 0.035 0.000 0.949 423 F N 0.123 120.154 119.950 0.135 0.000 2.518 423 F HA 0.106 4.633 4.527 -0.000 0.000 0.359 423 F C 1.649 177.487 175.800 0.063 0.000 1.118 423 F CA 0.088 58.176 58.000 0.146 0.000 1.287 423 F CB 0.111 39.179 39.000 0.112 0.000 1.132 423 F HN 0.402 nan 8.300 nan 0.000 0.587 424 H N 1.369 120.482 119.070 0.071 0.000 2.732 424 H HA 0.157 4.713 4.556 -0.000 0.000 0.351 424 H C -0.100 175.125 175.328 -0.171 0.000 1.090 424 H CA -0.879 55.009 56.048 -0.266 0.000 1.431 424 H CB 0.812 30.160 29.762 -0.690 0.000 1.447 424 H HN 0.484 nan 8.280 nan 0.000 0.582 425 S N 3.050 118.152 115.700 -0.997 0.000 3.065 425 S HA 0.075 4.545 4.470 -0.000 0.000 0.311 425 S C 0.071 174.115 174.600 -0.927 0.000 1.204 425 S CA -0.283 57.424 58.200 -0.821 0.000 1.040 425 S CB -0.619 62.010 63.200 -0.950 0.000 1.436 425 S HN 0.630 nan 8.310 nan 0.000 0.532 426 S N 2.556 118.075 115.700 -0.302 0.000 3.812 426 S HA 0.477 4.947 4.470 -0.000 0.000 0.195 426 S C -0.310 174.324 174.600 0.056 0.000 1.460 426 S CA -0.860 57.315 58.200 -0.043 0.000 1.052 426 S CB -1.201 62.144 63.200 0.241 0.000 1.385 426 S HN 0.890 nan 8.310 nan 0.000 0.490 427 Y N -2.352 117.861 120.300 -0.145 0.000 2.677 427 Y HA 0.809 5.359 4.550 -0.000 0.000 0.334 427 Y C -1.001 174.744 175.900 -0.259 0.000 1.196 427 Y CA -1.715 56.296 58.100 -0.148 0.000 1.059 427 Y CB 0.548 38.855 38.460 -0.256 0.000 1.315 427 Y HN 0.294 nan 8.280 nan 0.000 0.455 428 A N 1.335 124.137 122.820 -0.031 0.000 2.355 428 A HA 0.639 4.959 4.320 -0.000 0.000 0.324 428 A C -1.331 176.253 177.584 0.000 0.000 1.117 428 A CA -0.866 51.101 52.037 -0.117 0.000 0.785 428 A CB 0.663 19.620 19.000 -0.072 0.000 1.254 428 A HN 0.813 nan 8.150 nan 0.000 0.453 429 H N 1.479 120.594 119.070 0.074 0.000 2.683 429 H HA 0.196 4.752 4.556 -0.000 0.000 0.339 429 H C 0.970 176.312 175.328 0.024 0.000 1.081 429 H CA 0.953 57.031 56.048 0.050 0.000 1.432 429 H CB 1.313 31.088 29.762 0.021 0.000 1.462 429 H HN 0.695 nan 8.280 nan 0.000 0.557 430 S N 2.262 118.049 115.700 0.146 0.000 2.582 430 S HA 0.197 4.667 4.470 -0.000 0.000 0.234 430 S C 0.377 175.018 174.600 0.069 0.000 0.961 430 S CA -0.496 57.758 58.200 0.091 0.000 0.953 430 S CB 0.512 63.760 63.200 0.079 0.000 0.800 430 S HN 0.587 nan 8.310 nan 0.000 0.471 431 Q N 0.905 120.745 119.800 0.067 0.000 2.462 431 Q HA 0.543 4.883 4.340 -0.000 0.000 0.285 431 Q C -1.397 174.598 176.000 -0.007 0.000 1.035 431 Q CA -0.674 55.140 55.803 0.018 0.000 0.799 431 Q CB 2.500 31.232 28.738 -0.011 0.000 1.452 431 Q HN 0.475 nan 8.270 nan 0.000 0.404 432 S N 0.269 115.960 115.700 -0.015 0.000 2.532 432 S HA 0.422 4.892 4.470 -0.000 0.000 0.301 432 S C 0.826 175.407 174.600 -0.032 0.000 1.083 432 S CA -0.839 57.346 58.200 -0.025 0.000 1.025 432 S CB 1.015 64.213 63.200 -0.004 0.000 1.056 432 S HN 0.766 nan 8.310 nan 0.000 0.494 433 L N 0.890 122.092 121.223 -0.036 0.000 2.137 433 L HA -0.172 4.168 4.340 -0.000 0.000 0.213 433 L C 1.621 178.513 176.870 0.035 0.000 1.085 433 L CA 2.147 56.989 54.840 0.004 0.000 0.760 433 L CB -0.468 41.607 42.059 0.028 0.000 0.893 433 L HN 0.904 nan 8.230 nan 0.000 0.434 434 D N -1.515 118.891 120.400 0.009 0.000 2.328 434 D HA -0.062 4.578 4.640 -0.000 0.000 0.221 434 D C 0.721 177.017 176.300 -0.007 0.000 1.072 434 D CA 0.113 54.113 54.000 -0.001 0.000 0.850 434 D CB 0.114 40.903 40.800 -0.019 0.000 0.922 434 D HN 0.113 nan 8.370 nan 0.000 0.516 435 R N 0.652 121.151 120.500 -0.001 0.000 2.718 435 R HA 0.315 4.655 4.340 -0.000 0.000 0.307 435 R C 0.483 176.785 176.300 0.004 0.000 1.244 435 R CA -0.141 55.958 56.100 -0.002 0.000 1.348 435 R CB 0.073 30.372 30.300 -0.002 0.000 1.304 435 R HN 0.191 nan 8.270 nan 0.000 0.663 436 L N 0.262 121.494 121.223 0.014 0.000 2.640 436 L HA 0.221 4.561 4.340 -0.000 0.000 0.230 436 L C 0.267 177.149 176.870 0.019 0.000 1.123 436 L CA 0.057 54.911 54.840 0.023 0.000 0.900 436 L CB -0.022 42.072 42.059 0.058 0.000 1.146 436 L HN 0.090 nan 8.230 nan 0.000 0.484 437 M N -1.612 117.990 119.600 0.004 0.000 2.159 437 M HA 0.229 4.709 4.480 -0.000 0.000 0.293 437 M C 0.271 176.570 176.300 -0.001 0.000 1.186 437 M CA -0.477 54.821 55.300 -0.004 0.000 1.073 437 M CB -0.302 32.283 32.600 -0.024 0.000 1.419 437 M HN -0.182 nan 8.290 nan 0.000 0.490 438 N N 0.802 119.501 118.700 -0.003 0.000 2.411 438 N HA 0.254 4.994 4.740 -0.000 0.000 0.259 438 N C -2.072 173.435 175.510 -0.005 0.000 1.103 438 N CA -1.562 51.489 53.050 0.001 0.000 0.954 438 N CB 0.742 39.233 38.487 0.005 0.000 1.085 438 N HN 0.326 nan 8.380 nan 0.000 0.485 439 P HA -0.029 nan 4.420 nan 0.000 0.223 439 P C 0.702 178.000 177.300 -0.004 0.000 1.144 439 P CA 1.128 64.225 63.100 -0.004 0.000 0.783 439 P CB 0.331 32.030 31.700 -0.001 0.000 0.771 440 L N -2.962 118.260 121.223 -0.002 0.000 2.664 440 L HA 0.205 4.545 4.340 -0.000 0.000 0.233 440 L C 0.590 177.460 176.870 0.000 0.000 1.113 440 L CA -0.034 54.805 54.840 -0.001 0.000 0.896 440 L CB 0.100 42.159 42.059 0.001 0.000 1.163 440 L HN -0.166 nan 8.230 nan 0.000 0.497 441 I N -0.557 120.012 120.570 -0.001 0.000 2.569 441 I HA 0.380 4.550 4.170 -0.000 0.000 0.296 441 I C -0.513 175.598 176.117 -0.011 0.000 1.028 441 I CA -0.632 60.668 61.300 0.001 0.000 1.082 441 I CB 1.721 39.727 38.000 0.010 0.000 1.264 441 I HN -0.138 nan 8.210 nan 0.000 0.429 442 D N 3.576 123.969 120.400 -0.012 0.000 2.354 442 D HA 0.282 4.921 4.640 -0.000 0.000 0.247 442 D C 0.236 176.506 176.300 -0.050 0.000 1.138 442 D CA -0.214 53.766 54.000 -0.033 0.000 0.958 442 D CB 0.943 41.721 40.800 -0.038 0.000 1.144 442 D HN 0.386 nan 8.370 nan 0.000 0.458 443 Q N -0.078 119.659 119.800 -0.104 0.000 2.256 443 Q HA 0.175 4.515 4.340 -0.000 0.000 0.232 443 Q C 0.420 176.319 176.000 -0.169 0.000 0.965 443 Q CA -0.476 55.208 55.803 -0.198 0.000 0.908 443 Q CB 0.670 29.257 28.738 -0.252 0.000 1.209 443 Q HN 0.583 nan 8.270 nan 0.000 0.489 444 Y N -1.373 118.893 120.300 -0.055 0.000 2.500 444 Y HA 0.266 4.816 4.550 -0.000 0.000 0.270 444 Y C 0.126 176.003 175.900 -0.038 0.000 1.134 444 Y CA -0.544 57.526 58.100 -0.049 0.000 1.293 444 Y CB 0.275 38.735 38.460 0.001 0.000 1.063 444 Y HN 0.248 nan 8.280 nan 0.000 0.534 445 L N 1.103 122.181 121.223 -0.241 0.000 2.417 445 L HA 0.213 4.553 4.340 -0.000 0.000 0.268 445 L C -0.622 176.226 176.870 -0.037 0.000 1.158 445 L CA -0.837 53.968 54.840 -0.059 0.000 0.819 445 L CB 0.012 41.967 42.059 -0.174 0.000 1.112 445 L HN 0.167 nan 8.230 nan 0.000 0.458 446 Y N 1.930 122.269 120.300 0.064 0.000 2.567 446 Y HA 0.578 5.128 4.550 -0.000 0.000 0.333 446 Y C -0.369 175.655 175.900 0.208 0.000 1.106 446 Y CA -0.476 57.683 58.100 0.098 0.000 1.157 446 Y CB 1.572 40.049 38.460 0.029 0.000 1.277 446 Y HN 0.518 nan 8.280 nan 0.000 0.490 447 Y N -1.140 119.350 120.300 0.317 0.000 2.553 447 Y HA 0.558 5.108 4.550 -0.000 0.000 0.347 447 Y C -1.401 174.680 175.900 0.302 0.000 1.019 447 Y CA -1.702 56.546 58.100 0.246 0.000 1.032 447 Y CB 0.833 39.356 38.460 0.104 0.000 1.284 447 Y HN 0.520 nan 8.280 nan 0.000 0.466 448 L N 3.521 124.901 121.223 0.262 0.000 2.530 448 L HA 0.094 4.434 4.340 -0.000 0.000 0.273 448 L C 0.675 177.481 176.870 -0.106 0.000 1.141 448 L CA 0.703 55.475 54.840 -0.114 0.000 0.905 448 L CB 0.905 42.937 42.059 -0.046 0.000 1.202 448 L HN 1.091 nan 8.230 nan 0.000 0.473 449 S N 4.353 119.852 115.700 -0.335 0.000 2.506 449 S HA 0.146 4.616 4.470 -0.000 0.000 0.219 449 S C 0.670 175.194 174.600 -0.126 0.000 1.031 449 S CA -0.396 57.691 58.200 -0.189 0.000 0.911 449 S CB 0.450 63.441 63.200 -0.349 0.000 0.812 449 S HN 0.711 nan 8.310 nan 0.000 0.497 450 R N -0.367 120.002 120.500 -0.219 0.000 2.621 450 R HA 0.507 4.847 4.340 -0.000 0.000 0.284 450 R C -0.865 175.325 176.300 -0.184 0.000 0.998 450 R CA -0.130 55.876 56.100 -0.157 0.000 0.895 450 R CB 1.683 31.904 30.300 -0.131 0.000 1.195 450 R HN 0.059 nan 8.270 nan 0.000 0.450 451 T N 1.754 116.239 114.554 -0.115 0.000 2.975 451 T HA 0.131 4.481 4.350 -0.000 0.000 0.257 451 T C -0.405 174.254 174.700 -0.068 0.000 1.003 451 T CA 0.194 62.235 62.100 -0.099 0.000 0.932 451 T CB 0.354 69.180 68.868 -0.069 0.000 1.087 451 T HN 0.534 nan 8.240 nan 0.000 0.512 452 Q N 1.590 121.355 119.800 -0.059 0.000 2.377 452 Q HA 0.414 4.754 4.340 -0.000 0.000 0.279 452 Q C -0.674 175.304 176.000 -0.037 0.000 1.049 452 Q CA -0.630 55.148 55.803 -0.041 0.000 0.825 452 Q CB 1.865 30.585 28.738 -0.030 0.000 1.401 452 Q HN 0.341 nan 8.270 nan 0.000 0.404 453 T N -0.523 114.013 114.554 -0.029 0.000 2.748 453 T HA 0.116 4.466 4.350 -0.000 0.000 0.304 453 T C 0.651 175.340 174.700 -0.019 0.000 1.041 453 T CA 0.436 62.522 62.100 -0.024 0.000 1.033 453 T CB 1.095 69.953 68.868 -0.018 0.000 0.995 453 T HN 0.670 nan 8.240 nan 0.000 0.536 454 T N -1.518 113.027 114.554 -0.016 0.000 2.969 454 T HA 0.303 4.653 4.350 -0.000 0.000 0.258 454 T C 1.995 176.690 174.700 -0.009 0.000 0.962 454 T CA 0.539 62.632 62.100 -0.012 0.000 0.903 454 T CB -0.758 68.103 68.868 -0.012 0.000 1.177 454 T HN 0.851 nan 8.240 nan 0.000 0.511 455 G N 0.509 109.304 108.800 -0.008 0.000 2.663 455 G HA2 0.327 4.287 3.960 -0.000 0.000 0.212 455 G HA3 0.327 4.287 3.960 -0.000 0.000 0.212 455 G C 1.020 175.917 174.900 -0.005 0.000 1.142 455 G CA 0.919 46.016 45.100 -0.006 0.000 0.762 455 G HN 0.984 nan 8.290 nan 0.000 0.551 456 G N -1.576 107.221 108.800 -0.006 0.000 1.884 456 G HA2 -0.010 3.950 3.960 -0.000 0.000 0.053 456 G HA3 -0.010 3.950 3.960 -0.000 0.000 0.053 456 G C 0.532 175.428 174.900 -0.005 0.000 0.780 456 G CA 0.533 45.630 45.100 -0.005 0.000 1.118 456 G HN 0.368 nan 8.290 nan 0.000 0.344 457 T N 1.107 115.658 114.554 -0.005 0.000 3.004 457 T HA 0.514 4.864 4.350 -0.000 0.000 0.266 457 T C 1.471 176.168 174.700 -0.006 0.000 0.986 457 T CA 1.222 63.319 62.100 -0.005 0.000 0.902 457 T CB 0.985 69.851 68.868 -0.004 0.000 1.118 457 T HN 1.224 nan 8.240 nan 0.000 0.522 458 A N 2.014 124.831 122.820 -0.006 0.000 2.412 458 A HA 0.236 4.556 4.320 -0.000 0.000 0.253 458 A C 0.399 177.978 177.584 -0.007 0.000 1.334 458 A CA -0.455 51.578 52.037 -0.006 0.000 0.929 458 A CB -0.496 18.500 19.000 -0.005 0.000 0.983 458 A HN 0.256 nan 8.150 nan 0.000 0.508 459 N N 2.550 121.245 118.700 -0.008 0.000 2.417 459 N HA 0.091 4.831 4.740 -0.000 0.000 0.272 459 N C 0.308 175.811 175.510 -0.011 0.000 1.304 459 N CA 0.990 54.033 53.050 -0.011 0.000 0.906 459 N CB 0.571 39.051 38.487 -0.011 0.000 1.135 459 N HN 0.582 nan 8.380 nan 0.000 0.483 460 T N -1.511 113.036 114.554 -0.013 0.000 2.907 460 T HA 0.331 4.681 4.350 -0.000 0.000 0.290 460 T C -0.009 174.680 174.700 -0.017 0.000 1.066 460 T CA -1.162 60.930 62.100 -0.013 0.000 1.012 460 T CB 1.522 70.384 68.868 -0.010 0.000 1.184 460 T HN 0.357 nan 8.240 nan 0.000 0.522 461 Q N 0.597 120.386 119.800 -0.017 0.000 2.392 461 Q HA 0.480 4.820 4.340 -0.000 0.000 0.262 461 Q C -0.278 175.707 176.000 -0.025 0.000 1.003 461 Q CA -0.210 55.580 55.803 -0.023 0.000 0.888 461 Q CB 0.684 29.410 28.738 -0.019 0.000 1.260 461 Q HN 0.821 nan 8.270 nan 0.000 0.435 462 T N 0.591 115.122 114.554 -0.038 0.000 2.665 462 T HA 0.555 4.905 4.350 -0.000 0.000 0.303 462 T C -1.974 172.681 174.700 -0.076 0.000 1.334 462 T CA -0.656 61.418 62.100 -0.042 0.000 1.011 462 T CB 1.237 70.080 68.868 -0.042 0.000 1.573 462 T HN 0.386 nan 8.240 nan 0.000 0.492 463 L N 1.733 122.903 121.223 -0.089 0.000 2.441 463 L HA 0.772 5.112 4.340 -0.000 0.000 0.270 463 L C 0.176 176.879 176.870 -0.278 0.000 0.973 463 L CA -0.166 54.553 54.840 -0.202 0.000 0.842 463 L CB 1.247 43.273 42.059 -0.055 0.000 1.239 463 L HN 0.861 nan 8.230 nan 0.000 0.406 464 G N 2.837 111.348 108.800 -0.481 0.000 2.530 464 G HA2 0.688 4.648 3.960 -0.000 0.000 0.316 464 G HA3 0.688 4.648 3.960 -0.000 0.000 0.316 464 G C -1.486 173.034 174.900 -0.635 0.000 1.298 464 G CA -0.234 44.646 45.100 -0.366 0.000 0.948 464 G HN 0.204 nan 8.290 nan 0.000 0.486 465 F N 0.706 120.601 119.950 -0.091 0.000 2.546 465 F HA 0.743 5.270 4.527 -0.000 0.000 0.320 465 F C 0.544 176.331 175.800 -0.022 0.000 1.076 465 F CA -0.582 57.356 58.000 -0.102 0.000 0.928 465 F CB 2.917 41.860 39.000 -0.094 0.000 1.189 465 F HN 0.405 nan 8.300 nan 0.000 0.465 466 S N 0.241 115.918 115.700 -0.039 0.000 2.651 466 S HA 0.464 4.934 4.470 -0.000 0.000 0.279 466 S C -1.338 173.088 174.600 -0.290 0.000 1.148 466 S CA -1.090 57.034 58.200 -0.127 0.000 0.837 466 S CB 2.105 65.129 63.200 -0.294 0.000 1.138 466 S HN 0.519 nan 8.310 nan 0.000 0.478 467 Q N 0.771 120.393 119.800 -0.296 0.000 2.278 467 Q HA 0.512 4.852 4.340 -0.000 0.000 0.257 467 Q C 0.384 176.427 176.000 0.072 0.000 0.928 467 Q CA -0.600 55.031 55.803 -0.286 0.000 0.932 467 Q CB 1.346 29.806 28.738 -0.464 0.000 1.221 467 Q HN 0.830 nan 8.270 nan 0.000 0.434 468 G N 1.202 110.109 108.800 0.179 0.000 2.491 468 G HA2 0.418 4.378 3.960 -0.000 0.000 0.238 468 G HA3 0.418 4.378 3.960 -0.000 0.000 0.238 468 G C -0.120 174.783 174.900 0.005 0.000 1.277 468 G CA 0.306 45.466 45.100 0.099 0.000 0.851 468 G HN 0.654 nan 8.290 nan 0.000 0.573 469 G N 1.035 109.835 108.800 0.000 0.000 2.749 469 G HA2 0.666 4.626 3.960 -0.000 0.000 0.300 469 G HA3 0.666 4.626 3.960 -0.000 0.000 0.300 469 G C -1.841 173.050 174.900 -0.015 0.000 1.352 469 G CA -0.288 44.805 45.100 -0.012 0.000 0.789 469 G HN 0.312 nan 8.290 nan 0.000 0.509 470 P HA -0.138 nan 4.420 nan 0.000 0.217 470 P C 0.796 178.090 177.300 -0.009 0.000 1.148 470 P CA 1.134 64.228 63.100 -0.010 0.000 0.834 470 P CB 0.220 31.917 31.700 -0.005 0.000 0.783 471 N N -1.051 117.648 118.700 -0.002 0.000 2.336 471 N HA 0.015 4.755 4.740 -0.000 0.000 0.189 471 N C 0.487 175.995 175.510 -0.005 0.000 1.113 471 N CA 0.809 53.859 53.050 -0.000 0.000 0.858 471 N CB 0.039 38.531 38.487 0.008 0.000 0.970 471 N HN 0.283 nan 8.380 nan 0.000 0.471 472 T N -2.342 112.204 114.554 -0.014 0.000 3.448 472 T HA 0.333 4.683 4.350 -0.000 0.000 0.271 472 T C 1.289 175.932 174.700 -0.095 0.000 1.002 472 T CA -0.348 61.727 62.100 -0.040 0.000 0.995 472 T CB -0.277 68.594 68.868 0.006 0.000 1.153 472 T HN -0.095 nan 8.240 nan 0.000 0.510 473 M N 0.687 120.244 119.600 -0.071 0.000 2.358 473 M HA 0.023 4.503 4.480 -0.000 0.000 0.264 473 M C 2.597 178.835 176.300 -0.104 0.000 1.064 473 M CA 1.528 56.780 55.300 -0.079 0.000 1.093 473 M CB -0.403 32.167 32.600 -0.050 0.000 1.401 473 M HN 0.589 nan 8.290 nan 0.000 0.440 474 A N 0.575 123.330 122.820 -0.109 0.000 2.066 474 A HA -0.061 4.259 4.320 -0.000 0.000 0.218 474 A C 1.800 179.275 177.584 -0.183 0.000 1.157 474 A CA 1.093 53.060 52.037 -0.116 0.000 0.670 474 A CB -0.462 18.485 19.000 -0.089 0.000 0.804 474 A HN 0.521 nan 8.150 nan 0.000 0.453 475 N N -0.220 118.307 118.700 -0.289 0.000 2.405 475 N HA -0.007 4.733 4.740 -0.000 0.000 0.175 475 N C 0.174 175.378 175.510 -0.510 0.000 1.051 475 N CA 0.028 52.754 53.050 -0.540 0.000 0.899 475 N CB 0.024 37.886 38.487 -1.041 0.000 1.000 475 N HN 0.594 nan 8.380 nan 0.000 0.451 476 Q N 0.972 120.582 119.800 -0.318 0.000 2.333 476 Q HA 0.166 4.506 4.340 -0.000 0.000 0.299 476 Q C -0.044 175.861 176.000 -0.160 0.000 1.067 476 Q CA -0.099 55.581 55.803 -0.206 0.000 0.943 476 Q CB 0.641 29.296 28.738 -0.139 0.000 1.233 476 Q HN 0.212 nan 8.270 nan 0.000 0.401 477 A N 3.546 126.289 122.820 -0.128 0.000 2.425 477 A HA 0.249 4.569 4.320 -0.000 0.000 0.249 477 A C -0.266 177.244 177.584 -0.125 0.000 1.084 477 A CA 0.172 52.144 52.037 -0.109 0.000 0.781 477 A CB 0.402 19.341 19.000 -0.102 0.000 1.019 477 A HN 0.636 nan 8.150 nan 0.000 0.490 478 K N 1.148 121.473 120.400 -0.125 0.000 2.444 478 K HA 0.349 4.669 4.320 -0.000 0.000 0.252 478 K C -0.140 176.310 176.600 -0.249 0.000 0.993 478 K CA -1.041 55.159 56.287 -0.145 0.000 0.847 478 K CB 1.462 33.914 32.500 -0.081 0.000 1.340 478 K HN 0.595 nan 8.250 nan 0.000 0.446 479 N N -0.062 118.373 118.700 -0.442 0.000 2.392 479 N HA 0.072 4.812 4.740 -0.000 0.000 0.177 479 N C -0.521 174.324 175.510 -1.109 0.000 1.066 479 N CA 0.661 53.167 53.050 -0.907 0.000 0.895 479 N CB 0.361 38.055 38.487 -1.321 0.000 0.988 479 N HN 0.388 nan 8.380 nan 0.000 0.457 480 W N -0.046 121.258 121.300 0.008 0.000 2.967 480 W HA 0.626 5.286 4.660 -0.000 0.000 0.342 480 W C -0.584 175.960 176.519 0.043 0.000 1.162 480 W CA -0.783 56.578 57.345 0.026 0.000 1.085 480 W CB 0.572 30.039 29.460 0.012 0.000 1.460 480 W HN -0.345 nan 8.180 nan 0.000 0.584 481 L N 1.563 123.001 121.223 0.358 0.000 2.388 481 L HA 0.602 4.942 4.340 -0.000 0.000 0.264 481 L C -2.352 174.689 176.870 0.285 0.000 0.998 481 L CA -2.665 52.339 54.840 0.273 0.000 0.817 481 L CB 1.644 43.879 42.059 0.294 0.000 1.338 481 L HN 0.030 nan 8.230 nan 0.000 0.414 482 P HA 0.226 nan 4.420 nan 0.000 0.272 482 P C -0.127 177.395 177.300 0.371 0.000 1.230 482 P CA -0.271 62.956 63.100 0.213 0.000 0.788 482 P CB 0.518 32.241 31.700 0.038 0.000 0.949 483 G N 2.184 111.182 108.800 0.329 0.000 2.732 483 G HA2 0.176 4.136 3.960 -0.000 0.000 0.244 483 G HA3 0.176 4.136 3.960 -0.000 0.000 0.244 483 G C -2.254 172.749 174.900 0.172 0.000 1.226 483 G CA -0.754 44.520 45.100 0.290 0.000 0.860 483 G HN 0.378 nan 8.290 nan 0.000 0.583 484 P HA 0.142 nan 4.420 nan 0.000 0.269 484 P C -0.278 177.011 177.300 -0.017 0.000 1.217 484 P CA -0.077 62.928 63.100 -0.159 0.000 0.783 484 P CB 0.930 32.447 31.700 -0.304 0.000 0.898 485 C N 3.106 122.409 119.300 0.005 0.000 2.698 485 C HA 0.634 5.094 4.460 -0.000 0.000 0.309 485 C C -1.470 173.617 174.990 0.162 0.000 1.186 485 C CA -0.377 58.712 59.018 0.117 0.000 1.474 485 C CB 0.345 28.226 27.740 0.234 0.000 2.020 485 C HN 0.632 nan 8.230 nan 0.000 0.474 486 Y N 4.442 124.743 120.300 0.002 0.000 2.516 486 Y HA 0.420 4.970 4.550 -0.000 0.000 0.329 486 Y C 0.235 176.141 175.900 0.010 0.000 1.095 486 Y CA -0.379 57.719 58.100 -0.002 0.000 1.213 486 Y CB 0.017 38.477 38.460 -0.002 0.000 1.109 486 Y HN 0.902 nan 8.280 nan 0.000 0.630 487 R N 2.632 123.075 120.500 -0.096 0.000 2.481 487 R HA 0.011 4.351 4.340 -0.000 0.000 0.291 487 R C -0.624 175.604 176.300 -0.120 0.000 0.934 487 R CA 0.982 57.029 56.100 -0.088 0.000 1.116 487 R CB 0.408 30.648 30.300 -0.101 0.000 0.895 487 R HN 0.591 nan 8.270 nan 0.000 0.410 488 Q N 2.476 122.248 119.800 -0.046 0.000 2.297 488 Q HA 0.158 4.498 4.340 -0.000 0.000 0.268 488 Q C -0.880 175.084 176.000 -0.060 0.000 1.045 488 Q CA -1.162 54.621 55.803 -0.033 0.000 0.861 488 Q CB 1.860 30.620 28.738 0.037 0.000 1.344 488 Q HN 0.561 nan 8.270 nan 0.000 0.452 489 Q N 1.673 121.435 119.800 -0.062 0.000 2.314 489 Q HA 0.116 4.456 4.340 -0.000 0.000 0.258 489 Q C -0.811 175.128 176.000 -0.102 0.000 0.954 489 Q CA 0.365 56.109 55.803 -0.098 0.000 0.890 489 Q CB 0.702 29.389 28.738 -0.085 0.000 1.210 489 Q HN 0.415 nan 8.270 nan 0.000 0.410 490 R N 1.932 122.331 120.500 -0.168 0.000 2.459 490 R HA 0.631 4.971 4.340 -0.000 0.000 0.281 490 R C -1.232 174.945 176.300 -0.206 0.000 1.050 490 R CA -0.433 55.539 56.100 -0.214 0.000 1.055 490 R CB 0.908 31.008 30.300 -0.334 0.000 1.045 490 R HN 0.539 nan 8.270 nan 0.000 0.495 491 V N 1.428 121.172 119.914 -0.283 0.000 2.851 491 V HA 0.447 4.567 4.120 -0.000 0.000 0.307 491 V C -1.182 174.835 176.094 -0.129 0.000 1.129 491 V CA -0.561 61.600 62.300 -0.232 0.000 0.932 491 V CB 2.087 33.686 31.823 -0.374 0.000 1.024 491 V HN 0.861 nan 8.190 nan 0.000 0.426 492 S N 2.869 118.653 115.700 0.140 0.000 2.617 492 S HA 0.497 4.967 4.470 -0.000 0.000 0.283 492 S C 1.201 175.831 174.600 0.049 0.000 1.189 492 S CA 0.223 58.516 58.200 0.155 0.000 1.036 492 S CB 1.579 64.868 63.200 0.149 0.000 1.014 492 S HN 1.484 nan 8.310 nan 0.000 0.522 493 T N 0.319 114.857 114.554 -0.027 0.000 3.148 493 T HA 0.109 4.459 4.350 -0.000 0.000 0.253 493 T C 0.527 175.073 174.700 -0.257 0.000 1.134 493 T CA 0.217 62.181 62.100 -0.228 0.000 1.051 493 T CB -0.439 68.213 68.868 -0.359 0.000 0.959 493 T HN 0.494 nan 8.240 nan 0.000 0.525 494 T N 3.574 118.041 114.554 -0.144 0.000 3.145 494 T HA 0.270 4.620 4.350 -0.000 0.000 0.348 494 T C 1.651 176.323 174.700 -0.047 0.000 1.299 494 T CA -0.008 62.032 62.100 -0.100 0.000 1.037 494 T CB 0.726 69.538 68.868 -0.094 0.000 1.122 494 T HN 0.571 nan 8.240 nan 0.000 0.600 495 T N 0.573 115.100 114.554 -0.046 0.000 2.714 495 T HA -0.204 4.146 4.350 -0.000 0.000 0.268 495 T C 2.410 177.122 174.700 0.020 0.000 1.036 495 T CA 1.620 63.717 62.100 -0.004 0.000 1.148 495 T CB -0.730 68.134 68.868 -0.007 0.000 0.856 495 T HN 0.581 nan 8.240 nan 0.000 0.462 496 G N 1.155 109.961 108.800 0.009 0.000 2.479 496 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.220 496 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.220 496 G C 1.493 176.412 174.900 0.031 0.000 1.115 496 G CA 0.588 45.699 45.100 0.018 0.000 0.757 496 G HN 0.705 nan 8.290 nan 0.000 0.560 497 Q N 0.098 119.922 119.800 0.040 0.000 2.403 497 Q HA 0.112 4.452 4.340 -0.000 0.000 0.203 497 Q C 0.031 176.082 176.000 0.085 0.000 0.932 497 Q CA -0.154 55.689 55.803 0.067 0.000 0.945 497 Q CB 0.282 29.077 28.738 0.095 0.000 1.045 497 Q HN 0.328 nan 8.270 nan 0.000 0.511 498 N N 1.598 120.352 118.700 0.091 0.000 2.492 498 N HA 0.096 4.836 4.740 -0.000 0.000 0.289 498 N C -0.590 174.991 175.510 0.119 0.000 1.133 498 N CA -0.399 52.729 53.050 0.130 0.000 0.961 498 N CB 0.776 39.386 38.487 0.206 0.000 1.186 498 N HN 0.052 nan 8.380 nan 0.000 0.493 499 N N 0.589 119.352 118.700 0.106 0.000 2.454 499 N HA -0.099 4.641 4.740 -0.000 0.000 0.254 499 N C -0.182 175.434 175.510 0.177 0.000 1.228 499 N CA 0.075 53.169 53.050 0.073 0.000 0.900 499 N CB 0.326 38.779 38.487 -0.056 0.000 1.089 499 N HN 0.329 nan 8.380 nan 0.000 0.449 500 N N 1.777 120.542 118.700 0.108 0.000 2.807 500 N HA 0.126 4.866 4.740 -0.000 0.000 0.259 500 N C -1.613 173.966 175.510 0.116 0.000 1.149 500 N CA -0.100 53.012 53.050 0.104 0.000 1.042 500 N CB -0.730 37.793 38.487 0.060 0.000 1.367 500 N HN 0.599 nan 8.380 nan 0.000 0.516 501 S N 1.376 117.185 115.700 0.182 0.000 2.636 501 S HA 0.330 4.800 4.470 -0.000 0.000 0.268 501 S C -1.002 173.693 174.600 0.160 0.000 1.159 501 S CA -1.064 57.239 58.200 0.173 0.000 0.815 501 S CB 0.999 64.318 63.200 0.198 0.000 1.130 501 S HN 0.244 nan 8.310 nan 0.000 0.471 502 N N 1.108 119.868 118.700 0.101 0.000 2.801 502 N HA 0.440 5.180 4.740 -0.000 0.000 0.235 502 N C -0.223 175.325 175.510 0.064 0.000 1.069 502 N CA -1.112 51.935 53.050 -0.005 0.000 0.946 502 N CB -0.332 38.162 38.487 0.011 0.000 1.212 502 N HN 0.643 nan 8.380 nan 0.000 0.509 503 F N 0.659 120.635 119.950 0.042 0.000 2.695 503 F HA 0.508 5.035 4.527 -0.000 0.000 0.303 503 F C 1.643 177.472 175.800 0.048 0.000 1.091 503 F CA -0.577 57.443 58.000 0.034 0.000 1.300 503 F CB -0.468 38.528 39.000 -0.006 0.000 1.071 503 F HN 0.236 nan 8.300 nan 0.000 0.578 504 A N 1.903 124.635 122.820 -0.148 0.000 1.940 504 A HA -0.251 4.069 4.320 -0.000 0.000 0.221 504 A C 2.153 179.841 177.584 0.173 0.000 1.190 504 A CA 2.154 54.186 52.037 -0.008 0.000 0.647 504 A CB -1.446 17.542 19.000 -0.021 0.000 0.821 504 A HN 0.845 nan 8.150 nan 0.000 0.457 505 W N 0.706 122.019 121.300 0.021 0.000 2.580 505 W HA -0.104 4.556 4.660 -0.000 0.000 0.287 505 W C 2.275 178.825 176.519 0.052 0.000 1.175 505 W CA 1.833 59.198 57.345 0.033 0.000 1.409 505 W CB -0.411 29.058 29.460 0.016 0.000 1.101 505 W HN 0.486 nan 8.180 nan 0.000 0.558 506 T N -0.359 114.240 114.554 0.075 0.000 2.833 506 T HA -0.056 4.294 4.350 -0.000 0.000 0.269 506 T C 1.657 176.301 174.700 -0.093 0.000 1.054 506 T CA 1.541 63.618 62.100 -0.039 0.000 1.135 506 T CB -0.553 68.378 68.868 0.105 0.000 0.869 506 T HN 0.083 nan 8.240 nan 0.000 0.466 507 A N 0.973 123.800 122.820 0.012 0.000 2.430 507 A HA 0.658 4.978 4.320 -0.000 0.000 0.243 507 A C 1.303 178.857 177.584 -0.049 0.000 1.254 507 A CA -0.039 51.991 52.037 -0.011 0.000 0.914 507 A CB -0.456 18.582 19.000 0.064 0.000 0.998 507 A HN 0.640 nan 8.150 nan 0.000 0.515 508 G N -0.150 108.577 108.800 -0.120 0.000 2.491 508 G HA2 0.402 4.362 3.960 -0.000 0.000 0.242 508 G HA3 0.402 4.362 3.960 -0.000 0.000 0.242 508 G C -0.098 174.700 174.900 -0.171 0.000 1.266 508 G CA 0.096 45.119 45.100 -0.128 0.000 0.844 508 G HN 0.131 nan 8.290 nan 0.000 0.571 509 T N 2.506 117.013 114.554 -0.077 0.000 2.761 509 T HA 0.386 4.736 4.350 -0.000 0.000 0.296 509 T C 0.282 174.990 174.700 0.014 0.000 0.934 509 T CA 0.123 62.199 62.100 -0.041 0.000 1.091 509 T CB 0.547 69.431 68.868 0.027 0.000 0.896 509 T HN 0.558 nan 8.240 nan 0.000 0.515 510 K N 1.935 122.349 120.400 0.023 0.000 2.439 510 K HA 0.631 4.951 4.320 -0.000 0.000 0.260 510 K C -1.393 175.330 176.600 0.205 0.000 1.032 510 K CA -1.183 55.111 56.287 0.012 0.000 0.882 510 K CB 1.756 34.139 32.500 -0.195 0.000 1.420 510 K HN 0.623 nan 8.250 nan 0.000 0.455 511 Y N -1.685 118.695 120.300 0.133 0.000 2.524 511 Y HA 0.566 5.116 4.550 -0.000 0.000 0.344 511 Y C -0.934 175.073 175.900 0.178 0.000 1.012 511 Y CA -1.250 56.933 58.100 0.138 0.000 1.068 511 Y CB 1.186 39.680 38.460 0.057 0.000 1.249 511 Y HN 0.603 nan 8.280 nan 0.000 0.468 512 H N 4.053 123.313 119.070 0.317 0.000 2.595 512 H HA 0.507 5.063 4.556 -0.000 0.000 0.313 512 H C -1.631 173.844 175.328 0.245 0.000 1.023 512 H CA -1.002 55.172 56.048 0.210 0.000 1.218 512 H CB 0.782 30.620 29.762 0.127 0.000 1.403 512 H HN 0.829 nan 8.280 nan 0.000 0.477 513 L N 5.470 126.699 121.223 0.010 0.000 2.372 513 L HA 0.247 4.587 4.340 -0.000 0.000 0.274 513 L C -0.132 176.673 176.870 -0.110 0.000 0.988 513 L CA -0.486 54.363 54.840 0.016 0.000 0.833 513 L CB 0.740 42.941 42.059 0.236 0.000 1.236 513 L HN 1.015 nan 8.230 nan 0.000 0.410 514 N N 3.915 122.535 118.700 -0.134 0.000 2.699 514 N HA -0.219 4.521 4.740 -0.000 0.000 0.256 514 N C 0.899 176.340 175.510 -0.114 0.000 0.993 514 N CA 1.600 54.596 53.050 -0.091 0.000 0.759 514 N CB -0.697 37.783 38.487 -0.012 0.000 0.906 514 N HN 1.133 nan 8.380 nan 0.000 0.541 515 G N -0.849 107.804 108.800 -0.245 0.000 2.268 515 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.240 515 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.240 515 G C 0.047 174.953 174.900 0.010 0.000 1.010 515 G CA 0.563 45.625 45.100 -0.063 0.000 0.618 515 G HN 0.956 nan 8.290 nan 0.000 0.516 516 R N 0.103 120.581 120.500 -0.036 0.000 2.778 516 R HA 0.747 5.087 4.340 -0.000 0.000 0.277 516 R C -0.727 175.645 176.300 0.119 0.000 0.977 516 R CA -1.024 55.127 56.100 0.085 0.000 0.950 516 R CB 1.062 31.413 30.300 0.085 0.000 1.165 516 R HN 0.116 nan 8.270 nan 0.000 0.474 517 N N 0.565 119.389 118.700 0.206 0.000 2.405 517 N HA 0.355 5.095 4.740 -0.000 0.000 0.299 517 N C -1.049 174.510 175.510 0.082 0.000 1.075 517 N CA -0.635 52.514 53.050 0.165 0.000 0.884 517 N CB 2.191 40.807 38.487 0.214 0.000 1.194 517 N HN 0.549 nan 8.380 nan 0.000 0.491 518 S N 0.971 116.514 115.700 -0.262 0.000 2.570 518 S HA 0.393 4.863 4.470 -0.000 0.000 0.286 518 S C -0.472 173.934 174.600 -0.324 0.000 1.099 518 S CA -0.685 57.320 58.200 -0.325 0.000 0.913 518 S CB 1.757 64.510 63.200 -0.744 0.000 1.085 518 S HN 0.286 nan 8.310 nan 0.000 0.480 519 L N 2.347 123.537 121.223 -0.055 0.000 2.453 519 L HA 0.374 4.714 4.340 -0.000 0.000 0.272 519 L C 0.652 177.533 176.870 0.017 0.000 1.182 519 L CA 0.137 54.977 54.840 -0.001 0.000 0.858 519 L CB 0.234 42.362 42.059 0.114 0.000 1.120 519 L HN 0.873 nan 8.230 nan 0.000 0.474 520 A N 3.921 126.808 122.820 0.111 0.000 2.990 520 A HA 0.287 4.607 4.320 -0.000 0.000 0.282 520 A C 0.120 177.803 177.584 0.166 0.000 1.688 520 A CA -0.256 51.914 52.037 0.222 0.000 1.391 520 A CB -1.149 18.019 19.000 0.279 0.000 1.112 520 A HN 0.682 nan 8.150 nan 0.000 0.588 521 N N 2.392 121.176 118.700 0.139 0.000 2.443 521 N HA 0.449 5.189 4.740 -0.000 0.000 0.269 521 N C -1.681 173.881 175.510 0.087 0.000 0.985 521 N CA -1.783 51.331 53.050 0.107 0.000 0.921 521 N CB 1.747 40.289 38.487 0.092 0.000 1.195 521 N HN 0.198 nan 8.380 nan 0.000 0.492 522 P HA 0.235 nan 4.420 nan 0.000 0.255 522 P C 0.481 177.850 177.300 0.115 0.000 1.248 522 P CA 0.167 63.323 63.100 0.095 0.000 0.807 522 P CB -0.162 31.586 31.700 0.080 0.000 1.150 523 G N 2.103 110.971 108.800 0.113 0.000 2.750 523 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.228 523 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.228 523 G C -0.006 174.942 174.900 0.080 0.000 1.367 523 G CA -0.273 44.890 45.100 0.104 0.000 0.871 523 G HN 0.510 nan 8.290 nan 0.000 0.560 524 I N -1.122 119.478 120.570 0.050 0.000 3.003 524 I HA 0.469 4.639 4.170 -0.000 0.000 0.294 524 I C 1.018 177.173 176.117 0.063 0.000 1.237 524 I CA 0.075 61.391 61.300 0.028 0.000 1.417 524 I CB 0.340 38.323 38.000 -0.029 0.000 1.340 524 I HN 1.646 nan 8.210 nan 0.000 0.594 525 A N 7.745 130.602 122.820 0.061 0.000 2.444 525 A HA 0.570 4.890 4.320 -0.000 0.000 0.273 525 A C -0.033 177.603 177.584 0.088 0.000 1.136 525 A CA -0.149 51.945 52.037 0.096 0.000 0.799 525 A CB -0.184 18.894 19.000 0.130 0.000 1.081 525 A HN 0.803 nan 8.150 nan 0.000 0.509 526 M N 2.034 121.693 119.600 0.099 0.000 2.550 526 M HA 0.520 5.000 4.480 -0.000 0.000 0.292 526 M C 0.182 176.535 176.300 0.089 0.000 1.221 526 M CA -0.564 54.791 55.300 0.093 0.000 0.873 526 M CB 2.295 34.951 32.600 0.094 0.000 1.727 526 M HN 0.713 nan 8.290 nan 0.000 0.459 527 A N 1.130 123.989 122.820 0.066 0.000 2.546 527 A HA 0.202 4.522 4.320 -0.000 0.000 0.243 527 A C 0.989 178.606 177.584 0.055 0.000 1.063 527 A CA 0.162 52.219 52.037 0.033 0.000 0.757 527 A CB -0.181 18.816 19.000 -0.004 0.000 0.991 527 A HN 0.952 nan 8.150 nan 0.000 0.503 528 T N 2.159 116.752 114.554 0.065 0.000 2.759 528 T HA -0.049 4.301 4.350 -0.000 0.000 0.269 528 T C 0.771 175.628 174.700 0.262 0.000 1.042 528 T CA 2.134 64.345 62.100 0.186 0.000 1.140 528 T CB -0.413 68.621 68.868 0.276 0.000 0.864 528 T HN 0.963 nan 8.240 nan 0.000 0.455 529 H N -0.769 118.393 119.070 0.153 0.000 2.967 529 H HA 0.492 5.048 4.556 -0.000 0.000 0.318 529 H C -1.021 174.382 175.328 0.124 0.000 1.375 529 H CA -1.241 54.904 56.048 0.162 0.000 1.132 529 H CB 1.211 31.105 29.762 0.221 0.000 1.848 529 H HN 0.192 nan 8.280 nan 0.000 0.524 530 K N 0.424 120.966 120.400 0.236 0.000 2.399 530 K HA 0.218 4.538 4.320 -0.000 0.000 0.247 530 K C -0.659 176.086 176.600 0.241 0.000 1.036 530 K CA -0.726 55.645 56.287 0.140 0.000 0.977 530 K CB 0.485 33.049 32.500 0.105 0.000 1.272 530 K HN 0.333 nan 8.250 nan 0.000 0.501 531 D N 1.485 121.974 120.400 0.148 0.000 2.583 531 D HA -0.062 4.578 4.640 -0.000 0.000 0.232 531 D C -0.214 176.190 176.300 0.172 0.000 1.128 531 D CA 1.169 55.259 54.000 0.150 0.000 0.859 531 D CB 0.067 40.922 40.800 0.091 0.000 1.169 531 D HN 0.643 nan 8.370 nan 0.000 0.481 532 D N 1.490 121.988 120.400 0.163 0.000 3.046 532 D HA -0.205 4.435 4.640 -0.000 0.000 0.210 532 D C -0.271 176.064 176.300 0.059 0.000 1.124 532 D CA 0.880 54.938 54.000 0.098 0.000 0.986 532 D CB -0.735 40.109 40.800 0.073 0.000 1.118 532 D HN 0.655 nan 8.370 nan 0.000 0.416 533 E N 0.186 120.449 120.200 0.105 0.000 3.105 533 E HA 0.118 4.468 4.350 -0.000 0.000 0.219 533 E C 0.816 177.164 176.600 -0.421 0.000 1.064 533 E CA -0.170 56.220 56.400 -0.017 0.000 1.342 533 E CB 0.262 30.169 29.700 0.345 0.000 1.295 533 E HN 0.309 nan 8.360 nan 0.000 0.438 534 E N 0.954 120.829 120.200 -0.541 0.000 2.267 534 E HA -0.234 4.116 4.350 -0.000 0.000 0.197 534 E C 1.865 178.250 176.600 -0.359 0.000 0.998 534 E CA 0.855 56.843 56.400 -0.687 0.000 0.830 534 E CB -0.205 29.343 29.700 -0.254 0.000 0.751 534 E HN 0.328 nan 8.360 nan 0.000 0.491 535 R N 0.560 120.849 120.500 -0.352 0.000 2.276 535 R HA 0.025 4.365 4.340 -0.000 0.000 0.203 535 R C 0.362 176.544 176.300 -0.197 0.000 1.017 535 R CA 0.332 56.248 56.100 -0.306 0.000 1.010 535 R CB -0.195 29.823 30.300 -0.469 0.000 0.900 535 R HN -0.004 nan 8.270 nan 0.000 0.469 536 F N 1.535 121.499 119.950 0.022 0.000 2.397 536 F HA 0.454 4.981 4.527 -0.000 0.000 0.331 536 F C -0.149 175.799 175.800 0.247 0.000 1.090 536 F CA -1.397 56.648 58.000 0.074 0.000 1.065 536 F CB 1.317 40.338 39.000 0.036 0.000 1.184 536 F HN -0.075 nan 8.300 nan 0.000 0.499 537 F N 0.850 120.981 119.950 0.302 0.000 2.678 537 F HA 0.606 5.133 4.527 -0.000 0.000 0.308 537 F C -3.463 172.437 175.800 0.167 0.000 1.118 537 F CA -3.340 54.791 58.000 0.218 0.000 0.959 537 F CB 0.770 39.880 39.000 0.183 0.000 1.305 537 F HN 0.036 nan 8.300 nan 0.000 0.443 538 P HA 0.150 nan 4.420 nan 0.000 0.271 538 P C 0.687 178.112 177.300 0.209 0.000 1.226 538 P CA 0.234 63.427 63.100 0.155 0.000 0.765 538 P CB 1.418 33.230 31.700 0.185 0.000 0.835 539 S N 2.853 118.585 115.700 0.054 0.000 2.392 539 S HA -0.226 4.244 4.470 -0.000 0.000 0.232 539 S C 0.954 175.697 174.600 0.238 0.000 1.041 539 S CA 1.552 59.830 58.200 0.130 0.000 1.026 539 S CB -0.886 62.382 63.200 0.113 0.000 0.845 539 S HN 0.661 nan 8.310 nan 0.000 0.465 540 N N -0.182 118.628 118.700 0.183 0.000 2.622 540 N HA 0.284 5.024 4.740 -0.000 0.000 0.304 540 N C 0.196 175.798 175.510 0.153 0.000 1.844 540 N CA 0.112 53.259 53.050 0.163 0.000 0.886 540 N CB 0.687 39.250 38.487 0.127 0.000 1.366 540 N HN 0.411 nan 8.380 nan 0.000 0.491 541 G N 0.845 109.754 108.800 0.183 0.000 4.100 541 G HA2 0.403 4.362 3.960 -0.000 0.000 0.294 541 G HA3 0.403 4.362 3.960 -0.000 0.000 0.294 541 G C 0.013 175.004 174.900 0.152 0.000 1.040 541 G CA -0.285 44.910 45.100 0.160 0.000 0.829 541 G HN 0.478 nan 8.290 nan 0.000 0.505 542 I N -3.123 117.522 120.570 0.126 0.000 3.006 542 I HA 0.591 4.761 4.170 -0.000 0.000 0.306 542 I C -0.953 175.145 176.117 -0.032 0.000 1.250 542 I CA -1.472 59.872 61.300 0.072 0.000 0.996 542 I CB 1.839 39.888 38.000 0.081 0.000 1.261 542 I HN -0.292 nan 8.210 nan 0.000 0.442 543 L N 4.066 125.223 121.223 -0.110 0.000 2.371 543 L HA 0.510 4.850 4.340 -0.000 0.000 0.272 543 L C -0.560 176.062 176.870 -0.414 0.000 1.124 543 L CA -0.331 54.325 54.840 -0.307 0.000 0.816 543 L CB 1.066 42.886 42.059 -0.399 0.000 1.129 543 L HN 0.466 nan 8.230 nan 0.000 0.448 544 I N 2.510 122.774 120.570 -0.511 0.000 2.478 544 I HA 0.348 4.518 4.170 -0.000 0.000 0.287 544 I C -0.763 175.051 176.117 -0.505 0.000 1.042 544 I CA -0.291 60.771 61.300 -0.396 0.000 1.067 544 I CB 1.623 39.489 38.000 -0.223 0.000 1.233 544 I HN 0.313 nan 8.210 nan 0.000 0.431 545 F N 2.850 122.729 119.950 -0.118 0.000 2.440 545 F HA 0.731 5.258 4.527 -0.000 0.000 0.328 545 F C 1.052 176.804 175.800 -0.080 0.000 1.070 545 F CA -0.581 57.368 58.000 -0.084 0.000 1.011 545 F CB 1.522 40.474 39.000 -0.081 0.000 1.226 545 F HN 0.367 nan 8.300 nan 0.000 0.491 546 G N 0.851 109.736 108.800 0.142 0.000 2.410 546 G HA2 0.502 4.462 3.960 -0.000 0.000 0.330 546 G HA3 0.502 4.462 3.960 -0.000 0.000 0.330 546 G C -1.003 173.915 174.900 0.029 0.000 1.142 546 G CA -0.835 44.293 45.100 0.046 0.000 0.902 546 G HN 0.497 nan 8.290 nan 0.000 0.491 547 K N 0.466 120.851 120.400 -0.025 0.000 2.102 547 K HA 0.191 4.511 4.320 -0.000 0.000 0.244 547 K C 0.305 176.877 176.600 -0.046 0.000 1.021 547 K CA -0.625 55.627 56.287 -0.058 0.000 0.913 547 K CB 0.492 32.941 32.500 -0.087 0.000 1.062 547 K HN 0.304 nan 8.250 nan 0.000 0.485 548 Q N 1.993 121.750 119.800 -0.072 0.000 2.269 548 Q HA -0.163 4.177 4.340 -0.000 0.000 0.300 548 Q C 0.044 176.022 176.000 -0.037 0.000 1.070 548 Q CA 1.107 56.877 55.803 -0.055 0.000 0.957 548 Q CB -0.088 28.597 28.738 -0.088 0.000 1.131 548 Q HN 0.767 nan 8.270 nan 0.000 0.377 549 N N -0.020 118.671 118.700 -0.015 0.000 2.850 549 N HA -0.243 4.497 4.740 -0.000 0.000 0.249 549 N C -0.751 174.753 175.510 -0.011 0.000 1.060 549 N CA 0.230 53.274 53.050 -0.010 0.000 0.825 549 N CB -0.325 38.152 38.487 -0.017 0.000 1.132 549 N HN 0.634 nan 8.380 nan 0.000 0.564 550 A N 0.571 123.384 122.820 -0.011 0.000 2.462 550 A HA 0.585 4.905 4.320 -0.000 0.000 0.243 550 A C 0.955 178.538 177.584 -0.002 0.000 1.076 550 A CA 0.517 52.547 52.037 -0.012 0.000 0.773 550 A CB 0.488 19.479 19.000 -0.015 0.000 1.010 550 A HN 0.517 nan 8.150 nan 0.000 0.493 551 A N 1.552 124.370 122.820 -0.003 0.000 2.507 551 A HA 0.251 4.571 4.320 -0.000 0.000 0.235 551 A C 1.555 179.141 177.584 0.004 0.000 1.070 551 A CA 0.387 52.425 52.037 0.001 0.000 0.768 551 A CB 0.008 19.008 19.000 0.001 0.000 1.011 551 A HN 1.036 nan 8.150 nan 0.000 0.502 552 R N -0.142 120.361 120.500 0.006 0.000 2.090 552 R HA -0.059 4.281 4.340 -0.000 0.000 0.228 552 R C -0.674 175.629 176.300 0.005 0.000 1.110 552 R CA 1.338 57.443 56.100 0.008 0.000 0.973 552 R CB 0.072 30.378 30.300 0.010 0.000 0.869 552 R HN 0.828 nan 8.270 nan 0.000 0.440 553 D N 0.161 120.563 120.400 0.003 0.000 2.350 553 D HA 0.067 4.707 4.640 -0.000 0.000 0.245 553 D C -0.629 175.673 176.300 0.002 0.000 1.036 553 D CA -0.516 53.485 54.000 0.001 0.000 0.848 553 D CB 1.531 42.329 40.800 -0.002 0.000 1.307 553 D HN 0.017 nan 8.370 nan 0.000 0.469 554 N N 0.516 119.219 118.700 0.004 0.000 2.716 554 N HA -0.242 4.498 4.740 -0.000 0.000 0.250 554 N C -0.868 174.649 175.510 0.012 0.000 1.033 554 N CA 0.651 53.706 53.050 0.008 0.000 0.727 554 N CB -0.601 37.889 38.487 0.005 0.000 0.950 554 N HN 0.532 nan 8.380 nan 0.000 0.541 555 A N -0.052 122.775 122.820 0.011 0.000 2.445 555 A HA 0.215 4.535 4.320 -0.000 0.000 0.242 555 A C 0.528 178.126 177.584 0.022 0.000 1.075 555 A CA -0.027 52.015 52.037 0.009 0.000 0.777 555 A CB 0.308 19.307 19.000 -0.002 0.000 1.013 555 A HN 0.507 nan 8.150 nan 0.000 0.493 556 D N -0.115 120.299 120.400 0.023 0.000 2.357 556 D HA 0.008 4.648 4.640 -0.000 0.000 0.242 556 D C 0.847 177.188 176.300 0.068 0.000 1.153 556 D CA -0.054 53.978 54.000 0.053 0.000 0.918 556 D CB 0.423 41.249 40.800 0.044 0.000 1.181 556 D HN 0.594 nan 8.370 nan 0.000 0.435 557 Y N 1.857 122.158 120.300 0.001 0.000 2.207 557 Y HA -0.253 4.297 4.550 -0.000 0.000 0.287 557 Y C 2.302 178.194 175.900 -0.013 0.000 1.156 557 Y CA 2.327 60.425 58.100 -0.004 0.000 1.182 557 Y CB -0.329 38.140 38.460 0.014 0.000 0.979 557 Y HN 0.343 nan 8.280 nan 0.000 0.521 558 S N -1.366 114.270 115.700 -0.106 0.000 2.603 558 S HA -0.054 4.416 4.470 -0.000 0.000 0.229 558 S C 0.894 175.394 174.600 -0.168 0.000 0.972 558 S CA 0.859 58.946 58.200 -0.189 0.000 0.935 558 S CB -0.192 62.991 63.200 -0.028 0.000 0.769 558 S HN 0.517 nan 8.310 nan 0.000 0.536 559 D N 1.260 121.579 120.400 -0.136 0.000 2.398 559 D HA 0.235 4.875 4.640 -0.000 0.000 0.210 559 D C 0.755 176.990 176.300 -0.108 0.000 1.094 559 D CA 0.231 54.172 54.000 -0.097 0.000 0.839 559 D CB 1.193 41.963 40.800 -0.050 0.000 0.963 559 D HN 0.519 nan 8.370 nan 0.000 0.506 560 V N -2.447 117.366 119.914 -0.168 0.000 3.181 560 V HA 0.682 4.801 4.120 -0.000 0.000 0.314 560 V C -0.597 175.383 176.094 -0.190 0.000 1.173 560 V CA -1.058 61.159 62.300 -0.138 0.000 1.052 560 V CB 2.437 34.193 31.823 -0.111 0.000 1.123 560 V HN -0.191 nan 8.190 nan 0.000 0.454 561 M N 2.346 121.883 119.600 -0.105 0.000 2.106 561 M HA 0.530 5.010 4.480 -0.000 0.000 0.288 561 M C -1.312 174.955 176.300 -0.056 0.000 0.941 561 M CA -0.277 54.975 55.300 -0.079 0.000 0.934 561 M CB 1.848 34.452 32.600 0.007 0.000 1.551 561 M HN 0.489 nan 8.290 nan 0.000 0.437 562 L N 2.882 124.043 121.223 -0.103 0.000 2.350 562 L HA 0.515 4.855 4.340 -0.000 0.000 0.275 562 L C 0.875 177.722 176.870 -0.039 0.000 1.099 562 L CA -0.447 54.319 54.840 -0.123 0.000 0.808 562 L CB 1.149 43.084 42.059 -0.206 0.000 1.149 562 L HN 0.730 nan 8.230 nan 0.000 0.442 563 T N -0.690 113.826 114.554 -0.064 0.000 2.862 563 T HA 0.450 4.800 4.350 -0.000 0.000 0.276 563 T C -0.040 174.718 174.700 0.096 0.000 0.974 563 T CA -0.722 61.364 62.100 -0.023 0.000 0.966 563 T CB 1.933 70.632 68.868 -0.281 0.000 1.072 563 T HN 0.507 nan 8.240 nan 0.000 0.538 564 S N -0.182 115.642 115.700 0.206 0.000 2.619 564 S HA 0.348 4.818 4.470 -0.000 0.000 0.280 564 S C -0.468 174.265 174.600 0.221 0.000 1.150 564 S CA -0.689 57.645 58.200 0.223 0.000 0.978 564 S CB 1.289 64.638 63.200 0.249 0.000 1.041 564 S HN 0.671 nan 8.310 nan 0.000 0.485 565 E N 2.855 123.158 120.200 0.173 0.000 2.370 565 E HA 0.058 4.408 4.350 -0.000 0.000 0.194 565 E C 1.370 177.994 176.600 0.040 0.000 1.057 565 E CA -0.190 56.285 56.400 0.125 0.000 1.011 565 E CB 0.295 30.075 29.700 0.133 0.000 1.132 565 E HN 0.797 nan 8.360 nan 0.000 0.450 566 E N 1.678 121.879 120.200 0.001 0.000 2.171 566 E HA -0.248 4.102 4.350 -0.000 0.000 0.197 566 E C 0.538 177.094 176.600 -0.074 0.000 0.997 566 E CA 1.231 57.548 56.400 -0.138 0.000 0.810 566 E CB 0.318 29.925 29.700 -0.155 0.000 0.738 566 E HN 0.202 nan 8.360 nan 0.000 0.467 567 E N 0.728 120.907 120.200 -0.034 0.000 2.267 567 E HA -0.135 4.215 4.350 -0.000 0.000 0.197 567 E C 1.984 178.573 176.600 -0.019 0.000 0.998 567 E CA 1.446 57.822 56.400 -0.041 0.000 0.830 567 E CB -0.503 29.146 29.700 -0.084 0.000 0.751 567 E HN 0.658 nan 8.360 nan 0.000 0.491 568 I N -2.372 118.196 120.570 -0.004 0.000 3.810 568 I HA 0.146 4.316 4.170 -0.000 0.000 0.322 568 I C 0.872 177.015 176.117 0.042 0.000 1.288 568 I CA -0.045 61.276 61.300 0.035 0.000 1.143 568 I CB 0.116 38.146 38.000 0.050 0.000 1.012 568 I HN -0.139 nan 8.210 nan 0.000 0.423 569 K N 0.896 121.303 120.400 0.011 0.000 2.281 569 K HA -0.134 4.186 4.320 -0.000 0.000 0.203 569 K C 1.952 178.564 176.600 0.021 0.000 1.046 569 K CA 1.659 57.949 56.287 0.004 0.000 0.938 569 K CB -0.348 32.141 32.500 -0.018 0.000 0.737 569 K HN 0.330 nan 8.250 nan 0.000 0.458 570 T N 0.093 114.670 114.554 0.038 0.000 2.881 570 T HA -0.099 4.251 4.350 -0.000 0.000 0.270 570 T C 1.676 176.384 174.700 0.014 0.000 1.068 570 T CA 1.796 63.919 62.100 0.038 0.000 1.131 570 T CB 0.022 68.945 68.868 0.092 0.000 0.871 570 T HN 0.565 nan 8.240 nan 0.000 0.479 571 T N -3.016 111.564 114.554 0.044 0.000 3.051 571 T HA 0.282 4.632 4.350 -0.000 0.000 0.254 571 T C 0.271 175.032 174.700 0.101 0.000 0.916 571 T CA -0.554 61.573 62.100 0.046 0.000 0.894 571 T CB 0.032 68.923 68.868 0.039 0.000 1.251 571 T HN 0.090 nan 8.240 nan 0.000 0.517 572 N N 3.015 121.781 118.700 0.108 0.000 2.456 572 N HA 0.582 5.322 4.740 -0.000 0.000 0.288 572 N C -3.002 172.554 175.510 0.078 0.000 1.059 572 N CA -1.868 51.255 53.050 0.123 0.000 0.946 572 N CB 0.960 39.524 38.487 0.129 0.000 1.150 572 N HN 0.147 nan 8.380 nan 0.000 0.479 573 P HA 0.004 nan 4.420 nan 0.000 0.269 573 P C -0.401 176.928 177.300 0.047 0.000 1.215 573 P CA -0.244 62.883 63.100 0.044 0.000 0.780 573 P CB 0.559 32.316 31.700 0.095 0.000 0.898 574 V N 2.352 122.282 119.914 0.026 0.000 2.572 574 V HA 0.071 4.191 4.120 -0.000 0.000 0.291 574 V C 1.681 177.804 176.094 0.048 0.000 1.039 574 V CA 0.754 63.076 62.300 0.036 0.000 1.055 574 V CB 0.305 32.145 31.823 0.029 0.000 0.969 574 V HN 0.724 nan 8.190 nan 0.000 0.482 575 A N 4.059 126.919 122.820 0.068 0.000 2.076 575 A HA -0.126 4.194 4.320 -0.000 0.000 0.220 575 A C 1.770 179.378 177.584 0.040 0.000 1.160 575 A CA 2.040 54.121 52.037 0.073 0.000 0.653 575 A CB -0.479 18.584 19.000 0.104 0.000 0.801 575 A HN 1.001 nan 8.150 nan 0.000 0.455 576 T N -3.089 111.476 114.554 0.017 0.000 3.215 576 T HA 0.489 4.839 4.350 -0.000 0.000 0.271 576 T C 0.026 174.689 174.700 -0.061 0.000 1.012 576 T CA -0.259 61.819 62.100 -0.037 0.000 0.899 576 T CB 0.084 68.909 68.868 -0.072 0.000 1.089 576 T HN 0.488 nan 8.240 nan 0.000 0.552 577 E N 0.760 120.940 120.200 -0.033 0.000 2.450 577 E HA 0.477 4.827 4.350 -0.000 0.000 0.272 577 E C -1.074 175.515 176.600 -0.019 0.000 0.967 577 E CA -1.216 55.159 56.400 -0.041 0.000 0.818 577 E CB 1.331 31.008 29.700 -0.038 0.000 1.401 577 E HN 0.307 nan 8.360 nan 0.000 0.450 578 E N 0.129 120.316 120.200 -0.022 0.000 2.409 578 E HA -0.041 4.309 4.350 -0.000 0.000 0.257 578 E C 0.021 176.639 176.600 0.030 0.000 1.150 578 E CA 0.047 56.452 56.400 0.009 0.000 0.942 578 E CB 0.292 29.992 29.700 -0.001 0.000 0.979 578 E HN 0.512 nan 8.360 nan 0.000 0.447 579 Y N 0.170 120.461 120.300 -0.016 0.000 2.269 579 Y HA 0.190 4.740 4.550 -0.000 0.000 0.294 579 Y C 0.907 176.806 175.900 -0.002 0.000 1.120 579 Y CA 1.730 59.828 58.100 -0.003 0.000 1.159 579 Y CB 0.251 38.710 38.460 -0.001 0.000 1.024 579 Y HN 0.590 nan 8.280 nan 0.000 0.532 580 G N -0.465 108.366 108.800 0.052 0.000 2.356 580 G HA2 0.314 4.274 3.960 -0.000 0.000 0.281 580 G HA3 0.314 4.274 3.960 -0.000 0.000 0.281 580 G C -1.960 172.970 174.900 0.050 0.000 1.246 580 G CA -0.580 44.514 45.100 -0.011 0.000 0.889 580 G HN 0.013 nan 8.290 nan 0.000 0.486 581 I N 0.711 121.304 120.570 0.038 0.000 2.582 581 I HA 0.607 4.777 4.170 -0.000 0.000 0.292 581 I C -0.020 176.120 176.117 0.039 0.000 1.066 581 I CA -1.231 60.087 61.300 0.030 0.000 1.053 581 I CB 2.170 40.173 38.000 0.006 0.000 1.241 581 I HN 0.600 nan 8.210 nan 0.000 0.421 582 V N 2.027 121.961 119.914 0.033 0.000 3.074 582 V HA 0.895 5.015 4.120 -0.000 0.000 0.314 582 V C 0.111 176.215 176.094 0.017 0.000 1.117 582 V CA -0.916 61.402 62.300 0.029 0.000 1.014 582 V CB 1.633 33.474 31.823 0.030 0.000 1.057 582 V HN 0.794 nan 8.190 nan 0.000 0.438 583 A N 0.501 123.330 122.820 0.015 0.000 2.445 583 A HA 0.489 4.809 4.320 -0.000 0.000 0.242 583 A C 0.354 177.942 177.584 0.006 0.000 1.075 583 A CA 0.541 52.584 52.037 0.010 0.000 0.777 583 A CB 0.099 19.106 19.000 0.011 0.000 1.013 583 A HN 1.086 nan 8.150 nan 0.000 0.493 584 D N -0.560 119.842 120.400 0.003 0.000 2.469 584 D HA 0.123 4.763 4.640 -0.000 0.000 0.213 584 D C -0.001 176.299 176.300 -0.001 0.000 1.135 584 D CA 0.507 54.507 54.000 -0.000 0.000 0.834 584 D CB 0.148 40.946 40.800 -0.003 0.000 1.009 584 D HN 0.728 nan 8.370 nan 0.000 0.507 585 N N -0.712 117.989 118.700 0.001 0.000 3.339 585 N HA 0.128 4.868 4.740 -0.000 0.000 0.275 585 N C -1.674 173.837 175.510 0.002 0.000 1.514 585 N CA -0.625 52.425 53.050 0.000 0.000 0.879 585 N CB 0.466 38.952 38.487 -0.001 0.000 1.557 585 N HN -0.136 nan 8.380 nan 0.000 0.524 586 L N 1.352 122.576 121.223 0.002 0.000 2.277 586 L HA 0.324 4.664 4.340 -0.000 0.000 0.284 586 L C -0.012 176.859 176.870 0.002 0.000 1.028 586 L CA -0.890 53.952 54.840 0.003 0.000 0.835 586 L CB 1.065 43.126 42.059 0.003 0.000 1.215 586 L HN 0.618 nan 8.230 nan 0.000 0.425 587 Q N 3.047 122.848 119.800 0.002 0.000 2.373 587 Q HA 0.460 4.800 4.340 -0.000 0.000 0.255 587 Q C -0.854 175.146 176.000 0.001 0.000 0.980 587 Q CA 0.026 55.829 55.803 0.001 0.000 0.882 587 Q CB 1.167 29.905 28.738 -0.000 0.000 1.249 587 Q HN 0.545 nan 8.270 nan 0.000 0.438 588 Q N 0.475 120.275 119.800 -0.001 0.000 2.687 588 Q HA 0.134 4.474 4.340 -0.000 0.000 0.305 588 Q C 0.112 176.111 176.000 -0.002 0.000 1.006 588 Q CA -0.683 55.120 55.803 -0.001 0.000 0.763 588 Q CB 0.917 29.655 28.738 -0.000 0.000 1.506 588 Q HN 0.781 nan 8.270 nan 0.000 0.459 589 Q N 0.463 120.262 119.800 -0.003 0.000 2.226 589 Q HA -0.164 4.176 4.340 -0.000 0.000 0.204 589 Q C 0.881 176.879 176.000 -0.004 0.000 0.975 589 Q CA 2.288 58.089 55.803 -0.004 0.000 0.866 589 Q CB -0.214 28.522 28.738 -0.003 0.000 0.915 589 Q HN 0.625 nan 8.270 nan 0.000 0.440 590 N N -0.574 118.124 118.700 -0.003 0.000 2.280 590 N HA 0.023 4.763 4.740 -0.000 0.000 0.192 590 N C -0.648 174.860 175.510 -0.004 0.000 1.109 590 N CA 0.199 53.247 53.050 -0.004 0.000 0.855 590 N CB 0.706 39.191 38.487 -0.003 0.000 0.974 590 N HN 0.011 nan 8.380 nan 0.000 0.482 591 T N 0.831 115.383 114.554 -0.004 0.000 2.965 591 T HA 0.543 4.893 4.350 -0.000 0.000 0.306 591 T C -0.281 174.417 174.700 -0.004 0.000 0.991 591 T CA -0.593 61.505 62.100 -0.004 0.000 1.001 591 T CB 1.782 70.649 68.868 -0.003 0.000 0.984 591 T HN 0.318 nan 8.240 nan 0.000 0.446 592 A N 5.369 128.186 122.820 -0.005 0.000 2.445 592 A HA 0.609 4.929 4.320 -0.000 0.000 0.242 592 A C -2.009 175.572 177.584 -0.005 0.000 1.075 592 A CA -1.160 50.873 52.037 -0.005 0.000 0.777 592 A CB -0.252 18.744 19.000 -0.006 0.000 1.013 592 A HN 0.541 nan 8.150 nan 0.000 0.493 593 P HA 0.191 nan 4.420 nan 0.000 0.275 593 P C -0.903 176.395 177.300 -0.003 0.000 1.228 593 P CA 0.089 63.188 63.100 -0.003 0.000 0.786 593 P CB 0.789 32.488 31.700 -0.002 0.000 0.927 594 Q N 1.139 120.938 119.800 -0.003 0.000 2.387 594 Q HA 0.677 5.017 4.340 -0.000 0.000 0.273 594 Q C -0.175 175.823 176.000 -0.003 0.000 1.089 594 Q CA -0.966 54.835 55.803 -0.004 0.000 0.824 594 Q CB 2.260 30.995 28.738 -0.005 0.000 1.367 594 Q HN 0.496 nan 8.270 nan 0.000 0.443 595 I N -2.550 118.018 120.570 -0.004 0.000 2.892 595 I HA 0.926 5.096 4.170 -0.000 0.000 0.306 595 I C -0.456 175.659 176.117 -0.004 0.000 1.078 595 I CA -1.060 60.239 61.300 -0.002 0.000 1.032 595 I CB 2.276 40.275 38.000 -0.002 0.000 1.229 595 I HN 0.573 nan 8.210 nan 0.000 0.435 596 G N 1.729 110.528 108.800 -0.001 0.000 2.566 596 G HA2 0.559 4.519 3.960 -0.000 0.000 0.311 596 G HA3 0.559 4.519 3.960 -0.000 0.000 0.311 596 G C -0.962 173.939 174.900 0.002 0.000 1.322 596 G CA -0.511 44.587 45.100 -0.003 0.000 0.969 596 G HN 0.633 nan 8.290 nan 0.000 0.490 597 T N 1.309 115.861 114.554 -0.005 0.000 2.817 597 T HA 0.355 4.705 4.350 -0.000 0.000 0.293 597 T C 0.348 175.053 174.700 0.008 0.000 0.964 597 T CA -0.064 62.036 62.100 -0.000 0.000 1.085 597 T CB 1.248 70.106 68.868 -0.016 0.000 0.921 597 T HN 0.288 nan 8.240 nan 0.000 0.502 598 V N 5.346 125.282 119.914 0.037 0.000 2.364 598 V HA 0.276 4.396 4.120 -0.000 0.000 0.272 598 V C 0.831 176.957 176.094 0.053 0.000 1.036 598 V CA -0.584 61.747 62.300 0.051 0.000 0.880 598 V CB 0.983 32.871 31.823 0.108 0.000 0.991 598 V HN 0.830 nan 8.190 nan 0.000 0.460 599 N N 2.190 120.892 118.700 0.003 0.000 2.197 599 N HA 0.059 4.799 4.740 -0.000 0.000 0.201 599 N C 0.451 175.935 175.510 -0.043 0.000 1.148 599 N CA 0.214 53.250 53.050 -0.023 0.000 0.883 599 N CB 1.264 39.706 38.487 -0.075 0.000 1.012 599 N HN 0.620 nan 8.380 nan 0.000 0.507 600 S N 0.797 116.481 115.700 -0.027 0.000 2.779 600 S HA 0.371 4.841 4.470 -0.000 0.000 0.293 600 S C -1.408 173.176 174.600 -0.027 0.000 1.150 600 S CA -0.490 57.712 58.200 0.002 0.000 1.057 600 S CB 1.377 64.580 63.200 0.005 0.000 1.021 600 S HN -0.017 nan 8.310 nan 0.000 0.485 601 Q N 3.502 123.257 119.800 -0.075 0.000 2.303 601 Q HA 0.633 4.973 4.340 -0.000 0.000 0.267 601 Q C 0.019 175.870 176.000 -0.248 0.000 1.011 601 Q CA -0.216 55.433 55.803 -0.256 0.000 0.740 601 Q CB 1.447 29.793 28.738 -0.653 0.000 1.250 601 Q HN 0.864 nan 8.270 nan 0.000 0.458 602 G N 1.908 110.586 108.800 -0.204 0.000 2.580 602 G HA2 0.563 4.523 3.960 -0.000 0.000 0.278 602 G HA3 0.563 4.523 3.960 -0.000 0.000 0.278 602 G C -0.543 174.211 174.900 -0.243 0.000 1.212 602 G CA -0.268 44.703 45.100 -0.214 0.000 0.939 602 G HN 0.877 nan 8.290 nan 0.000 0.513 603 A N -0.822 121.835 122.820 -0.272 0.000 2.598 603 A HA 0.338 4.658 4.320 -0.000 0.000 0.239 603 A C -0.360 177.161 177.584 -0.104 0.000 1.032 603 A CA 0.528 52.454 52.037 -0.185 0.000 0.760 603 A CB -0.092 18.704 19.000 -0.340 0.000 0.946 603 A HN 0.521 nan 8.150 nan 0.000 0.512 604 L N 4.417 125.639 121.223 -0.002 0.000 2.408 604 L HA 0.525 4.865 4.340 -0.000 0.000 0.268 604 L C -2.278 174.664 176.870 0.120 0.000 0.986 604 L CA -1.893 52.963 54.840 0.027 0.000 0.820 604 L CB 1.838 43.899 42.059 0.003 0.000 1.303 604 L HN 0.401 nan 8.230 nan 0.000 0.411 605 P HA 0.290 nan 4.420 nan 0.000 0.261 605 P C 0.592 178.003 177.300 0.185 0.000 1.183 605 P CA 0.943 64.129 63.100 0.143 0.000 0.761 605 P CB 0.577 32.334 31.700 0.095 0.000 0.785 606 G N 2.059 111.022 108.800 0.272 0.000 2.195 606 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.224 606 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.224 606 G C 0.204 175.374 174.900 0.451 0.000 0.990 606 G CA -0.418 44.921 45.100 0.399 0.000 0.639 606 G HN 0.437 nan 8.290 nan 0.000 0.514 607 M N 0.914 120.731 119.600 0.362 0.000 2.242 607 M HA 0.534 5.014 4.480 -0.000 0.000 0.344 607 M C 0.631 177.130 176.300 0.332 0.000 1.140 607 M CA -0.171 55.362 55.300 0.389 0.000 1.160 607 M CB 1.531 34.391 32.600 0.434 0.000 1.491 607 M HN 0.596 nan 8.290 nan 0.000 0.459 608 V N 0.327 120.402 119.914 0.268 0.000 2.841 608 V HA 0.930 5.050 4.120 -0.000 0.000 0.310 608 V C -1.707 174.502 176.094 0.191 0.000 1.090 608 V CA -0.605 61.684 62.300 -0.017 0.000 0.930 608 V CB 1.617 33.296 31.823 -0.240 0.000 1.014 608 V HN 1.128 nan 8.190 nan 0.000 0.425 609 W N 2.077 123.326 121.300 -0.085 0.000 2.959 609 W HA 0.876 5.536 4.660 -0.000 0.000 0.358 609 W C -1.369 175.117 176.519 -0.055 0.000 1.228 609 W CA -0.810 56.501 57.345 -0.057 0.000 1.183 609 W CB 1.426 30.853 29.460 -0.055 0.000 1.467 609 W HN 0.752 nan 8.180 nan 0.000 0.578 610 Q N 1.395 121.337 119.800 0.237 0.000 2.351 610 Q HA 0.479 4.819 4.340 -0.000 0.000 0.273 610 Q C -0.488 175.659 176.000 0.245 0.000 1.077 610 Q CA -0.626 55.239 55.803 0.105 0.000 0.843 610 Q CB 1.558 30.323 28.738 0.046 0.000 1.367 610 Q HN 0.426 nan 8.270 nan 0.000 0.449 611 N N 0.591 119.380 118.700 0.147 0.000 2.447 611 N HA 0.327 5.067 4.740 -0.000 0.000 0.271 611 N C -0.632 174.956 175.510 0.130 0.000 1.226 611 N CA -0.540 52.630 53.050 0.199 0.000 0.980 611 N CB 0.617 39.214 38.487 0.183 0.000 1.206 611 N HN 0.457 nan 8.380 nan 0.000 0.558 612 R N 0.478 121.069 120.500 0.152 0.000 2.643 612 R HA -0.009 4.331 4.340 -0.000 0.000 0.270 612 R C -0.179 176.217 176.300 0.160 0.000 1.061 612 R CA -0.176 56.017 56.100 0.156 0.000 1.107 612 R CB 0.333 30.739 30.300 0.177 0.000 0.999 612 R HN 0.473 nan 8.270 nan 0.000 0.460 613 D N 1.410 121.887 120.400 0.129 0.000 2.384 613 D HA 0.146 4.786 4.640 -0.000 0.000 0.244 613 D C -0.610 175.643 176.300 -0.078 0.000 1.251 613 D CA -0.182 53.842 54.000 0.040 0.000 0.961 613 D CB 1.097 41.810 40.800 -0.146 0.000 1.116 613 D HN 0.251 nan 8.370 nan 0.000 0.484 614 V N -0.840 118.889 119.914 -0.309 0.000 2.881 614 V HA 0.678 4.797 4.120 -0.000 0.000 0.316 614 V C -1.062 174.804 176.094 -0.382 0.000 1.070 614 V CA -0.671 61.515 62.300 -0.191 0.000 0.976 614 V CB 1.247 32.928 31.823 -0.235 0.000 1.038 614 V HN 0.463 nan 8.190 nan 0.000 0.446 615 Y N 1.109 121.491 120.300 0.137 0.000 2.545 615 Y HA 0.589 5.139 4.550 -0.000 0.000 0.348 615 Y C 0.659 176.299 175.900 -0.434 0.000 1.002 615 Y CA -0.803 57.292 58.100 -0.008 0.000 1.039 615 Y CB 1.831 40.308 38.460 0.028 0.000 1.271 615 Y HN 0.642 nan 8.280 nan 0.000 0.467 616 L N 1.586 122.305 121.223 -0.840 0.000 2.051 616 L HA -0.242 4.098 4.340 -0.000 0.000 0.214 616 L C 1.843 178.339 176.870 -0.622 0.000 1.076 616 L CA 2.136 56.125 54.840 -1.419 0.000 0.758 616 L CB -0.417 40.846 42.059 -1.328 0.000 0.890 616 L HN 0.819 nan 8.230 nan 0.000 0.433 617 Q N -0.862 118.634 119.800 -0.506 0.000 2.204 617 Q HA 0.287 4.627 4.340 -0.000 0.000 0.209 617 Q C 0.625 176.417 176.000 -0.346 0.000 0.861 617 Q CA 0.413 55.845 55.803 -0.619 0.000 0.971 617 Q CB -0.360 28.043 28.738 -0.558 0.000 1.095 617 Q HN 0.430 nan 8.270 nan 0.000 0.486 618 G N 2.450 111.248 108.800 -0.002 0.000 2.511 618 G HA2 0.508 4.468 3.960 -0.000 0.000 0.316 618 G HA3 0.508 4.468 3.960 -0.000 0.000 0.316 618 G C -2.668 172.373 174.900 0.236 0.000 1.210 618 G CA -1.444 43.862 45.100 0.344 0.000 0.969 618 G HN 0.060 nan 8.290 nan 0.000 0.492 619 P HA 0.210 nan 4.420 nan 0.000 0.274 619 P C 0.373 177.705 177.300 0.054 0.000 1.237 619 P CA -0.209 62.908 63.100 0.028 0.000 0.793 619 P CB 1.798 33.501 31.700 0.004 0.000 0.977 620 I N -0.787 119.678 120.570 -0.176 0.000 2.899 620 I HA 0.152 4.322 4.170 -0.000 0.000 0.257 620 I C 0.813 177.187 176.117 0.429 0.000 1.115 620 I CA 0.772 62.038 61.300 -0.057 0.000 1.451 620 I CB -0.168 37.771 38.000 -0.101 0.000 1.251 620 I HN 0.470 nan 8.210 nan 0.000 0.456 621 W N 0.851 122.321 121.300 0.283 0.000 3.040 621 W HA 0.815 5.475 4.660 -0.000 0.000 0.344 621 W C -1.429 175.230 176.519 0.232 0.000 1.201 621 W CA -1.316 56.221 57.345 0.320 0.000 1.119 621 W CB 0.777 30.454 29.460 0.361 0.000 1.478 621 W HN -0.114 nan 8.180 nan 0.000 0.586 622 A N 1.455 124.585 122.820 0.517 0.000 2.574 622 A HA 0.581 4.901 4.320 -0.000 0.000 0.297 622 A C -1.571 176.215 177.584 0.337 0.000 1.062 622 A CA -1.182 51.073 52.037 0.363 0.000 0.686 622 A CB 1.726 20.840 19.000 0.189 0.000 1.285 622 A HN 0.743 nan 8.150 nan 0.000 0.403 623 K N 2.434 122.948 120.400 0.190 0.000 2.297 623 K HA 0.485 4.805 4.320 -0.000 0.000 0.286 623 K C -0.695 175.866 176.600 -0.065 0.000 1.053 623 K CA -0.309 55.902 56.287 -0.127 0.000 0.940 623 K CB 0.233 32.368 32.500 -0.609 0.000 1.019 623 K HN 0.595 nan 8.250 nan 0.000 0.475 624 I N 6.949 127.459 120.570 -0.099 0.000 2.618 624 I HA 0.052 4.221 4.170 -0.000 0.000 0.284 624 I C -1.829 174.238 176.117 -0.084 0.000 1.146 624 I CA -1.994 59.263 61.300 -0.073 0.000 1.425 624 I CB 0.672 38.614 38.000 -0.097 0.000 1.383 624 I HN 0.539 nan 8.210 nan 0.000 0.562 625 P HA -0.050 nan 4.420 nan 0.000 0.266 625 P C -0.687 176.604 177.300 -0.015 0.000 1.195 625 P CA 0.029 63.126 63.100 -0.004 0.000 0.768 625 P CB 0.265 31.973 31.700 0.014 0.000 0.838 626 H N 2.255 121.294 119.070 -0.053 0.000 3.205 626 H HA 0.323 4.879 4.556 -0.000 0.000 0.262 626 H C 0.013 175.331 175.328 -0.017 0.000 1.333 626 H CA 0.354 56.374 56.048 -0.047 0.000 1.499 626 H CB -0.491 29.250 29.762 -0.036 0.000 1.609 626 H HN 0.334 nan 8.280 nan 0.000 0.498 627 T N 0.318 114.762 114.554 -0.182 0.000 2.883 627 T HA 0.153 4.503 4.350 -0.000 0.000 0.296 627 T C 0.712 175.333 174.700 -0.132 0.000 1.117 627 T CA -0.991 61.056 62.100 -0.088 0.000 1.006 627 T CB 1.472 70.320 68.868 -0.033 0.000 1.191 627 T HN 0.272 nan 8.240 nan 0.000 0.508 628 D N 0.843 121.206 120.400 -0.061 0.000 2.117 628 D HA 0.171 4.811 4.640 -0.000 0.000 0.197 628 D C 1.122 177.396 176.300 -0.043 0.000 0.987 628 D CA 1.859 55.829 54.000 -0.049 0.000 0.829 628 D CB -0.355 40.437 40.800 -0.014 0.000 0.961 628 D HN 0.877 nan 8.370 nan 0.000 0.460 629 G N -0.855 107.929 108.800 -0.028 0.000 2.725 629 G HA2 0.543 4.503 3.960 -0.000 0.000 0.288 629 G HA3 0.543 4.503 3.960 -0.000 0.000 0.288 629 G C -1.260 173.646 174.900 0.009 0.000 1.399 629 G CA -0.535 44.563 45.100 -0.004 0.000 0.859 629 G HN 0.290 nan 8.290 nan 0.000 0.479 630 N N -2.388 116.342 118.700 0.051 0.000 3.355 630 N HA 0.574 5.314 4.740 -0.000 0.000 0.238 630 N C -2.176 173.462 175.510 0.214 0.000 1.466 630 N CA -0.848 52.255 53.050 0.089 0.000 0.882 630 N CB 1.338 39.848 38.487 0.038 0.000 1.406 630 N HN 0.621 nan 8.380 nan 0.000 0.500 631 F N 0.317 120.285 119.950 0.030 0.000 2.562 631 F HA 0.457 4.984 4.527 -0.000 0.000 0.319 631 F C -0.213 175.694 175.800 0.178 0.000 1.154 631 F CA -0.233 57.820 58.000 0.089 0.000 0.931 631 F CB 0.926 39.955 39.000 0.049 0.000 1.198 631 F HN 0.876 nan 8.300 nan 0.000 0.444 632 H N 5.214 124.047 119.070 -0.394 0.000 2.499 632 H HA -0.123 4.433 4.556 -0.000 0.000 0.321 632 H C -2.191 173.101 175.328 -0.061 0.000 1.026 632 H CA 0.184 56.085 56.048 -0.245 0.000 1.077 632 H CB -0.496 29.112 29.762 -0.257 0.000 1.612 632 H HN 0.429 nan 8.280 nan 0.000 0.374 633 P HA -0.045 nan 4.420 nan 0.000 0.310 633 P C -0.280 176.982 177.300 -0.064 0.000 1.512 633 P CA 0.739 63.801 63.100 -0.063 0.000 0.753 633 P CB 0.191 31.855 31.700 -0.060 0.000 1.608 634 S N 1.420 117.065 115.700 -0.092 0.000 2.448 634 S HA 0.308 4.778 4.470 -0.000 0.000 0.279 634 S C -2.277 172.358 174.600 0.058 0.000 1.195 634 S CA -1.705 56.481 58.200 -0.023 0.000 1.051 634 S CB -0.277 62.918 63.200 -0.009 0.000 0.948 634 S HN -0.055 nan 8.310 nan 0.000 0.493 635 P HA 0.038 nan 4.420 nan 0.000 0.261 635 P C 0.766 178.121 177.300 0.091 0.000 1.183 635 P CA 0.083 63.235 63.100 0.086 0.000 0.761 635 P CB 0.337 32.102 31.700 0.110 0.000 0.785 636 L N 2.429 123.702 121.223 0.084 0.000 2.127 636 L HA -0.170 4.170 4.340 -0.000 0.000 0.211 636 L C 2.059 178.988 176.870 0.097 0.000 1.089 636 L CA 1.573 56.468 54.840 0.090 0.000 0.757 636 L CB -0.535 41.569 42.059 0.075 0.000 0.899 636 L HN 0.491 nan 8.230 nan 0.000 0.434 637 M N -0.604 119.048 119.600 0.088 0.000 2.630 637 M HA 0.099 4.579 4.480 -0.000 0.000 0.254 637 M C 0.769 177.149 176.300 0.133 0.000 1.092 637 M CA 0.619 55.972 55.300 0.088 0.000 1.087 637 M CB -0.211 32.422 32.600 0.054 0.000 1.453 637 M HN 0.368 nan 8.290 nan 0.000 0.509 638 G N -0.255 108.623 108.800 0.130 0.000 2.640 638 G HA2 0.312 4.272 3.960 -0.000 0.000 0.686 638 G HA3 0.312 4.272 3.960 -0.000 0.000 0.686 638 G C -0.393 174.578 174.900 0.119 0.000 1.229 638 G CA -0.636 44.548 45.100 0.139 0.000 0.796 638 G HN 0.736 nan 8.290 nan 0.000 0.654 639 G N -0.597 108.221 108.800 0.029 0.000 2.352 639 G HA2 0.469 4.429 3.960 -0.000 0.000 0.324 639 G HA3 0.469 4.429 3.960 -0.000 0.000 0.324 639 G C -0.669 174.139 174.900 -0.152 0.000 1.249 639 G CA -0.066 45.029 45.100 -0.009 0.000 1.053 639 G HN 1.662 nan 8.290 nan 0.000 0.492 640 F N 1.425 121.542 119.950 0.278 0.000 2.420 640 F HA 0.608 5.135 4.527 -0.000 0.000 0.342 640 F C 1.096 177.034 175.800 0.229 0.000 1.113 640 F CA 0.110 58.250 58.000 0.234 0.000 1.059 640 F CB 2.071 41.225 39.000 0.257 0.000 1.128 640 F HN 0.736 nan 8.300 nan 0.000 0.475 641 G N 4.434 113.401 108.800 0.279 0.000 2.320 641 G HA2 0.613 4.573 3.960 -0.000 0.000 0.300 641 G HA3 0.613 4.573 3.960 -0.000 0.000 0.300 641 G C -1.070 173.917 174.900 0.146 0.000 1.126 641 G CA -0.524 44.683 45.100 0.179 0.000 0.896 641 G HN 0.581 nan 8.290 nan 0.000 0.436 642 L N 2.122 123.415 121.223 0.116 0.000 2.365 642 L HA 0.417 4.757 4.340 -0.000 0.000 0.273 642 L C 0.992 177.764 176.870 -0.163 0.000 1.000 642 L CA -0.982 53.869 54.840 0.018 0.000 0.819 642 L CB 2.537 44.639 42.059 0.072 0.000 1.284 642 L HN 0.525 nan 8.230 nan 0.000 0.418 643 K N 0.460 120.693 120.400 -0.280 0.000 2.155 643 K HA 0.047 4.367 4.320 -0.000 0.000 0.203 643 K C 0.025 176.073 176.600 -0.919 0.000 1.052 643 K CA 0.885 56.830 56.287 -0.569 0.000 0.948 643 K CB 0.115 32.222 32.500 -0.655 0.000 0.728 643 K HN 0.497 nan 8.250 nan 0.000 0.448 644 H N 0.538 119.458 119.070 -0.251 0.000 2.380 644 H HA 0.236 4.792 4.556 -0.000 0.000 0.231 644 H C -2.500 172.792 175.328 -0.059 0.000 1.415 644 H CA -2.313 53.557 56.048 -0.297 0.000 1.433 644 H CB 0.519 30.260 29.762 -0.035 0.000 1.544 644 H HN 0.121 nan 8.280 nan 0.000 0.503 645 P HA 0.148 nan 4.420 nan 0.000 0.275 645 P C -2.727 174.379 177.300 -0.323 0.000 1.266 645 P CA -1.670 61.294 63.100 -0.227 0.000 0.793 645 P CB 0.395 31.951 31.700 -0.241 0.000 1.074 646 P HA 0.062 nan 4.420 nan 0.000 0.264 646 P C -1.959 175.151 177.300 -0.317 0.000 1.183 646 P CA -0.289 62.092 63.100 -1.198 0.000 0.763 646 P CB -1.022 29.996 31.700 -1.136 0.000 0.807 647 P HA 0.020 nan 4.420 nan 0.000 0.272 647 P C -0.583 176.614 177.300 -0.170 0.000 1.230 647 P CA -0.003 62.985 63.100 -0.187 0.000 0.788 647 P CB 0.709 32.161 31.700 -0.412 0.000 0.949 648 Q N 1.083 120.766 119.800 -0.194 0.000 2.332 648 Q HA 0.324 4.664 4.340 -0.000 0.000 0.263 648 Q C -0.106 175.625 176.000 -0.450 0.000 0.979 648 Q CA -0.032 55.566 55.803 -0.341 0.000 0.885 648 Q CB 0.450 28.903 28.738 -0.476 0.000 1.218 648 Q HN 0.436 nan 8.270 nan 0.000 0.405 649 I N 4.106 124.464 120.570 -0.353 0.000 2.359 649 I HA 0.224 4.394 4.170 -0.000 0.000 0.284 649 I C -0.738 175.200 176.117 -0.299 0.000 1.018 649 I CA -0.473 60.613 61.300 -0.357 0.000 1.173 649 I CB 0.573 38.428 38.000 -0.242 0.000 1.326 649 I HN 0.321 nan 8.210 nan 0.000 0.462 650 L N 7.216 128.054 121.223 -0.642 0.000 2.325 650 L HA 0.603 4.943 4.340 -0.000 0.000 0.279 650 L C -0.296 176.537 176.870 -0.063 0.000 1.054 650 L CA -0.270 54.271 54.840 -0.499 0.000 0.804 650 L CB 1.751 43.120 42.059 -1.150 0.000 1.200 650 L HN 0.542 nan 8.230 nan 0.000 0.436 651 I N 2.666 123.365 120.570 0.215 0.000 2.769 651 I HA 0.535 4.705 4.170 -0.000 0.000 0.298 651 I C -1.290 174.860 176.117 0.055 0.000 1.128 651 I CA -0.510 60.892 61.300 0.171 0.000 1.031 651 I CB 1.947 39.951 38.000 0.007 0.000 1.235 651 I HN 0.663 nan 8.210 nan 0.000 0.423 652 K N 4.886 125.148 120.400 -0.230 0.000 2.557 652 K HA 0.384 4.704 4.320 -0.000 0.000 0.261 652 K C -1.633 174.777 176.600 -0.317 0.000 0.932 652 K CA -0.677 55.320 56.287 -0.483 0.000 0.829 652 K CB 1.873 33.549 32.500 -1.373 0.000 1.358 652 K HN 0.731 nan 8.250 nan 0.000 0.430 653 N N 1.241 119.816 118.700 -0.208 0.000 2.488 653 N HA 0.130 4.870 4.740 -0.000 0.000 0.274 653 N C -0.946 174.488 175.510 -0.127 0.000 1.111 653 N CA -0.174 52.814 53.050 -0.103 0.000 0.974 653 N CB 1.139 39.603 38.487 -0.038 0.000 1.089 653 N HN 0.380 nan 8.380 nan 0.000 0.465 654 T N 3.336 117.832 114.554 -0.097 0.000 2.916 654 T HA 0.129 4.479 4.350 -0.000 0.000 0.303 654 T C -2.196 172.438 174.700 -0.111 0.000 1.025 654 T CA -0.799 61.241 62.100 -0.099 0.000 1.142 654 T CB 0.557 69.398 68.868 -0.044 0.000 0.947 654 T HN 0.302 nan 8.240 nan 0.000 0.544 655 P HA 0.250 nan 4.420 nan 0.000 0.268 655 P C -1.073 176.165 177.300 -0.104 0.000 1.204 655 P CA -0.339 62.467 63.100 -0.490 0.000 0.768 655 P CB 0.463 31.664 31.700 -0.831 0.000 0.842 656 V N 6.020 125.956 119.914 0.036 0.000 2.349 656 V HA 0.272 4.392 4.120 -0.000 0.000 0.284 656 V C -2.202 174.025 176.094 0.221 0.000 1.014 656 V CA -2.131 60.242 62.300 0.122 0.000 0.826 656 V CB 1.401 33.267 31.823 0.070 0.000 1.009 656 V HN 0.462 nan 8.190 nan 0.000 0.431 657 P HA 0.104 nan 4.420 nan 0.000 0.264 657 P C 0.013 177.273 177.300 -0.067 0.000 1.183 657 P CA 0.605 63.665 63.100 -0.066 0.000 0.763 657 P CB 0.624 32.263 31.700 -0.101 0.000 0.807 658 A N 3.505 126.242 122.820 -0.138 0.000 2.272 658 A HA 0.292 4.612 4.320 -0.000 0.000 0.275 658 A C 0.092 177.623 177.584 -0.089 0.000 1.096 658 A CA -0.587 51.406 52.037 -0.073 0.000 0.822 658 A CB -0.045 18.920 19.000 -0.058 0.000 1.088 658 A HN 0.643 nan 8.150 nan 0.000 0.495 659 D N 0.996 121.364 120.400 -0.053 0.000 2.629 659 D HA 0.106 4.746 4.640 -0.000 0.000 0.228 659 D C -2.217 174.041 176.300 -0.070 0.000 1.127 659 D CA -0.218 53.753 54.000 -0.048 0.000 0.855 659 D CB -0.176 40.607 40.800 -0.029 0.000 1.180 659 D HN 0.297 nan 8.370 nan 0.000 0.484 660 P HA 0.381 nan 4.420 nan 0.000 0.284 660 P C -2.356 174.915 177.300 -0.048 0.000 1.287 660 P CA -1.312 61.745 63.100 -0.070 0.000 0.824 660 P CB 0.078 31.744 31.700 -0.056 0.000 1.180 661 P HA 0.084 nan 4.420 nan 0.000 0.271 661 P C 0.577 177.868 177.300 -0.015 0.000 1.244 661 P CA 0.073 63.150 63.100 -0.039 0.000 0.793 661 P CB 0.224 31.890 31.700 -0.058 0.000 0.984 662 T N -1.285 113.266 114.554 -0.005 0.000 3.081 662 T HA 0.067 4.417 4.350 -0.000 0.000 0.255 662 T C 0.738 175.455 174.700 0.030 0.000 1.113 662 T CA 0.921 63.028 62.100 0.012 0.000 1.082 662 T CB -0.271 68.601 68.868 0.007 0.000 0.939 662 T HN 0.758 nan 8.240 nan 0.000 0.506 663 T N -0.501 114.070 114.554 0.028 0.000 2.861 663 T HA 0.563 4.913 4.350 -0.000 0.000 0.287 663 T C -0.491 174.251 174.700 0.071 0.000 1.003 663 T CA -0.936 61.200 62.100 0.061 0.000 0.977 663 T CB 0.862 69.756 68.868 0.043 0.000 0.996 663 T HN 0.042 nan 8.240 nan 0.000 0.448 664 F N 3.969 123.916 119.950 -0.005 0.000 2.635 664 F HA 0.398 4.925 4.527 -0.000 0.000 0.379 664 F C 0.260 176.058 175.800 -0.003 0.000 1.094 664 F CA 0.593 58.591 58.000 -0.004 0.000 1.300 664 F CB 0.289 39.288 39.000 -0.001 0.000 1.035 664 F HN 0.889 nan 8.300 nan 0.000 0.581 665 N N 4.337 122.270 118.700 -1.278 0.000 2.425 665 N HA 0.135 4.875 4.740 -0.000 0.000 0.289 665 N C 0.100 174.941 175.510 -1.114 0.000 1.074 665 N CA -0.548 51.916 53.050 -0.977 0.000 0.905 665 N CB 1.564 39.804 38.487 -0.411 0.000 1.586 665 N HN 0.764 nan 8.380 nan 0.000 0.490 666 Q N 1.107 120.465 119.800 -0.737 0.000 2.096 666 Q HA -0.097 4.243 4.340 -0.000 0.000 0.208 666 Q C -0.203 175.707 176.000 -0.151 0.000 0.993 666 Q CA 1.325 56.968 55.803 -0.266 0.000 0.862 666 Q CB -0.083 28.614 28.738 -0.068 0.000 0.915 666 Q HN 0.741 nan 8.270 nan 0.000 0.416 667 S N 1.784 117.394 115.700 -0.149 0.000 2.561 667 S HA -0.061 4.409 4.470 -0.000 0.000 0.294 667 S C -0.171 174.398 174.600 -0.052 0.000 1.294 667 S CA 0.105 58.260 58.200 -0.075 0.000 1.055 667 S CB 0.345 63.500 63.200 -0.076 0.000 0.819 667 S HN 0.273 nan 8.310 nan 0.000 0.503 668 K N 2.336 122.740 120.400 0.006 0.000 2.355 668 K HA 0.204 4.524 4.320 -0.000 0.000 0.270 668 K C -0.342 176.268 176.600 0.016 0.000 1.003 668 K CA -0.748 55.564 56.287 0.043 0.000 0.957 668 K CB 0.228 32.788 32.500 0.099 0.000 0.939 668 K HN 0.229 nan 8.250 nan 0.000 0.482 669 L N 2.720 123.939 121.223 -0.006 0.000 2.483 669 L HA -0.034 4.306 4.340 -0.000 0.000 0.275 669 L C 1.067 177.872 176.870 -0.108 0.000 1.220 669 L CA 0.674 55.425 54.840 -0.148 0.000 0.833 669 L CB -0.030 41.844 42.059 -0.308 0.000 1.102 669 L HN 1.139 nan 8.230 nan 0.000 0.490 670 N N -1.527 117.046 118.700 -0.212 0.000 2.116 670 N HA -0.016 4.724 4.740 -0.000 0.000 0.230 670 N C -0.118 175.338 175.510 -0.090 0.000 1.326 670 N CA -0.281 52.788 53.050 0.030 0.000 0.867 670 N CB 0.739 39.281 38.487 0.091 0.000 1.174 670 N HN 0.410 nan 8.380 nan 0.000 0.506 671 S N 0.699 116.117 115.700 -0.470 0.000 2.520 671 S HA 0.524 4.994 4.470 -0.000 0.000 0.324 671 S C -1.332 172.922 174.600 -0.576 0.000 1.069 671 S CA -0.584 57.425 58.200 -0.318 0.000 1.121 671 S CB -0.065 63.013 63.200 -0.203 0.000 0.971 671 S HN 0.247 nan 8.310 nan 0.000 0.463 672 F N 3.071 123.047 119.950 0.044 0.000 2.579 672 F HA 0.574 5.101 4.527 -0.000 0.000 0.324 672 F C 0.478 176.310 175.800 0.053 0.000 1.058 672 F CA -1.185 56.834 58.000 0.031 0.000 0.944 672 F CB 1.057 40.072 39.000 0.025 0.000 1.245 672 F HN 0.332 nan 8.300 nan 0.000 0.477 673 I N 1.378 122.084 120.570 0.226 0.000 2.648 673 I HA 0.053 4.223 4.170 -0.000 0.000 0.284 673 I C 0.178 176.399 176.117 0.173 0.000 1.153 673 I CA 0.193 61.579 61.300 0.143 0.000 1.426 673 I CB 0.675 38.732 38.000 0.094 0.000 1.381 673 I HN 0.543 nan 8.210 nan 0.000 0.571 674 T N 7.480 122.111 114.554 0.127 0.000 2.737 674 T HA 0.295 4.645 4.350 -0.000 0.000 0.296 674 T C -0.212 174.553 174.700 0.109 0.000 0.922 674 T CA -0.405 61.766 62.100 0.119 0.000 1.079 674 T CB 0.263 69.184 68.868 0.089 0.000 0.892 674 T HN 0.613 nan 8.240 nan 0.000 0.514 675 Q N 2.215 122.084 119.800 0.114 0.000 2.590 675 Q HA 0.697 5.037 4.340 -0.000 0.000 0.295 675 Q C -1.587 174.496 176.000 0.137 0.000 0.973 675 Q CA -1.338 54.520 55.803 0.092 0.000 0.768 675 Q CB 1.828 30.570 28.738 0.006 0.000 1.479 675 Q HN 0.716 nan 8.270 nan 0.000 0.419 676 Y N -1.918 118.362 120.300 -0.034 0.000 2.655 676 Y HA 0.848 5.398 4.550 -0.000 0.000 0.336 676 Y C -1.183 174.704 175.900 -0.021 0.000 1.154 676 Y CA -0.716 57.353 58.100 -0.051 0.000 1.055 676 Y CB 1.609 40.021 38.460 -0.080 0.000 1.295 676 Y HN 0.931 nan 8.280 nan 0.000 0.465 677 S N 0.189 115.934 115.700 0.074 0.000 2.671 677 S HA 0.873 5.343 4.470 -0.000 0.000 0.299 677 S C -0.942 173.687 174.600 0.048 0.000 1.116 677 S CA -0.363 57.837 58.200 0.000 0.000 0.912 677 S CB 1.972 65.268 63.200 0.160 0.000 1.130 677 S HN 1.182 nan 8.310 nan 0.000 0.501 678 T N -0.929 113.444 114.554 -0.302 0.000 2.840 678 T HA 0.785 5.135 4.350 -0.000 0.000 0.317 678 T C -0.371 173.611 174.700 -1.196 0.000 1.401 678 T CA 0.281 61.919 62.100 -0.771 0.000 1.028 678 T CB 1.047 69.707 68.868 -0.347 0.000 1.317 678 T HN 1.882 nan 8.240 nan 0.000 0.495 679 G N 1.836 109.572 108.800 -1.775 0.000 2.321 679 G HA2 0.516 4.476 3.960 -0.000 0.000 0.296 679 G HA3 0.516 4.476 3.960 -0.000 0.000 0.296 679 G C -2.071 172.126 174.900 -1.172 0.000 1.287 679 G CA -0.701 43.701 45.100 -1.164 0.000 0.846 679 G HN 0.774 nan 8.290 nan 0.000 0.508 680 Q N -0.930 118.449 119.800 -0.702 0.000 2.297 680 Q HA 0.792 5.132 4.340 -0.000 0.000 0.269 680 Q C -0.873 174.931 176.000 -0.326 0.000 1.051 680 Q CA -1.178 54.272 55.803 -0.588 0.000 0.869 680 Q CB 2.314 30.546 28.738 -0.844 0.000 1.346 680 Q HN 1.193 nan 8.270 nan 0.000 0.457 681 V N -0.267 119.575 119.914 -0.120 0.000 2.841 681 V HA 0.657 4.777 4.120 -0.000 0.000 0.310 681 V C -1.383 174.614 176.094 -0.161 0.000 1.090 681 V CA -0.256 61.968 62.300 -0.126 0.000 0.930 681 V CB 2.414 34.257 31.823 0.034 0.000 1.014 681 V HN 0.831 nan 8.190 nan 0.000 0.425 682 S N 4.051 119.609 115.700 -0.237 0.000 2.526 682 S HA 0.870 5.340 4.470 -0.000 0.000 0.293 682 S C -1.120 173.278 174.600 -0.336 0.000 1.092 682 S CA -0.568 57.513 58.200 -0.198 0.000 0.980 682 S CB 1.894 65.063 63.200 -0.051 0.000 1.048 682 S HN 0.852 nan 8.310 nan 0.000 0.483 683 V N 2.174 121.951 119.914 -0.229 0.000 2.623 683 V HA 0.552 4.672 4.120 -0.000 0.000 0.304 683 V C -0.506 175.482 176.094 -0.177 0.000 1.054 683 V CA -0.702 61.440 62.300 -0.263 0.000 0.882 683 V CB 1.701 33.292 31.823 -0.387 0.000 1.002 683 V HN 0.899 nan 8.190 nan 0.000 0.424 684 E N 4.437 124.510 120.200 -0.211 0.000 2.199 684 E HA 0.729 5.079 4.350 -0.000 0.000 0.265 684 E C -1.685 174.790 176.600 -0.208 0.000 0.882 684 E CA -0.625 55.671 56.400 -0.173 0.000 0.759 684 E CB 1.931 31.518 29.700 -0.189 0.000 1.148 684 E HN 0.722 nan 8.360 nan 0.000 0.412 685 I N 3.208 123.651 120.570 -0.213 0.000 2.545 685 I HA 0.275 4.445 4.170 -0.000 0.000 0.292 685 I C -0.405 175.458 176.117 -0.424 0.000 1.040 685 I CA -0.808 60.258 61.300 -0.390 0.000 1.068 685 I CB 2.163 39.762 38.000 -0.668 0.000 1.251 685 I HN 0.548 nan 8.210 nan 0.000 0.424 686 E N 5.474 125.406 120.200 -0.447 0.000 2.156 686 E HA 0.360 4.710 4.350 -0.000 0.000 0.279 686 E C -1.931 174.436 176.600 -0.389 0.000 0.965 686 E CA -0.596 55.638 56.400 -0.277 0.000 0.789 686 E CB 1.102 30.708 29.700 -0.157 0.000 1.098 686 E HN 0.372 nan 8.360 nan 0.000 0.397 687 W N 2.701 123.968 121.300 -0.054 0.000 2.666 687 W HA 0.336 4.996 4.660 -0.000 0.000 0.334 687 W C -0.117 176.457 176.519 0.092 0.000 1.051 687 W CA -0.813 56.558 57.345 0.043 0.000 1.224 687 W CB 1.027 30.583 29.460 0.160 0.000 1.405 687 W HN 0.445 nan 8.180 nan 0.000 0.513 688 E N 2.981 123.412 120.200 0.386 0.000 2.197 688 E HA 0.503 4.853 4.350 -0.000 0.000 0.281 688 E C -1.082 175.850 176.600 0.554 0.000 0.995 688 E CA -0.450 56.183 56.400 0.388 0.000 0.808 688 E CB 0.832 30.740 29.700 0.346 0.000 1.093 688 E HN 0.481 nan 8.360 nan 0.000 0.394 689 L N 3.518 124.964 121.223 0.373 0.000 2.334 689 L HA 0.365 4.705 4.340 -0.000 0.000 0.275 689 L C -0.017 176.852 176.870 -0.003 0.000 1.036 689 L CA -0.700 54.297 54.840 0.261 0.000 0.807 689 L CB 1.633 43.824 42.059 0.219 0.000 1.231 689 L HN 0.553 nan 8.230 nan 0.000 0.438 690 Q N 3.734 123.373 119.800 -0.268 0.000 2.425 690 Q HA 0.235 4.575 4.340 -0.000 0.000 0.254 690 Q C -0.733 175.162 176.000 -0.175 0.000 1.032 690 Q CA -0.774 54.741 55.803 -0.481 0.000 0.798 690 Q CB 1.083 29.233 28.738 -0.981 0.000 1.210 690 Q HN 0.547 nan 8.270 nan 0.000 0.491 691 K N 2.355 122.671 120.400 -0.140 0.000 2.319 691 K HA 0.084 4.404 4.320 -0.000 0.000 0.265 691 K C -0.088 176.287 176.600 -0.375 0.000 1.000 691 K CA -0.506 55.668 56.287 -0.188 0.000 0.943 691 K CB 0.732 33.142 32.500 -0.150 0.000 0.950 691 K HN 0.395 nan 8.250 nan 0.000 0.485 692 E N 2.055 121.870 120.200 -0.642 0.000 2.338 692 E HA -0.045 4.305 4.350 -0.000 0.000 0.272 692 E C -0.919 175.020 176.600 -1.101 0.000 1.029 692 E CA -0.142 55.384 56.400 -1.458 0.000 0.872 692 E CB 0.882 29.845 29.700 -1.228 0.000 1.015 692 E HN 0.799 nan 8.360 nan 0.000 0.417 693 N N 2.610 120.435 118.700 -1.458 0.000 2.517 693 N HA 0.028 4.768 4.740 -0.000 0.000 0.285 693 N C -1.139 174.227 175.510 -0.241 0.000 1.528 693 N CA -0.242 52.481 53.050 -0.545 0.000 0.892 693 N CB 0.579 38.944 38.487 -0.204 0.000 1.356 693 N HN 0.258 nan 8.380 nan 0.000 0.495 694 S N 0.068 115.604 115.700 -0.273 0.000 2.565 694 S HA 0.209 4.679 4.470 -0.000 0.000 0.276 694 S C 0.794 175.423 174.600 0.048 0.000 1.326 694 S CA -0.164 58.089 58.200 0.087 0.000 1.045 694 S CB 0.487 63.798 63.200 0.185 0.000 0.918 694 S HN 0.163 nan 8.310 nan 0.000 0.505 695 K N 2.647 123.111 120.400 0.105 0.000 2.440 695 K HA 0.116 4.436 4.320 -0.000 0.000 0.206 695 K C 0.490 177.172 176.600 0.137 0.000 1.025 695 K CA -0.161 56.186 56.287 0.101 0.000 1.135 695 K CB -0.025 32.538 32.500 0.105 0.000 0.856 695 K HN 0.614 nan 8.250 nan 0.000 0.502 696 R N 0.884 121.459 120.500 0.126 0.000 2.484 696 R HA -0.099 4.241 4.340 -0.000 0.000 0.293 696 R C 0.903 177.295 176.300 0.153 0.000 1.023 696 R CA 0.071 56.258 56.100 0.144 0.000 1.037 696 R CB 0.196 30.568 30.300 0.120 0.000 0.951 696 R HN 0.272 nan 8.270 nan 0.000 0.418 697 W N 5.875 127.189 121.300 0.022 0.000 2.441 697 W HA -0.126 4.534 4.660 -0.000 0.000 0.302 697 W C -0.107 176.418 176.519 0.011 0.000 1.191 697 W CA 1.326 58.679 57.345 0.012 0.000 1.327 697 W CB -0.092 29.375 29.460 0.011 0.000 1.128 697 W HN 0.739 nan 8.180 nan 0.000 0.522 698 N N 1.239 120.040 118.700 0.168 0.000 2.503 698 N HA 0.225 4.965 4.740 -0.000 0.000 0.267 698 N C -2.685 172.820 175.510 -0.008 0.000 1.214 698 N CA -1.084 52.006 53.050 0.066 0.000 0.959 698 N CB 0.223 38.796 38.487 0.143 0.000 1.142 698 N HN -0.240 nan 8.380 nan 0.000 0.455 699 P HA -0.031 nan 4.420 nan 0.000 0.269 699 P C -0.507 176.799 177.300 0.010 0.000 1.211 699 P CA 0.274 63.353 63.100 -0.035 0.000 0.781 699 P CB 0.484 32.161 31.700 -0.038 0.000 0.877 700 E N 0.847 121.055 120.200 0.014 0.000 2.254 700 E HA 0.360 4.710 4.350 -0.000 0.000 0.258 700 E C 0.266 176.907 176.600 0.069 0.000 1.033 700 E CA -0.880 55.553 56.400 0.055 0.000 0.893 700 E CB 1.053 30.794 29.700 0.068 0.000 1.204 700 E HN 0.337 nan 8.360 nan 0.000 0.425 701 I N 1.626 122.265 120.570 0.115 0.000 2.581 701 I HA 0.035 4.205 4.170 -0.000 0.000 0.288 701 I C 0.416 176.664 176.117 0.218 0.000 1.047 701 I CA 0.095 61.489 61.300 0.158 0.000 1.374 701 I CB 0.458 38.567 38.000 0.182 0.000 1.423 701 I HN 0.091 nan 8.210 nan 0.000 0.549 702 Q N 4.705 124.604 119.800 0.165 0.000 2.379 702 Q HA 0.265 4.605 4.340 -0.000 0.000 0.278 702 Q C -1.285 174.616 176.000 -0.164 0.000 1.068 702 Q CA -0.879 54.927 55.803 0.005 0.000 0.816 702 Q CB 2.876 31.580 28.738 -0.057 0.000 1.387 702 Q HN 0.519 nan 8.270 nan 0.000 0.413 703 Y N 1.161 121.028 120.300 -0.722 0.000 2.377 703 Y HA 0.300 4.849 4.550 -0.000 0.000 0.330 703 Y C -0.316 175.439 175.900 -0.241 0.000 1.108 703 Y CA 0.836 58.585 58.100 -0.584 0.000 1.308 703 Y CB 0.931 38.907 38.460 -0.807 0.000 1.216 703 Y HN 0.555 nan 8.280 nan 0.000 0.518 704 T N 4.576 118.629 114.554 -0.835 0.000 2.903 704 T HA 0.376 4.726 4.350 -0.000 0.000 0.299 704 T C -0.913 173.494 174.700 -0.488 0.000 1.093 704 T CA -0.681 61.144 62.100 -0.459 0.000 1.002 704 T CB 1.214 69.944 68.868 -0.229 0.000 1.127 704 T HN 0.744 nan 8.240 nan 0.000 0.488 705 S N 2.770 118.372 115.700 -0.164 0.000 2.593 705 S HA 0.332 4.802 4.470 -0.000 0.000 0.269 705 S C 0.340 174.920 174.600 -0.033 0.000 1.334 705 S CA -0.542 57.639 58.200 -0.032 0.000 1.015 705 S CB -0.042 63.190 63.200 0.054 0.000 0.912 705 S HN 0.715 nan 8.310 nan 0.000 0.541 706 N N 1.768 120.476 118.700 0.015 0.000 2.453 706 N HA 0.081 4.821 4.740 -0.000 0.000 0.253 706 N C 0.192 175.732 175.510 0.049 0.000 1.252 706 N CA 0.079 53.154 53.050 0.041 0.000 0.917 706 N CB 0.254 38.778 38.487 0.063 0.000 1.117 706 N HN 0.789 nan 8.380 nan 0.000 0.442 707 Y N 1.504 121.733 120.300 -0.118 0.000 2.262 707 Y HA 0.124 4.674 4.550 -0.000 0.000 0.295 707 Y C 0.161 175.875 175.900 -0.310 0.000 1.121 707 Y CA 0.760 58.697 58.100 -0.270 0.000 1.144 707 Y CB -0.037 38.141 38.460 -0.469 0.000 1.043 707 Y HN 0.503 nan 8.280 nan 0.000 0.528 708 Y N 2.452 122.747 120.300 -0.007 0.000 2.298 708 Y HA 0.164 4.714 4.550 -0.000 0.000 0.329 708 Y C 0.633 176.474 175.900 -0.098 0.000 1.293 708 Y CA -0.845 57.195 58.100 -0.102 0.000 1.388 708 Y CB 0.273 38.748 38.460 0.025 0.000 1.309 708 Y HN -0.023 nan 8.280 nan 0.000 0.544 709 K N 0.543 120.999 120.400 0.094 0.000 2.559 709 K HA 0.240 4.560 4.320 -0.000 0.000 0.279 709 K C -0.374 176.246 176.600 0.034 0.000 0.967 709 K CA -0.064 56.239 56.287 0.027 0.000 1.000 709 K CB 0.610 33.122 32.500 0.021 0.000 0.890 709 K HN 0.505 nan 8.250 nan 0.000 0.501 710 S N 0.572 116.277 115.700 0.009 0.000 2.550 710 S HA 0.189 4.659 4.470 -0.000 0.000 0.270 710 S C 0.483 175.078 174.600 -0.007 0.000 1.145 710 S CA -0.695 57.508 58.200 0.005 0.000 0.852 710 S CB 1.799 65.002 63.200 0.006 0.000 1.119 710 S HN 0.687 nan 8.310 nan 0.000 0.465 711 T N 2.022 116.568 114.554 -0.013 0.000 2.759 711 T HA 0.031 4.381 4.350 -0.000 0.000 0.269 711 T C 0.809 175.495 174.700 -0.023 0.000 1.042 711 T CA 1.705 63.794 62.100 -0.018 0.000 1.140 711 T CB -0.347 68.508 68.868 -0.023 0.000 0.864 711 T HN 0.864 nan 8.240 nan 0.000 0.455 712 S N -0.852 114.831 115.700 -0.028 0.000 2.720 712 S HA 0.654 5.124 4.470 -0.000 0.000 0.287 712 S C -1.074 173.510 174.600 -0.026 0.000 1.168 712 S CA -1.016 57.164 58.200 -0.034 0.000 0.832 712 S CB 1.781 64.948 63.200 -0.056 0.000 1.166 712 S HN -0.080 nan 8.310 nan 0.000 0.493 713 V N 2.153 122.054 119.914 -0.022 0.000 2.427 713 V HA 0.381 4.501 4.120 -0.000 0.000 0.286 713 V C -0.564 175.525 176.094 -0.008 0.000 1.034 713 V CA -0.675 61.629 62.300 0.006 0.000 0.893 713 V CB 1.216 33.059 31.823 0.034 0.000 0.982 713 V HN 0.860 nan 8.190 nan 0.000 0.452 714 D N 4.134 124.549 120.400 0.026 0.000 2.458 714 D HA 0.244 4.884 4.640 -0.000 0.000 0.243 714 D C 0.178 176.558 176.300 0.134 0.000 1.146 714 D CA 0.552 54.543 54.000 -0.016 0.000 0.877 714 D CB 0.087 40.951 40.800 0.106 0.000 1.176 714 D HN 0.490 nan 8.370 nan 0.000 0.461 715 F N -0.593 119.287 119.950 -0.117 0.000 2.890 715 F HA -0.190 4.337 4.527 -0.000 0.000 0.333 715 F C 0.380 176.172 175.800 -0.014 0.000 1.012 715 F CA 0.409 58.324 58.000 -0.141 0.000 1.090 715 F CB -1.545 37.492 39.000 0.061 0.000 1.281 715 F HN 0.444 nan 8.300 nan 0.000 0.786 716 A N -0.816 121.954 122.820 -0.084 0.000 2.529 716 A HA 0.917 5.237 4.320 -0.000 0.000 0.296 716 A C -0.378 177.124 177.584 -0.137 0.000 1.205 716 A CA -0.321 51.736 52.037 0.032 0.000 0.671 716 A CB 0.994 20.022 19.000 0.046 0.000 1.301 716 A HN 1.032 nan 8.150 nan 0.000 0.450 717 V N -1.043 118.806 119.914 -0.107 0.000 3.134 717 V HA 0.508 4.628 4.120 -0.000 0.000 0.313 717 V C 0.267 176.302 176.094 -0.098 0.000 1.069 717 V CA -0.805 61.407 62.300 -0.147 0.000 1.048 717 V CB 0.910 32.642 31.823 -0.152 0.000 1.119 717 V HN 0.879 nan 8.190 nan 0.000 0.461 718 N N 0.352 118.998 118.700 -0.090 0.000 2.347 718 N HA 0.192 4.932 4.740 -0.000 0.000 0.253 718 N C 1.322 176.810 175.510 -0.037 0.000 1.274 718 N CA 0.288 53.300 53.050 -0.064 0.000 0.941 718 N CB 1.029 39.482 38.487 -0.058 0.000 1.200 718 N HN 0.987 nan 8.380 nan 0.000 0.514 719 T N -1.947 112.589 114.554 -0.030 0.000 3.072 719 T HA 0.003 4.353 4.350 -0.000 0.000 0.266 719 T C 0.684 175.377 174.700 -0.012 0.000 1.127 719 T CA 0.930 63.020 62.100 -0.017 0.000 1.107 719 T CB 0.055 68.913 68.868 -0.016 0.000 0.910 719 T HN 0.424 nan 8.240 nan 0.000 0.513 720 E N 0.799 120.989 120.200 -0.016 0.000 2.481 720 E HA 0.287 4.637 4.350 -0.000 0.000 0.198 720 E C 1.554 178.154 176.600 -0.001 0.000 1.027 720 E CA 0.434 56.829 56.400 -0.008 0.000 0.900 720 E CB 0.122 29.815 29.700 -0.012 0.000 0.993 720 E HN 0.666 nan 8.360 nan 0.000 0.482 721 G N 1.079 109.875 108.800 -0.006 0.000 2.136 721 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.242 721 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.242 721 G C 0.236 175.134 174.900 -0.004 0.000 0.989 721 G CA 0.351 45.455 45.100 0.007 0.000 0.682 721 G HN 0.158 nan 8.290 nan 0.000 0.522 722 V N 0.910 120.806 119.914 -0.030 0.000 2.407 722 V HA 0.527 4.647 4.120 -0.000 0.000 0.278 722 V C 0.343 176.387 176.094 -0.085 0.000 1.037 722 V CA -1.026 61.255 62.300 -0.030 0.000 0.900 722 V CB 1.221 33.025 31.823 -0.033 0.000 0.983 722 V HN 0.339 nan 8.190 nan 0.000 0.459 723 Y N 4.751 124.912 120.300 -0.231 0.000 2.304 723 Y HA 0.583 5.133 4.550 -0.000 0.000 0.327 723 Y C 0.535 176.327 175.900 -0.179 0.000 1.209 723 Y CA -0.051 57.853 58.100 -0.326 0.000 1.299 723 Y CB 1.364 39.542 38.460 -0.470 0.000 1.249 723 Y HN 0.753 nan 8.280 nan 0.000 0.519 724 S N 3.294 118.442 115.700 -0.921 0.000 2.541 724 S HA 0.490 4.960 4.470 -0.000 0.000 0.271 724 S C -1.660 172.441 174.600 -0.831 0.000 1.133 724 S CA -1.181 56.635 58.200 -0.639 0.000 0.876 724 S CB 1.687 64.654 63.200 -0.388 0.000 1.105 724 S HN 0.689 nan 8.310 nan 0.000 0.470 725 E N 1.915 121.798 120.200 -0.529 0.000 2.063 725 E HA 0.297 4.647 4.350 -0.000 0.000 0.265 725 E C -2.050 174.221 176.600 -0.548 0.000 0.919 725 E CA -2.227 53.826 56.400 -0.579 0.000 0.756 725 E CB 1.172 30.809 29.700 -0.105 0.000 1.120 725 E HN 0.424 nan 8.360 nan 0.000 0.414 726 P HA -0.186 nan 4.420 nan 0.000 0.218 726 P C -0.201 176.955 177.300 -0.240 0.000 1.148 726 P CA 1.283 64.118 63.100 -0.441 0.000 0.822 726 P CB 0.189 31.614 31.700 -0.458 0.000 0.784 727 R N -3.458 116.932 120.500 -0.183 0.000 2.752 727 R HA 0.596 4.936 4.340 -0.000 0.000 0.271 727 R C -3.426 172.925 176.300 0.085 0.000 1.026 727 R CA -2.282 53.827 56.100 0.016 0.000 0.901 727 R CB 0.165 30.546 30.300 0.136 0.000 1.243 727 R HN -0.321 nan 8.270 nan 0.000 0.463 728 P HA 0.361 nan 4.420 nan 0.000 0.285 728 P C -0.826 176.623 177.300 0.249 0.000 1.259 728 P CA -0.432 62.697 63.100 0.050 0.000 0.794 728 P CB 0.797 32.519 31.700 0.037 0.000 0.940 729 I N 2.201 122.914 120.570 0.238 0.000 2.382 729 I HA 0.384 4.554 4.170 -0.000 0.000 0.286 729 I C 1.140 177.522 176.117 0.442 0.000 1.002 729 I CA -0.448 61.026 61.300 0.288 0.000 1.135 729 I CB 1.772 39.776 38.000 0.006 0.000 1.288 729 I HN 0.404 nan 8.210 nan 0.000 0.448 730 G N 2.960 112.017 108.800 0.429 0.000 2.514 730 G HA2 0.215 4.175 3.960 -0.000 0.000 0.245 730 G HA3 0.215 4.175 3.960 -0.000 0.000 0.245 730 G C 0.453 175.480 174.900 0.212 0.000 1.488 730 G CA 0.151 45.303 45.100 0.087 0.000 1.063 730 G HN 0.500 nan 8.290 nan 0.000 0.557 731 T N -1.029 113.539 114.554 0.023 0.000 3.009 731 T HA 0.183 4.533 4.350 -0.000 0.000 0.267 731 T C 0.895 175.622 174.700 0.045 0.000 0.942 731 T CA -0.284 61.826 62.100 0.017 0.000 0.883 731 T CB 0.120 68.999 68.868 0.019 0.000 1.192 731 T HN 0.293 nan 8.240 nan 0.000 0.524 732 R N 1.177 121.608 120.500 -0.116 0.000 3.171 732 R HA 0.357 4.697 4.340 -0.000 0.000 0.241 732 R C -0.234 175.873 176.300 -0.322 0.000 1.421 732 R CA -0.138 55.851 56.100 -0.186 0.000 1.444 732 R CB 0.139 30.292 30.300 -0.245 0.000 1.247 732 R HN 0.361 nan 8.270 nan 0.000 0.636 733 Y N 0.216 120.538 120.300 0.037 0.000 2.506 733 Y HA 0.152 4.702 4.550 -0.000 0.000 0.287 733 Y C 1.016 176.968 175.900 0.087 0.000 1.147 733 Y CA -0.077 58.060 58.100 0.062 0.000 1.241 733 Y CB 0.391 38.884 38.460 0.055 0.000 1.279 733 Y HN 0.184 nan 8.280 nan 0.000 0.527 734 L N 1.124 122.510 121.223 0.272 0.000 2.473 734 L HA 0.198 4.538 4.340 -0.000 0.000 0.268 734 L C 0.567 177.602 176.870 0.275 0.000 1.215 734 L CA -0.112 54.894 54.840 0.275 0.000 0.823 734 L CB 0.500 42.765 42.059 0.344 0.000 1.099 734 L HN 0.178 nan 8.230 nan 0.000 0.483 735 T N -0.302 114.414 114.554 0.271 0.000 2.942 735 T HA 0.664 5.014 4.350 -0.000 0.000 0.289 735 T C -0.482 174.274 174.700 0.093 0.000 1.044 735 T CA -0.990 61.211 62.100 0.169 0.000 1.023 735 T CB 2.477 71.419 68.868 0.124 0.000 1.123 735 T HN 0.615 nan 8.240 nan 0.000 0.512 736 R N 0.709 121.143 120.500 -0.111 0.000 2.626 736 R HA 0.360 4.700 4.340 -0.000 0.000 0.274 736 R C -0.835 175.382 176.300 -0.138 0.000 1.031 736 R CA -0.637 55.227 56.100 -0.393 0.000 0.898 736 R CB 1.834 31.405 30.300 -1.216 0.000 1.222 736 R HN 0.901 nan 8.270 nan 0.000 0.455 737 N N 1.414 120.039 118.700 -0.125 0.000 2.354 737 N HA 0.191 4.931 4.740 -0.000 0.000 0.246 737 N C -0.058 175.427 175.510 -0.042 0.000 1.285 737 N CA -0.299 52.727 53.050 -0.039 0.000 0.925 737 N CB 0.712 39.174 38.487 -0.041 0.000 1.174 737 N HN 0.253 nan 8.380 nan 0.000 0.478 738 L N 0.000 121.176 121.223 -0.078 0.000 2.949 738 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 738 L CA 0.000 54.724 54.840 -0.193 0.000 0.813 738 L CB 0.000 41.893 42.059 -0.276 0.000 0.961 738 L HN 0.000 nan 8.230 nan 0.000 0.502