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 1ehi_1_A DATA FIRST_RESID 3 DATA SEQUENCE KKRVALIFGG NSSEHDVSKR SAQNFYNAIE ATGKYEIIVF AIAQNGFFLD DATA SEQUENCE TESSKKILAL EDEQPIVDAF MKTVDASDPL ARIHALKSAG DFDIFFPVVH DATA SEQUENCE GNLGEDGTLQ GLFKLLDKPY VGAPLRGHAV SFDKALTKEL LTVNGIRNTK DATA SEQUENCE YIVVDPESAN NWSWDKIVAE LGNIVFVKAA NQGSSVGISR VTNAEEYTEA DATA SEQUENCE LSDSFQYDYK VLIEEAVNGA RELEVGVIGN DQPLVSEIGA HTVPNQGSGD DATA SEQUENCE GWYDYNNKFV DNSAVHFQIP AQLSPEVTKE VKQMALDAYK VLNLRGEARM DATA SEQUENCE DFLLDENNVP YLGEPNTLPG FTNMSLFKRL WDYSDINNAK LVDMLIDYGF DATA SEQUENCE EDFAQNKKLS 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 3 K HA 0.000 nan 4.320 nan 0.000 0.191 3 K C 0.000 176.626 176.600 0.043 0.000 0.988 3 K CA 0.000 56.279 56.287 -0.014 0.000 0.838 3 K CB 0.000 32.482 32.500 -0.029 0.000 1.064 4 K N 3.271 123.722 120.400 0.086 0.000 2.484 4 K HA 0.056 4.376 4.320 0.001 0.000 0.280 4 K C -0.216 176.531 176.600 0.245 0.000 1.013 4 K CA 0.420 56.828 56.287 0.201 0.000 1.029 4 K CB 0.402 33.110 32.500 0.346 0.000 0.902 4 K HN 0.209 nan 8.250 nan 0.000 0.481 5 R N 1.523 122.128 120.500 0.175 0.000 2.357 5 R HA 0.331 4.672 4.340 0.001 0.000 0.296 5 R C -0.278 176.072 176.300 0.084 0.000 1.052 5 R CA -0.769 55.410 56.100 0.131 0.000 0.988 5 R CB 0.572 30.957 30.300 0.142 0.000 1.025 5 R HN 0.158 nan 8.270 nan 0.000 0.469 6 V N 1.987 121.895 119.914 -0.010 0.000 2.409 6 V HA 0.336 4.457 4.120 0.001 0.000 0.291 6 V C 0.141 176.132 176.094 -0.172 0.000 1.020 6 V CA -0.963 61.267 62.300 -0.117 0.000 0.848 6 V CB 1.600 33.302 31.823 -0.201 0.000 0.990 6 V HN 0.884 nan 8.190 nan 0.000 0.430 7 A N 6.214 128.852 122.820 -0.303 0.000 2.666 7 A HA 0.505 4.825 4.320 0.001 0.000 0.312 7 A C -0.166 177.387 177.584 -0.052 0.000 1.471 7 A CA -0.183 51.631 52.037 -0.373 0.000 1.134 7 A CB -0.148 18.164 19.000 -1.146 0.000 1.129 7 A HN 0.841 nan 8.150 nan 0.000 0.539 8 L N 4.640 125.873 121.223 0.017 0.000 2.363 8 L HA 0.330 4.671 4.340 0.001 0.000 0.286 8 L C -0.703 176.305 176.870 0.230 0.000 1.106 8 L CA -0.021 54.878 54.840 0.099 0.000 0.859 8 L CB 0.063 42.145 42.059 0.037 0.000 1.223 8 L HN 0.562 nan 8.230 nan 0.000 0.446 9 I N 5.437 126.159 120.570 0.253 0.000 2.392 9 I HA 0.405 4.576 4.170 0.001 0.000 0.295 9 I C -0.254 175.970 176.117 0.178 0.000 0.985 9 I CA -0.565 60.868 61.300 0.222 0.000 1.221 9 I CB 1.417 39.557 38.000 0.234 0.000 1.366 9 I HN 0.440 nan 8.210 nan 0.000 0.467 10 F N 3.356 123.265 119.950 -0.068 0.000 2.715 10 F HA 0.917 5.444 4.527 0.000 0.000 0.318 10 F C 0.375 176.044 175.800 -0.219 0.000 1.141 10 F CA -0.073 57.840 58.000 -0.144 0.000 0.950 10 F CB 0.970 39.902 39.000 -0.113 0.000 1.374 10 F HN 0.691 nan 8.300 nan 0.000 0.477 11 G N 0.410 109.107 108.800 -0.171 0.000 2.947 11 G HA2 0.408 4.368 3.960 0.001 0.000 0.251 11 G HA3 0.408 4.368 3.960 0.001 0.000 0.251 11 G C 0.722 175.493 174.900 -0.216 0.000 1.481 11 G CA 0.664 45.495 45.100 -0.448 0.000 1.006 11 G HN 3.119 nan 8.290 nan 0.000 0.561 12 G N -0.167 108.566 108.800 -0.111 0.000 2.755 12 G HA2 0.271 4.231 3.960 0.001 0.000 0.686 12 G HA3 0.271 4.231 3.960 0.001 0.000 0.686 12 G C -0.093 174.893 174.900 0.142 0.000 1.427 12 G CA 0.638 45.715 45.100 -0.037 0.000 0.873 12 G HN 2.404 nan 8.290 nan 0.000 0.580 13 N N 0.142 118.867 118.700 0.042 0.000 2.549 13 N HA 0.424 5.164 4.740 0.001 0.000 0.267 13 N C -0.053 175.489 175.510 0.053 0.000 1.182 13 N CA 0.502 53.575 53.050 0.038 0.000 1.019 13 N CB 1.211 39.708 38.487 0.018 0.000 1.380 13 N HN 0.945 nan 8.380 nan 0.000 0.505 14 S N 0.326 116.084 115.700 0.098 0.000 2.579 14 S HA 0.350 4.820 4.470 0.001 0.000 0.272 14 S C 0.540 175.208 174.600 0.114 0.000 1.141 14 S CA -0.666 57.595 58.200 0.102 0.000 0.843 14 S CB 1.186 64.442 63.200 0.094 0.000 1.122 14 S HN 0.337 nan 8.310 nan 0.000 0.468 15 S N 1.495 117.252 115.700 0.095 0.000 2.474 15 S HA 0.013 4.483 4.470 0.001 0.000 0.235 15 S C 0.706 175.338 174.600 0.054 0.000 0.997 15 S CA 0.822 59.050 58.200 0.046 0.000 0.949 15 S CB -0.223 62.969 63.200 -0.013 0.000 0.766 15 S HN 0.733 nan 8.310 nan 0.000 0.517 16 E N -0.355 119.909 120.200 0.107 0.000 2.496 16 E HA 0.114 4.465 4.350 0.001 0.000 0.200 16 E C 0.845 177.521 176.600 0.127 0.000 1.016 16 E CA -0.148 56.315 56.400 0.104 0.000 0.962 16 E CB 0.119 29.899 29.700 0.133 0.000 1.071 16 E HN 0.558 nan 8.360 nan 0.000 0.457 17 H N 1.662 120.762 119.070 0.049 0.000 2.353 17 H HA -0.163 4.393 4.556 0.000 0.000 0.298 17 H C 1.334 176.700 175.328 0.063 0.000 1.103 17 H CA 2.105 58.183 56.048 0.051 0.000 1.293 17 H CB 0.378 30.159 29.762 0.031 0.000 1.372 17 H HN 0.036 nan 8.280 nan 0.000 0.501 18 D N -0.740 119.757 120.400 0.163 0.000 2.224 18 D HA -0.092 4.549 4.640 0.001 0.000 0.205 18 D C 2.329 178.610 176.300 -0.031 0.000 0.965 18 D CA 0.893 54.943 54.000 0.084 0.000 0.852 18 D CB -0.046 40.817 40.800 0.104 0.000 0.947 18 D HN 0.277 nan 8.370 nan 0.000 0.494 19 V N 0.562 120.409 119.914 -0.113 0.000 2.358 19 V HA -0.211 3.909 4.120 0.001 0.000 0.246 19 V C 2.373 178.507 176.094 0.067 0.000 1.047 19 V CA 1.521 63.697 62.300 -0.206 0.000 1.035 19 V CB -0.649 30.885 31.823 -0.481 0.000 0.658 19 V HN 0.134 nan 8.190 nan 0.000 0.452 20 S N -0.202 115.586 115.700 0.146 0.000 2.392 20 S HA -0.258 4.213 4.470 0.001 0.000 0.232 20 S C 1.983 176.583 174.600 -0.001 0.000 1.041 20 S CA 1.538 59.780 58.200 0.070 0.000 1.026 20 S CB -0.329 62.848 63.200 -0.038 0.000 0.845 20 S HN 0.577 nan 8.310 nan 0.000 0.465 21 K N 1.087 121.459 120.400 -0.046 0.000 2.009 21 K HA -0.077 4.243 4.320 0.001 0.000 0.210 21 K C 2.389 178.905 176.600 -0.140 0.000 1.049 21 K CA 1.113 57.300 56.287 -0.166 0.000 0.929 21 K CB -0.308 32.148 32.500 -0.072 0.000 0.714 21 K HN 0.325 nan 8.250 nan 0.000 0.440 22 R N 0.670 121.148 120.500 -0.038 0.000 2.070 22 R HA -0.080 4.261 4.340 0.001 0.000 0.232 22 R C 2.648 178.982 176.300 0.056 0.000 1.138 22 R CA 1.741 57.841 56.100 0.001 0.000 0.936 22 R CB -0.333 29.982 30.300 0.026 0.000 0.839 22 R HN 0.116 nan 8.270 nan 0.000 0.429 23 S N 0.716 116.511 115.700 0.159 0.000 2.370 23 S HA -0.206 4.264 4.470 0.001 0.000 0.226 23 S C 2.064 176.845 174.600 0.302 0.000 1.033 23 S CA 1.336 59.715 58.200 0.298 0.000 1.011 23 S CB -0.294 63.235 63.200 0.549 0.000 0.852 23 S HN 0.503 nan 8.310 nan 0.000 0.457 24 A N 1.284 124.189 122.820 0.141 0.000 1.883 24 A HA -0.225 4.095 4.320 0.001 0.000 0.217 24 A C 2.143 179.739 177.584 0.020 0.000 1.186 24 A CA 2.049 54.104 52.037 0.029 0.000 0.624 24 A CB -0.885 17.860 19.000 -0.425 0.000 0.822 24 A HN 0.456 nan 8.150 nan 0.000 0.444 25 Q N 0.254 120.010 119.800 -0.074 0.000 2.096 25 Q HA -0.180 4.161 4.340 0.001 0.000 0.204 25 Q C 1.845 177.908 176.000 0.104 0.000 0.982 25 Q CA 2.168 57.949 55.803 -0.036 0.000 0.850 25 Q CB -0.327 28.358 28.738 -0.089 0.000 0.901 25 Q HN 0.667 nan 8.270 nan 0.000 0.422 26 N N -0.738 118.033 118.700 0.119 0.000 2.084 26 N HA -0.122 4.619 4.740 0.001 0.000 0.190 26 N C 1.419 177.089 175.510 0.267 0.000 1.030 26 N CA 1.200 54.347 53.050 0.160 0.000 0.849 26 N CB -0.391 38.164 38.487 0.114 0.000 1.012 26 N HN 0.253 nan 8.380 nan 0.000 0.423 27 F N 0.398 120.488 119.950 0.232 0.000 2.171 27 F HA -0.143 4.384 4.527 0.000 0.000 0.300 27 F C 2.333 178.051 175.800 -0.136 0.000 1.090 27 F CA 0.638 58.606 58.000 -0.052 0.000 1.293 27 F CB -0.875 37.984 39.000 -0.235 0.000 1.013 27 F HN 0.089 nan 8.300 nan 0.000 0.486 28 Y N 1.175 121.499 120.300 0.040 0.000 2.097 28 Y HA -0.287 4.263 4.550 0.000 0.000 0.282 28 Y C 2.113 178.003 175.900 -0.017 0.000 1.152 28 Y CA 2.234 60.305 58.100 -0.048 0.000 1.136 28 Y CB -1.014 37.408 38.460 -0.064 0.000 0.975 28 Y HN 0.077 nan 8.280 nan 0.000 0.498 29 N N -0.083 118.758 118.700 0.234 0.000 2.149 29 N HA -0.207 4.533 4.740 0.001 0.000 0.188 29 N C 1.968 177.504 175.510 0.042 0.000 1.019 29 N CA 0.987 54.125 53.050 0.147 0.000 0.857 29 N CB -0.347 38.228 38.487 0.147 0.000 0.997 29 N HN 0.487 nan 8.380 nan 0.000 0.426 30 A N 1.187 124.053 122.820 0.076 0.000 1.877 30 A HA -0.095 4.225 4.320 0.001 0.000 0.216 30 A C 2.127 179.721 177.584 0.016 0.000 1.186 30 A CA 1.051 53.141 52.037 0.088 0.000 0.620 30 A CB -0.614 18.506 19.000 0.201 0.000 0.822 30 A HN 0.190 nan 8.150 nan 0.000 0.443 31 I N -0.644 119.876 120.570 -0.084 0.000 2.315 31 I HA -0.235 3.935 4.170 0.001 0.000 0.248 31 I C 2.541 178.599 176.117 -0.098 0.000 1.117 31 I CA 1.668 62.900 61.300 -0.113 0.000 1.404 31 I CB -0.333 37.486 38.000 -0.303 0.000 1.071 31 I HN 0.542 nan 8.210 nan 0.000 0.419 32 E N 1.532 121.597 120.200 -0.225 0.000 2.085 32 E HA -0.258 4.092 4.350 0.001 0.000 0.194 32 E C 2.267 178.830 176.600 -0.062 0.000 0.994 32 E CA 1.362 57.648 56.400 -0.189 0.000 0.801 32 E CB -0.027 29.537 29.700 -0.226 0.000 0.743 32 E HN 0.486 nan 8.360 nan 0.000 0.453 33 A N 0.584 123.387 122.820 -0.028 0.000 1.972 33 A HA -0.195 4.126 4.320 0.001 0.000 0.219 33 A C 2.392 179.977 177.584 0.003 0.000 1.169 33 A CA 2.150 54.187 52.037 0.000 0.000 0.635 33 A CB -1.152 17.860 19.000 0.019 0.000 0.810 33 A HN 0.551 nan 8.150 nan 0.000 0.446 34 T N -3.450 111.114 114.554 0.016 0.000 2.833 34 T HA 0.206 4.556 4.350 0.001 0.000 0.269 34 T C 1.660 176.338 174.700 -0.037 0.000 1.054 34 T CA 1.428 63.536 62.100 0.013 0.000 1.135 34 T CB -0.816 68.097 68.868 0.076 0.000 0.869 34 T HN 1.783 nan 8.240 nan 0.000 0.466 35 G N 2.433 111.208 108.800 -0.043 0.000 2.160 35 G HA2 -0.308 3.652 3.960 0.001 0.000 0.251 35 G HA3 -0.308 3.652 3.960 0.001 0.000 0.251 35 G C 0.526 175.349 174.900 -0.127 0.000 1.008 35 G CA 0.626 45.686 45.100 -0.067 0.000 0.724 35 G HN 0.838 nan 8.290 nan 0.000 0.514 36 K N -1.416 118.846 120.400 -0.229 0.000 2.447 36 K HA 0.443 4.763 4.320 0.001 0.000 0.205 36 K C -0.329 175.908 176.600 -0.605 0.000 1.059 36 K CA -0.389 55.639 56.287 -0.430 0.000 1.065 36 K CB 0.890 33.063 32.500 -0.545 0.000 0.885 36 K HN 0.314 nan 8.250 nan 0.000 0.545 37 Y N 1.134 121.414 120.300 -0.034 0.000 2.553 37 Y HA 0.377 4.927 4.550 0.001 0.000 0.347 37 Y C -0.528 175.338 175.900 -0.058 0.000 1.019 37 Y CA -1.305 56.775 58.100 -0.033 0.000 1.032 37 Y CB 1.884 40.322 38.460 -0.038 0.000 1.284 37 Y HN -0.020 nan 8.280 nan 0.000 0.466 38 E N 2.361 122.644 120.200 0.138 0.000 2.191 38 E HA 0.643 4.993 4.350 0.001 0.000 0.274 38 E C -1.504 175.109 176.600 0.021 0.000 0.948 38 E CA -0.532 55.899 56.400 0.052 0.000 0.802 38 E CB 1.193 30.923 29.700 0.050 0.000 1.137 38 E HN 0.634 nan 8.360 nan 0.000 0.397 39 I N 5.253 125.810 120.570 -0.021 0.000 2.465 39 I HA 0.359 4.530 4.170 0.001 0.000 0.291 39 I C -0.199 175.908 176.117 -0.017 0.000 1.014 39 I CA -0.961 60.310 61.300 -0.049 0.000 1.093 39 I CB 1.575 39.489 38.000 -0.144 0.000 1.267 39 I HN 0.415 nan 8.210 nan 0.000 0.431 40 I N 4.171 124.687 120.570 -0.091 0.000 2.418 40 I HA 0.575 4.745 4.170 0.001 0.000 0.287 40 I C -0.569 175.357 176.117 -0.319 0.000 1.008 40 I CA -0.968 60.203 61.300 -0.216 0.000 1.104 40 I CB 1.587 39.435 38.000 -0.253 0.000 1.264 40 I HN 0.139 nan 8.210 nan 0.000 0.438 41 V N 6.161 125.892 119.914 -0.304 0.000 2.607 41 V HA 0.409 4.529 4.120 0.001 0.000 0.289 41 V C -0.539 175.277 176.094 -0.463 0.000 1.053 41 V CA -0.022 62.171 62.300 -0.179 0.000 0.996 41 V CB 1.169 33.004 31.823 0.020 0.000 0.995 41 V HN 0.505 nan 8.190 nan 0.000 0.476 42 F N 2.319 122.295 119.950 0.044 0.000 2.562 42 F HA 0.713 5.241 4.527 0.001 0.000 0.319 42 F C 0.310 175.886 175.800 -0.373 0.000 1.154 42 F CA -0.523 57.439 58.000 -0.064 0.000 0.931 42 F CB 1.693 40.727 39.000 0.057 0.000 1.198 42 F HN 0.567 nan 8.300 nan 0.000 0.444 43 A N 4.480 127.079 122.820 -0.369 0.000 2.312 43 A HA 0.887 5.207 4.320 0.001 0.000 0.328 43 A C -0.689 176.544 177.584 -0.586 0.000 1.158 43 A CA -0.586 50.920 52.037 -0.885 0.000 0.821 43 A CB 0.674 19.207 19.000 -0.778 0.000 1.170 43 A HN 0.699 nan 8.150 nan 0.000 0.490 44 I N 2.081 122.277 120.570 -0.623 0.000 2.411 44 I HA 0.437 4.608 4.170 0.001 0.000 0.284 44 I C 0.776 176.785 176.117 -0.180 0.000 1.012 44 I CA -0.394 60.615 61.300 -0.486 0.000 1.119 44 I CB 1.468 39.084 38.000 -0.641 0.000 1.261 44 I HN 0.770 nan 8.210 nan 0.000 0.448 45 A N 5.555 128.330 122.820 -0.075 0.000 2.325 45 A HA 0.153 4.473 4.320 0.001 0.000 0.260 45 A C 1.086 178.678 177.584 0.013 0.000 1.133 45 A CA -0.006 52.041 52.037 0.016 0.000 0.801 45 A CB 0.298 19.302 19.000 0.007 0.000 1.092 45 A HN 0.767 nan 8.150 nan 0.000 0.504 46 Q N 0.078 119.827 119.800 -0.085 0.000 2.437 46 Q HA -0.147 4.194 4.340 0.001 0.000 0.210 46 Q C 1.206 177.204 176.000 -0.004 0.000 0.972 46 Q CA 1.538 57.274 55.803 -0.111 0.000 0.903 46 Q CB -0.278 28.339 28.738 -0.202 0.000 0.967 46 Q HN 0.935 nan 8.270 nan 0.000 0.486 47 N N -1.612 117.125 118.700 0.062 0.000 2.336 47 N HA 0.073 4.813 4.740 0.001 0.000 0.189 47 N C 0.953 176.608 175.510 0.240 0.000 1.113 47 N CA 0.479 53.620 53.050 0.151 0.000 0.858 47 N CB 0.539 39.126 38.487 0.166 0.000 0.970 47 N HN 0.107 nan 8.380 nan 0.000 0.471 48 G N 0.187 109.081 108.800 0.156 0.000 2.141 48 G HA2 -0.262 3.698 3.960 0.001 0.000 0.242 48 G HA3 -0.262 3.698 3.960 0.001 0.000 0.242 48 G C -0.407 174.553 174.900 0.101 0.000 0.982 48 G CA -0.329 44.822 45.100 0.085 0.000 0.662 48 G HN 0.298 nan 8.290 nan 0.000 0.527 49 F N 0.369 120.347 119.950 0.047 0.000 2.408 49 F HA 0.711 5.238 4.527 0.000 0.000 0.344 49 F C 0.754 176.588 175.800 0.056 0.000 1.112 49 F CA -1.140 56.938 58.000 0.129 0.000 1.096 49 F CB 0.675 39.775 39.000 0.167 0.000 1.129 49 F HN -0.013 nan 8.300 nan 0.000 0.486 50 F N 3.842 123.829 119.950 0.061 0.000 2.459 50 F HA 0.344 4.872 4.527 0.000 0.000 0.346 50 F C 0.211 175.925 175.800 -0.144 0.000 1.128 50 F CA -0.231 57.749 58.000 -0.032 0.000 1.268 50 F CB 0.420 39.396 39.000 -0.039 0.000 1.161 50 F HN 0.110 nan 8.300 nan 0.000 0.583 51 L N 2.494 123.641 121.223 -0.126 0.000 2.330 51 L HA 0.376 4.716 4.340 0.001 0.000 0.271 51 L C -0.172 176.647 176.870 -0.084 0.000 1.013 51 L CA -1.364 53.134 54.840 -0.570 0.000 0.816 51 L CB 1.444 43.171 42.059 -0.553 0.000 1.287 51 L HN 0.565 nan 8.230 nan 0.000 0.435 52 D N -0.725 119.656 120.400 -0.033 0.000 2.378 52 D HA -0.115 4.525 4.640 0.001 0.000 0.238 52 D C 0.862 177.218 176.300 0.094 0.000 1.180 52 D CA -0.098 54.039 54.000 0.229 0.000 0.895 52 D CB 1.237 42.232 40.800 0.326 0.000 1.192 52 D HN 0.610 nan 8.370 nan 0.000 0.438 53 T N -0.099 114.473 114.554 0.030 0.000 2.822 53 T HA -0.184 4.167 4.350 0.001 0.000 0.270 53 T C 1.324 175.973 174.700 -0.084 0.000 1.064 53 T CA 1.461 63.449 62.100 -0.187 0.000 1.131 53 T CB -0.032 68.683 68.868 -0.255 0.000 0.858 53 T HN 0.359 nan 8.240 nan 0.000 0.483 54 E N 0.548 120.748 120.200 -0.000 0.000 2.042 54 E HA 0.049 4.399 4.350 0.001 0.000 0.189 54 E C 2.672 179.284 176.600 0.019 0.000 0.974 54 E CA 0.853 57.261 56.400 0.014 0.000 0.806 54 E CB -0.693 29.034 29.700 0.046 0.000 0.769 54 E HN 0.424 nan 8.360 nan 0.000 0.451 55 S N 1.435 117.159 115.700 0.040 0.000 2.400 55 S HA -0.136 4.334 4.470 0.001 0.000 0.232 55 S C 2.155 176.757 174.600 0.003 0.000 1.025 55 S CA 1.436 59.654 58.200 0.031 0.000 0.993 55 S CB -0.197 63.023 63.200 0.033 0.000 0.808 55 S HN 0.362 nan 8.310 nan 0.000 0.478 56 S N 1.814 117.502 115.700 -0.019 0.000 2.371 56 S HA 0.024 4.495 4.470 0.001 0.000 0.224 56 S C 1.642 176.290 174.600 0.079 0.000 1.029 56 S CA 0.589 58.793 58.200 0.007 0.000 0.978 56 S CB -0.343 62.825 63.200 -0.053 0.000 0.833 56 S HN 0.401 nan 8.310 nan 0.000 0.466 57 K N 1.457 121.861 120.400 0.007 0.000 2.152 57 K HA -0.032 4.289 4.320 0.001 0.000 0.206 57 K C 2.266 178.852 176.600 -0.023 0.000 1.048 57 K CA 1.329 57.597 56.287 -0.031 0.000 0.933 57 K CB -0.129 32.334 32.500 -0.062 0.000 0.721 57 K HN 0.421 nan 8.250 nan 0.000 0.447 58 K N 0.404 120.806 120.400 0.004 0.000 2.062 58 K HA -0.045 4.276 4.320 0.001 0.000 0.205 58 K C 2.017 178.634 176.600 0.030 0.000 1.051 58 K CA 0.852 57.144 56.287 0.009 0.000 0.941 58 K CB -0.012 32.499 32.500 0.019 0.000 0.719 58 K HN 0.056 nan 8.250 nan 0.000 0.440 59 I N 1.626 122.242 120.570 0.077 0.000 2.286 59 I HA -0.246 3.925 4.170 0.001 0.000 0.248 59 I C 2.324 178.514 176.117 0.121 0.000 1.115 59 I CA 1.238 62.616 61.300 0.131 0.000 1.392 59 I CB -0.887 37.231 38.000 0.197 0.000 1.065 59 I HN 0.224 nan 8.210 nan 0.000 0.418 60 L N 0.879 122.155 121.223 0.088 0.000 2.046 60 L HA -0.140 4.200 4.340 0.001 0.000 0.208 60 L C 2.337 179.125 176.870 -0.136 0.000 1.077 60 L CA 1.342 56.090 54.840 -0.152 0.000 0.747 60 L CB -0.339 41.568 42.059 -0.253 0.000 0.896 60 L HN 0.189 nan 8.230 nan 0.000 0.432 61 A N -0.737 122.028 122.820 -0.092 0.000 2.263 61 A HA -0.040 4.280 4.320 0.001 0.000 0.205 61 A C 1.288 178.844 177.584 -0.046 0.000 1.226 61 A CA 0.244 52.233 52.037 -0.080 0.000 0.810 61 A CB -0.319 18.641 19.000 -0.066 0.000 0.784 61 A HN 0.525 nan 8.150 nan 0.000 0.486 62 L N -2.186 119.017 121.223 -0.033 0.000 4.759 62 L HA -0.188 4.152 4.340 0.001 0.000 0.419 62 L C 0.416 177.292 176.870 0.011 0.000 1.093 62 L CA 1.150 55.985 54.840 -0.008 0.000 1.037 62 L CB -2.550 39.499 42.059 -0.017 0.000 2.095 62 L HN 0.659 nan 8.230 nan 0.000 0.739 63 E N 0.310 120.518 120.200 0.014 0.000 2.408 63 E HA 0.058 4.408 4.350 0.001 0.000 0.259 63 E C 0.500 177.121 176.600 0.034 0.000 1.110 63 E CA -0.483 55.929 56.400 0.020 0.000 0.929 63 E CB 0.548 30.259 29.700 0.018 0.000 0.971 63 E HN 0.058 nan 8.360 nan 0.000 0.438 64 D N 1.353 121.772 120.400 0.030 0.000 2.525 64 D HA -0.100 4.541 4.640 0.001 0.000 0.235 64 D C 0.638 176.963 176.300 0.042 0.000 1.137 64 D CA 0.706 54.727 54.000 0.034 0.000 0.868 64 D CB 0.809 41.625 40.800 0.026 0.000 1.180 64 D HN 0.437 nan 8.370 nan 0.000 0.465 65 E N 1.683 121.913 120.200 0.050 0.000 2.011 65 E HA -0.162 4.188 4.350 0.001 0.000 0.191 65 E C 1.569 178.190 176.600 0.034 0.000 0.980 65 E CA 0.332 56.765 56.400 0.054 0.000 0.814 65 E CB 0.113 29.857 29.700 0.075 0.000 0.775 65 E HN 0.459 nan 8.360 nan 0.000 0.454 66 Q N -0.110 119.703 119.800 0.022 0.000 2.103 66 Q HA -0.188 4.152 4.340 0.001 0.000 0.213 66 Q C -0.442 175.570 176.000 0.020 0.000 1.008 66 Q CA 2.268 58.079 55.803 0.013 0.000 0.879 66 Q CB -1.596 27.145 28.738 0.005 0.000 0.946 66 Q HN 0.304 nan 8.270 nan 0.000 0.413 67 P HA -0.127 nan 4.420 nan 0.000 0.215 67 P C 1.392 178.715 177.300 0.038 0.000 1.153 67 P CA 1.190 64.305 63.100 0.025 0.000 0.853 67 P CB -0.190 31.524 31.700 0.023 0.000 0.788 68 I N -1.802 118.795 120.570 0.044 0.000 2.493 68 I HA -0.151 4.019 4.170 0.001 0.000 0.254 68 I C 2.061 178.229 176.117 0.085 0.000 1.160 68 I CA 1.003 62.339 61.300 0.060 0.000 1.445 68 I CB -0.506 37.524 38.000 0.050 0.000 1.086 68 I HN -0.146 nan 8.210 nan 0.000 0.433 69 V N 0.658 120.610 119.914 0.064 0.000 2.302 69 V HA -0.218 3.902 4.120 0.001 0.000 0.243 69 V C 2.108 178.263 176.094 0.102 0.000 1.036 69 V CA 1.779 64.126 62.300 0.077 0.000 1.020 69 V CB -0.564 31.275 31.823 0.027 0.000 0.657 69 V HN 0.343 nan 8.190 nan 0.000 0.453 70 D N 0.726 121.155 120.400 0.048 0.000 2.149 70 D HA -0.216 4.424 4.640 0.001 0.000 0.194 70 D C 2.200 178.518 176.300 0.029 0.000 1.001 70 D CA 1.852 55.865 54.000 0.021 0.000 0.849 70 D CB -0.317 40.488 40.800 0.008 0.000 0.939 70 D HN 0.441 nan 8.370 nan 0.000 0.449 71 A N 0.618 123.471 122.820 0.056 0.000 1.883 71 A HA -0.204 4.117 4.320 0.001 0.000 0.217 71 A C 2.169 179.789 177.584 0.059 0.000 1.186 71 A CA 1.362 53.431 52.037 0.052 0.000 0.624 71 A CB -1.122 17.920 19.000 0.070 0.000 0.822 71 A HN 0.281 nan 8.150 nan 0.000 0.444 72 F N -0.088 119.855 119.950 -0.013 0.000 2.134 72 F HA -0.161 4.367 4.527 0.000 0.000 0.299 72 F C 2.082 177.856 175.800 -0.044 0.000 1.097 72 F CA 1.790 59.787 58.000 -0.005 0.000 1.264 72 F CB -0.103 38.907 39.000 0.017 0.000 1.001 72 F HN 0.088 nan 8.300 nan 0.000 0.479 73 M N 0.336 119.925 119.600 -0.019 0.000 2.539 73 M HA -0.137 4.343 4.480 0.001 0.000 0.261 73 M C 1.536 177.714 176.300 -0.204 0.000 1.069 73 M CA 1.327 56.525 55.300 -0.170 0.000 1.081 73 M CB -1.093 31.425 32.600 -0.137 0.000 1.412 73 M HN 0.190 nan 8.290 nan 0.000 0.482 74 K N -0.533 119.766 120.400 -0.168 0.000 2.426 74 K HA 0.030 4.350 4.320 0.001 0.000 0.193 74 K C 1.547 178.047 176.600 -0.167 0.000 1.028 74 K CA 0.991 57.198 56.287 -0.134 0.000 1.047 74 K CB 0.087 32.537 32.500 -0.083 0.000 0.821 74 K HN 0.399 nan 8.250 nan 0.000 0.513 75 T N -1.845 112.547 114.554 -0.270 0.000 3.105 75 T HA 0.113 4.463 4.350 0.001 0.000 0.253 75 T C 0.556 175.077 174.700 -0.298 0.000 1.047 75 T CA -0.560 61.376 62.100 -0.272 0.000 0.944 75 T CB -0.326 68.358 68.868 -0.305 0.000 1.016 75 T HN -0.053 nan 8.240 nan 0.000 0.544 76 V N -0.073 119.665 119.914 -0.293 0.000 2.546 76 V HA 0.522 4.642 4.120 0.001 0.000 0.284 76 V C -0.309 175.726 176.094 -0.098 0.000 1.050 76 V CA -0.977 61.211 62.300 -0.186 0.000 0.981 76 V CB 1.089 32.834 31.823 -0.129 0.000 0.990 76 V HN 0.184 nan 8.190 nan 0.000 0.474 77 D N 4.178 124.533 120.400 -0.075 0.000 2.422 77 D HA 0.471 5.111 4.640 0.001 0.000 0.227 77 D C 1.036 177.337 176.300 0.000 0.000 1.190 77 D CA 0.294 54.261 54.000 -0.054 0.000 0.905 77 D CB 1.157 41.904 40.800 -0.087 0.000 1.034 77 D HN 0.877 nan 8.370 nan 0.000 0.507 78 A N 2.853 125.679 122.820 0.010 0.000 2.248 78 A HA -0.079 4.241 4.320 0.001 0.000 0.210 78 A C 1.913 179.517 177.584 0.033 0.000 1.174 78 A CA 1.246 53.308 52.037 0.043 0.000 0.750 78 A CB -0.322 18.694 19.000 0.027 0.000 0.780 78 A HN 0.529 nan 8.150 nan 0.000 0.478 79 S N -1.081 114.627 115.700 0.013 0.000 2.492 79 S HA 0.037 4.507 4.470 0.001 0.000 0.218 79 S C 0.503 175.108 174.600 0.007 0.000 1.016 79 S CA 0.247 58.452 58.200 0.008 0.000 0.916 79 S CB -0.216 62.983 63.200 -0.002 0.000 0.791 79 S HN 0.394 nan 8.310 nan 0.000 0.513 80 D N 3.880 124.283 120.400 0.004 0.000 2.371 80 D HA 0.229 4.870 4.640 0.001 0.000 0.256 80 D C -1.116 175.190 176.300 0.009 0.000 1.193 80 D CA -1.966 52.033 54.000 -0.000 0.000 0.881 80 D CB 1.514 42.300 40.800 -0.023 0.000 1.143 80 D HN 0.120 nan 8.370 nan 0.000 0.473 81 P HA -0.040 nan 4.420 nan 0.000 0.225 81 P C 0.884 178.169 177.300 -0.025 0.000 1.156 81 P CA 0.527 63.623 63.100 -0.008 0.000 0.787 81 P CB 0.396 32.091 31.700 -0.009 0.000 0.802 82 L N -0.769 120.446 121.223 -0.012 0.000 2.851 82 L HA 0.328 4.669 4.340 0.001 0.000 0.237 82 L C 2.020 178.894 176.870 0.007 0.000 1.257 82 L CA -0.208 54.621 54.840 -0.017 0.000 1.061 82 L CB -0.407 41.656 42.059 0.007 0.000 1.372 82 L HN -0.112 nan 8.230 nan 0.000 0.493 83 A N 0.478 123.292 122.820 -0.009 0.000 1.968 83 A HA -0.104 4.216 4.320 0.001 0.000 0.217 83 A C 2.321 179.888 177.584 -0.027 0.000 1.169 83 A CA 0.781 52.850 52.037 0.053 0.000 0.638 83 A CB -0.126 18.960 19.000 0.143 0.000 0.812 83 A HN 0.366 nan 8.150 nan 0.000 0.446 84 R N 0.434 120.713 120.500 -0.370 0.000 2.120 84 R HA -0.107 4.233 4.340 0.001 0.000 0.234 84 R C 1.596 177.814 176.300 -0.136 0.000 1.123 84 R CA 1.714 57.454 56.100 -0.600 0.000 0.975 84 R CB -0.797 29.172 30.300 -0.551 0.000 0.866 84 R HN 0.824 nan 8.270 nan 0.000 0.446 85 I N -3.429 117.040 120.570 -0.169 0.000 4.025 85 I HA 0.198 4.368 4.170 0.001 0.000 0.336 85 I C 1.792 177.773 176.117 -0.227 0.000 1.390 85 I CA -0.126 60.940 61.300 -0.391 0.000 1.099 85 I CB -0.192 37.544 38.000 -0.441 0.000 1.049 85 I HN -0.109 nan 8.210 nan 0.000 0.394 86 H N 2.648 121.670 119.070 -0.080 0.000 2.387 86 H HA -0.050 4.506 4.556 0.000 0.000 0.299 86 H C 2.293 177.655 175.328 0.057 0.000 1.099 86 H CA 2.176 58.228 56.048 0.007 0.000 1.315 86 H CB 0.271 30.083 29.762 0.083 0.000 1.380 86 H HN 0.451 nan 8.280 nan 0.000 0.513 87 A N 0.606 123.560 122.820 0.223 0.000 2.024 87 A HA -0.140 4.180 4.320 0.001 0.000 0.220 87 A C 2.416 180.042 177.584 0.071 0.000 1.164 87 A CA 1.297 53.491 52.037 0.262 0.000 0.643 87 A CB -0.921 18.309 19.000 0.384 0.000 0.806 87 A HN 0.550 nan 8.150 nan 0.000 0.451 88 L N -0.664 120.410 121.223 -0.248 0.000 2.261 88 L HA -0.219 4.122 4.340 0.001 0.000 0.216 88 L C 2.401 179.203 176.870 -0.114 0.000 1.114 88 L CA 1.959 56.502 54.840 -0.495 0.000 0.777 88 L CB -0.184 41.579 42.059 -0.494 0.000 0.910 88 L HN 0.693 nan 8.230 nan 0.000 0.440 89 K N -1.491 118.866 120.400 -0.072 0.000 2.353 89 K HA 0.045 4.365 4.320 0.001 0.000 0.195 89 K C 1.558 178.204 176.600 0.077 0.000 1.031 89 K CA 0.665 56.945 56.287 -0.012 0.000 1.079 89 K CB 0.054 32.463 32.500 -0.152 0.000 0.857 89 K HN 0.097 nan 8.250 nan 0.000 0.535 90 S N 0.203 115.995 115.700 0.153 0.000 2.795 90 S HA 0.094 4.564 4.470 0.001 0.000 0.236 90 S C 1.121 175.848 174.600 0.212 0.000 0.973 90 S CA 0.258 58.579 58.200 0.202 0.000 0.982 90 S CB -0.085 63.282 63.200 0.279 0.000 0.786 90 S HN 0.437 nan 8.310 nan 0.000 0.538 91 A N -1.009 121.949 122.820 0.231 0.000 2.699 91 A HA 0.668 4.989 4.320 0.001 0.000 0.242 91 A C 0.910 178.596 177.584 0.170 0.000 1.142 91 A CA 0.174 52.321 52.037 0.182 0.000 1.008 91 A CB -0.113 18.988 19.000 0.168 0.000 1.232 91 A HN 1.687 nan 8.150 nan 0.000 0.574 92 G N -0.188 108.706 108.800 0.157 0.000 2.472 92 G HA2 0.101 4.061 3.960 0.001 0.000 0.205 92 G HA3 0.101 4.061 3.960 0.001 0.000 0.205 92 G C -1.057 173.902 174.900 0.098 0.000 1.270 92 G CA -0.031 45.130 45.100 0.102 0.000 0.974 92 G HN 0.484 nan 8.290 nan 0.000 0.542 93 D N 0.132 120.540 120.400 0.014 0.000 2.193 93 D HA 0.732 5.372 4.640 0.001 0.000 0.249 93 D C 0.171 176.456 176.300 -0.026 0.000 1.034 93 D CA -0.150 53.760 54.000 -0.149 0.000 0.902 93 D CB 0.788 41.495 40.800 -0.155 0.000 1.182 93 D HN 0.573 nan 8.370 nan 0.000 0.436 94 F N -0.549 119.351 119.950 -0.082 0.000 2.640 94 F HA 0.530 5.057 4.527 0.000 0.000 0.324 94 F C 0.528 176.248 175.800 -0.134 0.000 1.077 94 F CA -0.890 57.046 58.000 -0.106 0.000 0.965 94 F CB 0.946 39.855 39.000 -0.151 0.000 1.351 94 F HN 0.137 nan 8.300 nan 0.000 0.487 95 D N 0.108 120.590 120.400 0.136 0.000 2.323 95 D HA 0.252 4.892 4.640 0.001 0.000 0.218 95 D C -0.246 176.084 176.300 0.051 0.000 0.973 95 D CA 0.826 54.881 54.000 0.092 0.000 0.890 95 D CB 1.062 41.980 40.800 0.197 0.000 1.011 95 D HN 0.463 nan 8.370 nan 0.000 0.499 96 I N -0.802 119.753 120.570 -0.025 0.000 3.006 96 I HA 0.351 4.521 4.170 0.001 0.000 0.306 96 I C -1.498 174.444 176.117 -0.291 0.000 1.250 96 I CA -0.969 60.193 61.300 -0.230 0.000 0.996 96 I CB 1.956 39.645 38.000 -0.517 0.000 1.261 96 I HN -0.287 nan 8.210 nan 0.000 0.442 97 F N 5.202 124.987 119.950 -0.274 0.000 2.399 97 F HA 0.444 4.971 4.527 0.001 0.000 0.334 97 F C -0.575 175.074 175.800 -0.251 0.000 1.097 97 F CA -0.203 57.567 58.000 -0.384 0.000 1.076 97 F CB 1.455 39.858 39.000 -0.996 0.000 1.162 97 F HN 0.192 nan 8.300 nan 0.000 0.495 98 F N 5.844 125.750 119.950 -0.074 0.000 2.691 98 F HA 0.400 4.928 4.527 0.001 0.000 0.371 98 F C -2.507 173.241 175.800 -0.086 0.000 1.159 98 F CA -2.984 54.930 58.000 -0.143 0.000 1.174 98 F CB 0.895 39.752 39.000 -0.238 0.000 1.419 98 F HN 0.131 nan 8.300 nan 0.000 0.514 99 P HA 0.145 nan 4.420 nan 0.000 0.282 99 P C -0.272 177.025 177.300 -0.006 0.000 1.274 99 P CA 0.114 63.271 63.100 0.096 0.000 0.770 99 P CB 1.966 33.740 31.700 0.123 0.000 0.867 100 V N 4.030 123.949 119.914 0.008 0.000 2.909 100 V HA 0.054 4.175 4.120 0.001 0.000 0.362 100 V C 0.705 176.677 176.094 -0.203 0.000 1.356 100 V CA -0.468 61.787 62.300 -0.075 0.000 1.195 100 V CB 1.132 32.979 31.823 0.040 0.000 1.256 100 V HN 0.482 nan 8.190 nan 0.000 0.567 101 V N 0.379 120.187 119.914 -0.176 0.000 2.333 101 V HA 0.557 4.678 4.120 0.001 0.000 0.274 101 V C 0.002 175.980 176.094 -0.193 0.000 1.028 101 V CA -0.181 62.000 62.300 -0.198 0.000 0.851 101 V CB 0.674 32.401 31.823 -0.160 0.000 1.000 101 V HN 0.482 nan 8.190 nan 0.000 0.456 102 H N 4.731 123.813 119.070 0.019 0.000 2.582 102 H HA 0.670 5.227 4.556 0.001 0.000 0.345 102 H C 0.987 176.317 175.328 0.004 0.000 1.104 102 H CA 0.772 56.838 56.048 0.030 0.000 1.390 102 H CB 1.506 31.309 29.762 0.068 0.000 1.461 102 H HN 1.290 nan 8.280 nan 0.000 0.551 103 G N 2.602 111.478 108.800 0.127 0.000 2.603 103 G HA2 -0.357 3.603 3.960 0.001 0.000 0.245 103 G HA3 -0.357 3.603 3.960 0.001 0.000 0.245 103 G C 1.200 175.949 174.900 -0.252 0.000 1.195 103 G CA 0.250 45.380 45.100 0.051 0.000 0.953 103 G HN 0.647 nan 8.290 nan 0.000 0.566 104 N N 0.407 119.047 118.700 -0.100 0.000 2.258 104 N HA -0.085 4.656 4.740 0.001 0.000 0.187 104 N C 2.172 177.551 175.510 -0.218 0.000 1.012 104 N CA 1.924 54.891 53.050 -0.139 0.000 0.870 104 N CB -0.118 38.370 38.487 0.002 0.000 0.977 104 N HN 0.565 nan 8.380 nan 0.000 0.434 105 L N -1.684 119.406 121.223 -0.221 0.000 2.547 105 L HA 0.264 4.604 4.340 0.001 0.000 0.218 105 L C 2.405 179.075 176.870 -0.332 0.000 1.048 105 L CA 0.412 55.103 54.840 -0.247 0.000 0.859 105 L CB -0.051 41.891 42.059 -0.195 0.000 1.128 105 L HN 0.045 nan 8.230 nan 0.000 0.483 106 G N -0.447 108.168 108.800 -0.310 0.000 2.492 106 G HA2 -0.093 3.867 3.960 0.001 0.000 0.214 106 G HA3 -0.093 3.867 3.960 0.001 0.000 0.214 106 G C 1.236 175.876 174.900 -0.432 0.000 1.147 106 G CA 0.120 45.009 45.100 -0.353 0.000 0.809 106 G HN 0.273 nan 8.290 nan 0.000 0.533 107 E N 0.621 120.616 120.200 -0.341 0.000 2.474 107 E HA 0.003 4.353 4.350 0.001 0.000 0.195 107 E C 1.000 177.382 176.600 -0.364 0.000 1.039 107 E CA 0.371 56.661 56.400 -0.183 0.000 0.881 107 E CB 0.360 30.009 29.700 -0.085 0.000 0.970 107 E HN 0.545 nan 8.360 nan 0.000 0.486 108 D N -0.964 119.106 120.400 -0.550 0.000 2.369 108 D HA 0.050 4.690 4.640 0.001 0.000 0.211 108 D C 1.359 177.538 176.300 -0.201 0.000 1.077 108 D CA 0.699 54.467 54.000 -0.387 0.000 0.842 108 D CB 0.631 41.163 40.800 -0.446 0.000 0.947 108 D HN 0.164 nan 8.370 nan 0.000 0.509 109 G N -0.080 108.540 108.800 -0.301 0.000 2.254 109 G HA2 -0.365 3.596 3.960 0.001 0.000 0.225 109 G HA3 -0.365 3.596 3.960 0.001 0.000 0.225 109 G C 1.300 175.983 174.900 -0.361 0.000 1.003 109 G CA 0.524 45.449 45.100 -0.292 0.000 0.622 109 G HN 0.328 nan 8.290 nan 0.000 0.507 110 T N 1.568 115.922 114.554 -0.333 0.000 2.570 110 T HA -0.150 4.201 4.350 0.001 0.000 0.266 110 T C 2.437 176.864 174.700 -0.454 0.000 1.071 110 T CA 1.712 63.621 62.100 -0.318 0.000 1.172 110 T CB -0.330 68.390 68.868 -0.246 0.000 0.864 110 T HN 0.347 nan 8.240 nan 0.000 0.421 111 L N 0.509 121.376 121.223 -0.593 0.000 2.131 111 L HA -0.154 4.187 4.340 0.001 0.000 0.210 111 L C 2.788 178.720 176.870 -1.563 0.000 1.092 111 L CA 1.214 55.490 54.840 -0.939 0.000 0.759 111 L CB -0.510 41.022 42.059 -0.879 0.000 0.903 111 L HN 0.254 nan 8.230 nan 0.000 0.435 112 Q N -0.342 118.737 119.800 -1.202 0.000 2.291 112 Q HA -0.074 4.266 4.340 0.001 0.000 0.205 112 Q C 2.201 177.807 176.000 -0.657 0.000 0.970 112 Q CA 1.236 56.395 55.803 -1.074 0.000 0.876 112 Q CB -0.443 27.869 28.738 -0.709 0.000 0.935 112 Q HN 0.490 nan 8.270 nan 0.000 0.455 113 G N 0.330 108.825 108.800 -0.508 0.000 2.394 113 G HA2 -0.205 3.756 3.960 0.001 0.000 0.214 113 G HA3 -0.205 3.756 3.960 0.001 0.000 0.214 113 G C 1.303 176.043 174.900 -0.266 0.000 1.176 113 G CA 0.525 45.447 45.100 -0.296 0.000 0.786 113 G HN 0.346 nan 8.290 nan 0.000 0.533 114 L N -0.104 120.903 121.223 -0.361 0.000 2.046 114 L HA 0.101 4.441 4.340 0.001 0.000 0.208 114 L C 2.455 179.268 176.870 -0.096 0.000 1.077 114 L CA 1.471 56.170 54.840 -0.235 0.000 0.747 114 L CB -0.534 41.362 42.059 -0.271 0.000 0.896 114 L HN 0.135 nan 8.230 nan 0.000 0.432 115 F N 0.383 120.102 119.950 -0.385 0.000 2.161 115 F HA -0.188 4.339 4.527 0.001 0.000 0.300 115 F C 2.569 178.342 175.800 -0.045 0.000 1.089 115 F CA 1.498 59.288 58.000 -0.349 0.000 1.282 115 F CB -1.251 37.367 39.000 -0.636 0.000 1.010 115 F HN 0.207 nan 8.300 nan 0.000 0.485 116 K N -0.023 120.442 120.400 0.108 0.000 2.097 116 K HA -0.119 4.201 4.320 0.001 0.000 0.205 116 K C 1.970 178.646 176.600 0.127 0.000 1.050 116 K CA 0.708 57.091 56.287 0.161 0.000 0.938 116 K CB -0.200 32.349 32.500 0.083 0.000 0.718 116 K HN 0.018 nan 8.250 nan 0.000 0.442 117 L N 0.604 121.864 121.223 0.062 0.000 2.093 117 L HA -0.072 4.268 4.340 0.001 0.000 0.208 117 L C 1.654 178.567 176.870 0.071 0.000 1.085 117 L CA 1.395 56.262 54.840 0.045 0.000 0.755 117 L CB -0.691 41.367 42.059 -0.001 0.000 0.904 117 L HN 0.213 nan 8.230 nan 0.000 0.435 118 L N -0.620 120.666 121.223 0.104 0.000 2.599 118 L HA 0.019 4.359 4.340 0.001 0.000 0.230 118 L C 0.428 177.379 176.870 0.136 0.000 1.141 118 L CA 0.278 55.182 54.840 0.106 0.000 0.877 118 L CB -1.152 40.999 42.059 0.154 0.000 1.009 118 L HN 0.278 nan 8.230 nan 0.000 0.447 119 D N 0.593 121.112 120.400 0.199 0.000 2.697 119 D HA -0.241 4.399 4.640 0.001 0.000 0.235 119 D C 0.150 176.631 176.300 0.301 0.000 1.167 119 D CA 0.816 54.993 54.000 0.295 0.000 0.656 119 D CB -0.447 40.498 40.800 0.242 0.000 1.025 119 D HN 0.309 nan 8.370 nan 0.000 0.419 120 K N 0.550 121.104 120.400 0.258 0.000 2.328 120 K HA 0.543 4.864 4.320 0.001 0.000 0.246 120 K C -2.322 174.255 176.600 -0.038 0.000 0.955 120 K CA -1.876 54.403 56.287 -0.013 0.000 0.817 120 K CB 2.106 34.658 32.500 0.087 0.000 1.208 120 K HN -0.029 nan 8.250 nan 0.000 0.432 121 P HA 0.046 nan 4.420 nan 0.000 0.273 121 P C -1.379 175.891 177.300 -0.049 0.000 1.250 121 P CA 0.089 62.965 63.100 -0.373 0.000 0.793 121 P CB 0.256 31.620 31.700 -0.559 0.000 1.011 122 Y N -3.347 116.877 120.300 -0.126 0.000 2.604 122 Y HA 0.512 5.062 4.550 0.000 0.000 0.331 122 Y C -1.298 174.502 175.900 -0.166 0.000 1.158 122 Y CA -1.526 56.486 58.100 -0.147 0.000 1.056 122 Y CB 0.248 38.687 38.460 -0.035 0.000 1.330 122 Y HN 0.032 nan 8.280 nan 0.000 0.457 123 V N 3.260 123.102 119.914 -0.121 0.000 2.546 123 V HA 0.779 4.899 4.120 0.001 0.000 0.284 123 V C 0.708 176.761 176.094 -0.068 0.000 1.050 123 V CA 0.825 62.960 62.300 -0.274 0.000 0.981 123 V CB 0.429 31.790 31.823 -0.770 0.000 0.990 123 V HN 1.538 nan 8.190 nan 0.000 0.474 124 G N 3.387 112.167 108.800 -0.033 0.000 2.525 124 G HA2 0.345 4.306 3.960 0.001 0.000 0.685 124 G HA3 0.345 4.306 3.960 0.001 0.000 0.685 124 G C -0.255 174.751 174.900 0.176 0.000 1.290 124 G CA -0.343 44.804 45.100 0.078 0.000 0.915 124 G HN 1.413 nan 8.290 nan 0.000 0.548 125 A N 1.315 124.209 122.820 0.123 0.000 2.406 125 A HA 0.735 5.056 4.320 0.001 0.000 0.243 125 A C -0.987 176.791 177.584 0.324 0.000 1.082 125 A CA 0.067 52.126 52.037 0.037 0.000 0.786 125 A CB -0.090 18.701 19.000 -0.350 0.000 1.029 125 A HN 0.849 nan 8.150 nan 0.000 0.495 126 P HA 0.085 nan 4.420 nan 0.000 0.274 126 P C 1.157 178.583 177.300 0.211 0.000 1.256 126 P CA -0.537 62.733 63.100 0.283 0.000 0.795 126 P CB 0.695 32.494 31.700 0.165 0.000 1.038 127 L N 1.450 122.730 121.223 0.095 0.000 1.997 127 L HA -0.268 4.072 4.340 0.001 0.000 0.216 127 L C 2.914 179.811 176.870 0.045 0.000 1.074 127 L CA 2.179 57.023 54.840 0.007 0.000 0.763 127 L CB -0.478 41.547 42.059 -0.057 0.000 0.890 127 L HN 0.383 nan 8.230 nan 0.000 0.434 128 R N -0.528 119.994 120.500 0.036 0.000 2.096 128 R HA -0.094 4.247 4.340 0.001 0.000 0.235 128 R C 2.119 178.429 176.300 0.018 0.000 1.127 128 R CA 1.278 57.392 56.100 0.023 0.000 0.968 128 R CB -1.397 28.911 30.300 0.012 0.000 0.861 128 R HN 0.443 nan 8.270 nan 0.000 0.440 129 G N 1.201 110.002 108.800 0.002 0.000 2.511 129 G HA2 -0.302 3.659 3.960 0.001 0.000 0.216 129 G HA3 -0.302 3.659 3.960 0.001 0.000 0.216 129 G C 0.847 175.708 174.900 -0.066 0.000 1.218 129 G CA 1.333 46.386 45.100 -0.077 0.000 0.788 129 G HN 0.437 nan 8.290 nan 0.000 0.560 130 H N 0.850 119.894 119.070 -0.043 0.000 2.353 130 H HA 0.056 4.612 4.556 0.001 0.000 0.298 130 H C 2.889 178.223 175.328 0.011 0.000 1.103 130 H CA 1.593 57.621 56.048 -0.034 0.000 1.293 130 H CB -0.220 29.483 29.762 -0.099 0.000 1.372 130 H HN 0.414 nan 8.280 nan 0.000 0.501 131 A N 0.186 123.081 122.820 0.125 0.000 1.873 131 A HA -0.183 4.138 4.320 0.001 0.000 0.218 131 A C 2.620 180.267 177.584 0.106 0.000 1.193 131 A CA 2.019 54.112 52.037 0.094 0.000 0.629 131 A CB -1.012 18.016 19.000 0.046 0.000 0.826 131 A HN 0.296 nan 8.150 nan 0.000 0.447 132 V N -0.333 119.619 119.914 0.063 0.000 2.548 132 V HA -0.136 3.985 4.120 0.001 0.000 0.249 132 V C 2.634 178.751 176.094 0.038 0.000 1.055 132 V CA 2.220 64.543 62.300 0.040 0.000 1.065 132 V CB -0.207 31.623 31.823 0.011 0.000 0.681 132 V HN 0.572 nan 8.190 nan 0.000 0.462 133 S N -0.855 114.872 115.700 0.045 0.000 2.461 133 S HA -0.026 4.445 4.470 0.001 0.000 0.228 133 S C 1.587 176.253 174.600 0.109 0.000 1.005 133 S CA 0.806 59.029 58.200 0.037 0.000 0.942 133 S CB -0.197 62.997 63.200 -0.011 0.000 0.776 133 S HN 0.610 nan 8.310 nan 0.000 0.514 134 F N 2.387 122.333 119.950 -0.007 0.000 2.387 134 F HA 0.199 4.726 4.527 0.001 0.000 0.294 134 F C 0.723 176.520 175.800 -0.006 0.000 1.093 134 F CA 0.263 58.266 58.000 0.004 0.000 1.420 134 F CB 0.115 39.131 39.000 0.026 0.000 1.086 134 F HN -0.004 nan 8.300 nan 0.000 0.531 135 D N 1.079 121.496 120.400 0.029 0.000 2.344 135 D HA 0.026 4.667 4.640 0.001 0.000 0.253 135 D C 1.091 177.333 176.300 -0.096 0.000 1.255 135 D CA 0.134 54.102 54.000 -0.052 0.000 0.894 135 D CB 1.344 42.162 40.800 0.029 0.000 1.067 135 D HN -0.042 nan 8.370 nan 0.000 0.492 136 K N 2.970 123.269 120.400 -0.169 0.000 2.113 136 K HA -0.144 4.176 4.320 0.001 0.000 0.208 136 K C 1.703 178.206 176.600 -0.162 0.000 1.047 136 K CA 1.549 57.729 56.287 -0.178 0.000 0.928 136 K CB -0.176 32.202 32.500 -0.202 0.000 0.716 136 K HN 0.489 nan 8.250 nan 0.000 0.446 137 A N -0.364 122.398 122.820 -0.096 0.000 1.929 137 A HA -0.060 4.260 4.320 0.001 0.000 0.216 137 A C 1.956 179.542 177.584 0.002 0.000 1.176 137 A CA 0.940 52.958 52.037 -0.032 0.000 0.628 137 A CB -0.403 18.626 19.000 0.048 0.000 0.816 137 A HN 0.192 nan 8.150 nan 0.000 0.444 138 L N -0.216 121.008 121.223 0.000 0.000 2.093 138 L HA -0.079 4.261 4.340 0.001 0.000 0.208 138 L C 2.634 179.502 176.870 -0.003 0.000 1.085 138 L CA 2.278 57.128 54.840 0.016 0.000 0.755 138 L CB -1.115 40.958 42.059 0.023 0.000 0.904 138 L HN 0.369 nan 8.230 nan 0.000 0.435 139 T N -0.685 113.848 114.554 -0.036 0.000 2.622 139 T HA -0.230 4.120 4.350 0.001 0.000 0.266 139 T C 1.882 176.545 174.700 -0.060 0.000 1.047 139 T CA 1.543 63.611 62.100 -0.052 0.000 1.159 139 T CB -0.110 68.709 68.868 -0.082 0.000 0.863 139 T HN 0.251 nan 8.240 nan 0.000 0.422 140 K N 0.747 121.079 120.400 -0.115 0.000 2.280 140 K HA -0.064 4.256 4.320 0.001 0.000 0.202 140 K C 2.356 178.973 176.600 0.028 0.000 1.047 140 K CA 0.973 57.183 56.287 -0.128 0.000 0.942 140 K CB -0.021 32.205 32.500 -0.457 0.000 0.739 140 K HN 0.476 nan 8.250 nan 0.000 0.457 141 E N 0.215 120.451 120.200 0.059 0.000 2.072 141 E HA -0.115 4.236 4.350 0.001 0.000 0.190 141 E C 1.664 178.299 176.600 0.058 0.000 0.982 141 E CA 0.592 57.050 56.400 0.096 0.000 0.803 141 E CB 0.137 29.889 29.700 0.086 0.000 0.755 141 E HN 0.078 nan 8.360 nan 0.000 0.453 142 L N 0.734 121.976 121.223 0.033 0.000 2.141 142 L HA -0.105 4.235 4.340 0.001 0.000 0.209 142 L C 2.150 179.034 176.870 0.024 0.000 1.094 142 L CA 1.323 56.177 54.840 0.024 0.000 0.763 142 L CB -0.852 41.214 42.059 0.012 0.000 0.908 142 L HN 0.192 nan 8.230 nan 0.000 0.437 143 L N -1.426 119.808 121.223 0.020 0.000 2.044 143 L HA -0.152 4.189 4.340 0.001 0.000 0.205 143 L C 2.391 179.285 176.870 0.039 0.000 1.075 143 L CA 1.200 56.053 54.840 0.021 0.000 0.747 143 L CB -0.941 41.118 42.059 0.001 0.000 0.903 143 L HN 0.183 nan 8.230 nan 0.000 0.435 144 T N -0.505 114.084 114.554 0.059 0.000 2.720 144 T HA -0.200 4.151 4.350 0.001 0.000 0.268 144 T C 1.827 176.558 174.700 0.052 0.000 1.037 144 T CA 1.440 63.582 62.100 0.071 0.000 1.144 144 T CB -0.260 68.674 68.868 0.109 0.000 0.864 144 T HN 0.117 nan 8.240 nan 0.000 0.444 145 V N 2.029 121.971 119.914 0.047 0.000 3.078 145 V HA -0.005 4.115 4.120 0.001 0.000 0.265 145 V C 1.393 177.506 176.094 0.031 0.000 1.122 145 V CA 1.273 63.595 62.300 0.037 0.000 1.141 145 V CB -0.497 31.347 31.823 0.034 0.000 0.735 145 V HN 0.458 nan 8.190 nan 0.000 0.498 146 N N -0.003 118.716 118.700 0.032 0.000 2.203 146 N HA 0.170 4.910 4.740 0.001 0.000 0.207 146 N C 1.277 176.804 175.510 0.029 0.000 1.130 146 N CA 0.826 53.894 53.050 0.029 0.000 0.861 146 N CB 1.049 39.554 38.487 0.030 0.000 1.005 146 N HN 0.556 nan 8.380 nan 0.000 0.507 147 G N 1.632 110.450 108.800 0.030 0.000 2.160 147 G HA2 -0.257 3.703 3.960 0.001 0.000 0.251 147 G HA3 -0.257 3.703 3.960 0.001 0.000 0.251 147 G C 0.013 174.928 174.900 0.025 0.000 1.008 147 G CA -0.141 44.974 45.100 0.025 0.000 0.724 147 G HN 0.308 nan 8.290 nan 0.000 0.514 148 I N 0.595 121.184 120.570 0.031 0.000 2.325 148 I HA 0.262 4.432 4.170 0.001 0.000 0.291 148 I C 1.193 177.329 176.117 0.031 0.000 1.019 148 I CA -0.824 60.497 61.300 0.034 0.000 1.302 148 I CB 1.092 39.115 38.000 0.039 0.000 1.401 148 I HN 0.118 nan 8.210 nan 0.000 0.485 149 R N 6.065 126.572 120.500 0.012 0.000 2.484 149 R HA 0.093 4.434 4.340 0.001 0.000 0.293 149 R C -0.756 175.582 176.300 0.063 0.000 1.023 149 R CA 0.238 56.331 56.100 -0.012 0.000 1.037 149 R CB 0.238 30.434 30.300 -0.173 0.000 0.951 149 R HN 0.894 nan 8.270 nan 0.000 0.418 150 N N 0.167 118.961 118.700 0.157 0.000 2.484 150 N HA 0.151 4.891 4.740 0.001 0.000 0.269 150 N C -1.248 174.429 175.510 0.279 0.000 1.237 150 N CA -0.985 52.187 53.050 0.203 0.000 0.838 150 N CB 1.388 39.904 38.487 0.048 0.000 1.593 150 N HN 0.443 nan 8.380 nan 0.000 0.485 151 T N -1.585 113.074 114.554 0.174 0.000 2.908 151 T HA -0.013 4.338 4.350 0.001 0.000 0.325 151 T C 0.271 175.082 174.700 0.185 0.000 1.092 151 T CA -0.284 61.857 62.100 0.069 0.000 1.125 151 T CB 0.407 69.229 68.868 -0.076 0.000 1.016 151 T HN 0.657 nan 8.240 nan 0.000 0.550 152 K N 1.815 122.296 120.400 0.134 0.000 2.350 152 K HA 0.379 4.699 4.320 0.001 0.000 0.279 152 K C -0.795 175.916 176.600 0.185 0.000 1.027 152 K CA -0.659 55.709 56.287 0.134 0.000 0.969 152 K CB 0.194 32.716 32.500 0.037 0.000 0.954 152 K HN 0.799 nan 8.250 nan 0.000 0.474 153 Y N 1.455 121.714 120.300 -0.068 0.000 2.713 153 Y HA 0.514 5.064 4.550 0.001 0.000 0.335 153 Y C -1.410 174.405 175.900 -0.141 0.000 1.222 153 Y CA -1.639 56.399 58.100 -0.104 0.000 1.061 153 Y CB 0.685 39.096 38.460 -0.083 0.000 1.314 153 Y HN 0.461 nan 8.280 nan 0.000 0.453 154 I N 0.565 120.979 120.570 -0.260 0.000 2.686 154 I HA 0.847 5.017 4.170 0.001 0.000 0.295 154 I C -1.800 174.240 176.117 -0.129 0.000 1.114 154 I CA -1.309 59.762 61.300 -0.382 0.000 1.038 154 I CB 2.228 39.826 38.000 -0.671 0.000 1.238 154 I HN 0.705 nan 8.210 nan 0.000 0.420 155 V N 7.062 126.936 119.914 -0.066 0.000 2.459 155 V HA 0.806 4.926 4.120 0.001 0.000 0.295 155 V C -0.371 175.754 176.094 0.053 0.000 1.029 155 V CA -0.146 62.184 62.300 0.050 0.000 0.874 155 V CB 1.652 33.557 31.823 0.137 0.000 0.985 155 V HN 0.787 nan 8.190 nan 0.000 0.438 156 V N 3.365 123.336 119.914 0.095 0.000 3.141 156 V HA 0.912 5.032 4.120 0.001 0.000 0.312 156 V C -0.940 175.350 176.094 0.326 0.000 1.157 156 V CA -0.583 61.835 62.300 0.196 0.000 1.041 156 V CB 2.127 34.085 31.823 0.226 0.000 1.071 156 V HN 0.961 nan 8.190 nan 0.000 0.441 157 D N -0.553 120.059 120.400 0.352 0.000 2.553 157 D HA 0.643 5.283 4.640 0.001 0.000 0.249 157 D C -2.105 174.263 176.300 0.113 0.000 1.062 157 D CA -1.793 52.426 54.000 0.365 0.000 1.085 157 D CB 1.253 42.176 40.800 0.204 0.000 1.350 157 D HN 0.354 nan 8.370 nan 0.000 0.575 158 P HA -0.201 nan 4.420 nan 0.000 0.217 158 P C 0.535 177.718 177.300 -0.195 0.000 1.148 158 P CA 1.495 64.218 63.100 -0.628 0.000 0.828 158 P CB 0.300 31.646 31.700 -0.589 0.000 0.783 159 E N -0.167 119.991 120.200 -0.071 0.000 2.060 159 E HA -0.067 4.284 4.350 0.001 0.000 0.189 159 E C 2.382 179.018 176.600 0.061 0.000 0.974 159 E CA 1.088 57.483 56.400 -0.008 0.000 0.808 159 E CB -0.968 28.730 29.700 -0.002 0.000 0.768 159 E HN 0.111 nan 8.360 nan 0.000 0.453 160 S N 0.246 116.012 115.700 0.110 0.000 2.419 160 S HA -0.152 4.319 4.470 0.001 0.000 0.233 160 S C 2.029 176.805 174.600 0.293 0.000 1.016 160 S CA 1.060 59.376 58.200 0.193 0.000 0.974 160 S CB -0.283 63.045 63.200 0.213 0.000 0.786 160 S HN 0.325 nan 8.310 nan 0.000 0.492 161 A N 1.980 124.963 122.820 0.272 0.000 2.019 161 A HA -0.072 4.248 4.320 0.001 0.000 0.219 161 A C 1.849 179.614 177.584 0.301 0.000 1.164 161 A CA 1.513 53.753 52.037 0.337 0.000 0.644 161 A CB -0.616 18.591 19.000 0.346 0.000 0.805 161 A HN 0.650 nan 8.150 nan 0.000 0.449 162 N N 0.312 119.126 118.700 0.189 0.000 2.521 162 N HA -0.045 4.695 4.740 0.001 0.000 0.188 162 N C 0.894 176.480 175.510 0.127 0.000 1.146 162 N CA 0.691 53.826 53.050 0.142 0.000 0.893 162 N CB -0.426 38.105 38.487 0.074 0.000 0.975 162 N HN 0.685 nan 8.380 nan 0.000 0.451 163 N N -0.897 117.884 118.700 0.136 0.000 2.405 163 N HA -0.012 4.729 4.740 0.001 0.000 0.175 163 N C -0.376 175.050 175.510 -0.140 0.000 1.051 163 N CA 0.120 53.148 53.050 -0.037 0.000 0.899 163 N CB 0.173 38.588 38.487 -0.120 0.000 1.000 163 N HN 0.176 nan 8.380 nan 0.000 0.451 164 W N 3.208 124.595 121.300 0.144 0.000 2.120 164 W HA 0.249 4.909 4.660 0.001 0.000 0.371 164 W C 0.235 176.905 176.519 0.252 0.000 0.865 164 W CA -0.694 56.751 57.345 0.167 0.000 1.529 164 W CB 0.068 29.645 29.460 0.194 0.000 1.623 164 W HN -0.121 nan 8.180 nan 0.000 0.325 165 S N 0.641 116.516 115.700 0.292 0.000 2.593 165 S HA -0.038 4.432 4.470 0.001 0.000 0.269 165 S C 1.190 175.970 174.600 0.301 0.000 1.334 165 S CA -0.766 57.621 58.200 0.312 0.000 1.015 165 S CB 0.973 64.276 63.200 0.171 0.000 0.912 165 S HN 0.678 nan 8.310 nan 0.000 0.541 166 W N 2.763 124.111 121.300 0.080 0.000 2.304 166 W HA -0.271 4.389 4.660 0.001 0.000 0.315 166 W C 1.628 178.099 176.519 -0.081 0.000 1.233 166 W CA 2.173 59.443 57.345 -0.125 0.000 1.261 166 W CB -0.371 29.071 29.460 -0.029 0.000 1.150 166 W HN 0.995 nan 8.180 nan 0.000 0.494 167 D N 0.275 120.653 120.400 -0.038 0.000 2.149 167 D HA -0.251 4.389 4.640 0.001 0.000 0.198 167 D C 1.685 177.883 176.300 -0.170 0.000 0.990 167 D CA 1.326 55.228 54.000 -0.162 0.000 0.839 167 D CB -0.884 39.890 40.800 -0.044 0.000 0.948 167 D HN 0.233 nan 8.370 nan 0.000 0.460 168 K N -0.137 120.225 120.400 -0.065 0.000 2.148 168 K HA -0.028 4.293 4.320 0.001 0.000 0.204 168 K C 2.304 178.961 176.600 0.095 0.000 1.050 168 K CA 0.264 56.549 56.287 -0.002 0.000 0.942 168 K CB 0.164 32.654 32.500 -0.016 0.000 0.724 168 K HN 0.252 nan 8.250 nan 0.000 0.446 169 I N 0.767 121.325 120.570 -0.021 0.000 2.233 169 I HA -0.188 3.982 4.170 0.001 0.000 0.243 169 I C 2.396 178.292 176.117 -0.370 0.000 1.093 169 I CA 0.978 62.185 61.300 -0.155 0.000 1.380 169 I CB -1.018 36.762 38.000 -0.366 0.000 1.067 169 I HN -0.150 nan 8.210 nan 0.000 0.413 170 V N 1.577 121.091 119.914 -0.668 0.000 2.392 170 V HA -0.254 3.866 4.120 0.001 0.000 0.249 170 V C 2.723 178.635 176.094 -0.304 0.000 1.059 170 V CA 1.827 63.757 62.300 -0.615 0.000 1.051 170 V CB -1.112 30.251 31.823 -0.766 0.000 0.658 170 V HN 0.469 nan 8.190 nan 0.000 0.455 171 A N -1.487 121.205 122.820 -0.214 0.000 2.119 171 A HA -0.111 4.209 4.320 0.001 0.000 0.217 171 A C 2.227 179.775 177.584 -0.060 0.000 1.153 171 A CA 1.225 53.194 52.037 -0.113 0.000 0.692 171 A CB -0.204 18.747 19.000 -0.081 0.000 0.799 171 A HN 0.504 nan 8.150 nan 0.000 0.458 172 E N -1.086 119.088 120.200 -0.043 0.000 2.340 172 E HA 0.209 4.559 4.350 0.001 0.000 0.198 172 E C 0.973 177.539 176.600 -0.057 0.000 0.961 172 E CA 0.552 56.953 56.400 0.002 0.000 0.905 172 E CB 0.355 30.131 29.700 0.126 0.000 0.884 172 E HN 0.637 nan 8.360 nan 0.000 0.491 173 L N -1.454 119.705 121.223 -0.106 0.000 3.327 173 L HA 0.349 4.689 4.340 0.001 0.000 0.299 173 L C 0.651 177.456 176.870 -0.108 0.000 1.201 173 L CA 0.100 54.880 54.840 -0.100 0.000 1.059 173 L CB 1.387 43.383 42.059 -0.104 0.000 1.488 173 L HN 0.027 nan 8.230 nan 0.000 0.609 174 G N 1.789 110.497 108.800 -0.153 0.000 2.663 174 G HA2 -0.233 3.727 3.960 0.001 0.000 0.686 174 G HA3 -0.233 3.727 3.960 0.001 0.000 0.686 174 G C -0.112 174.674 174.900 -0.190 0.000 1.288 174 G CA -0.102 44.912 45.100 -0.142 0.000 0.836 174 G HN 0.398 nan 8.290 nan 0.000 0.584 175 N N -0.852 117.769 118.700 -0.132 0.000 2.575 175 N HA 0.216 4.956 4.740 0.001 0.000 0.192 175 N C 0.643 176.205 175.510 0.086 0.000 1.200 175 N CA 0.833 53.847 53.050 -0.059 0.000 0.897 175 N CB 0.275 38.766 38.487 0.006 0.000 0.990 175 N HN 0.669 nan 8.380 nan 0.000 0.449 176 I N 0.269 120.856 120.570 0.029 0.000 2.468 176 I HA 0.367 4.537 4.170 0.001 0.000 0.284 176 I C -1.062 175.058 176.117 0.005 0.000 1.038 176 I CA -1.044 60.269 61.300 0.022 0.000 1.083 176 I CB 1.968 39.967 38.000 -0.002 0.000 1.223 176 I HN -0.164 nan 8.210 nan 0.000 0.443 177 V N 6.718 126.623 119.914 -0.015 0.000 3.130 177 V HA 0.567 4.687 4.120 0.001 0.000 0.310 177 V C -1.547 174.453 176.094 -0.157 0.000 1.158 177 V CA -0.529 61.774 62.300 0.006 0.000 1.029 177 V CB 3.034 34.897 31.823 0.066 0.000 1.057 177 V HN 0.424 nan 8.190 nan 0.000 0.436 178 F N 3.025 122.918 119.950 -0.096 0.000 2.444 178 F HA 0.649 5.176 4.527 0.001 0.000 0.342 178 F C -0.071 175.665 175.800 -0.106 0.000 1.121 178 F CA -0.495 57.407 58.000 -0.163 0.000 0.997 178 F CB 2.005 40.874 39.000 -0.218 0.000 1.130 178 F HN 0.300 nan 8.300 nan 0.000 0.454 179 V N 6.171 126.091 119.914 0.011 0.000 2.417 179 V HA 0.702 4.822 4.120 0.001 0.000 0.291 179 V C -1.085 174.985 176.094 -0.039 0.000 1.024 179 V CA -0.338 61.958 62.300 -0.007 0.000 0.861 179 V CB 1.189 33.007 31.823 -0.008 0.000 0.985 179 V HN 0.838 nan 8.190 nan 0.000 0.436 180 K N 5.464 125.823 120.400 -0.069 0.000 2.532 180 K HA 0.863 5.183 4.320 0.001 0.000 0.265 180 K C -0.846 175.667 176.600 -0.145 0.000 0.948 180 K CA -0.674 55.557 56.287 -0.092 0.000 0.842 180 K CB 2.173 34.632 32.500 -0.069 0.000 1.392 180 K HN 0.804 nan 8.250 nan 0.000 0.436 181 A N 1.296 124.027 122.820 -0.148 0.000 2.450 181 A HA 0.482 4.802 4.320 0.001 0.000 0.255 181 A C 1.253 178.743 177.584 -0.155 0.000 1.096 181 A CA 0.127 52.076 52.037 -0.147 0.000 0.778 181 A CB 0.424 19.373 19.000 -0.085 0.000 1.031 181 A HN 0.949 nan 8.150 nan 0.000 0.494 182 A N 2.921 125.663 122.820 -0.129 0.000 1.908 182 A HA -0.110 4.211 4.320 0.001 0.000 0.218 182 A C 1.033 178.463 177.584 -0.256 0.000 1.181 182 A CA 1.332 53.281 52.037 -0.146 0.000 0.627 182 A CB -0.277 18.683 19.000 -0.067 0.000 0.818 182 A HN 0.793 nan 8.150 nan 0.000 0.445 183 N N 0.864 119.415 118.700 -0.248 0.000 2.936 183 N HA 0.293 5.033 4.740 0.001 0.000 0.243 183 N C -0.824 174.391 175.510 -0.492 0.000 1.149 183 N CA 0.010 52.765 53.050 -0.492 0.000 0.914 183 N CB 0.996 39.456 38.487 -0.045 0.000 1.179 183 N HN 0.381 nan 8.380 nan 0.000 0.502 184 Q N -0.123 119.257 119.800 -0.700 0.000 2.814 184 Q HA 0.663 5.003 4.340 0.001 0.000 0.322 184 Q C -0.622 175.261 176.000 -0.196 0.000 0.861 184 Q CA -0.752 54.881 55.803 -0.285 0.000 0.773 184 Q CB 2.380 30.983 28.738 -0.226 0.000 1.423 184 Q HN 0.518 nan 8.270 nan 0.000 0.495 185 G N -1.242 107.553 108.800 -0.009 0.000 2.645 185 G HA2 0.464 4.425 3.960 0.001 0.000 0.292 185 G HA3 0.464 4.425 3.960 0.001 0.000 0.292 185 G C -0.667 174.287 174.900 0.091 0.000 1.415 185 G CA 0.239 45.380 45.100 0.069 0.000 0.785 185 G HN 0.558 nan 8.290 nan 0.000 0.483 186 S N -1.198 114.599 115.700 0.161 0.000 3.358 186 S HA -0.246 4.224 4.470 0.001 0.000 0.309 186 S C 1.349 176.103 174.600 0.257 0.000 1.247 186 S CA 2.047 60.423 58.200 0.294 0.000 0.961 186 S CB -1.360 62.119 63.200 0.465 0.000 1.074 186 S HN 2.090 nan 8.310 nan 0.000 0.625 187 S N -2.086 113.703 115.700 0.148 0.000 3.450 187 S HA -0.174 4.297 4.470 0.001 0.000 0.288 187 S C 0.096 174.766 174.600 0.117 0.000 1.256 187 S CA 0.737 59.048 58.200 0.186 0.000 0.910 187 S CB -1.845 61.487 63.200 0.221 0.000 1.090 187 S HN 1.816 nan 8.310 nan 0.000 0.630 188 V N -1.000 118.885 119.914 -0.048 0.000 2.509 188 V HA 0.827 4.947 4.120 0.001 0.000 0.284 188 V C 1.272 177.141 176.094 -0.376 0.000 1.047 188 V CA 0.550 62.702 62.300 -0.247 0.000 0.952 188 V CB 0.900 32.477 31.823 -0.410 0.000 0.988 188 V HN 1.583 nan 8.190 nan 0.000 0.469 189 G N 3.710 112.292 108.800 -0.363 0.000 2.143 189 G HA2 -0.195 3.766 3.960 0.001 0.000 0.249 189 G HA3 -0.195 3.766 3.960 0.001 0.000 0.249 189 G C -0.231 174.627 174.900 -0.071 0.000 0.981 189 G CA 0.348 45.287 45.100 -0.268 0.000 0.665 189 G HN 0.980 nan 8.290 nan 0.000 0.528 190 I N 0.627 121.212 120.570 0.025 0.000 2.530 190 I HA 0.649 4.819 4.170 0.001 0.000 0.297 190 I C -0.091 176.097 176.117 0.118 0.000 1.011 190 I CA -0.810 60.539 61.300 0.082 0.000 1.107 190 I CB 2.286 40.388 38.000 0.169 0.000 1.285 190 I HN 0.062 nan 8.210 nan 0.000 0.436 191 S N 4.223 119.885 115.700 -0.063 0.000 2.540 191 S HA 0.458 4.928 4.470 0.001 0.000 0.275 191 S C -0.780 173.470 174.600 -0.583 0.000 1.123 191 S CA -0.768 57.321 58.200 -0.184 0.000 0.907 191 S CB 2.535 65.685 63.200 -0.082 0.000 1.081 191 S HN 0.429 nan 8.310 nan 0.000 0.476 192 R N 2.525 122.538 120.500 -0.812 0.000 2.196 192 R HA 0.421 4.762 4.340 0.001 0.000 0.340 192 R C -1.337 174.616 176.300 -0.578 0.000 1.043 192 R CA -0.166 55.207 56.100 -1.212 0.000 0.883 192 R CB 0.247 29.871 30.300 -1.127 0.000 1.078 192 R HN 0.487 nan 8.270 nan 0.000 0.462 193 V N 4.425 124.044 119.914 -0.491 0.000 2.398 193 V HA 0.213 4.333 4.120 0.001 0.000 0.286 193 V C 1.262 177.287 176.094 -0.116 0.000 1.026 193 V CA -0.238 61.920 62.300 -0.236 0.000 0.868 193 V CB 1.593 33.341 31.823 -0.125 0.000 0.982 193 V HN 0.895 nan 8.190 nan 0.000 0.443 194 T N 0.251 114.741 114.554 -0.106 0.000 2.975 194 T HA 0.220 4.570 4.350 0.001 0.000 0.261 194 T C 0.362 175.099 174.700 0.061 0.000 0.984 194 T CA 0.146 62.263 62.100 0.028 0.000 0.911 194 T CB 0.043 68.912 68.868 0.002 0.000 1.127 194 T HN 0.693 nan 8.240 nan 0.000 0.514 195 N N -0.096 118.445 118.700 -0.264 0.000 2.774 195 N HA 0.687 5.427 4.740 0.001 0.000 0.264 195 N C 1.095 175.954 175.510 -1.085 0.000 1.415 195 N CA -0.392 52.402 53.050 -0.426 0.000 0.815 195 N CB 0.836 39.225 38.487 -0.162 0.000 1.514 195 N HN -0.027 nan 8.380 nan 0.000 0.523 196 A N -0.198 122.029 122.820 -0.989 0.000 1.940 196 A HA -0.142 4.179 4.320 0.001 0.000 0.219 196 A C 1.535 178.923 177.584 -0.327 0.000 1.176 196 A CA 1.731 53.325 52.037 -0.737 0.000 0.631 196 A CB -0.920 17.936 19.000 -0.240 0.000 0.814 196 A HN 0.774 nan 8.150 nan 0.000 0.446 197 E N -0.017 120.039 120.200 -0.239 0.000 2.107 197 E HA -0.086 4.264 4.350 0.001 0.000 0.191 197 E C 1.916 178.423 176.600 -0.155 0.000 0.982 197 E CA 1.272 57.585 56.400 -0.144 0.000 0.809 197 E CB -0.180 29.462 29.700 -0.096 0.000 0.756 197 E HN 0.757 nan 8.360 nan 0.000 0.459 198 E N -0.597 119.481 120.200 -0.204 0.000 2.152 198 E HA -0.165 4.185 4.350 0.001 0.000 0.192 198 E C 1.579 178.079 176.600 -0.167 0.000 0.983 198 E CA 0.567 56.864 56.400 -0.171 0.000 0.818 198 E CB -0.133 29.459 29.700 -0.180 0.000 0.758 198 E HN 0.271 nan 8.360 nan 0.000 0.467 199 Y N 2.121 122.169 120.300 -0.420 0.000 2.089 199 Y HA -0.263 4.287 4.550 0.001 0.000 0.282 199 Y C 2.630 178.444 175.900 -0.144 0.000 1.139 199 Y CA 2.211 60.108 58.100 -0.339 0.000 1.123 199 Y CB -0.905 37.230 38.460 -0.543 0.000 0.980 199 Y HN 0.038 nan 8.280 nan 0.000 0.493 200 T N -2.061 112.295 114.554 -0.329 0.000 2.833 200 T HA -0.178 4.172 4.350 0.001 0.000 0.269 200 T C 1.709 176.299 174.700 -0.184 0.000 1.054 200 T CA 1.528 63.437 62.100 -0.318 0.000 1.135 200 T CB -0.450 68.324 68.868 -0.157 0.000 0.869 200 T HN 0.402 nan 8.240 nan 0.000 0.466 201 E N 1.593 121.713 120.200 -0.134 0.000 2.107 201 E HA 0.159 4.510 4.350 0.001 0.000 0.191 201 E C 2.308 178.865 176.600 -0.071 0.000 0.982 201 E CA 0.994 57.346 56.400 -0.080 0.000 0.809 201 E CB -0.599 29.062 29.700 -0.064 0.000 0.756 201 E HN 0.634 nan 8.360 nan 0.000 0.459 202 A N 0.159 122.919 122.820 -0.100 0.000 1.968 202 A HA -0.046 4.274 4.320 0.001 0.000 0.217 202 A C 2.102 179.625 177.584 -0.100 0.000 1.169 202 A CA 0.668 52.656 52.037 -0.081 0.000 0.638 202 A CB -0.451 18.500 19.000 -0.082 0.000 0.812 202 A HN 0.284 nan 8.150 nan 0.000 0.446 203 L N -0.484 120.648 121.223 -0.152 0.000 2.046 203 L HA -0.159 4.181 4.340 0.001 0.000 0.208 203 L C 2.833 179.744 176.870 0.068 0.000 1.077 203 L CA 1.513 56.289 54.840 -0.107 0.000 0.747 203 L CB -0.423 41.566 42.059 -0.117 0.000 0.896 203 L HN 0.339 nan 8.230 nan 0.000 0.432 204 S N -0.428 115.307 115.700 0.058 0.000 2.355 204 S HA -0.232 4.239 4.470 0.001 0.000 0.222 204 S C 1.579 176.220 174.600 0.069 0.000 1.031 204 S CA 1.633 59.889 58.200 0.094 0.000 0.993 204 S CB -0.298 62.919 63.200 0.029 0.000 0.859 204 S HN 0.475 nan 8.310 nan 0.000 0.453 205 D N 0.953 121.372 120.400 0.032 0.000 2.144 205 D HA -0.066 4.574 4.640 0.001 0.000 0.199 205 D C 1.959 178.325 176.300 0.110 0.000 0.984 205 D CA 1.388 55.424 54.000 0.060 0.000 0.834 205 D CB -0.128 40.709 40.800 0.061 0.000 0.955 205 D HN 0.221 nan 8.370 nan 0.000 0.465 206 S N -0.963 114.749 115.700 0.020 0.000 2.371 206 S HA -0.043 4.428 4.470 0.001 0.000 0.224 206 S C 1.341 175.919 174.600 -0.038 0.000 1.029 206 S CA 0.292 58.475 58.200 -0.028 0.000 0.978 206 S CB -0.381 62.673 63.200 -0.243 0.000 0.833 206 S HN 0.282 nan 8.310 nan 0.000 0.466 207 F N 2.500 122.447 119.950 -0.005 0.000 2.724 207 F HA -0.013 4.514 4.527 0.001 0.000 0.297 207 F C 2.068 177.766 175.800 -0.170 0.000 1.200 207 F CA 0.264 58.219 58.000 -0.074 0.000 1.468 207 F CB -0.615 38.355 39.000 -0.050 0.000 1.116 207 F HN 0.412 nan 8.300 nan 0.000 0.599 208 Q N -2.405 117.374 119.800 -0.036 0.000 2.219 208 Q HA 0.043 4.383 4.340 0.001 0.000 0.209 208 Q C 0.193 175.916 176.000 -0.462 0.000 0.854 208 Q CA 0.485 56.130 55.803 -0.263 0.000 0.960 208 Q CB -0.167 28.374 28.738 -0.328 0.000 1.116 208 Q HN 0.431 nan 8.270 nan 0.000 0.500 209 Y N -0.385 119.859 120.300 -0.093 0.000 2.499 209 Y HA 0.396 4.946 4.550 0.000 0.000 0.253 209 Y C -0.238 175.599 175.900 -0.106 0.000 1.105 209 Y CA -0.473 57.576 58.100 -0.084 0.000 1.240 209 Y CB 1.310 39.732 38.460 -0.064 0.000 1.289 209 Y HN 0.117 nan 8.280 nan 0.000 0.534 210 D N -2.398 117.980 120.400 -0.036 0.000 2.720 210 D HA 0.084 4.725 4.640 0.001 0.000 0.239 210 D C -0.991 175.265 176.300 -0.074 0.000 1.218 210 D CA -0.591 53.371 54.000 -0.064 0.000 0.748 210 D CB 0.465 41.278 40.800 0.022 0.000 1.387 210 D HN -0.116 nan 8.370 nan 0.000 0.438 211 Y N 0.821 121.254 120.300 0.223 0.000 2.466 211 Y HA 0.243 4.793 4.550 0.001 0.000 0.272 211 Y C 0.961 177.077 175.900 0.360 0.000 1.169 211 Y CA 0.308 58.581 58.100 0.288 0.000 1.285 211 Y CB 0.473 39.016 38.460 0.138 0.000 1.078 211 Y HN -0.064 nan 8.280 nan 0.000 0.523 212 K N 1.459 122.052 120.400 0.322 0.000 2.502 212 K HA 0.539 4.859 4.320 0.001 0.000 0.254 212 K C -1.351 175.265 176.600 0.027 0.000 0.947 212 K CA -0.666 55.750 56.287 0.215 0.000 0.834 212 K CB 1.454 34.043 32.500 0.148 0.000 1.112 212 K HN -0.043 nan 8.250 nan 0.000 0.427 213 V N 1.659 121.532 119.914 -0.068 0.000 2.864 213 V HA 0.656 4.776 4.120 0.001 0.000 0.314 213 V C -1.265 174.773 176.094 -0.094 0.000 1.073 213 V CA -1.082 61.085 62.300 -0.222 0.000 0.956 213 V CB 1.681 33.152 31.823 -0.586 0.000 1.023 213 V HN 0.580 nan 8.190 nan 0.000 0.435 214 L N 3.832 125.005 121.223 -0.084 0.000 2.331 214 L HA 0.672 5.012 4.340 0.001 0.000 0.275 214 L C -0.357 176.507 176.870 -0.011 0.000 1.022 214 L CA -0.251 54.581 54.840 -0.012 0.000 0.812 214 L CB 1.721 43.759 42.059 -0.035 0.000 1.257 214 L HN 0.649 nan 8.230 nan 0.000 0.435 215 I N 2.638 123.221 120.570 0.021 0.000 2.448 215 I HA 0.338 4.508 4.170 0.001 0.000 0.281 215 I C -0.682 175.458 176.117 0.039 0.000 1.027 215 I CA -0.412 60.899 61.300 0.017 0.000 1.111 215 I CB 1.247 39.235 38.000 -0.019 0.000 1.236 215 I HN 0.632 nan 8.210 nan 0.000 0.452 216 E N 5.559 125.800 120.200 0.068 0.000 2.256 216 E HA 0.446 4.797 4.350 0.001 0.000 0.267 216 E C -0.980 175.658 176.600 0.063 0.000 0.892 216 E CA -1.035 55.413 56.400 0.080 0.000 0.775 216 E CB 1.804 31.534 29.700 0.050 0.000 1.207 216 E HN 0.568 nan 8.360 nan 0.000 0.420 217 E N 1.440 121.656 120.200 0.025 0.000 2.398 217 E HA 0.328 4.678 4.350 0.001 0.000 0.263 217 E C -0.594 176.020 176.600 0.022 0.000 1.046 217 E CA -0.705 55.700 56.400 0.008 0.000 0.908 217 E CB 0.732 30.412 29.700 -0.033 0.000 0.963 217 E HN 0.553 nan 8.360 nan 0.000 0.431 218 A N 3.266 126.133 122.820 0.078 0.000 2.363 218 A HA 0.327 4.648 4.320 0.001 0.000 0.270 218 A C -0.291 177.277 177.584 -0.026 0.000 1.121 218 A CA -0.794 51.320 52.037 0.129 0.000 0.800 218 A CB 0.927 20.088 19.000 0.268 0.000 1.052 218 A HN 0.478 nan 8.150 nan 0.000 0.493 219 V N 3.962 123.812 119.914 -0.106 0.000 2.406 219 V HA 0.081 4.201 4.120 0.001 0.000 0.272 219 V C 0.476 176.536 176.094 -0.056 0.000 1.043 219 V CA -0.612 61.589 62.300 -0.164 0.000 0.915 219 V CB 0.986 32.631 31.823 -0.297 0.000 0.988 219 V HN 0.945 nan 8.190 nan 0.000 0.466 220 N N 3.848 122.530 118.700 -0.029 0.000 2.567 220 N HA -0.020 4.721 4.740 0.001 0.000 0.195 220 N C 0.898 176.411 175.510 0.006 0.000 1.242 220 N CA 0.226 53.280 53.050 0.006 0.000 0.884 220 N CB 0.151 38.642 38.487 0.008 0.000 1.007 220 N HN 0.744 nan 8.380 nan 0.000 0.450 221 G N -0.025 108.771 108.800 -0.006 0.000 2.398 221 G HA2 0.314 4.275 3.960 0.001 0.000 0.246 221 G HA3 0.314 4.275 3.960 0.001 0.000 0.246 221 G C 0.989 175.881 174.900 -0.012 0.000 1.289 221 G CA -0.072 45.026 45.100 -0.005 0.000 0.869 221 G HN 0.202 nan 8.290 nan 0.000 0.543 222 A N 2.640 125.449 122.820 -0.018 0.000 2.172 222 A HA 0.176 4.496 4.320 0.001 0.000 0.216 222 A C 1.437 178.980 177.584 -0.068 0.000 1.154 222 A CA 1.095 53.115 52.037 -0.028 0.000 0.701 222 A CB -0.186 18.801 19.000 -0.023 0.000 0.789 222 A HN 0.856 nan 8.150 nan 0.000 0.465 223 R N -1.197 119.247 120.500 -0.095 0.000 2.710 223 R HA 0.647 4.987 4.340 0.001 0.000 0.270 223 R C -1.619 174.555 176.300 -0.210 0.000 1.021 223 R CA -0.820 55.171 56.100 -0.181 0.000 0.889 223 R CB 0.993 31.180 30.300 -0.187 0.000 1.243 223 R HN 0.136 nan 8.270 nan 0.000 0.464 224 E N 0.978 120.941 120.200 -0.396 0.000 2.221 224 E HA 0.466 4.816 4.350 0.001 0.000 0.268 224 E C -1.030 175.347 176.600 -0.371 0.000 0.933 224 E CA -1.132 55.047 56.400 -0.368 0.000 0.809 224 E CB 1.788 31.228 29.700 -0.434 0.000 1.190 224 E HN 0.163 nan 8.360 nan 0.000 0.406 225 L N 1.542 122.721 121.223 -0.074 0.000 2.354 225 L HA 0.439 4.779 4.340 0.001 0.000 0.269 225 L C -0.559 176.445 176.870 0.223 0.000 1.005 225 L CA -0.413 54.451 54.840 0.040 0.000 0.819 225 L CB 1.658 43.733 42.059 0.027 0.000 1.311 225 L HN 0.545 nan 8.230 nan 0.000 0.423 226 E N 1.158 121.485 120.200 0.212 0.000 2.292 226 E HA 0.707 5.057 4.350 0.001 0.000 0.272 226 E C -1.623 175.077 176.600 0.166 0.000 0.881 226 E CA -0.613 55.938 56.400 0.252 0.000 0.754 226 E CB 2.997 32.861 29.700 0.273 0.000 1.201 226 E HN 0.219 nan 8.360 nan 0.000 0.425 227 V N 1.439 121.477 119.914 0.207 0.000 2.686 227 V HA 0.596 4.717 4.120 0.001 0.000 0.306 227 V C 0.172 176.369 176.094 0.171 0.000 1.065 227 V CA -0.860 61.506 62.300 0.111 0.000 0.894 227 V CB 2.062 33.968 31.823 0.138 0.000 1.004 227 V HN 0.774 nan 8.190 nan 0.000 0.424 228 G N 1.779 110.617 108.800 0.062 0.000 2.377 228 G HA2 0.616 4.576 3.960 0.001 0.000 0.299 228 G HA3 0.616 4.576 3.960 0.001 0.000 0.299 228 G C -1.031 174.154 174.900 0.476 0.000 1.150 228 G CA -0.535 44.795 45.100 0.384 0.000 0.847 228 G HN 0.971 nan 8.290 nan 0.000 0.501 229 V N 3.992 124.318 119.914 0.686 0.000 2.733 229 V HA 0.787 4.907 4.120 0.001 0.000 0.306 229 V C -0.535 175.735 176.094 0.294 0.000 1.084 229 V CA -0.871 61.681 62.300 0.421 0.000 0.905 229 V CB 1.302 33.102 31.823 -0.038 0.000 1.010 229 V HN 0.896 nan 8.190 nan 0.000 0.424 230 I N 3.817 124.441 120.570 0.088 0.000 3.145 230 I HA 1.110 5.281 4.170 0.001 0.000 0.313 230 I C 0.162 176.100 176.117 -0.299 0.000 1.122 230 I CA -0.386 60.866 61.300 -0.080 0.000 0.987 230 I CB 2.191 40.059 38.000 -0.220 0.000 1.236 230 I HN 1.423 nan 8.210 nan 0.000 0.453 231 G N 2.232 110.669 108.800 -0.604 0.000 2.525 231 G HA2 -0.109 3.851 3.960 0.001 0.000 0.685 231 G HA3 -0.109 3.851 3.960 0.001 0.000 0.685 231 G C -1.076 173.523 174.900 -0.502 0.000 1.290 231 G CA -0.075 44.379 45.100 -1.077 0.000 0.915 231 G HN 0.840 nan 8.290 nan 0.000 0.548 232 N N -0.489 117.991 118.700 -0.366 0.000 2.528 232 N HA 0.181 4.922 4.740 0.001 0.000 0.208 232 N C 1.263 176.790 175.510 0.029 0.000 1.218 232 N CA 0.478 53.482 53.050 -0.077 0.000 1.112 232 N CB -0.094 38.374 38.487 -0.032 0.000 1.423 232 N HN 0.532 nan 8.380 nan 0.000 0.497 233 D N 0.684 121.104 120.400 0.033 0.000 2.317 233 D HA -0.016 4.625 4.640 0.001 0.000 0.211 233 D C -0.224 176.104 176.300 0.047 0.000 0.966 233 D CA 0.924 54.953 54.000 0.049 0.000 0.876 233 D CB 0.296 41.124 40.800 0.047 0.000 0.927 233 D HN 0.323 nan 8.370 nan 0.000 0.519 234 Q N 0.816 120.637 119.800 0.035 0.000 3.300 234 Q HA 0.230 4.571 4.340 0.001 0.000 0.271 234 Q C -2.439 173.562 176.000 0.003 0.000 0.926 234 Q CA -1.257 54.566 55.803 0.033 0.000 0.788 234 Q CB 2.101 30.871 28.738 0.053 0.000 1.385 234 Q HN 0.053 nan 8.270 nan 0.000 0.424 235 P HA 0.143 nan 4.420 nan 0.000 0.275 235 P C -0.844 176.422 177.300 -0.056 0.000 1.228 235 P CA -0.412 62.609 63.100 -0.130 0.000 0.786 235 P CB 1.106 32.621 31.700 -0.308 0.000 0.927 236 L N 2.350 123.571 121.223 -0.003 0.000 2.344 236 L HA 0.431 4.771 4.340 0.001 0.000 0.272 236 L C 0.233 177.263 176.870 0.265 0.000 1.035 236 L CA -0.636 54.292 54.840 0.146 0.000 0.807 236 L CB 1.542 43.739 42.059 0.230 0.000 1.237 236 L HN 0.155 nan 8.230 nan 0.000 0.442 237 V N 0.564 120.609 119.914 0.218 0.000 2.555 237 V HA 0.608 4.729 4.120 0.001 0.000 0.302 237 V C 0.193 176.244 176.094 -0.070 0.000 1.038 237 V CA -0.676 61.693 62.300 0.114 0.000 0.887 237 V CB 1.749 33.586 31.823 0.022 0.000 0.991 237 V HN 0.939 nan 8.190 nan 0.000 0.434 238 S N 3.601 119.002 115.700 -0.498 0.000 2.632 238 S HA 0.466 4.937 4.470 0.001 0.000 0.267 238 S C -0.040 174.321 174.600 -0.399 0.000 1.193 238 S CA -0.629 57.087 58.200 -0.807 0.000 1.003 238 S CB 0.786 63.012 63.200 -1.623 0.000 1.073 238 S HN 0.645 nan 8.310 nan 0.000 0.553 239 E N 0.159 120.134 120.200 -0.375 0.000 2.373 239 E HA 0.353 4.703 4.350 0.001 0.000 0.263 239 E C -0.237 176.199 176.600 -0.273 0.000 1.073 239 E CA -0.274 55.964 56.400 -0.271 0.000 0.894 239 E CB 0.630 30.155 29.700 -0.291 0.000 1.008 239 E HN 0.560 nan 8.360 nan 0.000 0.420 240 I N 0.986 121.429 120.570 -0.212 0.000 2.474 240 I HA 0.224 4.394 4.170 0.001 0.000 0.287 240 I C 0.978 176.992 176.117 -0.172 0.000 1.048 240 I CA 0.042 61.241 61.300 -0.168 0.000 1.383 240 I CB 1.013 38.916 38.000 -0.161 0.000 1.412 240 I HN 0.323 nan 8.210 nan 0.000 0.531 241 G N 3.809 112.546 108.800 -0.104 0.000 2.454 241 G HA2 0.816 4.777 3.960 0.001 0.000 0.329 241 G HA3 0.816 4.777 3.960 0.001 0.000 0.329 241 G C -1.350 173.557 174.900 0.012 0.000 1.177 241 G CA -0.522 44.537 45.100 -0.068 0.000 0.951 241 G HN 0.808 nan 8.290 nan 0.000 0.485 242 A N 0.494 123.330 122.820 0.027 0.000 2.527 242 A HA 0.982 5.302 4.320 0.001 0.000 0.293 242 A C -0.956 176.629 177.584 0.002 0.000 1.117 242 A CA -0.733 51.282 52.037 -0.037 0.000 0.723 242 A CB 1.634 20.551 19.000 -0.138 0.000 1.313 242 A HN 1.683 nan 8.150 nan 0.000 0.411 243 H N -1.890 117.031 119.070 -0.250 0.000 3.079 243 H HA 0.788 5.344 4.556 0.001 0.000 0.356 243 H C -0.981 174.061 175.328 -0.477 0.000 1.221 243 H CA -0.139 55.571 56.048 -0.564 0.000 1.185 243 H CB 1.624 30.874 29.762 -0.855 0.000 1.882 243 H HN 0.664 nan 8.280 nan 0.000 0.543 244 T N 2.109 116.415 114.554 -0.412 0.000 2.971 244 T HA 0.498 4.848 4.350 0.001 0.000 0.304 244 T C -0.881 173.689 174.700 -0.217 0.000 1.038 244 T CA -0.415 61.517 62.100 -0.280 0.000 1.007 244 T CB 0.984 69.755 68.868 -0.161 0.000 1.055 244 T HN 0.917 nan 8.240 nan 0.000 0.451 245 V N 3.365 123.184 119.914 -0.158 0.000 2.716 245 V HA 0.764 4.884 4.120 0.001 0.000 0.304 245 V C -2.641 173.431 176.094 -0.036 0.000 1.053 245 V CA -2.732 59.516 62.300 -0.086 0.000 0.984 245 V CB 0.650 32.455 31.823 -0.030 0.000 1.021 245 V HN 0.690 nan 8.190 nan 0.000 0.467 246 P HA 0.177 nan 4.420 nan 0.000 0.261 246 P C -0.167 177.141 177.300 0.013 0.000 1.183 246 P CA 0.788 63.883 63.100 -0.009 0.000 0.761 246 P CB -0.275 31.419 31.700 -0.010 0.000 0.785 247 N N 0.402 119.112 118.700 0.016 0.000 2.780 247 N HA -0.226 4.514 4.740 0.001 0.000 0.248 247 N C 0.786 176.332 175.510 0.059 0.000 1.102 247 N CA 0.538 53.608 53.050 0.034 0.000 0.697 247 N CB -1.239 37.272 38.487 0.041 0.000 1.028 247 N HN 0.568 nan 8.380 nan 0.000 0.554 248 Q N -0.063 119.766 119.800 0.048 0.000 2.008 248 Q HA 0.025 4.365 4.340 0.001 0.000 0.196 248 Q C 2.125 178.166 176.000 0.068 0.000 0.973 248 Q CA 1.770 57.618 55.803 0.074 0.000 0.826 248 Q CB -0.178 28.580 28.738 0.033 0.000 0.894 248 Q HN 0.488 nan 8.270 nan 0.000 0.439 249 G N -0.614 108.206 108.800 0.034 0.000 2.417 249 G HA2 -0.087 3.873 3.960 0.001 0.000 0.212 249 G HA3 -0.087 3.873 3.960 0.001 0.000 0.212 249 G C 0.923 175.842 174.900 0.031 0.000 1.187 249 G CA 0.493 45.611 45.100 0.029 0.000 0.804 249 G HN 0.308 nan 8.290 nan 0.000 0.534 250 S N 1.077 116.792 115.700 0.025 0.000 2.815 250 S HA 0.548 5.018 4.470 0.001 0.000 0.254 250 S C 0.499 175.118 174.600 0.031 0.000 1.197 250 S CA 0.152 58.366 58.200 0.023 0.000 1.216 250 S CB -0.181 63.027 63.200 0.014 0.000 0.871 250 S HN 0.838 nan 8.310 nan 0.000 0.473 251 G N 1.410 110.237 108.800 0.045 0.000 2.325 251 G HA2 0.273 4.233 3.960 0.001 0.000 0.295 251 G HA3 0.273 4.233 3.960 0.001 0.000 0.295 251 G C -1.030 173.919 174.900 0.083 0.000 1.274 251 G CA -0.450 44.684 45.100 0.056 0.000 0.857 251 G HN 0.267 nan 8.290 nan 0.000 0.499 252 D N -0.378 120.081 120.400 0.099 0.000 2.339 252 D HA 0.247 4.887 4.640 0.001 0.000 0.217 252 D C 1.330 177.791 176.300 0.269 0.000 1.050 252 D CA 0.568 54.654 54.000 0.143 0.000 0.856 252 D CB -0.234 40.634 40.800 0.113 0.000 0.922 252 D HN 0.723 nan 8.370 nan 0.000 0.518 253 G N 0.800 109.730 108.800 0.217 0.000 2.432 253 G HA2 0.355 4.316 3.960 0.001 0.000 0.239 253 G HA3 0.355 4.316 3.960 0.001 0.000 0.239 253 G C -0.134 174.993 174.900 0.379 0.000 1.291 253 G CA -0.550 44.690 45.100 0.234 0.000 0.863 253 G HN 0.324 nan 8.290 nan 0.000 0.560 254 W N 1.435 122.813 121.300 0.131 0.000 3.025 254 W HA 0.367 5.028 4.660 0.001 0.000 0.343 254 W C -1.907 174.748 176.519 0.227 0.000 1.246 254 W CA -1.913 55.541 57.345 0.181 0.000 1.178 254 W CB 0.823 30.462 29.460 0.298 0.000 1.463 254 W HN 0.315 nan 8.180 nan 0.000 0.578 255 Y N 4.627 125.018 120.300 0.150 0.000 2.603 255 Y HA 0.081 4.631 4.550 0.001 0.000 0.341 255 Y C 0.859 176.622 175.900 -0.229 0.000 1.272 255 Y CA -0.550 57.518 58.100 -0.052 0.000 1.891 255 Y CB -0.972 37.536 38.460 0.080 0.000 1.910 255 Y HN 0.283 nan 8.280 nan 0.000 0.432 256 D N -0.600 119.386 120.400 -0.690 0.000 2.440 256 D HA -0.095 4.545 4.640 0.001 0.000 0.269 256 D C 1.278 177.340 176.300 -0.396 0.000 1.249 256 D CA -0.373 53.104 54.000 -0.873 0.000 1.055 256 D CB 0.007 39.949 40.800 -1.430 0.000 1.104 256 D HN 0.315 nan 8.370 nan 0.000 0.561 257 Y N -0.124 119.999 120.300 -0.296 0.000 2.224 257 Y HA -0.170 4.380 4.550 0.000 0.000 0.289 257 Y C 2.130 177.952 175.900 -0.129 0.000 1.146 257 Y CA 2.050 60.074 58.100 -0.127 0.000 1.182 257 Y CB -0.447 38.008 38.460 -0.008 0.000 0.983 257 Y HN 0.472 nan 8.280 nan 0.000 0.524 258 N N -0.382 118.235 118.700 -0.138 0.000 2.188 258 N HA -0.164 4.576 4.740 0.001 0.000 0.184 258 N C 1.275 176.652 175.510 -0.221 0.000 1.018 258 N CA 1.430 54.385 53.050 -0.158 0.000 0.858 258 N CB -0.161 38.274 38.487 -0.085 0.000 0.989 258 N HN 0.346 nan 8.380 nan 0.000 0.426 259 N N -0.503 118.036 118.700 -0.268 0.000 2.354 259 N HA 0.019 4.760 4.740 0.001 0.000 0.179 259 N C 1.105 176.439 175.510 -0.293 0.000 1.021 259 N CA 0.695 53.629 53.050 -0.192 0.000 0.887 259 N CB 0.268 38.717 38.487 -0.063 0.000 0.974 259 N HN 0.217 nan 8.380 nan 0.000 0.437 260 K N -0.751 119.249 120.400 -0.667 0.000 2.044 260 K HA 0.090 4.410 4.320 0.001 0.000 0.204 260 K C 0.542 176.577 176.600 -0.942 0.000 1.045 260 K CA 1.010 56.658 56.287 -1.065 0.000 0.951 260 K CB 0.075 31.554 32.500 -1.702 0.000 0.738 260 K HN 0.131 nan 8.250 nan 0.000 0.443 261 F N -0.587 119.110 119.950 -0.421 0.000 2.680 261 F HA 0.092 4.620 4.527 0.001 0.000 0.290 261 F C 1.903 177.526 175.800 -0.294 0.000 1.114 261 F CA -0.139 57.638 58.000 -0.371 0.000 1.333 261 F CB -0.205 38.489 39.000 -0.511 0.000 1.091 261 F HN -0.281 nan 8.300 nan 0.000 0.606 262 V N -0.814 118.998 119.914 -0.171 0.000 2.302 262 V HA -0.090 4.031 4.120 0.001 0.000 0.243 262 V C -0.104 175.958 176.094 -0.053 0.000 1.036 262 V CA 1.605 63.852 62.300 -0.088 0.000 1.020 262 V CB -0.157 31.621 31.823 -0.075 0.000 0.657 262 V HN 0.135 nan 8.190 nan 0.000 0.453 263 D N -1.439 118.917 120.400 -0.073 0.000 2.478 263 D HA 0.220 4.860 4.640 0.001 0.000 0.240 263 D C -0.238 176.038 176.300 -0.040 0.000 1.364 263 D CA -0.267 53.709 54.000 -0.040 0.000 0.987 263 D CB 1.043 41.828 40.800 -0.027 0.000 1.328 263 D HN 0.038 nan 8.370 nan 0.000 0.584 264 N N 0.827 119.520 118.700 -0.012 0.000 2.205 264 N HA -0.036 4.704 4.740 0.001 0.000 0.201 264 N C 0.955 176.505 175.510 0.067 0.000 1.128 264 N CA 0.374 53.444 53.050 0.033 0.000 0.867 264 N CB 0.489 39.006 38.487 0.050 0.000 0.996 264 N HN 0.202 nan 8.380 nan 0.000 0.503 265 S N -1.352 114.372 115.700 0.040 0.000 2.723 265 S HA 0.115 4.585 4.470 0.001 0.000 0.231 265 S C 1.179 175.800 174.600 0.034 0.000 0.967 265 S CA 0.392 58.618 58.200 0.044 0.000 0.958 265 S CB 0.014 63.231 63.200 0.027 0.000 0.778 265 S HN 0.318 nan 8.310 nan 0.000 0.537 266 A N -0.003 122.831 122.820 0.024 0.000 2.545 266 A HA 0.598 4.918 4.320 0.001 0.000 0.263 266 A C 0.269 177.843 177.584 -0.016 0.000 1.202 266 A CA -0.148 51.891 52.037 0.004 0.000 0.959 266 A CB 0.464 19.460 19.000 -0.006 0.000 1.124 266 A HN 0.507 nan 8.150 nan 0.000 0.543 267 V N 0.422 120.319 119.914 -0.028 0.000 2.547 267 V HA 0.386 4.506 4.120 0.001 0.000 0.299 267 V C -0.593 175.395 176.094 -0.176 0.000 1.040 267 V CA -0.753 61.454 62.300 -0.156 0.000 0.913 267 V CB 1.421 33.081 31.823 -0.272 0.000 0.992 267 V HN 0.498 nan 8.190 nan 0.000 0.449 268 H N 5.750 124.614 119.070 -0.344 0.000 2.467 268 H HA 0.455 5.011 4.556 0.001 0.000 0.326 268 H C -1.578 173.519 175.328 -0.384 0.000 1.094 268 H CA -0.542 55.361 56.048 -0.242 0.000 1.253 268 H CB 1.201 30.883 29.762 -0.134 0.000 1.439 268 H HN 0.602 nan 8.280 nan 0.000 0.479 269 F N 2.442 122.186 119.950 -0.344 0.000 2.492 269 F HA 0.320 4.848 4.527 0.001 0.000 0.327 269 F C -0.113 175.405 175.800 -0.469 0.000 1.079 269 F CA -0.663 57.142 58.000 -0.326 0.000 0.967 269 F CB 2.036 40.958 39.000 -0.129 0.000 1.169 269 F HN 0.465 nan 8.300 nan 0.000 0.472 270 Q N 3.734 123.451 119.800 -0.139 0.000 2.304 270 Q HA 0.695 5.035 4.340 0.001 0.000 0.270 270 Q C -1.369 174.559 176.000 -0.119 0.000 1.035 270 Q CA -0.571 55.141 55.803 -0.152 0.000 0.781 270 Q CB 3.166 31.797 28.738 -0.177 0.000 1.261 270 Q HN 0.550 nan 8.270 nan 0.000 0.444 271 I N 3.028 123.507 120.570 -0.151 0.000 2.529 271 I HA 0.368 4.539 4.170 0.001 0.000 0.284 271 I C -2.408 173.507 176.117 -0.336 0.000 1.088 271 I CA -1.924 59.179 61.300 -0.329 0.000 1.062 271 I CB 1.810 39.497 38.000 -0.521 0.000 1.218 271 I HN 0.353 nan 8.210 nan 0.000 0.442 272 P HA 0.383 nan 4.420 nan 0.000 0.276 272 P C -0.356 176.847 177.300 -0.161 0.000 1.252 272 P CA -0.426 62.522 63.100 -0.253 0.000 0.802 272 P CB 0.729 32.319 31.700 -0.184 0.000 1.035 273 A N 1.377 124.109 122.820 -0.148 0.000 2.407 273 A HA 0.131 4.451 4.320 0.001 0.000 0.248 273 A C 0.111 177.639 177.584 -0.094 0.000 1.082 273 A CA -0.299 51.667 52.037 -0.117 0.000 0.785 273 A CB -0.184 18.745 19.000 -0.119 0.000 1.020 273 A HN 0.447 nan 8.150 nan 0.000 0.489 274 Q N 1.655 121.410 119.800 -0.075 0.000 2.431 274 Q HA 0.384 4.724 4.340 0.001 0.000 0.234 274 Q C -0.756 175.208 176.000 -0.059 0.000 1.203 274 Q CA 0.654 56.425 55.803 -0.055 0.000 0.902 274 Q CB -0.142 28.576 28.738 -0.034 0.000 1.455 274 Q HN 0.571 nan 8.270 nan 0.000 0.515 275 L N 0.160 121.344 121.223 -0.064 0.000 2.303 275 L HA 0.490 4.831 4.340 0.001 0.000 0.256 275 L C 0.444 177.280 176.870 -0.057 0.000 1.034 275 L CA -1.075 53.725 54.840 -0.067 0.000 0.832 275 L CB 1.837 43.842 42.059 -0.090 0.000 1.403 275 L HN 0.401 nan 8.230 nan 0.000 0.419 276 S N -0.784 114.883 115.700 -0.054 0.000 2.614 276 S HA 0.316 4.786 4.470 0.001 0.000 0.265 276 S C -2.120 172.449 174.600 -0.052 0.000 1.303 276 S CA -0.930 57.243 58.200 -0.046 0.000 1.000 276 S CB 1.137 64.313 63.200 -0.041 0.000 0.935 276 S HN 0.397 nan 8.310 nan 0.000 0.551 277 P HA -0.048 nan 4.420 nan 0.000 0.218 277 P C 0.935 178.205 177.300 -0.049 0.000 1.148 277 P CA 1.114 64.188 63.100 -0.044 0.000 0.822 277 P CB 0.044 31.724 31.700 -0.032 0.000 0.784 278 E N -0.778 119.393 120.200 -0.048 0.000 2.015 278 E HA -0.117 4.233 4.350 0.001 0.000 0.191 278 E C 2.036 178.595 176.600 -0.069 0.000 0.991 278 E CA 1.066 57.436 56.400 -0.051 0.000 0.802 278 E CB -1.350 28.324 29.700 -0.043 0.000 0.759 278 E HN -0.017 nan 8.360 nan 0.000 0.447 279 V N 0.958 120.825 119.914 -0.079 0.000 2.287 279 V HA -0.293 3.828 4.120 0.001 0.000 0.248 279 V C 2.192 178.203 176.094 -0.138 0.000 1.053 279 V CA 2.237 64.473 62.300 -0.108 0.000 1.027 279 V CB -1.019 30.741 31.823 -0.104 0.000 0.646 279 V HN 0.336 nan 8.190 nan 0.000 0.447 280 T N -0.397 114.085 114.554 -0.120 0.000 2.699 280 T HA -0.293 4.057 4.350 0.001 0.000 0.268 280 T C 1.954 176.580 174.700 -0.123 0.000 1.036 280 T CA 2.063 64.085 62.100 -0.131 0.000 1.147 280 T CB -0.243 68.565 68.868 -0.101 0.000 0.862 280 T HN 0.492 nan 8.240 nan 0.000 0.446 281 K N 0.729 121.074 120.400 -0.093 0.000 2.103 281 K HA -0.083 4.237 4.320 0.001 0.000 0.204 281 K C 2.360 178.911 176.600 -0.082 0.000 1.052 281 K CA 1.232 57.475 56.287 -0.073 0.000 0.945 281 K CB -0.059 32.410 32.500 -0.051 0.000 0.722 281 K HN 0.386 nan 8.250 nan 0.000 0.443 282 E N 0.353 120.494 120.200 -0.099 0.000 2.072 282 E HA -0.158 4.192 4.350 0.001 0.000 0.191 282 E C 1.974 178.490 176.600 -0.140 0.000 0.985 282 E CA 1.294 57.635 56.400 -0.098 0.000 0.801 282 E CB 0.074 29.714 29.700 -0.100 0.000 0.750 282 E HN 0.259 nan 8.360 nan 0.000 0.452 283 V N 0.239 119.995 119.914 -0.263 0.000 2.427 283 V HA -0.182 3.938 4.120 0.001 0.000 0.248 283 V C 1.885 177.822 176.094 -0.261 0.000 1.051 283 V CA 1.692 63.693 62.300 -0.499 0.000 1.048 283 V CB -0.355 30.896 31.823 -0.952 0.000 0.666 283 V HN 0.144 nan 8.190 nan 0.000 0.456 284 K N -0.309 119.994 120.400 -0.162 0.000 2.147 284 K HA -0.198 4.122 4.320 0.001 0.000 0.205 284 K C 2.294 178.893 176.600 -0.002 0.000 1.049 284 K CA 1.837 58.084 56.287 -0.065 0.000 0.936 284 K CB -0.134 32.326 32.500 -0.066 0.000 0.722 284 K HN 0.530 nan 8.250 nan 0.000 0.446 285 Q N 0.733 120.529 119.800 -0.007 0.000 2.137 285 Q HA 0.042 4.382 4.340 0.001 0.000 0.198 285 Q C 1.892 177.933 176.000 0.069 0.000 0.960 285 Q CA 1.234 57.052 55.803 0.024 0.000 0.847 285 Q CB 0.099 28.841 28.738 0.008 0.000 0.915 285 Q HN 0.207 nan 8.270 nan 0.000 0.448 286 M N -0.735 118.924 119.600 0.099 0.000 2.117 286 M HA -0.154 4.326 4.480 0.001 0.000 0.262 286 M C 2.094 178.539 176.300 0.242 0.000 1.065 286 M CA 1.609 57.019 55.300 0.185 0.000 1.114 286 M CB -0.336 32.448 32.600 0.307 0.000 1.361 286 M HN 0.320 nan 8.290 nan 0.000 0.408 287 A N 0.139 123.151 122.820 0.321 0.000 1.877 287 A HA -0.175 4.145 4.320 0.001 0.000 0.216 287 A C 2.064 179.757 177.584 0.181 0.000 1.186 287 A CA 1.470 53.684 52.037 0.295 0.000 0.620 287 A CB -0.848 18.338 19.000 0.311 0.000 0.822 287 A HN 0.402 nan 8.150 nan 0.000 0.443 288 L N 0.133 121.429 121.223 0.121 0.000 2.017 288 L HA -0.173 4.167 4.340 0.001 0.000 0.208 288 L C 1.826 178.771 176.870 0.125 0.000 1.073 288 L CA 2.424 57.313 54.840 0.082 0.000 0.745 288 L CB -0.671 41.416 42.059 0.047 0.000 0.894 288 L HN 0.360 nan 8.230 nan 0.000 0.432 289 D N -0.377 120.089 120.400 0.109 0.000 2.104 289 D HA -0.182 4.458 4.640 0.001 0.000 0.194 289 D C 2.190 178.557 176.300 0.112 0.000 0.994 289 D CA 1.591 55.650 54.000 0.099 0.000 0.830 289 D CB -0.323 40.523 40.800 0.077 0.000 0.959 289 D HN 0.447 nan 8.370 nan 0.000 0.452 290 A N -0.059 122.833 122.820 0.120 0.000 1.978 290 A HA -0.229 4.092 4.320 0.001 0.000 0.220 290 A C 2.171 179.832 177.584 0.128 0.000 1.170 290 A CA 1.215 53.310 52.037 0.097 0.000 0.636 290 A CB -1.002 18.039 19.000 0.068 0.000 0.810 290 A HN 0.310 nan 8.150 nan 0.000 0.448 291 Y N 1.002 121.320 120.300 0.029 0.000 2.097 291 Y HA -0.239 4.311 4.550 0.000 0.000 0.282 291 Y C 2.344 178.250 175.900 0.009 0.000 1.152 291 Y CA 2.347 60.459 58.100 0.021 0.000 1.136 291 Y CB -0.019 38.465 38.460 0.040 0.000 0.975 291 Y HN 0.211 nan 8.280 nan 0.000 0.498 292 K N -0.576 119.944 120.400 0.200 0.000 2.026 292 K HA -0.143 4.177 4.320 0.001 0.000 0.208 292 K C 2.125 178.741 176.600 0.026 0.000 1.048 292 K CA 1.631 57.975 56.287 0.096 0.000 0.929 292 K CB -1.107 31.456 32.500 0.105 0.000 0.713 292 K HN 0.271 nan 8.250 nan 0.000 0.439 293 V N 1.892 121.827 119.914 0.036 0.000 2.287 293 V HA -0.219 3.901 4.120 0.001 0.000 0.248 293 V C 2.237 178.324 176.094 -0.011 0.000 1.053 293 V CA 1.444 63.754 62.300 0.016 0.000 1.027 293 V CB -0.417 31.421 31.823 0.025 0.000 0.646 293 V HN 0.155 nan 8.190 nan 0.000 0.447 294 L N 0.260 121.465 121.223 -0.030 0.000 2.622 294 L HA 0.107 4.447 4.340 0.001 0.000 0.233 294 L C 1.285 178.091 176.870 -0.107 0.000 1.156 294 L CA 0.798 55.599 54.840 -0.064 0.000 0.866 294 L CB -1.782 40.232 42.059 -0.074 0.000 0.980 294 L HN 0.533 nan 8.230 nan 0.000 0.448 295 N N -0.025 118.606 118.700 -0.115 0.000 2.754 295 N HA -0.209 4.532 4.740 0.001 0.000 0.248 295 N C -0.222 175.151 175.510 -0.227 0.000 1.093 295 N CA 0.450 53.424 53.050 -0.127 0.000 0.699 295 N CB -1.057 37.389 38.487 -0.068 0.000 1.016 295 N HN 0.259 nan 8.380 nan 0.000 0.552 296 L N 0.277 121.235 121.223 -0.442 0.000 2.421 296 L HA 0.533 4.873 4.340 0.001 0.000 0.263 296 L C 0.928 177.393 176.870 -0.676 0.000 1.122 296 L CA -0.406 54.042 54.840 -0.653 0.000 0.804 296 L CB 0.966 42.449 42.059 -0.960 0.000 1.150 296 L HN -0.038 nan 8.230 nan 0.000 0.457 297 R N 0.152 120.418 120.500 -0.390 0.000 2.764 297 R HA 0.477 4.817 4.340 0.001 0.000 0.270 297 R C 0.335 176.624 176.300 -0.018 0.000 1.014 297 R CA -0.106 55.918 56.100 -0.127 0.000 0.904 297 R CB 1.093 31.351 30.300 -0.070 0.000 1.236 297 R HN 0.784 nan 8.270 nan 0.000 0.466 298 G N 1.298 110.088 108.800 -0.018 0.000 5.266 298 G HA2 -0.380 3.581 3.960 0.001 0.000 0.262 298 G HA3 -0.380 3.581 3.960 0.001 0.000 0.262 298 G C -0.189 174.752 174.900 0.068 0.000 1.359 298 G CA 1.098 46.185 45.100 -0.022 0.000 0.955 298 G HN 0.812 nan 8.290 nan 0.000 0.754 299 E N -0.634 119.647 120.200 0.135 0.000 2.413 299 E HA 0.779 5.130 4.350 0.001 0.000 0.277 299 E C -0.628 176.098 176.600 0.210 0.000 0.958 299 E CA -0.522 56.013 56.400 0.224 0.000 0.779 299 E CB 1.942 31.748 29.700 0.176 0.000 1.278 299 E HN 2.010 nan 8.360 nan 0.000 0.456 300 A N 1.288 124.270 122.820 0.269 0.000 2.549 300 A HA 0.692 5.012 4.320 0.001 0.000 0.291 300 A C -1.676 176.066 177.584 0.264 0.000 1.034 300 A CA -0.789 51.365 52.037 0.195 0.000 0.655 300 A CB 1.892 21.097 19.000 0.341 0.000 1.299 300 A HN 0.571 nan 8.150 nan 0.000 0.427 301 R N 0.598 121.202 120.500 0.173 0.000 2.514 301 R HA 0.628 4.969 4.340 0.001 0.000 0.296 301 R C -1.736 174.667 176.300 0.172 0.000 1.012 301 R CA -0.699 55.550 56.100 0.248 0.000 0.897 301 R CB 1.397 31.836 30.300 0.232 0.000 1.184 301 R HN 0.756 nan 8.270 nan 0.000 0.440 302 M N 3.060 122.773 119.600 0.189 0.000 2.180 302 M HA 0.285 4.765 4.480 0.001 0.000 0.350 302 M C -1.152 175.187 176.300 0.065 0.000 1.125 302 M CA -0.129 55.214 55.300 0.071 0.000 1.031 302 M CB 1.425 34.083 32.600 0.097 0.000 1.623 302 M HN 0.367 nan 8.290 nan 0.000 0.451 303 D N 3.447 123.795 120.400 -0.088 0.000 2.163 303 D HA 0.534 5.174 4.640 0.001 0.000 0.248 303 D C -1.095 175.070 176.300 -0.225 0.000 1.035 303 D CA 0.178 54.182 54.000 0.007 0.000 0.872 303 D CB 0.969 41.806 40.800 0.062 0.000 1.183 303 D HN 0.260 nan 8.370 nan 0.000 0.445 304 F N 0.265 120.240 119.950 0.040 0.000 2.577 304 F HA 0.499 5.026 4.527 0.000 0.000 0.318 304 F C -0.071 175.733 175.800 0.006 0.000 1.065 304 F CA -0.964 57.052 58.000 0.027 0.000 0.929 304 F CB 1.367 40.377 39.000 0.018 0.000 1.237 304 F HN -0.043 nan 8.300 nan 0.000 0.468 305 L N 2.921 124.283 121.223 0.233 0.000 2.329 305 L HA 0.554 4.895 4.340 0.001 0.000 0.279 305 L C -1.331 175.662 176.870 0.206 0.000 1.014 305 L CA -0.989 53.923 54.840 0.120 0.000 0.814 305 L CB 1.821 43.890 42.059 0.015 0.000 1.257 305 L HN 0.357 nan 8.230 nan 0.000 0.424 306 L N 3.260 124.547 121.223 0.108 0.000 2.325 306 L HA 0.362 4.702 4.340 0.001 0.000 0.281 306 L C -0.137 176.790 176.870 0.096 0.000 1.004 306 L CA -0.361 54.548 54.840 0.114 0.000 0.823 306 L CB 1.311 43.386 42.059 0.027 0.000 1.236 306 L HN 0.572 nan 8.230 nan 0.000 0.415 307 D N 2.022 122.523 120.400 0.169 0.000 2.414 307 D HA 0.035 4.676 4.640 0.001 0.000 0.251 307 D C 0.752 177.088 176.300 0.060 0.000 1.252 307 D CA -0.164 53.898 54.000 0.104 0.000 0.999 307 D CB 0.701 41.610 40.800 0.181 0.000 1.093 307 D HN 0.493 nan 8.370 nan 0.000 0.515 308 E N -0.453 119.772 120.200 0.041 0.000 2.097 308 E HA -0.194 4.156 4.350 0.001 0.000 0.196 308 E C 1.139 177.753 176.600 0.024 0.000 1.000 308 E CA 1.591 58.005 56.400 0.025 0.000 0.804 308 E CB -0.439 29.272 29.700 0.020 0.000 0.740 308 E HN 0.501 nan 8.360 nan 0.000 0.454 309 N N 0.966 119.687 118.700 0.035 0.000 2.370 309 N HA 0.018 4.759 4.740 0.001 0.000 0.198 309 N C -0.368 175.153 175.510 0.018 0.000 1.156 309 N CA 0.156 53.220 53.050 0.024 0.000 0.839 309 N CB 0.125 38.628 38.487 0.026 0.000 0.989 309 N HN 0.065 nan 8.380 nan 0.000 0.468 310 N N 0.424 119.139 118.700 0.025 0.000 2.776 310 N HA -0.126 4.614 4.740 0.001 0.000 0.249 310 N C -0.979 174.534 175.510 0.005 0.000 1.111 310 N CA 0.328 53.384 53.050 0.010 0.000 0.711 310 N CB -1.405 37.073 38.487 -0.014 0.000 1.065 310 N HN 0.059 nan 8.380 nan 0.000 0.556 311 V N 1.948 121.887 119.914 0.041 0.000 2.432 311 V HA 0.361 4.482 4.120 0.001 0.000 0.275 311 V C -1.613 174.476 176.094 -0.009 0.000 1.043 311 V CA -1.047 61.241 62.300 -0.020 0.000 0.925 311 V CB 1.691 33.494 31.823 -0.034 0.000 0.985 311 V HN 0.021 nan 8.190 nan 0.000 0.466 312 P HA 0.340 nan 4.420 nan 0.000 0.285 312 P C -1.674 175.585 177.300 -0.068 0.000 1.259 312 P CA -0.382 62.719 63.100 0.003 0.000 0.794 312 P CB 0.705 32.356 31.700 -0.081 0.000 0.940 313 Y N 1.889 122.300 120.300 0.184 0.000 2.350 313 Y HA 0.213 4.763 4.550 0.001 0.000 0.338 313 Y C 0.607 176.583 175.900 0.127 0.000 0.961 313 Y CA -1.194 56.984 58.100 0.130 0.000 1.100 313 Y CB 1.660 40.145 38.460 0.042 0.000 1.179 313 Y HN 0.205 nan 8.280 nan 0.000 0.454 314 L N 4.409 125.702 121.223 0.115 0.000 2.530 314 L HA 0.169 4.510 4.340 0.001 0.000 0.273 314 L C 0.982 177.728 176.870 -0.206 0.000 1.141 314 L CA 0.847 55.504 54.840 -0.305 0.000 0.905 314 L CB 0.023 41.938 42.059 -0.239 0.000 1.202 314 L HN 0.978 nan 8.230 nan 0.000 0.473 315 G N 5.166 113.809 108.800 -0.261 0.000 2.456 315 G HA2 -0.065 3.896 3.960 0.001 0.000 0.213 315 G HA3 -0.065 3.896 3.960 0.001 0.000 0.213 315 G C 0.320 175.112 174.900 -0.181 0.000 1.215 315 G CA 0.389 45.390 45.100 -0.164 0.000 0.805 315 G HN 0.690 nan 8.290 nan 0.000 0.537 316 E N -0.155 119.930 120.200 -0.191 0.000 2.388 316 E HA 0.282 4.632 4.350 0.001 0.000 0.281 316 E C -3.252 173.280 176.600 -0.112 0.000 1.046 316 E CA -1.543 54.772 56.400 -0.141 0.000 0.825 316 E CB 2.927 32.566 29.700 -0.102 0.000 1.243 316 E HN 0.101 nan 8.360 nan 0.000 0.438 317 P HA 0.386 nan 4.420 nan 0.000 0.287 317 P C -1.182 176.125 177.300 0.012 0.000 1.270 317 P CA -0.801 62.282 63.100 -0.027 0.000 0.844 317 P CB 0.909 32.592 31.700 -0.028 0.000 1.068 318 N N 0.799 119.520 118.700 0.035 0.000 2.577 318 N HA 0.089 4.829 4.740 0.001 0.000 0.275 318 N C 1.015 176.537 175.510 0.020 0.000 1.091 318 N CA -0.164 52.917 53.050 0.052 0.000 0.843 318 N CB 1.462 39.986 38.487 0.060 0.000 1.295 318 N HN 0.401 nan 8.380 nan 0.000 0.530 319 T N -0.993 113.562 114.554 0.001 0.000 2.881 319 T HA -0.003 4.347 4.350 0.001 0.000 0.270 319 T C 0.934 175.625 174.700 -0.015 0.000 1.068 319 T CA 0.925 62.966 62.100 -0.098 0.000 1.131 319 T CB 0.191 68.840 68.868 -0.366 0.000 0.871 319 T HN 0.366 nan 8.240 nan 0.000 0.479 320 L N 2.537 123.812 121.223 0.088 0.000 2.594 320 L HA 0.374 4.714 4.340 0.001 0.000 0.245 320 L C -2.521 174.462 176.870 0.189 0.000 1.460 320 L CA -2.237 52.687 54.840 0.140 0.000 0.865 320 L CB 1.361 43.546 42.059 0.209 0.000 1.131 320 L HN 0.031 nan 8.230 nan 0.000 0.506 321 P HA -0.022 nan 4.420 nan 0.000 0.267 321 P C 0.429 177.839 177.300 0.183 0.000 1.201 321 P CA 0.189 63.275 63.100 -0.023 0.000 0.775 321 P CB 0.848 32.341 31.700 -0.344 0.000 0.854 322 G N 0.411 109.287 108.800 0.127 0.000 2.614 322 G HA2 0.180 4.141 3.960 0.001 0.000 0.239 322 G HA3 0.180 4.141 3.960 0.001 0.000 0.239 322 G C -0.842 174.328 174.900 0.451 0.000 1.240 322 G CA -0.258 44.967 45.100 0.210 0.000 0.842 322 G HN 0.512 nan 8.290 nan 0.000 0.584 323 F N 0.383 120.441 119.950 0.180 0.000 2.671 323 F HA 0.294 4.822 4.527 0.000 0.000 0.384 323 F C 0.868 176.643 175.800 -0.041 0.000 1.351 323 F CA -0.481 57.515 58.000 -0.007 0.000 1.151 323 F CB 0.588 39.295 39.000 -0.488 0.000 1.147 323 F HN 0.621 nan 8.300 nan 0.000 0.513 324 T N -0.944 113.647 114.554 0.062 0.000 2.810 324 T HA 0.150 4.500 4.350 0.001 0.000 0.277 324 T C 1.417 176.051 174.700 -0.110 0.000 0.973 324 T CA -0.387 61.713 62.100 0.000 0.000 0.949 324 T CB 0.781 69.706 68.868 0.095 0.000 1.075 324 T HN 0.298 nan 8.240 nan 0.000 0.537 325 N N 0.899 119.545 118.700 -0.090 0.000 2.585 325 N HA -0.061 4.679 4.740 0.001 0.000 0.188 325 N C 1.155 176.585 175.510 -0.133 0.000 1.102 325 N CA 0.963 53.941 53.050 -0.121 0.000 0.920 325 N CB -0.167 38.271 38.487 -0.081 0.000 0.963 325 N HN 0.682 nan 8.380 nan 0.000 0.447 326 M N -2.783 116.748 119.600 -0.114 0.000 2.347 326 M HA 0.346 4.826 4.480 0.001 0.000 0.324 326 M C -0.049 176.117 176.300 -0.223 0.000 1.028 326 M CA -0.271 54.923 55.300 -0.176 0.000 0.988 326 M CB 0.569 33.129 32.600 -0.067 0.000 1.528 326 M HN -0.349 nan 8.290 nan 0.000 0.550 327 S N 1.501 117.118 115.700 -0.138 0.000 2.545 327 S HA 0.345 4.815 4.470 0.001 0.000 0.275 327 S C 0.842 175.378 174.600 -0.106 0.000 1.299 327 S CA -0.611 57.553 58.200 -0.061 0.000 1.048 327 S CB 1.034 64.267 63.200 0.054 0.000 0.938 327 S HN 0.395 nan 8.310 nan 0.000 0.496 328 L N 2.513 123.712 121.223 -0.041 0.000 2.156 328 L HA 0.127 4.467 4.340 0.001 0.000 0.208 328 L C 1.595 178.517 176.870 0.088 0.000 1.095 328 L CA 1.372 56.192 54.840 -0.033 0.000 0.770 328 L CB -0.944 41.132 42.059 0.029 0.000 0.914 328 L HN 0.781 nan 8.230 nan 0.000 0.439 329 F N -0.044 119.966 119.950 0.099 0.000 2.641 329 F HA -0.146 4.382 4.527 0.000 0.000 0.298 329 F C 2.267 178.249 175.800 0.303 0.000 1.146 329 F CA 0.997 59.166 58.000 0.282 0.000 1.464 329 F CB -0.059 39.188 39.000 0.412 0.000 1.101 329 F HN 0.020 nan 8.300 nan 0.000 0.585 330 K N -0.539 119.868 120.400 0.012 0.000 2.379 330 K HA 0.003 4.323 4.320 0.001 0.000 0.194 330 K C 2.031 178.500 176.600 -0.219 0.000 1.031 330 K CA 0.230 56.256 56.287 -0.436 0.000 1.037 330 K CB 0.286 32.294 32.500 -0.820 0.000 0.824 330 K HN 0.223 nan 8.250 nan 0.000 0.516 331 R N -0.104 120.331 120.500 -0.109 0.000 2.167 331 R HA 0.217 4.557 4.340 0.001 0.000 0.195 331 R C 1.922 178.244 176.300 0.037 0.000 1.027 331 R CA 0.311 56.385 56.100 -0.043 0.000 1.114 331 R CB -0.230 30.026 30.300 -0.073 0.000 1.075 331 R HN 0.032 nan 8.270 nan 0.000 0.538 332 L N -0.187 120.992 121.223 -0.073 0.000 2.030 332 L HA -0.265 4.075 4.340 0.001 0.000 0.222 332 L C 1.745 178.521 176.870 -0.157 0.000 1.082 332 L CA 1.970 56.686 54.840 -0.207 0.000 0.785 332 L CB -0.552 41.246 42.059 -0.435 0.000 0.895 332 L HN 0.343 nan 8.230 nan 0.000 0.439 333 W N -0.074 121.211 121.300 -0.023 0.000 2.721 333 W HA -0.117 4.543 4.660 0.001 0.000 0.245 333 W C 2.113 178.659 176.519 0.045 0.000 1.276 333 W CA 0.185 57.528 57.345 -0.003 0.000 1.342 333 W CB -0.388 29.029 29.460 -0.072 0.000 1.135 333 W HN 0.176 nan 8.180 nan 0.000 0.654 334 D N -0.951 119.580 120.400 0.219 0.000 2.219 334 D HA -0.166 4.474 4.640 0.001 0.000 0.205 334 D C 1.164 177.474 176.300 0.017 0.000 0.970 334 D CA 1.192 55.244 54.000 0.087 0.000 0.851 334 D CB -0.420 40.375 40.800 -0.010 0.000 0.943 334 D HN 0.260 nan 8.370 nan 0.000 0.488 335 Y N 0.347 120.644 120.300 -0.004 0.000 2.553 335 Y HA 0.077 4.627 4.550 0.001 0.000 0.303 335 Y C 1.341 177.246 175.900 0.008 0.000 1.194 335 Y CA 0.328 58.417 58.100 -0.019 0.000 1.305 335 Y CB 0.306 38.727 38.460 -0.066 0.000 1.045 335 Y HN -0.202 nan 8.280 nan 0.000 0.514 336 S N -0.755 115.052 115.700 0.178 0.000 2.843 336 S HA 0.111 4.581 4.470 0.001 0.000 0.249 336 S C -0.363 174.327 174.600 0.150 0.000 1.047 336 S CA -0.307 57.999 58.200 0.177 0.000 1.042 336 S CB -0.003 63.362 63.200 0.274 0.000 0.936 336 S HN 0.329 nan 8.310 nan 0.000 0.531 337 D N 1.233 121.690 120.400 0.095 0.000 2.945 337 D HA -0.153 4.488 4.640 0.001 0.000 0.225 337 D C -0.640 175.710 176.300 0.083 0.000 1.158 337 D CA 0.793 54.831 54.000 0.063 0.000 0.805 337 D CB -1.152 39.678 40.800 0.050 0.000 1.098 337 D HN 0.490 nan 8.370 nan 0.000 0.426 338 I N 1.509 122.156 120.570 0.128 0.000 2.537 338 I HA 0.160 4.330 4.170 0.001 0.000 0.276 338 I C 0.810 177.008 176.117 0.135 0.000 1.063 338 I CA -0.713 60.664 61.300 0.128 0.000 1.144 338 I CB 0.598 38.695 38.000 0.161 0.000 1.252 338 I HN 0.047 nan 8.210 nan 0.000 0.480 339 N N 3.813 122.566 118.700 0.088 0.000 2.347 339 N HA 0.160 4.901 4.740 0.001 0.000 0.253 339 N C 0.460 176.039 175.510 0.115 0.000 1.274 339 N CA -0.745 52.355 53.050 0.083 0.000 0.941 339 N CB 0.640 39.154 38.487 0.045 0.000 1.200 339 N HN 0.438 nan 8.380 nan 0.000 0.514 340 N N -0.308 118.469 118.700 0.128 0.000 2.132 340 N HA -0.289 4.451 4.740 0.001 0.000 0.191 340 N C 1.710 177.335 175.510 0.191 0.000 1.015 340 N CA 1.423 54.605 53.050 0.221 0.000 0.864 340 N CB -0.272 38.334 38.487 0.198 0.000 1.006 340 N HN 0.650 nan 8.380 nan 0.000 0.430 341 A N 1.676 124.568 122.820 0.121 0.000 1.841 341 A HA -0.165 4.155 4.320 0.001 0.000 0.214 341 A C 2.142 179.782 177.584 0.093 0.000 1.195 341 A CA 1.480 53.575 52.037 0.097 0.000 0.611 341 A CB -0.490 18.548 19.000 0.062 0.000 0.835 341 A HN 0.080 nan 8.150 nan 0.000 0.443 342 K N -0.516 119.927 120.400 0.072 0.000 2.209 342 K HA -0.090 4.231 4.320 0.001 0.000 0.204 342 K C 1.646 178.271 176.600 0.041 0.000 1.048 342 K CA 1.130 57.446 56.287 0.049 0.000 0.940 342 K CB -0.533 31.990 32.500 0.037 0.000 0.729 342 K HN 0.344 nan 8.250 nan 0.000 0.451 343 L N 0.253 121.515 121.223 0.065 0.000 1.961 343 L HA -0.136 4.204 4.340 0.001 0.000 0.210 343 L C 2.103 179.029 176.870 0.094 0.000 1.072 343 L CA 2.124 56.986 54.840 0.037 0.000 0.749 343 L CB -0.934 41.186 42.059 0.102 0.000 0.889 343 L HN 0.182 nan 8.230 nan 0.000 0.432 344 V N -2.948 117.072 119.914 0.176 0.000 2.759 344 V HA -0.181 3.939 4.120 0.001 0.000 0.256 344 V C 2.144 178.343 176.094 0.175 0.000 1.080 344 V CA 1.923 64.367 62.300 0.240 0.000 1.101 344 V CB -1.082 30.877 31.823 0.226 0.000 0.698 344 V HN 0.558 nan 8.190 nan 0.000 0.477 345 D N 0.177 120.658 120.400 0.134 0.000 2.123 345 D HA -0.102 4.538 4.640 0.001 0.000 0.200 345 D C 2.063 178.388 176.300 0.042 0.000 0.976 345 D CA 1.800 55.889 54.000 0.150 0.000 0.831 345 D CB -0.193 40.683 40.800 0.127 0.000 0.974 345 D HN 0.448 nan 8.370 nan 0.000 0.469 346 M N -0.390 119.182 119.600 -0.046 0.000 2.132 346 M HA -0.074 4.406 4.480 0.001 0.000 0.263 346 M C 2.182 178.329 176.300 -0.254 0.000 1.065 346 M CA 0.917 56.062 55.300 -0.259 0.000 1.122 346 M CB -0.144 32.317 32.600 -0.231 0.000 1.365 346 M HN 0.110 nan 8.290 nan 0.000 0.411 347 L N -0.116 121.118 121.223 0.018 0.000 2.083 347 L HA -0.221 4.119 4.340 0.001 0.000 0.209 347 L C 2.308 179.173 176.870 -0.009 0.000 1.083 347 L CA 1.258 56.163 54.840 0.109 0.000 0.752 347 L CB -0.566 41.530 42.059 0.061 0.000 0.899 347 L HN 0.336 nan 8.230 nan 0.000 0.433 348 I N -0.482 120.070 120.570 -0.030 0.000 2.353 348 I HA -0.244 3.926 4.170 0.001 0.000 0.248 348 I C 2.048 178.149 176.117 -0.026 0.000 1.119 348 I CA 0.955 62.188 61.300 -0.111 0.000 1.417 348 I CB -0.303 37.621 38.000 -0.127 0.000 1.078 348 I HN 0.229 nan 8.210 nan 0.000 0.421 349 D N 0.318 120.738 120.400 0.035 0.000 2.117 349 D HA -0.194 4.447 4.640 0.001 0.000 0.197 349 D C 2.078 178.415 176.300 0.061 0.000 0.987 349 D CA 1.502 55.548 54.000 0.077 0.000 0.829 349 D CB -0.331 40.417 40.800 -0.086 0.000 0.961 349 D HN 0.273 nan 8.370 nan 0.000 0.460 350 Y N 1.233 121.554 120.300 0.035 0.000 2.165 350 Y HA -0.075 4.475 4.550 0.001 0.000 0.286 350 Y C 2.650 178.529 175.900 -0.035 0.000 1.155 350 Y CA 1.134 59.238 58.100 0.006 0.000 1.164 350 Y CB -1.033 37.419 38.460 -0.015 0.000 0.978 350 Y HN -0.003 nan 8.280 nan 0.000 0.513 351 G N -1.030 107.786 108.800 0.027 0.000 2.418 351 G HA2 -0.247 3.713 3.960 0.001 0.000 0.217 351 G HA3 -0.247 3.713 3.960 0.001 0.000 0.217 351 G C 1.473 176.302 174.900 -0.118 0.000 1.158 351 G CA 0.811 45.811 45.100 -0.167 0.000 0.771 351 G HN 0.286 nan 8.290 nan 0.000 0.545 352 F N 0.851 120.808 119.950 0.012 0.000 2.163 352 F HA 0.085 4.612 4.527 0.000 0.000 0.297 352 F C 2.550 178.413 175.800 0.106 0.000 1.094 352 F CA 1.137 59.166 58.000 0.048 0.000 1.290 352 F CB -0.392 38.627 39.000 0.031 0.000 1.017 352 F HN 0.261 nan 8.300 nan 0.000 0.483 353 E N 0.038 120.404 120.200 0.277 0.000 2.110 353 E HA -0.245 4.105 4.350 0.001 0.000 0.193 353 E C 1.548 178.240 176.600 0.153 0.000 0.988 353 E CA 1.551 58.068 56.400 0.195 0.000 0.804 353 E CB -0.115 29.693 29.700 0.181 0.000 0.745 353 E HN 0.226 nan 8.360 nan 0.000 0.458 354 D N -0.632 119.844 120.400 0.126 0.000 2.194 354 D HA -0.094 4.546 4.640 0.001 0.000 0.204 354 D C 1.524 177.859 176.300 0.059 0.000 0.964 354 D CA 0.420 54.455 54.000 0.059 0.000 0.846 354 D CB -0.200 40.596 40.800 -0.006 0.000 0.962 354 D HN 0.206 nan 8.370 nan 0.000 0.490 355 F N 1.180 121.108 119.950 -0.036 0.000 2.113 355 F HA -0.084 4.443 4.527 0.001 0.000 0.297 355 F C 2.100 177.923 175.800 0.038 0.000 1.103 355 F CA 1.600 59.593 58.000 -0.011 0.000 1.248 355 F CB -0.323 38.693 39.000 0.027 0.000 0.999 355 F HN -0.043 nan 8.300 nan 0.000 0.475 356 A N 0.154 123.090 122.820 0.193 0.000 1.865 356 A HA -0.289 4.031 4.320 0.001 0.000 0.217 356 A C 2.289 179.858 177.584 -0.025 0.000 1.191 356 A CA 1.862 53.949 52.037 0.083 0.000 0.623 356 A CB -1.276 17.808 19.000 0.140 0.000 0.826 356 A HN 0.602 nan 8.150 nan 0.000 0.444 357 Q N -0.319 119.485 119.800 0.006 0.000 2.135 357 Q HA -0.289 4.051 4.340 0.001 0.000 0.204 357 Q C 1.978 177.945 176.000 -0.054 0.000 0.981 357 Q CA 2.133 57.931 55.803 -0.010 0.000 0.856 357 Q CB -0.313 28.435 28.738 0.016 0.000 0.902 357 Q HN 0.675 nan 8.270 nan 0.000 0.425 358 N N 0.392 119.032 118.700 -0.100 0.000 2.166 358 N HA -0.154 4.586 4.740 0.001 0.000 0.186 358 N C 1.433 176.844 175.510 -0.165 0.000 1.019 358 N CA 1.579 54.550 53.050 -0.132 0.000 0.856 358 N CB 0.034 38.419 38.487 -0.170 0.000 0.993 358 N HN 0.200 nan 8.380 nan 0.000 0.426 359 K N -0.039 120.221 120.400 -0.232 0.000 2.057 359 K HA -0.070 4.250 4.320 0.001 0.000 0.207 359 K C 1.797 178.339 176.600 -0.097 0.000 1.049 359 K CA 1.101 57.273 56.287 -0.193 0.000 0.931 359 K CB 0.056 32.434 32.500 -0.204 0.000 0.714 359 K HN 0.115 nan 8.250 nan 0.000 0.440 360 K N 0.905 121.263 120.400 -0.071 0.000 2.057 360 K HA -0.087 4.233 4.320 0.001 0.000 0.207 360 K C 1.645 178.226 176.600 -0.033 0.000 1.049 360 K CA 1.040 57.304 56.287 -0.039 0.000 0.931 360 K CB -0.409 32.077 32.500 -0.023 0.000 0.714 360 K HN 0.203 nan 8.250 nan 0.000 0.440 361 L N 1.878 123.079 121.223 -0.037 0.000 2.949 361 L HA -0.005 4.335 4.340 0.001 0.000 0.263 361 L C 0.963 177.817 176.870 -0.027 0.000 1.190 361 L CA -0.130 54.694 54.840 -0.026 0.000 1.022 361 L CB -0.598 41.447 42.059 -0.024 0.000 1.313 361 L HN 0.023 nan 8.230 nan 0.000 0.413 362 S N 0.000 115.682 115.700 -0.030 0.000 2.498 362 S HA 0.000 4.470 4.470 0.001 0.000 0.327 362 S CA 0.000 58.185 58.200 -0.025 0.000 1.107 362 S CB 0.000 63.179 63.200 -0.035 0.000 0.593 362 S HN 0.000 nan 8.310 nan 0.000 0.517