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 1twy_1_E DATA FIRST_RESID 29 DATA SEQUENCE EITISGSTSV ARIXDVLAEK YNQQHPETYV AVQGVGSTAG ISLLKKGVAD DATA SEQUENCE IAXTSRYLTE SEAQNTLHTF TLAFDGLAIV VNQANPVTNL TREQLYGIYK DATA SEQUENCE GQITNWKQVG GNDQKIAVVT REASSGTRYS FESLXGLTKT VKDREVSDVA DATA SEQUENCE PTALVVNSNS XXKTLVNHNT QAVGFISIGS VDKSVKAIQF EKADPTSDNI DATA SEQUENCE AKHTYQLSRP FLILHYSDNA DEQTKEFIAF LKSESAKKLI VEYGYIXP 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 29 E HA 0.000 nan 4.350 nan 0.000 0.291 29 E C 0.000 176.597 176.600 -0.004 0.000 1.382 29 E CA 0.000 56.428 56.400 0.046 0.000 0.976 29 E CB 0.000 29.739 29.700 0.065 0.000 0.812 30 I N 3.430 123.955 120.570 -0.074 0.000 2.382 30 I HA 0.325 4.495 4.170 -0.000 0.000 0.286 30 I C -0.435 175.577 176.117 -0.176 0.000 1.002 30 I CA -0.496 60.722 61.300 -0.136 0.000 1.135 30 I CB 2.067 39.916 38.000 -0.252 0.000 1.288 30 I HN 0.397 nan 8.210 nan 0.000 0.448 31 T N 7.385 121.877 114.554 -0.102 0.000 2.749 31 T HA 0.504 4.854 4.350 -0.000 0.000 0.287 31 T C -0.315 174.327 174.700 -0.096 0.000 0.970 31 T CA -0.189 61.852 62.100 -0.099 0.000 0.980 31 T CB 0.982 69.822 68.868 -0.045 0.000 0.924 31 T HN 0.379 nan 8.240 nan 0.000 0.456 32 I N 2.989 123.483 120.570 -0.127 0.000 2.382 32 I HA 0.516 4.686 4.170 -0.000 0.000 0.286 32 I C -0.697 175.364 176.117 -0.093 0.000 1.002 32 I CA -0.155 61.089 61.300 -0.093 0.000 1.135 32 I CB 0.845 38.800 38.000 -0.075 0.000 1.288 32 I HN 0.519 nan 8.210 nan 0.000 0.448 33 S N 4.875 120.526 115.700 -0.081 0.000 2.536 33 S HA 0.990 5.460 4.470 -0.000 0.000 0.287 33 S C -0.005 174.538 174.600 -0.095 0.000 1.101 33 S CA -0.069 58.083 58.200 -0.080 0.000 0.950 33 S CB 1.854 65.019 63.200 -0.058 0.000 1.056 33 S HN 1.130 nan 8.310 nan 0.000 0.481 34 G N 1.385 110.123 108.800 -0.103 0.000 2.233 34 G HA2 0.111 4.071 3.960 -0.000 0.000 0.162 34 G HA3 0.111 4.071 3.960 -0.000 0.000 0.162 34 G C -0.251 174.565 174.900 -0.140 0.000 1.327 34 G CA -0.262 44.768 45.100 -0.116 0.000 1.187 34 G HN 1.077 nan 8.290 nan 0.000 0.479 35 S N 0.791 116.385 115.700 -0.175 0.000 2.810 35 S HA 0.248 4.718 4.470 -0.000 0.000 0.329 35 S C 2.001 176.479 174.600 -0.203 0.000 1.231 35 S CA 1.722 59.800 58.200 -0.204 0.000 1.042 35 S CB 0.291 63.316 63.200 -0.291 0.000 0.756 35 S HN 1.913 nan 8.310 nan 0.000 0.504 36 T N 2.472 116.937 114.554 -0.149 0.000 3.023 36 T HA -0.030 4.320 4.350 -0.000 0.000 0.266 36 T C 1.871 176.498 174.700 -0.122 0.000 1.093 36 T CA 1.000 63.032 62.100 -0.113 0.000 1.129 36 T CB -0.383 68.447 68.868 -0.064 0.000 0.899 36 T HN 0.540 nan 8.240 nan 0.000 0.491 37 S N 1.773 117.382 115.700 -0.153 0.000 2.348 37 S HA -0.058 4.412 4.470 -0.000 0.000 0.221 37 S C 2.208 176.549 174.600 -0.433 0.000 1.033 37 S CA 1.239 59.350 58.200 -0.148 0.000 1.010 37 S CB -0.697 62.474 63.200 -0.048 0.000 0.891 37 S HN 0.417 nan 8.310 nan 0.000 0.442 38 V N 2.221 121.663 119.914 -0.787 0.000 2.515 38 V HA -0.104 4.016 4.120 -0.000 0.000 0.250 38 V C 2.612 178.443 176.094 -0.437 0.000 1.058 38 V CA 1.434 63.166 62.300 -0.947 0.000 1.064 38 V CB -1.305 29.999 31.823 -0.865 0.000 0.675 38 V HN 0.545 nan 8.190 nan 0.000 0.461 39 A N 0.163 122.811 122.820 -0.288 0.000 2.067 39 A HA -0.151 4.169 4.320 -0.000 0.000 0.219 39 A C 2.361 179.873 177.584 -0.121 0.000 1.158 39 A CA 1.075 53.007 52.037 -0.175 0.000 0.661 39 A CB -0.401 18.521 19.000 -0.128 0.000 0.801 39 A HN 0.495 nan 8.150 nan 0.000 0.452 40 R N -0.844 119.599 120.500 -0.096 0.000 2.083 40 R HA -0.096 4.244 4.340 -0.000 0.000 0.237 40 R C 1.045 177.317 176.300 -0.045 0.000 1.137 40 R CA 1.108 57.198 56.100 -0.016 0.000 0.951 40 R CB -0.832 29.521 30.300 0.087 0.000 0.851 40 R HN 0.547 nan 8.270 nan 0.000 0.434 44 V N 1.952 121.832 119.914 -0.057 0.000 2.358 44 V HA -0.105 4.015 4.120 -0.000 0.000 0.246 44 V C 2.633 178.758 176.094 0.051 0.000 1.047 44 V CA 1.370 63.638 62.300 -0.054 0.000 1.035 44 V CB -0.432 31.228 31.823 -0.271 0.000 0.658 44 V HN 0.154 nan 8.190 nan 0.000 0.452 45 L N 0.237 121.518 121.223 0.097 0.000 2.056 45 L HA -0.112 4.228 4.340 -0.000 0.000 0.207 45 L C 2.753 179.836 176.870 0.356 0.000 1.078 45 L CA 1.579 56.599 54.840 0.299 0.000 0.749 45 L CB -0.818 41.401 42.059 0.266 0.000 0.901 45 L HN 0.341 nan 8.230 nan 0.000 0.433 46 A N -0.013 122.935 122.820 0.214 0.000 1.933 46 A HA -0.245 4.075 4.320 -0.000 0.000 0.218 46 A C 2.184 179.785 177.584 0.028 0.000 1.175 46 A CA 1.814 53.892 52.037 0.067 0.000 0.628 46 A CB -0.455 18.469 19.000 -0.126 0.000 0.814 46 A HN 0.409 nan 8.150 nan 0.000 0.444 47 E N 0.504 120.732 120.200 0.046 0.000 2.085 47 E HA -0.235 4.115 4.350 -0.000 0.000 0.194 47 E C 1.926 178.570 176.600 0.073 0.000 0.994 47 E CA 2.058 58.492 56.400 0.058 0.000 0.801 47 E CB -0.240 29.498 29.700 0.063 0.000 0.743 47 E HN 0.603 nan 8.360 nan 0.000 0.453 48 K N -1.151 119.311 120.400 0.104 0.000 2.025 48 K HA -0.189 4.131 4.320 -0.000 0.000 0.207 48 K C 2.268 178.872 176.600 0.007 0.000 1.049 48 K CA 1.460 57.806 56.287 0.097 0.000 0.933 48 K CB -0.645 31.975 32.500 0.199 0.000 0.714 48 K HN 0.239 nan 8.250 nan 0.000 0.438 49 Y N 1.637 121.788 120.300 -0.249 0.000 2.165 49 Y HA -0.243 4.307 4.550 -0.000 0.000 0.286 49 Y C 1.780 177.593 175.900 -0.145 0.000 1.155 49 Y CA 1.956 59.808 58.100 -0.413 0.000 1.164 49 Y CB -0.210 37.936 38.460 -0.523 0.000 0.978 49 Y HN 0.249 nan 8.280 nan 0.000 0.513 50 N N 0.312 119.035 118.700 0.039 0.000 2.104 50 N HA -0.206 4.534 4.740 -0.000 0.000 0.190 50 N C 1.728 177.259 175.510 0.035 0.000 1.024 50 N CA 1.841 54.921 53.050 0.050 0.000 0.853 50 N CB -0.494 38.043 38.487 0.085 0.000 1.008 50 N HN 0.575 nan 8.380 nan 0.000 0.424 51 Q N 0.532 120.346 119.800 0.023 0.000 2.096 51 Q HA -0.111 4.229 4.340 -0.000 0.000 0.204 51 Q C 1.827 177.812 176.000 -0.024 0.000 0.982 51 Q CA 1.170 56.979 55.803 0.010 0.000 0.850 51 Q CB -0.159 28.593 28.738 0.022 0.000 0.901 51 Q HN 0.521 nan 8.270 nan 0.000 0.422 52 Q N -0.485 119.290 119.800 -0.041 0.000 2.369 52 Q HA -0.082 4.258 4.340 -0.000 0.000 0.206 52 Q C -0.042 175.838 176.000 -0.201 0.000 0.963 52 Q CA 0.716 56.472 55.803 -0.077 0.000 0.894 52 Q CB 0.349 29.076 28.738 -0.019 0.000 0.965 52 Q HN 0.427 nan 8.270 nan 0.000 0.475 53 H N -0.915 117.979 119.070 -0.293 0.000 2.439 53 H HA 0.128 4.684 4.556 -0.000 0.000 0.228 53 H C -1.893 173.361 175.328 -0.124 0.000 1.423 53 H CA -1.697 54.185 56.048 -0.276 0.000 1.386 53 H CB 0.830 30.271 29.762 -0.535 0.000 1.641 53 H HN 0.059 nan 8.280 nan 0.000 0.508 54 P HA -0.143 nan 4.420 nan 0.000 0.230 54 P C 1.171 178.483 177.300 0.020 0.000 1.158 54 P CA 0.870 63.975 63.100 0.008 0.000 0.769 54 P CB 0.614 32.304 31.700 -0.016 0.000 0.807 55 E N -0.263 119.944 120.200 0.011 0.000 2.482 55 E HA 0.007 4.357 4.350 -0.000 0.000 0.196 55 E C 0.111 176.746 176.600 0.059 0.000 1.047 55 E CA 0.644 57.058 56.400 0.023 0.000 0.869 55 E CB -0.435 29.268 29.700 0.006 0.000 0.836 55 E HN 0.048 nan 8.360 nan 0.000 0.520 56 T N -0.638 113.972 114.554 0.094 0.000 2.812 56 T HA 0.458 4.808 4.350 -0.000 0.000 0.294 56 T C -2.201 172.602 174.700 0.172 0.000 1.159 56 T CA -0.572 61.600 62.100 0.121 0.000 1.008 56 T CB 1.330 70.286 68.868 0.146 0.000 1.289 56 T HN 0.150 nan 8.240 nan 0.000 0.514 57 Y N 0.718 121.017 120.300 -0.003 0.000 2.433 57 Y HA 0.619 5.169 4.550 -0.000 0.000 0.337 57 Y C -1.524 174.317 175.900 -0.098 0.000 1.026 57 Y CA -0.901 57.178 58.100 -0.035 0.000 1.037 57 Y CB 1.281 39.719 38.460 -0.037 0.000 1.245 57 Y HN 0.365 nan 8.280 nan 0.000 0.443 58 V N 5.924 125.430 119.914 -0.679 0.000 2.350 58 V HA 0.709 4.829 4.120 -0.000 0.000 0.276 58 V C 0.025 175.521 176.094 -0.998 0.000 1.028 58 V CA -0.452 61.381 62.300 -0.777 0.000 0.860 58 V CB 0.790 32.048 31.823 -0.942 0.000 0.990 58 V HN 0.912 nan 8.190 nan 0.000 0.453 59 A N 5.520 127.967 122.820 -0.622 0.000 2.276 59 A HA 0.721 5.041 4.320 -0.000 0.000 0.300 59 A C -0.393 177.041 177.584 -0.251 0.000 1.235 59 A CA -0.384 51.434 52.037 -0.365 0.000 0.867 59 A CB 0.729 19.684 19.000 -0.074 0.000 1.137 59 A HN 0.665 nan 8.150 nan 0.000 0.527 60 V N 3.826 123.624 119.914 -0.193 0.000 2.370 60 V HA 0.329 4.449 4.120 -0.000 0.000 0.283 60 V C -0.074 175.969 176.094 -0.085 0.000 1.023 60 V CA -0.309 61.908 62.300 -0.138 0.000 0.857 60 V CB 1.042 32.787 31.823 -0.129 0.000 0.985 60 V HN 0.931 nan 8.190 nan 0.000 0.443 61 Q N 3.116 122.868 119.800 -0.081 0.000 2.363 61 Q HA 0.457 4.797 4.340 -0.000 0.000 0.265 61 Q C 0.335 176.293 176.000 -0.070 0.000 1.032 61 Q CA -0.410 55.357 55.803 -0.060 0.000 0.746 61 Q CB 2.119 30.825 28.738 -0.053 0.000 1.237 61 Q HN 0.939 nan 8.270 nan 0.000 0.475 62 G N 1.374 110.135 108.800 -0.064 0.000 2.530 62 G HA2 0.348 4.308 3.960 -0.000 0.000 0.313 62 G HA3 0.348 4.308 3.960 -0.000 0.000 0.313 62 G C 0.588 175.451 174.900 -0.063 0.000 0.971 62 G CA -0.326 44.731 45.100 -0.073 0.000 1.237 62 G HN 0.512 nan 8.290 nan 0.000 0.446 63 V N 0.223 120.094 119.914 -0.071 0.000 3.252 63 V HA 0.707 4.827 4.120 -0.000 0.000 0.320 63 V C 0.787 176.835 176.094 -0.077 0.000 1.459 63 V CA -0.046 62.215 62.300 -0.064 0.000 1.095 63 V CB -0.518 31.273 31.823 -0.053 0.000 0.997 63 V HN 1.638 nan 8.190 nan 0.000 0.469 64 G N 0.446 109.189 108.800 -0.095 0.000 2.692 64 G HA2 -0.108 3.852 3.960 -0.000 0.000 0.686 64 G HA3 -0.108 3.852 3.960 -0.000 0.000 0.686 64 G C 0.211 175.041 174.900 -0.116 0.000 1.243 64 G CA -0.084 44.948 45.100 -0.113 0.000 0.782 64 G HN 0.377 nan 8.290 nan 0.000 0.625 65 S N -0.002 115.621 115.700 -0.129 0.000 2.370 65 S HA -0.134 4.336 4.470 -0.000 0.000 0.226 65 S C 2.658 177.204 174.600 -0.091 0.000 1.033 65 S CA 2.469 60.599 58.200 -0.116 0.000 1.011 65 S CB -0.317 62.818 63.200 -0.108 0.000 0.852 65 S HN 0.927 nan 8.310 nan 0.000 0.457 66 T N 2.050 116.550 114.554 -0.090 0.000 2.777 66 T HA 0.033 4.383 4.350 -0.000 0.000 0.266 66 T C 2.105 176.773 174.700 -0.053 0.000 1.040 66 T CA 1.151 63.212 62.100 -0.065 0.000 1.141 66 T CB -0.413 68.413 68.868 -0.069 0.000 0.868 66 T HN 0.445 nan 8.240 nan 0.000 0.444 67 A N 1.279 124.062 122.820 -0.060 0.000 1.969 67 A HA 0.192 4.511 4.320 -0.000 0.000 0.218 67 A C 2.565 180.122 177.584 -0.045 0.000 1.169 67 A CA 1.654 53.663 52.037 -0.047 0.000 0.635 67 A CB -1.231 17.741 19.000 -0.048 0.000 0.810 67 A HN 0.499 nan 8.150 nan 0.000 0.445 68 G N 0.349 109.113 108.800 -0.060 0.000 2.421 68 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.216 68 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.216 68 G C 1.517 176.388 174.900 -0.048 0.000 1.171 68 G CA 1.183 46.246 45.100 -0.062 0.000 0.775 68 G HN 0.477 nan 8.290 nan 0.000 0.543 69 I N 0.646 121.187 120.570 -0.047 0.000 2.179 69 I HA -0.186 3.984 4.170 -0.000 0.000 0.242 69 I C 3.018 179.131 176.117 -0.006 0.000 1.088 69 I CA 1.331 62.612 61.300 -0.033 0.000 1.357 69 I CB -0.317 37.667 38.000 -0.027 0.000 1.051 69 I HN 0.264 nan 8.210 nan 0.000 0.409 70 S N 1.023 116.719 115.700 -0.007 0.000 2.370 70 S HA -0.172 4.298 4.470 -0.000 0.000 0.226 70 S C 2.063 176.672 174.600 0.014 0.000 1.033 70 S CA 1.490 59.694 58.200 0.006 0.000 1.011 70 S CB -0.333 62.864 63.200 -0.004 0.000 0.852 70 S HN 0.323 nan 8.310 nan 0.000 0.457 71 L N 0.668 121.893 121.223 0.003 0.000 2.093 71 L HA -0.045 4.295 4.340 -0.000 0.000 0.208 71 L C 2.470 179.359 176.870 0.031 0.000 1.085 71 L CA 0.964 55.809 54.840 0.009 0.000 0.755 71 L CB -0.491 41.564 42.059 -0.007 0.000 0.904 71 L HN 0.375 nan 8.230 nan 0.000 0.435 72 L N -0.169 121.075 121.223 0.035 0.000 2.056 72 L HA -0.172 4.168 4.340 -0.000 0.000 0.207 72 L C 2.433 179.415 176.870 0.187 0.000 1.078 72 L CA 1.772 56.662 54.840 0.082 0.000 0.749 72 L CB -0.429 41.635 42.059 0.009 0.000 0.901 72 L HN 0.049 nan 8.230 nan 0.000 0.433 73 K N -0.285 120.203 120.400 0.148 0.000 2.148 73 K HA -0.128 4.192 4.320 -0.000 0.000 0.204 73 K C 1.833 178.491 176.600 0.098 0.000 1.050 73 K CA 1.312 57.705 56.287 0.178 0.000 0.942 73 K CB -0.070 32.500 32.500 0.116 0.000 0.724 73 K HN 0.334 nan 8.250 nan 0.000 0.446 74 K N -0.270 120.169 120.400 0.065 0.000 2.525 74 K HA 0.001 4.321 4.320 -0.000 0.000 0.192 74 K C 0.860 177.478 176.600 0.030 0.000 1.029 74 K CA 0.501 56.809 56.287 0.034 0.000 1.029 74 K CB 0.330 32.843 32.500 0.022 0.000 0.814 74 K HN 0.346 nan 8.250 nan 0.000 0.503 75 G N 0.618 109.450 108.800 0.053 0.000 2.168 75 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.263 75 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.263 75 G C 0.811 175.733 174.900 0.037 0.000 0.977 75 G CA 0.494 45.621 45.100 0.044 0.000 0.659 75 G HN 0.187 nan 8.290 nan 0.000 0.533 76 V N -0.019 119.915 119.914 0.033 0.000 2.535 76 V HA 0.462 4.582 4.120 -0.000 0.000 0.246 76 V C 1.885 177.991 176.094 0.019 0.000 1.045 76 V CA 1.957 64.269 62.300 0.020 0.000 1.058 76 V CB -0.150 31.680 31.823 0.012 0.000 0.689 76 V HN 1.131 nan 8.190 nan 0.000 0.461 77 A N -0.159 122.676 122.820 0.026 0.000 2.312 77 A HA 0.397 4.717 4.320 -0.000 0.000 0.328 77 A C 0.645 178.255 177.584 0.042 0.000 1.158 77 A CA -0.404 51.642 52.037 0.015 0.000 0.821 77 A CB 0.581 19.579 19.000 -0.003 0.000 1.170 77 A HN 0.299 nan 8.150 nan 0.000 0.490 78 D N 0.408 120.827 120.400 0.031 0.000 2.213 78 D HA 0.103 4.743 4.640 -0.000 0.000 0.205 78 D C 0.114 176.458 176.300 0.073 0.000 0.961 78 D CA 1.550 55.588 54.000 0.063 0.000 0.853 78 D CB 0.245 41.071 40.800 0.043 0.000 0.967 78 D HN 0.516 nan 8.370 nan 0.000 0.496 79 I N 0.039 120.625 120.570 0.026 0.000 2.656 79 I HA 0.417 4.587 4.170 -0.000 0.000 0.292 79 I C -0.629 175.464 176.117 -0.040 0.000 1.144 79 I CA -0.868 60.437 61.300 0.008 0.000 1.038 79 I CB 2.433 40.444 38.000 0.020 0.000 1.244 79 I HN -0.210 nan 8.210 nan 0.000 0.420 83 S N 0.001 115.605 115.700 -0.160 0.000 2.601 83 S HA 0.502 4.972 4.470 -0.000 0.000 0.244 83 S C 0.341 174.923 174.600 -0.031 0.000 1.001 83 S CA -0.663 57.502 58.200 -0.058 0.000 0.984 83 S CB -0.551 62.626 63.200 -0.038 0.000 0.842 83 S HN 1.104 nan 8.310 nan 0.000 0.474 84 R N -1.333 119.101 120.500 -0.110 0.000 2.716 84 R HA 0.547 4.887 4.340 -0.000 0.000 0.271 84 R C -1.728 174.464 176.300 -0.180 0.000 1.028 84 R CA -0.978 55.047 56.100 -0.125 0.000 0.883 84 R CB 0.259 30.568 30.300 0.016 0.000 1.250 84 R HN 0.071 nan 8.270 nan 0.000 0.465 85 Y N 0.613 120.928 120.300 0.025 0.000 2.330 85 Y HA 0.269 4.819 4.550 -0.000 0.000 0.341 85 Y C 0.525 176.428 175.900 0.005 0.000 1.278 85 Y CA -0.354 57.752 58.100 0.009 0.000 1.453 85 Y CB 0.457 38.924 38.460 0.011 0.000 1.342 85 Y HN 0.315 nan 8.280 nan 0.000 0.590 86 L N 1.152 122.486 121.223 0.185 0.000 2.375 86 L HA 0.276 4.616 4.340 -0.000 0.000 0.271 86 L C 0.657 177.578 176.870 0.085 0.000 1.107 86 L CA -0.415 54.481 54.840 0.094 0.000 0.806 86 L CB 0.798 42.895 42.059 0.064 0.000 1.146 86 L HN 0.820 nan 8.230 nan 0.000 0.447 87 T N -1.333 113.257 114.554 0.059 0.000 2.788 87 T HA 0.137 4.487 4.350 -0.000 0.000 0.287 87 T C 1.029 175.748 174.700 0.032 0.000 1.007 87 T CA -0.311 61.815 62.100 0.043 0.000 1.005 87 T CB 0.664 69.554 68.868 0.037 0.000 1.012 87 T HN 0.609 nan 8.240 nan 0.000 0.530 88 E N 0.682 120.895 120.200 0.022 0.000 2.085 88 E HA -0.175 4.175 4.350 -0.000 0.000 0.194 88 E C 2.324 178.937 176.600 0.021 0.000 0.994 88 E CA 1.930 58.341 56.400 0.017 0.000 0.801 88 E CB -0.639 29.067 29.700 0.011 0.000 0.743 88 E HN 0.783 nan 8.360 nan 0.000 0.453 89 S N -0.319 115.394 115.700 0.021 0.000 2.419 89 S HA -0.191 4.279 4.470 -0.000 0.000 0.233 89 S C 1.734 176.349 174.600 0.025 0.000 1.016 89 S CA 1.444 59.656 58.200 0.021 0.000 0.974 89 S CB -0.313 62.898 63.200 0.019 0.000 0.786 89 S HN 0.381 nan 8.310 nan 0.000 0.492 90 E N 1.084 121.300 120.200 0.027 0.000 2.299 90 E HA 0.293 4.643 4.350 -0.000 0.000 0.193 90 E C 0.952 177.572 176.600 0.034 0.000 0.998 90 E CA 0.343 56.760 56.400 0.028 0.000 0.851 90 E CB -0.067 29.648 29.700 0.025 0.000 0.795 90 E HN 0.700 nan 8.360 nan 0.000 0.492 91 A N 1.411 124.252 122.820 0.035 0.000 2.445 91 A HA 0.110 4.430 4.320 -0.000 0.000 0.242 91 A C -0.060 177.554 177.584 0.050 0.000 1.075 91 A CA 0.346 52.407 52.037 0.040 0.000 0.777 91 A CB 0.434 19.454 19.000 0.034 0.000 1.013 91 A HN 0.076 nan 8.150 nan 0.000 0.493 92 Q N 0.420 120.261 119.800 0.068 0.000 2.359 92 Q HA 0.213 4.553 4.340 -0.000 0.000 0.274 92 Q C -0.124 175.938 176.000 0.105 0.000 1.074 92 Q CA -1.002 54.855 55.803 0.090 0.000 0.810 92 Q CB 1.794 30.614 28.738 0.136 0.000 1.342 92 Q HN 0.825 nan 8.270 nan 0.000 0.427 93 N N 0.024 118.781 118.700 0.094 0.000 2.223 93 N HA -0.118 4.622 4.740 -0.000 0.000 0.185 93 N C 1.427 177.037 175.510 0.167 0.000 1.016 93 N CA 1.793 54.906 53.050 0.104 0.000 0.863 93 N CB 0.020 38.551 38.487 0.074 0.000 0.983 93 N HN 0.669 nan 8.380 nan 0.000 0.429 94 T N -2.087 112.566 114.554 0.165 0.000 3.107 94 T HA 0.183 4.533 4.350 -0.000 0.000 0.249 94 T C 0.578 175.386 174.700 0.180 0.000 1.096 94 T CA -0.375 61.819 62.100 0.158 0.000 1.012 94 T CB -0.213 68.711 68.868 0.093 0.000 0.977 94 T HN -0.029 nan 8.240 nan 0.000 0.527 95 L N 2.822 124.176 121.223 0.217 0.000 2.305 95 L HA 0.519 4.859 4.340 -0.000 0.000 0.281 95 L C -1.002 176.017 176.870 0.248 0.000 1.085 95 L CA -0.446 54.400 54.840 0.010 0.000 0.813 95 L CB 0.431 42.465 42.059 -0.041 0.000 1.157 95 L HN 0.179 nan 8.230 nan 0.000 0.436 96 H N 2.328 121.317 119.070 -0.134 0.000 2.524 96 H HA 0.671 5.227 4.556 -0.000 0.000 0.353 96 H C -0.716 174.653 175.328 0.068 0.000 1.136 96 H CA -0.838 55.187 56.048 -0.039 0.000 1.193 96 H CB 1.908 31.608 29.762 -0.103 0.000 1.558 96 H HN 0.603 nan 8.280 nan 0.000 0.515 97 T N 3.861 118.535 114.554 0.201 0.000 2.881 97 T HA 0.498 4.848 4.350 -0.000 0.000 0.290 97 T C -0.987 173.854 174.700 0.235 0.000 1.000 97 T CA -0.723 61.464 62.100 0.146 0.000 0.978 97 T CB 0.446 69.361 68.868 0.077 0.000 0.997 97 T HN 0.444 nan 8.240 nan 0.000 0.443 98 F N -0.206 119.767 119.950 0.038 0.000 2.588 98 F HA 0.761 5.288 4.527 -0.000 0.000 0.314 98 F C -0.251 175.525 175.800 -0.040 0.000 1.069 98 F CA -1.060 56.942 58.000 0.003 0.000 0.931 98 F CB 0.857 39.853 39.000 -0.006 0.000 1.260 98 F HN 0.296 nan 8.300 nan 0.000 0.465 99 T N 4.221 118.830 114.554 0.091 0.000 2.723 99 T HA 0.194 4.544 4.350 -0.000 0.000 0.297 99 T C 0.846 175.525 174.700 -0.035 0.000 0.925 99 T CA -0.243 61.794 62.100 -0.106 0.000 1.030 99 T CB 1.096 69.864 68.868 -0.168 0.000 0.905 99 T HN 0.741 nan 8.240 nan 0.000 0.502 100 L N 3.429 124.544 121.223 -0.180 0.000 2.131 100 L HA 0.426 4.766 4.340 -0.000 0.000 0.206 100 L C 0.817 177.641 176.870 -0.078 0.000 1.087 100 L CA 1.248 56.041 54.840 -0.078 0.000 0.767 100 L CB -0.276 41.682 42.059 -0.169 0.000 0.917 100 L HN 0.817 nan 8.230 nan 0.000 0.441 101 A N -2.934 119.774 122.820 -0.186 0.000 2.544 101 A HA 0.517 4.837 4.320 -0.000 0.000 0.291 101 A C -1.652 175.659 177.584 -0.455 0.000 1.055 101 A CA -0.628 51.284 52.037 -0.208 0.000 0.651 101 A CB 0.115 19.037 19.000 -0.131 0.000 1.296 101 A HN -0.053 nan 8.150 nan 0.000 0.431 102 F N 0.436 120.328 119.950 -0.097 0.000 2.492 102 F HA 0.623 5.150 4.527 -0.000 0.000 0.327 102 F C 0.121 175.791 175.800 -0.217 0.000 1.079 102 F CA -0.060 57.854 58.000 -0.142 0.000 0.967 102 F CB 2.179 41.192 39.000 0.021 0.000 1.169 102 F HN 0.651 nan 8.300 nan 0.000 0.472 103 D N 0.548 120.893 120.400 -0.091 0.000 2.498 103 D HA 0.586 5.226 4.640 -0.000 0.000 0.247 103 D C -0.435 175.914 176.300 0.082 0.000 1.070 103 D CA -0.279 53.684 54.000 -0.061 0.000 0.842 103 D CB 1.678 42.313 40.800 -0.276 0.000 1.361 103 D HN 0.708 nan 8.370 nan 0.000 0.484 104 G N 1.717 110.572 108.800 0.092 0.000 2.454 104 G HA2 0.606 4.566 3.960 -0.000 0.000 0.329 104 G HA3 0.606 4.566 3.960 -0.000 0.000 0.329 104 G C -1.361 173.630 174.900 0.151 0.000 1.177 104 G CA -0.575 44.614 45.100 0.148 0.000 0.951 104 G HN 0.419 nan 8.290 nan 0.000 0.485 105 L N 0.874 122.222 121.223 0.209 0.000 2.322 105 L HA 0.715 5.055 4.340 -0.000 0.000 0.281 105 L C 0.559 177.584 176.870 0.259 0.000 1.014 105 L CA -0.562 54.400 54.840 0.202 0.000 0.815 105 L CB 1.842 44.006 42.059 0.175 0.000 1.247 105 L HN 0.685 nan 8.230 nan 0.000 0.421 106 A N 3.815 126.751 122.820 0.193 0.000 2.324 106 A HA 0.819 5.139 4.320 -0.000 0.000 0.330 106 A C -0.623 177.081 177.584 0.199 0.000 1.165 106 A CA -0.515 51.635 52.037 0.188 0.000 0.813 106 A CB 0.646 19.701 19.000 0.092 0.000 1.197 106 A HN 0.484 nan 8.150 nan 0.000 0.484 107 I N 2.762 123.470 120.570 0.229 0.000 2.353 107 I HA 0.408 4.578 4.170 -0.000 0.000 0.293 107 I C 0.137 176.366 176.117 0.188 0.000 0.992 107 I CA -0.401 61.039 61.300 0.233 0.000 1.268 107 I CB 0.828 39.002 38.000 0.290 0.000 1.387 107 I HN 0.467 nan 8.210 nan 0.000 0.478 108 V N 5.844 125.854 119.914 0.161 0.000 2.680 108 V HA 0.907 5.027 4.120 -0.000 0.000 0.309 108 V C -0.237 175.930 176.094 0.121 0.000 1.052 108 V CA -0.735 61.630 62.300 0.109 0.000 0.908 108 V CB 1.599 33.457 31.823 0.059 0.000 1.001 108 V HN 0.559 nan 8.190 nan 0.000 0.431 109 V N 0.463 120.417 119.914 0.067 0.000 3.155 109 V HA 0.646 4.766 4.120 -0.000 0.000 0.313 109 V C 0.069 176.144 176.094 -0.032 0.000 1.162 109 V CA -0.938 61.370 62.300 0.014 0.000 1.048 109 V CB 1.889 33.657 31.823 -0.092 0.000 1.092 109 V HN 1.076 nan 8.190 nan 0.000 0.447 110 N N 0.529 119.183 118.700 -0.076 0.000 2.479 110 N HA 0.005 4.745 4.740 -0.000 0.000 0.257 110 N C 0.820 176.275 175.510 -0.093 0.000 1.232 110 N CA 0.347 53.352 53.050 -0.074 0.000 0.920 110 N CB 1.621 40.053 38.487 -0.092 0.000 1.105 110 N HN 0.935 nan 8.380 nan 0.000 0.444 111 Q N 3.342 123.101 119.800 -0.068 0.000 2.197 111 Q HA -0.123 4.217 4.340 -0.000 0.000 0.207 111 Q C 1.420 177.372 176.000 -0.080 0.000 0.984 111 Q CA 2.290 58.054 55.803 -0.064 0.000 0.869 111 Q CB -0.275 28.433 28.738 -0.049 0.000 0.906 111 Q HN 0.713 nan 8.270 nan 0.000 0.426 112 A N -0.128 122.635 122.820 -0.096 0.000 2.169 112 A HA 0.021 4.341 4.320 -0.000 0.000 0.212 112 A C 0.824 178.325 177.584 -0.139 0.000 1.153 112 A CA 0.063 52.039 52.037 -0.100 0.000 0.756 112 A CB -0.332 18.613 19.000 -0.091 0.000 0.813 112 A HN 0.317 nan 8.150 nan 0.000 0.471 113 N N 1.315 119.897 118.700 -0.197 0.000 2.438 113 N HA 0.077 4.817 4.740 -0.000 0.000 0.267 113 N C -1.747 173.637 175.510 -0.210 0.000 1.222 113 N CA -1.497 51.373 53.050 -0.300 0.000 0.930 113 N CB 1.201 39.403 38.487 -0.475 0.000 1.083 113 N HN 0.142 nan 8.380 nan 0.000 0.476 114 P HA -0.042 nan 4.420 nan 0.000 0.237 114 P C 0.219 177.477 177.300 -0.070 0.000 1.178 114 P CA 0.163 63.207 63.100 -0.094 0.000 0.766 114 P CB 0.365 32.027 31.700 -0.063 0.000 0.876 115 V N 1.924 121.778 119.914 -0.100 0.000 2.694 115 V HA -0.012 4.108 4.120 -0.000 0.000 0.306 115 V C 1.837 177.933 176.094 0.004 0.000 1.054 115 V CA 1.588 63.878 62.300 -0.016 0.000 1.161 115 V CB 0.389 32.225 31.823 0.022 0.000 0.916 115 V HN 0.263 nan 8.190 nan 0.000 0.490 116 T N 0.237 114.817 114.554 0.044 0.000 3.040 116 T HA 0.268 4.618 4.350 -0.000 0.000 0.266 116 T C 0.250 175.003 174.700 0.089 0.000 1.005 116 T CA -0.111 62.019 62.100 0.050 0.000 0.906 116 T CB -0.104 68.785 68.868 0.035 0.000 1.082 116 T HN 0.588 nan 8.240 nan 0.000 0.531 117 N N -0.079 118.691 118.700 0.117 0.000 2.636 117 N HA 0.549 5.289 4.740 -0.000 0.000 0.261 117 N C -2.210 173.402 175.510 0.169 0.000 1.195 117 N CA -0.703 52.431 53.050 0.139 0.000 0.902 117 N CB 1.501 40.040 38.487 0.087 0.000 1.627 117 N HN 0.169 nan 8.380 nan 0.000 0.491 118 L N 1.579 122.924 121.223 0.203 0.000 2.408 118 L HA 0.588 4.928 4.340 -0.000 0.000 0.268 118 L C 0.393 177.310 176.870 0.078 0.000 0.986 118 L CA -0.895 54.069 54.840 0.206 0.000 0.820 118 L CB 2.162 44.419 42.059 0.329 0.000 1.303 118 L HN 0.782 nan 8.230 nan 0.000 0.411 119 T N -1.805 112.748 114.554 -0.000 0.000 2.788 119 T HA 0.213 4.563 4.350 -0.000 0.000 0.280 119 T C 1.057 175.696 174.700 -0.102 0.000 0.984 119 T CA -0.386 61.603 62.100 -0.184 0.000 0.972 119 T CB 1.298 70.105 68.868 -0.101 0.000 1.039 119 T HN 0.703 nan 8.240 nan 0.000 0.530 120 R N 0.165 120.527 120.500 -0.230 0.000 2.081 120 R HA -0.144 4.196 4.340 -0.000 0.000 0.235 120 R C 2.376 178.763 176.300 0.145 0.000 1.131 120 R CA 1.994 58.146 56.100 0.088 0.000 0.960 120 R CB -0.381 29.926 30.300 0.013 0.000 0.856 120 R HN 0.933 nan 8.270 nan 0.000 0.436 121 E N -0.063 120.173 120.200 0.061 0.000 2.106 121 E HA -0.223 4.127 4.350 -0.000 0.000 0.192 121 E C 1.909 178.608 176.600 0.166 0.000 0.984 121 E CA 1.179 57.636 56.400 0.094 0.000 0.806 121 E CB 0.114 29.837 29.700 0.037 0.000 0.750 121 E HN 0.500 nan 8.360 nan 0.000 0.458 122 Q N -0.022 119.861 119.800 0.137 0.000 2.049 122 Q HA -0.114 4.226 4.340 -0.000 0.000 0.198 122 Q C 2.307 178.420 176.000 0.188 0.000 0.971 122 Q CA 0.963 56.847 55.803 0.135 0.000 0.833 122 Q CB -0.061 28.749 28.738 0.121 0.000 0.896 122 Q HN 0.254 nan 8.270 nan 0.000 0.434 123 L N -0.022 121.368 121.223 0.278 0.000 2.046 123 L HA -0.210 4.130 4.340 -0.000 0.000 0.208 123 L C 2.152 179.227 176.870 0.342 0.000 1.077 123 L CA 1.777 56.834 54.840 0.362 0.000 0.747 123 L CB -0.761 41.572 42.059 0.457 0.000 0.896 123 L HN 0.218 nan 8.230 nan 0.000 0.432 124 Y N 0.135 120.529 120.300 0.157 0.000 2.081 124 Y HA -0.208 4.342 4.550 -0.000 0.000 0.280 124 Y C 2.307 178.269 175.900 0.103 0.000 1.163 124 Y CA 2.122 60.283 58.100 0.101 0.000 1.135 124 Y CB -0.868 37.616 38.460 0.039 0.000 0.970 124 Y HN 0.218 nan 8.280 nan 0.000 0.498 125 G N 0.026 108.901 108.800 0.125 0.000 2.422 125 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.218 125 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.218 125 G C 1.718 176.573 174.900 -0.074 0.000 1.146 125 G CA 1.252 46.351 45.100 -0.002 0.000 0.769 125 G HN 0.506 nan 8.290 nan 0.000 0.547 126 I N -0.852 119.701 120.570 -0.029 0.000 2.142 126 I HA -0.167 4.003 4.170 -0.000 0.000 0.240 126 I C 2.394 178.404 176.117 -0.179 0.000 1.078 126 I CA 1.052 62.274 61.300 -0.131 0.000 1.343 126 I CB -0.269 37.647 38.000 -0.139 0.000 1.046 126 I HN 0.108 nan 8.210 nan 0.000 0.405 127 Y N 0.892 121.155 120.300 -0.061 0.000 2.352 127 Y HA -0.140 4.410 4.550 -0.000 0.000 0.292 127 Y C 2.386 178.203 175.900 -0.138 0.000 1.136 127 Y CA 1.216 59.291 58.100 -0.041 0.000 1.227 127 Y CB -0.156 38.355 38.460 0.086 0.000 0.991 127 Y HN 0.018 nan 8.280 nan 0.000 0.545 128 K N -0.823 119.465 120.400 -0.187 0.000 2.366 128 K HA 0.063 4.383 4.320 -0.000 0.000 0.198 128 K C 1.362 177.876 176.600 -0.143 0.000 1.044 128 K CA 0.885 57.036 56.287 -0.225 0.000 0.973 128 K CB -0.078 32.175 32.500 -0.411 0.000 0.767 128 K HN 0.436 nan 8.250 nan 0.000 0.475 129 G N 1.614 110.327 108.800 -0.145 0.000 2.141 129 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.242 129 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.242 129 G C 0.652 175.490 174.900 -0.103 0.000 0.982 129 G CA 0.498 45.522 45.100 -0.127 0.000 0.662 129 G HN 0.380 nan 8.290 nan 0.000 0.527 130 Q N -0.660 119.080 119.800 -0.100 0.000 2.096 130 Q HA 0.245 4.585 4.340 -0.000 0.000 0.197 130 Q C 1.254 177.215 176.000 -0.064 0.000 0.964 130 Q CA 0.866 56.631 55.803 -0.065 0.000 0.838 130 Q CB 0.360 29.074 28.738 -0.040 0.000 0.906 130 Q HN 0.681 nan 8.270 nan 0.000 0.444 131 I N 1.466 121.985 120.570 -0.086 0.000 2.312 131 I HA 0.059 4.229 4.170 -0.000 0.000 0.290 131 I C 0.700 176.717 176.117 -0.167 0.000 1.008 131 I CA -0.122 61.116 61.300 -0.103 0.000 1.226 131 I CB 1.538 39.482 38.000 -0.093 0.000 1.371 131 I HN 0.160 nan 8.210 nan 0.000 0.468 132 T N 0.836 115.300 114.554 -0.150 0.000 2.985 132 T HA 0.156 4.506 4.350 -0.000 0.000 0.254 132 T C 0.543 175.127 174.700 -0.194 0.000 1.021 132 T CA -0.170 61.830 62.100 -0.167 0.000 0.957 132 T CB 0.151 68.955 68.868 -0.106 0.000 1.047 132 T HN 0.451 nan 8.240 nan 0.000 0.511 133 N N -0.759 117.834 118.700 -0.180 0.000 2.260 133 N HA 0.220 4.960 4.740 -0.000 0.000 0.293 133 N C -0.581 174.863 175.510 -0.110 0.000 1.058 133 N CA -0.692 52.285 53.050 -0.121 0.000 0.824 133 N CB 1.581 40.054 38.487 -0.023 0.000 1.551 133 N HN 0.170 nan 8.380 nan 0.000 0.475 134 W N 2.709 124.015 121.300 0.010 0.000 2.387 134 W HA -0.103 4.557 4.660 -0.000 0.000 0.272 134 W C 2.173 178.703 176.519 0.019 0.000 1.224 134 W CA 0.882 58.238 57.345 0.017 0.000 1.210 134 W CB 0.271 29.741 29.460 0.017 0.000 1.125 134 W HN 0.621 nan 8.180 nan 0.000 0.572 135 K N 0.376 120.896 120.400 0.199 0.000 2.288 135 K HA -0.131 4.189 4.320 -0.000 0.000 0.201 135 K C 1.454 178.112 176.600 0.097 0.000 1.048 135 K CA 1.284 57.652 56.287 0.135 0.000 0.956 135 K CB -0.594 31.960 32.500 0.091 0.000 0.746 135 K HN 0.256 nan 8.250 nan 0.000 0.461 136 Q N 1.136 120.977 119.800 0.069 0.000 2.291 136 Q HA -0.055 4.285 4.340 -0.000 0.000 0.205 136 Q C 1.434 177.472 176.000 0.063 0.000 0.970 136 Q CA 1.414 57.242 55.803 0.042 0.000 0.876 136 Q CB 0.217 28.956 28.738 0.002 0.000 0.935 136 Q HN 0.416 nan 8.270 nan 0.000 0.455 137 V N -4.102 115.878 119.914 0.110 0.000 2.940 137 V HA 0.608 4.728 4.120 -0.000 0.000 0.366 137 V C 0.665 176.859 176.094 0.167 0.000 1.353 137 V CA 0.214 62.598 62.300 0.139 0.000 1.232 137 V CB 0.017 31.938 31.823 0.163 0.000 1.278 137 V HN 0.316 nan 8.190 nan 0.000 0.546 138 G N -0.835 108.044 108.800 0.132 0.000 2.176 138 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.253 138 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.253 138 G C 0.601 175.566 174.900 0.108 0.000 0.979 138 G CA 0.155 45.318 45.100 0.105 0.000 0.641 138 G HN 1.428 nan 8.290 nan 0.000 0.530 139 G N -0.526 108.373 108.800 0.164 0.000 2.736 139 G HA2 0.552 4.512 3.960 -0.000 0.000 0.229 139 G HA3 0.552 4.512 3.960 -0.000 0.000 0.229 139 G C -0.011 174.960 174.900 0.118 0.000 1.380 139 G CA -0.390 44.785 45.100 0.126 0.000 1.040 139 G HN 0.266 nan 8.290 nan 0.000 0.568 140 N N 0.817 119.572 118.700 0.093 0.000 2.503 140 N HA 0.125 4.865 4.740 -0.000 0.000 0.267 140 N C -0.663 174.930 175.510 0.138 0.000 1.214 140 N CA -0.273 52.824 53.050 0.078 0.000 0.959 140 N CB 1.175 39.673 38.487 0.020 0.000 1.142 140 N HN 0.373 nan 8.380 nan 0.000 0.455 141 D N 1.303 121.760 120.400 0.095 0.000 2.367 141 D HA 0.024 4.664 4.640 -0.000 0.000 0.255 141 D C -0.572 175.790 176.300 0.104 0.000 1.300 141 D CA 0.615 54.671 54.000 0.093 0.000 0.959 141 D CB -0.210 40.624 40.800 0.057 0.000 1.064 141 D HN 0.353 nan 8.370 nan 0.000 0.509 142 Q N 2.780 122.672 119.800 0.153 0.000 2.443 142 Q HA 0.123 4.463 4.340 -0.000 0.000 0.258 142 Q C -1.255 174.858 176.000 0.189 0.000 0.967 142 Q CA -0.967 54.941 55.803 0.175 0.000 0.951 142 Q CB 0.907 29.778 28.738 0.221 0.000 1.459 142 Q HN -0.008 nan 8.270 nan 0.000 0.415 143 K N 2.888 123.347 120.400 0.099 0.000 2.326 143 K HA 0.363 4.683 4.320 -0.000 0.000 0.275 143 K C -0.157 176.458 176.600 0.025 0.000 1.018 143 K CA 0.037 56.336 56.287 0.021 0.000 0.962 143 K CB 0.255 32.758 32.500 0.005 0.000 0.953 143 K HN 0.543 nan 8.250 nan 0.000 0.475 144 I N 1.722 122.198 120.570 -0.157 0.000 2.474 144 I HA 0.150 4.320 4.170 -0.000 0.000 0.287 144 I C 0.299 176.360 176.117 -0.094 0.000 1.048 144 I CA -0.606 60.551 61.300 -0.238 0.000 1.383 144 I CB 1.278 38.883 38.000 -0.658 0.000 1.412 144 I HN 0.471 nan 8.210 nan 0.000 0.531 145 A N 6.867 129.697 122.820 0.017 0.000 2.253 145 A HA 0.540 4.860 4.320 -0.000 0.000 0.316 145 A C -0.420 177.132 177.584 -0.052 0.000 1.327 145 A CA -0.472 51.559 52.037 -0.009 0.000 0.917 145 A CB 0.439 19.463 19.000 0.040 0.000 1.162 145 A HN 0.467 nan 8.150 nan 0.000 0.535 146 V N 4.198 124.020 119.914 -0.152 0.000 2.427 146 V HA 0.253 4.373 4.120 -0.000 0.000 0.268 146 V C 0.102 176.114 176.094 -0.138 0.000 1.046 146 V CA -0.092 62.042 62.300 -0.277 0.000 0.970 146 V CB 0.866 32.432 31.823 -0.427 0.000 1.001 146 V HN 0.586 nan 8.190 nan 0.000 0.476 147 V N 4.350 124.228 119.914 -0.061 0.000 2.513 147 V HA 0.696 4.816 4.120 -0.000 0.000 0.299 147 V C 0.156 176.294 176.094 0.073 0.000 1.035 147 V CA -0.243 62.053 62.300 -0.006 0.000 0.889 147 V CB 1.797 33.598 31.823 -0.036 0.000 0.988 147 V HN 0.909 nan 8.190 nan 0.000 0.440 148 T N 3.263 117.844 114.554 0.044 0.000 0.000 148 T HA 0.577 4.927 4.350 -0.000 0.000 0.000 148 T C -0.609 174.056 174.700 -0.058 0.000 0.000 148 T CA -0.706 61.443 62.100 0.081 0.000 0.000 148 T CB 1.835 70.916 68.868 0.355 0.000 0.000 148 T HN 0.576 nan 8.240 nan 0.000 0.000 149 R N 1.491 122.009 120.500 0.030 0.000 2.700 149 R HA 0.387 4.727 4.340 -0.000 0.000 0.253 149 R C 0.144 176.495 176.300 0.084 0.000 1.091 149 R CA -0.740 55.372 56.100 0.019 0.000 1.104 149 R CB 0.505 30.831 30.300 0.044 0.000 1.202 149 R HN 0.837 nan 8.270 nan 0.000 0.532 150 E N 0.400 120.637 120.200 0.061 0.000 2.436 150 E HA -0.015 4.335 4.350 -0.000 0.000 0.262 150 E C 0.440 177.095 176.600 0.091 0.000 1.063 150 E CA 0.367 56.805 56.400 0.063 0.000 0.944 150 E CB 0.428 30.153 29.700 0.042 0.000 0.950 150 E HN 0.560 nan 8.360 nan 0.000 0.444 151 A N 2.974 125.843 122.820 0.082 0.000 1.986 151 A HA -0.227 4.093 4.320 -0.000 0.000 0.220 151 A C 2.060 179.704 177.584 0.100 0.000 1.171 151 A CA 2.260 54.354 52.037 0.095 0.000 0.640 151 A CB -0.690 18.354 19.000 0.074 0.000 0.811 151 A HN 0.738 nan 8.150 nan 0.000 0.451 152 S N -1.035 114.710 115.700 0.075 0.000 2.605 152 S HA 0.219 4.689 4.470 -0.000 0.000 0.217 152 S C 0.733 175.376 174.600 0.071 0.000 0.958 152 S CA 0.427 58.661 58.200 0.058 0.000 0.919 152 S CB -0.480 62.739 63.200 0.031 0.000 0.780 152 S HN 0.464 nan 8.310 nan 0.000 0.507 153 S N 0.880 116.644 115.700 0.107 0.000 2.505 153 S HA 0.485 4.955 4.470 -0.000 0.000 0.276 153 S C 1.423 176.121 174.600 0.162 0.000 1.274 153 S CA -0.114 58.160 58.200 0.123 0.000 1.053 153 S CB 0.671 63.960 63.200 0.148 0.000 0.919 153 S HN 0.463 nan 8.310 nan 0.000 0.490 154 G N 3.670 112.550 108.800 0.134 0.000 2.422 154 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.218 154 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.218 154 G C 1.271 176.296 174.900 0.210 0.000 1.140 154 G CA 1.097 46.289 45.100 0.153 0.000 0.775 154 G HN 0.729 nan 8.290 nan 0.000 0.545 155 T N 0.218 114.899 114.554 0.212 0.000 2.708 155 T HA -0.103 4.247 4.350 -0.000 0.000 0.266 155 T C 2.321 177.177 174.700 0.260 0.000 1.037 155 T CA 1.274 63.525 62.100 0.251 0.000 1.146 155 T CB -0.114 68.921 68.868 0.280 0.000 0.865 155 T HN 0.321 nan 8.240 nan 0.000 0.435 156 R N -0.493 120.198 120.500 0.319 0.000 2.096 156 R HA -0.126 4.214 4.340 -0.000 0.000 0.235 156 R C 2.295 178.680 176.300 0.143 0.000 1.127 156 R CA 1.305 57.569 56.100 0.273 0.000 0.968 156 R CB -0.443 30.057 30.300 0.333 0.000 0.861 156 R HN 0.457 nan 8.270 nan 0.000 0.440 157 Y N 0.698 121.046 120.300 0.080 0.000 2.181 157 Y HA -0.174 4.376 4.550 -0.000 0.000 0.288 157 Y C 2.408 178.311 175.900 0.005 0.000 1.146 157 Y CA 2.125 60.249 58.100 0.039 0.000 1.164 157 Y CB -0.146 38.334 38.460 0.035 0.000 0.982 157 Y HN 0.062 nan 8.280 nan 0.000 0.515 158 S N -0.067 115.702 115.700 0.115 0.000 2.368 158 S HA -0.175 4.295 4.470 -0.000 0.000 0.224 158 S C 1.750 176.285 174.600 -0.110 0.000 1.029 158 S CA 1.186 59.400 58.200 0.023 0.000 0.988 158 S CB -0.750 62.511 63.200 0.101 0.000 0.838 158 S HN 0.566 nan 8.310 nan 0.000 0.462 159 F N 2.531 122.294 119.950 -0.311 0.000 2.069 159 F HA -0.144 4.383 4.527 -0.000 0.000 0.298 159 F C 2.198 177.723 175.800 -0.458 0.000 1.113 159 F CA 1.696 59.375 58.000 -0.536 0.000 1.214 159 F CB -0.391 37.946 39.000 -1.106 0.000 0.978 159 F HN 0.203 nan 8.300 nan 0.000 0.474 160 E N -0.890 119.090 120.200 -0.368 0.000 2.150 160 E HA -0.196 4.154 4.350 -0.000 0.000 0.193 160 E C 2.369 178.735 176.600 -0.391 0.000 0.985 160 E CA 1.151 57.316 56.400 -0.392 0.000 0.814 160 E CB -0.321 29.242 29.700 -0.229 0.000 0.752 160 E HN 0.374 nan 8.360 nan 0.000 0.466 161 S N 0.348 115.806 115.700 -0.404 0.000 2.355 161 S HA -0.059 4.411 4.470 -0.000 0.000 0.222 161 S C 1.183 175.630 174.600 -0.256 0.000 1.031 161 S CA 0.309 58.316 58.200 -0.321 0.000 0.993 161 S CB -0.179 62.851 63.200 -0.284 0.000 0.859 161 S HN 0.037 nan 8.310 nan 0.000 0.453 165 L N 2.847 124.064 121.223 -0.009 0.000 2.968 165 L HA 0.318 4.658 4.340 -0.000 0.000 0.235 165 L C 0.989 177.846 176.870 -0.022 0.000 1.323 165 L CA 0.378 55.225 54.840 0.012 0.000 1.159 165 L CB -0.182 41.831 42.059 -0.077 0.000 1.523 165 L HN 0.383 nan 8.230 nan 0.000 0.468 166 T N -2.867 111.677 114.554 -0.017 0.000 2.901 166 T HA 0.625 4.975 4.350 -0.000 0.000 0.293 166 T C -0.632 174.074 174.700 0.009 0.000 1.084 166 T CA -0.999 61.089 62.100 -0.022 0.000 1.008 166 T CB 2.365 71.192 68.868 -0.069 0.000 1.170 166 T HN 0.172 nan 8.240 nan 0.000 0.509 167 K N 0.695 121.104 120.400 0.015 0.000 2.378 167 K HA 0.600 4.920 4.320 -0.000 0.000 0.252 167 K C -0.977 175.635 176.600 0.020 0.000 0.931 167 K CA -0.864 55.435 56.287 0.021 0.000 0.794 167 K CB 1.731 34.246 32.500 0.025 0.000 1.181 167 K HN 0.497 nan 8.250 nan 0.000 0.425 168 T N 2.031 116.596 114.554 0.018 0.000 2.737 168 T HA 0.230 4.580 4.350 -0.000 0.000 0.296 168 T C -0.451 174.262 174.700 0.022 0.000 0.922 168 T CA -0.430 61.683 62.100 0.021 0.000 1.079 168 T CB 0.408 69.285 68.868 0.016 0.000 0.892 168 T HN 0.338 nan 8.240 nan 0.000 0.514 169 V N 5.458 125.388 119.914 0.026 0.000 2.482 169 V HA 0.372 4.492 4.120 -0.000 0.000 0.295 169 V C 0.086 176.195 176.094 0.024 0.000 1.026 169 V CA -1.269 61.045 62.300 0.023 0.000 0.856 169 V CB 1.433 33.270 31.823 0.024 0.000 1.001 169 V HN 0.913 nan 8.190 nan 0.000 0.424 170 K N 3.836 124.248 120.400 0.019 0.000 3.730 170 K HA -0.239 4.081 4.320 -0.000 0.000 0.276 170 K C 0.386 176.999 176.600 0.021 0.000 0.904 170 K CA 0.917 57.215 56.287 0.018 0.000 0.741 170 K CB -0.784 31.726 32.500 0.017 0.000 1.542 170 K HN 0.937 nan 8.250 nan 0.000 0.446 171 D N -0.533 119.880 120.400 0.022 0.000 3.059 171 D HA -0.192 4.448 4.640 -0.000 0.000 0.220 171 D C -0.301 176.020 176.300 0.034 0.000 1.169 171 D CA 1.826 55.841 54.000 0.025 0.000 0.902 171 D CB -0.236 40.576 40.800 0.020 0.000 1.116 171 D HN 0.664 nan 8.370 nan 0.000 0.417 172 R N 0.324 120.848 120.500 0.040 0.000 2.628 172 R HA 0.328 4.668 4.340 -0.000 0.000 0.288 172 R C -0.892 175.447 176.300 0.065 0.000 0.980 172 R CA -0.638 55.496 56.100 0.057 0.000 0.891 172 R CB 1.110 31.440 30.300 0.050 0.000 1.188 172 R HN -0.220 nan 8.270 nan 0.000 0.450 173 E N 3.256 123.511 120.200 0.093 0.000 2.152 173 E HA 0.166 4.516 4.350 -0.000 0.000 0.285 173 E C -0.539 176.112 176.600 0.086 0.000 1.043 173 E CA -0.331 56.111 56.400 0.070 0.000 0.839 173 E CB 1.639 31.369 29.700 0.049 0.000 1.069 173 E HN 0.301 nan 8.360 nan 0.000 0.399 174 V N 2.260 122.208 119.914 0.056 0.000 2.567 174 V HA 0.116 4.236 4.120 -0.000 0.000 0.289 174 V C 0.851 176.970 176.094 0.040 0.000 1.049 174 V CA -0.646 61.689 62.300 0.058 0.000 0.969 174 V CB 1.778 33.629 31.823 0.046 0.000 0.995 174 V HN 0.641 nan 8.190 nan 0.000 0.471 175 S N 1.849 117.580 115.700 0.052 0.000 2.546 175 S HA -0.021 4.449 4.470 -0.000 0.000 0.290 175 S C 0.440 175.061 174.600 0.036 0.000 1.290 175 S CA 0.022 58.248 58.200 0.043 0.000 1.069 175 S CB 0.048 63.292 63.200 0.074 0.000 0.846 175 S HN 0.884 nan 8.310 nan 0.000 0.495 176 D N 3.004 123.420 120.400 0.027 0.000 2.538 176 D HA 0.171 4.811 4.640 -0.000 0.000 0.231 176 D C 0.297 176.604 176.300 0.012 0.000 1.229 176 D CA -0.258 53.753 54.000 0.019 0.000 0.828 176 D CB 0.258 41.069 40.800 0.017 0.000 1.035 176 D HN 0.435 nan 8.370 nan 0.000 0.495 177 V N -1.434 118.510 119.914 0.049 0.000 3.003 177 V HA 0.690 4.810 4.120 -0.000 0.000 0.305 177 V C 0.848 176.961 176.094 0.031 0.000 1.078 177 V CA -1.104 61.240 62.300 0.074 0.000 1.083 177 V CB 0.691 32.627 31.823 0.189 0.000 1.039 177 V HN 0.184 nan 8.190 nan 0.000 0.481 178 A N 4.335 127.155 122.820 0.001 0.000 2.600 178 A HA 0.196 4.516 4.320 -0.000 0.000 0.244 178 A C -0.482 177.097 177.584 -0.008 0.000 1.016 178 A CA 0.222 52.241 52.037 -0.030 0.000 0.778 178 A CB -0.659 18.298 19.000 -0.072 0.000 0.920 178 A HN 0.947 nan 8.150 nan 0.000 0.513 179 P HA -0.104 nan 4.420 nan 0.000 0.226 179 P C 0.998 178.295 177.300 -0.005 0.000 1.153 179 P CA 1.694 64.794 63.100 0.000 0.000 0.777 179 P CB -0.209 31.490 31.700 -0.002 0.000 0.794 180 T N -3.695 110.847 114.554 -0.020 0.000 3.144 180 T HA 0.461 4.811 4.350 -0.000 0.000 0.249 180 T C 0.937 175.619 174.700 -0.030 0.000 1.089 180 T CA -0.369 61.716 62.100 -0.025 0.000 0.989 180 T CB -0.408 68.438 68.868 -0.036 0.000 0.992 180 T HN 0.062 nan 8.240 nan 0.000 0.540 181 A N 1.492 124.298 122.820 -0.024 0.000 2.445 181 A HA 0.605 4.925 4.320 -0.000 0.000 0.242 181 A C 0.098 177.681 177.584 -0.001 0.000 1.075 181 A CA -0.476 51.547 52.037 -0.023 0.000 0.777 181 A CB 0.012 19.024 19.000 0.020 0.000 1.013 181 A HN 0.588 nan 8.150 nan 0.000 0.493 182 L N 2.235 123.454 121.223 -0.007 0.000 2.289 182 L HA 0.387 4.727 4.340 -0.000 0.000 0.285 182 L C -0.376 176.497 176.870 0.006 0.000 1.049 182 L CA -0.567 54.272 54.840 -0.002 0.000 0.804 182 L CB 1.506 43.559 42.059 -0.010 0.000 1.195 182 L HN 0.421 nan 8.230 nan 0.000 0.428 183 V N 4.276 124.195 119.914 0.008 0.000 2.439 183 V HA 0.416 4.536 4.120 -0.000 0.000 0.282 183 V C 0.126 176.212 176.094 -0.014 0.000 1.039 183 V CA -0.579 61.726 62.300 0.008 0.000 0.913 183 V CB 1.783 33.620 31.823 0.023 0.000 0.983 183 V HN 0.542 nan 8.190 nan 0.000 0.460 184 V N 2.466 122.359 119.914 -0.035 0.000 2.919 184 V HA 0.658 4.778 4.120 -0.000 0.000 0.316 184 V C 0.430 176.503 176.094 -0.035 0.000 1.077 184 V CA -0.661 61.614 62.300 -0.041 0.000 0.977 184 V CB 2.142 33.926 31.823 -0.065 0.000 1.039 184 V HN 0.820 nan 8.190 nan 0.000 0.441 185 N N 0.774 119.458 118.700 -0.026 0.000 2.214 185 N HA 0.207 4.947 4.740 -0.000 0.000 0.214 185 N C -0.050 175.455 175.510 -0.010 0.000 1.132 185 N CA 0.473 53.517 53.050 -0.010 0.000 0.856 185 N CB 0.323 38.808 38.487 -0.003 0.000 1.020 185 N HN 1.186 nan 8.380 nan 0.000 0.509 186 S N -1.597 114.088 115.700 -0.026 0.000 2.567 186 S HA 0.272 4.742 4.470 -0.000 0.000 0.270 186 S C 0.122 174.696 174.600 -0.043 0.000 1.152 186 S CA -0.762 57.426 58.200 -0.021 0.000 0.835 186 S CB 0.900 64.093 63.200 -0.011 0.000 1.115 186 S HN -0.048 nan 8.310 nan 0.000 0.459 187 N N 1.481 120.165 118.700 -0.026 0.000 2.166 187 N HA -0.051 4.689 4.740 -0.000 0.000 0.186 187 N C 0.991 176.477 175.510 -0.040 0.000 1.019 187 N CA 1.769 54.797 53.050 -0.038 0.000 0.856 187 N CB -0.100 38.386 38.487 -0.001 0.000 0.993 187 N HN 0.638 nan 8.380 nan 0.000 0.426 192 T N 2.664 117.209 114.554 -0.016 0.000 2.720 192 T HA -0.123 4.227 4.350 -0.000 0.000 0.268 192 T C 1.650 176.356 174.700 0.010 0.000 1.037 192 T CA 1.475 63.562 62.100 -0.021 0.000 1.144 192 T CB -0.141 68.667 68.868 -0.100 0.000 0.864 192 T HN 0.020 nan 8.240 nan 0.000 0.444 193 L N 1.170 122.386 121.223 -0.012 0.000 2.017 193 L HA -0.047 4.293 4.340 -0.000 0.000 0.208 193 L C 2.499 179.405 176.870 0.059 0.000 1.073 193 L CA 1.447 56.295 54.840 0.013 0.000 0.745 193 L CB -0.696 41.355 42.059 -0.014 0.000 0.894 193 L HN 0.078 nan 8.230 nan 0.000 0.432 194 V N 0.249 120.186 119.914 0.039 0.000 2.287 194 V HA -0.350 3.770 4.120 -0.000 0.000 0.248 194 V C 2.476 178.604 176.094 0.056 0.000 1.053 194 V CA 2.137 64.463 62.300 0.044 0.000 1.027 194 V CB -1.051 30.789 31.823 0.028 0.000 0.646 194 V HN 0.662 nan 8.190 nan 0.000 0.447 195 N N -0.199 118.554 118.700 0.090 0.000 2.149 195 N HA -0.219 4.521 4.740 -0.000 0.000 0.188 195 N C 1.646 177.194 175.510 0.062 0.000 1.019 195 N CA 1.681 54.790 53.050 0.098 0.000 0.857 195 N CB -0.092 38.499 38.487 0.173 0.000 0.997 195 N HN 0.601 nan 8.380 nan 0.000 0.426 196 H N -0.473 118.589 119.070 -0.012 0.000 2.539 196 H HA 0.326 4.882 4.556 -0.000 0.000 0.269 196 H C -0.365 174.960 175.328 -0.006 0.000 0.980 196 H CA 0.156 56.199 56.048 -0.010 0.000 1.152 196 H CB 0.264 30.021 29.762 -0.008 0.000 1.407 196 H HN 0.147 nan 8.280 nan 0.000 0.564 197 N N 0.054 118.786 118.700 0.054 0.000 2.549 197 N HA 0.020 4.760 4.740 -0.000 0.000 0.281 197 N C 0.474 175.995 175.510 0.019 0.000 1.084 197 N CA 0.239 53.314 53.050 0.042 0.000 0.862 197 N CB 1.888 40.413 38.487 0.064 0.000 1.333 197 N HN 0.217 nan 8.380 nan 0.000 0.523 198 T N -1.442 113.107 114.554 -0.008 0.000 2.849 198 T HA -0.235 4.115 4.350 -0.000 0.000 0.270 198 T C 1.582 176.260 174.700 -0.036 0.000 1.066 198 T CA 1.143 63.216 62.100 -0.046 0.000 1.130 198 T CB 0.022 68.858 68.868 -0.055 0.000 0.864 198 T HN 0.475 nan 8.240 nan 0.000 0.481 199 Q N 1.409 121.255 119.800 0.077 0.000 2.425 199 Q HA 0.377 4.717 4.340 -0.000 0.000 0.204 199 Q C 0.886 177.144 176.000 0.430 0.000 0.933 199 Q CA 0.349 56.311 55.803 0.265 0.000 0.939 199 Q CB -0.347 28.532 28.738 0.234 0.000 1.044 199 Q HN 0.625 nan 8.270 nan 0.000 0.513 200 A N 1.274 124.231 122.820 0.229 0.000 2.340 200 A HA 0.556 4.876 4.320 -0.000 0.000 0.268 200 A C -0.611 177.163 177.584 0.317 0.000 1.100 200 A CA -0.492 51.679 52.037 0.223 0.000 0.803 200 A CB 1.366 20.432 19.000 0.110 0.000 1.043 200 A HN 0.184 nan 8.150 nan 0.000 0.488 201 V N 1.354 121.446 119.914 0.298 0.000 2.735 201 V HA 0.877 4.997 4.120 -0.000 0.000 0.310 201 V C 0.292 176.511 176.094 0.208 0.000 1.061 201 V CA 0.647 63.139 62.300 0.320 0.000 0.913 201 V CB 1.998 34.086 31.823 0.442 0.000 1.005 201 V HN 1.575 nan 8.190 nan 0.000 0.428 202 G N 4.106 113.021 108.800 0.192 0.000 2.815 202 G HA2 0.780 4.739 3.960 -0.000 0.000 0.305 202 G HA3 0.780 4.739 3.960 -0.000 0.000 0.305 202 G C -1.535 173.409 174.900 0.074 0.000 1.277 202 G CA -0.323 44.827 45.100 0.084 0.000 0.795 202 G HN 1.267 nan 8.290 nan 0.000 0.528 203 F N -0.635 119.233 119.950 -0.136 0.000 2.591 203 F HA 0.843 5.370 4.527 -0.000 0.000 0.309 203 F C -0.597 175.137 175.800 -0.111 0.000 1.098 203 F CA -1.478 56.402 58.000 -0.199 0.000 0.937 203 F CB 1.565 40.230 39.000 -0.558 0.000 1.250 203 F HN 0.667 nan 8.300 nan 0.000 0.447 204 I N -0.496 120.124 120.570 0.083 0.000 3.095 204 I HA 0.720 4.890 4.170 -0.000 0.000 0.310 204 I C -0.542 175.638 176.117 0.106 0.000 1.196 204 I CA -1.298 60.027 61.300 0.042 0.000 0.985 204 I CB 2.326 40.326 38.000 -0.001 0.000 1.250 204 I HN 0.768 nan 8.210 nan 0.000 0.446 205 S N 2.497 118.246 115.700 0.083 0.000 2.549 205 S HA 0.188 4.658 4.470 -0.000 0.000 0.283 205 S C 0.943 175.566 174.600 0.039 0.000 1.320 205 S CA -0.504 57.742 58.200 0.076 0.000 1.058 205 S CB 1.171 64.410 63.200 0.064 0.000 0.882 205 S HN 0.818 nan 8.310 nan 0.000 0.498 206 I N 2.791 123.379 120.570 0.030 0.000 2.361 206 I HA -0.035 4.135 4.170 -0.000 0.000 0.251 206 I C 2.077 178.172 176.117 -0.036 0.000 1.133 206 I CA 1.590 62.889 61.300 -0.002 0.000 1.413 206 I CB -0.814 37.181 38.000 -0.009 0.000 1.073 206 I HN 0.891 nan 8.210 nan 0.000 0.424 207 G N -0.183 108.580 108.800 -0.061 0.000 2.509 207 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.218 207 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.218 207 G C 1.570 176.440 174.900 -0.049 0.000 1.124 207 G CA 0.793 45.846 45.100 -0.079 0.000 0.776 207 G HN 0.566 nan 8.290 nan 0.000 0.547 208 S N -0.400 115.284 115.700 -0.028 0.000 2.575 208 S HA 0.262 4.732 4.470 -0.000 0.000 0.215 208 S C 0.700 175.292 174.600 -0.014 0.000 0.966 208 S CA -0.384 57.806 58.200 -0.016 0.000 0.911 208 S CB 0.183 63.381 63.200 -0.004 0.000 0.780 208 S HN -0.039 nan 8.310 nan 0.000 0.514 209 V N 4.143 124.048 119.914 -0.015 0.000 2.617 209 V HA 0.281 4.401 4.120 -0.000 0.000 0.304 209 V C 0.266 176.350 176.094 -0.016 0.000 1.040 209 V CA 0.473 62.765 62.300 -0.013 0.000 1.149 209 V CB -0.096 31.717 31.823 -0.016 0.000 0.914 209 V HN 0.787 nan 8.190 nan 0.000 0.487 210 D N 4.099 124.492 120.400 -0.012 0.000 2.812 210 D HA 0.319 4.959 4.640 -0.000 0.000 0.318 210 D C 0.120 176.415 176.300 -0.009 0.000 1.234 210 D CA -0.810 53.183 54.000 -0.012 0.000 0.989 210 D CB 0.779 41.572 40.800 -0.011 0.000 1.442 210 D HN 0.036 nan 8.370 nan 0.000 0.537 211 K N -0.291 120.104 120.400 -0.009 0.000 2.525 211 K HA 0.073 4.393 4.320 -0.000 0.000 0.192 211 K C 1.376 177.972 176.600 -0.007 0.000 1.029 211 K CA 0.574 56.855 56.287 -0.010 0.000 1.029 211 K CB -0.433 32.060 32.500 -0.012 0.000 0.814 211 K HN 0.513 nan 8.250 nan 0.000 0.503 212 S N -0.583 115.117 115.700 -0.001 0.000 2.527 212 S HA 0.018 4.488 4.470 -0.000 0.000 0.222 212 S C 0.955 175.558 174.600 0.005 0.000 0.985 212 S CA -0.124 58.081 58.200 0.008 0.000 0.921 212 S CB -0.380 62.833 63.200 0.021 0.000 0.772 212 S HN 0.015 nan 8.310 nan 0.000 0.529 213 V N -2.058 117.856 119.914 0.000 0.000 3.078 213 V HA 0.676 4.796 4.120 -0.000 0.000 0.311 213 V C -1.045 175.047 176.094 -0.003 0.000 1.138 213 V CA -1.363 60.938 62.300 0.001 0.000 1.007 213 V CB 1.879 33.707 31.823 0.008 0.000 1.045 213 V HN 0.138 nan 8.190 nan 0.000 0.432 214 K N 1.812 122.210 120.400 -0.003 0.000 2.339 214 K HA 0.813 5.133 4.320 -0.000 0.000 0.264 214 K C -0.220 176.393 176.600 0.021 0.000 0.986 214 K CA -0.264 56.022 56.287 -0.003 0.000 0.866 214 K CB 1.478 33.965 32.500 -0.021 0.000 1.103 214 K HN 1.280 nan 8.250 nan 0.000 0.441 215 A N 5.489 128.324 122.820 0.024 0.000 2.363 215 A HA 0.471 4.791 4.320 -0.000 0.000 0.270 215 A C 0.087 177.708 177.584 0.061 0.000 1.121 215 A CA -0.742 51.324 52.037 0.047 0.000 0.800 215 A CB -0.026 18.987 19.000 0.022 0.000 1.052 215 A HN 0.863 nan 8.150 nan 0.000 0.493 216 I N -0.613 120.024 120.570 0.111 0.000 3.100 216 I HA 0.520 4.690 4.170 -0.000 0.000 0.312 216 I C -0.098 176.133 176.117 0.189 0.000 1.063 216 I CA -1.115 60.265 61.300 0.132 0.000 1.031 216 I CB 1.208 39.301 38.000 0.156 0.000 1.243 216 I HN 0.648 nan 8.210 nan 0.000 0.483 217 Q N 1.131 121.044 119.800 0.188 0.000 2.394 217 Q HA 0.292 4.632 4.340 -0.000 0.000 0.248 217 Q C -1.462 174.766 176.000 0.380 0.000 0.992 217 Q CA -0.062 55.894 55.803 0.256 0.000 0.888 217 Q CB 1.228 30.061 28.738 0.158 0.000 1.257 217 Q HN 0.528 nan 8.270 nan 0.000 0.462 218 F N 2.075 122.193 119.950 0.279 0.000 2.449 218 F HA 0.168 4.695 4.527 -0.000 0.000 0.342 218 F C -0.233 175.623 175.800 0.092 0.000 1.127 218 F CA -0.725 57.372 58.000 0.162 0.000 0.975 218 F CB 0.961 39.985 39.000 0.039 0.000 1.146 218 F HN 0.573 nan 8.300 nan 0.000 0.444 219 E N 5.492 125.345 120.200 -0.578 0.000 2.238 219 E HA -0.291 4.059 4.350 -0.000 0.000 0.219 219 E C 0.179 176.704 176.600 -0.124 0.000 1.275 219 E CA 0.974 57.131 56.400 -0.405 0.000 0.714 219 E CB -0.791 28.590 29.700 -0.532 0.000 1.154 219 E HN 0.764 nan 8.360 nan 0.000 0.363 220 K N -4.450 115.932 120.400 -0.030 0.000 3.407 220 K HA -0.226 4.094 4.320 -0.000 0.000 0.312 220 K C 0.136 176.778 176.600 0.069 0.000 1.302 220 K CA 1.409 57.711 56.287 0.026 0.000 0.931 220 K CB -2.001 30.498 32.500 -0.002 0.000 1.257 220 K HN 0.470 nan 8.250 nan 0.000 0.454 221 A N 1.260 124.162 122.820 0.137 0.000 2.317 221 A HA 0.492 4.812 4.320 -0.000 0.000 0.327 221 A C -0.139 177.584 177.584 0.233 0.000 1.178 221 A CA -0.642 51.509 52.037 0.190 0.000 0.817 221 A CB 0.731 19.895 19.000 0.272 0.000 1.189 221 A HN 0.088 nan 8.150 nan 0.000 0.489 222 D N 3.223 123.678 120.400 0.091 0.000 2.414 222 D HA 0.248 4.888 4.640 -0.000 0.000 0.242 222 D C -2.221 173.911 176.300 -0.280 0.000 1.129 222 D CA -0.788 53.194 54.000 -0.030 0.000 0.885 222 D CB 0.766 41.538 40.800 -0.048 0.000 1.198 222 D HN 0.267 nan 8.370 nan 0.000 0.437 223 P HA 0.058 nan 4.420 nan 0.000 0.238 223 P C -0.456 176.556 177.300 -0.480 0.000 1.794 223 P CA -0.268 62.192 63.100 -1.067 0.000 1.088 223 P CB -0.249 31.027 31.700 -0.707 0.000 1.923 224 T N -2.138 112.211 114.554 -0.341 0.000 2.930 224 T HA 0.340 4.690 4.350 -0.000 0.000 0.290 224 T C 1.318 175.952 174.700 -0.109 0.000 1.052 224 T CA -0.534 61.465 62.100 -0.168 0.000 1.017 224 T CB 1.094 69.900 68.868 -0.104 0.000 1.137 224 T HN -0.070 nan 8.240 nan 0.000 0.511 225 S N 0.482 116.143 115.700 -0.065 0.000 2.374 225 S HA -0.160 4.310 4.470 -0.000 0.000 0.227 225 S C 1.605 176.189 174.600 -0.027 0.000 1.037 225 S CA 1.955 60.138 58.200 -0.028 0.000 1.024 225 S CB -0.622 62.568 63.200 -0.016 0.000 0.861 225 S HN 0.965 nan 8.310 nan 0.000 0.456 226 D N 1.198 121.578 120.400 -0.034 0.000 2.144 226 D HA -0.067 4.573 4.640 -0.000 0.000 0.200 226 D C 1.670 177.944 176.300 -0.044 0.000 0.978 226 D CA 0.946 54.924 54.000 -0.036 0.000 0.833 226 D CB -0.180 40.603 40.800 -0.029 0.000 0.961 226 D HN 0.151 nan 8.370 nan 0.000 0.470 227 N N -0.153 118.531 118.700 -0.027 0.000 2.331 227 N HA -0.033 4.707 4.740 -0.000 0.000 0.180 227 N C 1.788 177.312 175.510 0.024 0.000 1.019 227 N CA 0.409 53.464 53.050 0.008 0.000 0.881 227 N CB -0.075 38.448 38.487 0.059 0.000 0.972 227 N HN 0.369 nan 8.380 nan 0.000 0.435 228 I N 0.787 121.367 120.570 0.018 0.000 2.202 228 I HA -0.188 3.982 4.170 -0.000 0.000 0.242 228 I C 2.180 178.161 176.117 -0.226 0.000 1.091 228 I CA 0.829 62.139 61.300 0.017 0.000 1.368 228 I CB -0.198 37.838 38.000 0.061 0.000 1.058 228 I HN 0.050 nan 8.210 nan 0.000 0.410 229 A N 0.568 123.257 122.820 -0.219 0.000 1.972 229 A HA -0.208 4.112 4.320 -0.000 0.000 0.219 229 A C 2.157 179.410 177.584 -0.551 0.000 1.169 229 A CA 1.542 53.382 52.037 -0.328 0.000 0.635 229 A CB -0.409 18.530 19.000 -0.102 0.000 0.810 229 A HN 0.357 nan 8.150 nan 0.000 0.446 230 K N -1.296 118.877 120.400 -0.379 0.000 2.487 230 K HA 0.016 4.336 4.320 -0.000 0.000 0.192 230 K C -0.331 176.062 176.600 -0.345 0.000 1.027 230 K CA 0.365 56.450 56.287 -0.337 0.000 1.054 230 K CB 0.022 32.440 32.500 -0.137 0.000 0.824 230 K HN 0.602 nan 8.250 nan 0.000 0.510 231 H N -0.191 118.825 119.070 -0.091 0.000 2.820 231 H HA -0.140 4.416 4.556 0.000 0.000 0.295 231 H C 1.139 176.458 175.328 -0.015 0.000 1.187 231 H CA 1.406 57.410 56.048 -0.074 0.000 1.144 231 H CB -2.515 27.193 29.762 -0.090 0.000 1.354 231 H HN 0.453 nan 8.280 nan 0.000 0.395 232 T N -4.494 110.104 114.554 0.072 0.000 3.054 232 T HA 0.011 4.361 4.350 -0.000 0.000 0.259 232 T C 0.672 175.466 174.700 0.156 0.000 1.092 232 T CA 0.361 62.512 62.100 0.084 0.000 1.121 232 T CB 0.226 69.126 68.868 0.054 0.000 0.912 232 T HN 0.326 nan 8.240 nan 0.000 0.489 233 Y N 2.146 122.483 120.300 0.062 0.000 2.353 233 Y HA 0.467 5.017 4.550 -0.000 0.000 0.340 233 Y C 1.124 177.099 175.900 0.126 0.000 0.972 233 Y CA -1.285 56.882 58.100 0.112 0.000 1.157 233 Y CB 1.371 39.880 38.460 0.082 0.000 1.157 233 Y HN 0.008 nan 8.280 nan 0.000 0.495 234 Q N 4.335 123.988 119.800 -0.245 0.000 2.389 234 Q HA 0.149 4.489 4.340 -0.000 0.000 0.204 234 Q C -0.099 175.736 176.000 -0.274 0.000 0.944 234 Q CA 0.456 56.177 55.803 -0.136 0.000 0.908 234 Q CB 0.359 29.116 28.738 0.032 0.000 1.002 234 Q HN 0.637 nan 8.270 nan 0.000 0.493 235 L N 2.362 123.208 121.223 -0.628 0.000 2.399 235 L HA 0.201 4.541 4.340 -0.000 0.000 0.257 235 L C -0.130 176.711 176.870 -0.047 0.000 1.236 235 L CA -0.466 54.133 54.840 -0.403 0.000 1.144 235 L CB -0.290 41.444 42.059 -0.542 0.000 1.379 235 L HN 0.074 nan 8.230 nan 0.000 0.414 236 S N 1.953 117.652 115.700 -0.002 0.000 2.661 236 S HA 0.862 5.332 4.470 -0.000 0.000 0.285 236 S C -0.696 173.966 174.600 0.105 0.000 1.138 236 S CA -1.076 57.188 58.200 0.106 0.000 0.855 236 S CB 2.831 66.117 63.200 0.143 0.000 1.136 236 S HN 0.563 nan 8.310 nan 0.000 0.484 237 R N -0.635 119.963 120.500 0.163 0.000 2.698 237 R HA 0.698 5.038 4.340 -0.000 0.000 0.275 237 R C -3.406 172.980 176.300 0.143 0.000 1.001 237 R CA -2.079 54.100 56.100 0.131 0.000 0.896 237 R CB 1.626 31.991 30.300 0.109 0.000 1.218 237 R HN 0.449 nan 8.270 nan 0.000 0.462 238 P HA 0.214 nan 4.420 nan 0.000 0.282 238 P C -1.062 176.212 177.300 -0.044 0.000 1.249 238 P CA -0.390 62.520 63.100 -0.316 0.000 0.806 238 P CB 0.525 31.833 31.700 -0.653 0.000 0.984 239 F N 2.429 122.146 119.950 -0.388 0.000 2.334 239 F HA 0.384 4.911 4.527 0.000 0.000 0.367 239 F C 0.534 176.100 175.800 -0.389 0.000 1.115 239 F CA -0.981 56.818 58.000 -0.334 0.000 1.116 239 F CB 0.141 38.949 39.000 -0.320 0.000 1.230 239 F HN 0.037 nan 8.300 nan 0.000 0.484 240 L N 4.778 125.863 121.223 -0.230 0.000 2.325 240 L HA 0.553 4.893 4.340 -0.000 0.000 0.278 240 L C -0.384 176.255 176.870 -0.385 0.000 1.023 240 L CA -0.806 53.850 54.840 -0.307 0.000 0.811 240 L CB 1.995 43.926 42.059 -0.213 0.000 1.249 240 L HN 0.212 nan 8.230 nan 0.000 0.431 241 I N 4.275 124.481 120.570 -0.606 0.000 2.378 241 I HA 0.439 4.609 4.170 -0.000 0.000 0.291 241 I C -0.243 175.660 176.117 -0.357 0.000 0.992 241 I CA -0.399 60.524 61.300 -0.629 0.000 1.154 241 I CB 1.646 38.957 38.000 -1.148 0.000 1.315 241 I HN 0.414 nan 8.210 nan 0.000 0.448 242 L N 7.134 128.255 121.223 -0.169 0.000 2.341 242 L HA 0.629 4.969 4.340 -0.000 0.000 0.278 242 L C -0.463 176.436 176.870 0.049 0.000 1.005 242 L CA -0.630 54.186 54.840 -0.039 0.000 0.818 242 L CB 1.753 43.745 42.059 -0.111 0.000 1.259 242 L HN 0.803 nan 8.230 nan 0.000 0.418 243 H N -0.107 118.864 119.070 -0.166 0.000 2.932 243 H HA 0.384 4.940 4.556 -0.000 0.000 0.307 243 H C -1.719 173.427 175.328 -0.304 0.000 1.391 243 H CA -0.961 54.960 56.048 -0.211 0.000 1.130 243 H CB 1.199 30.950 29.762 -0.019 0.000 1.836 243 H HN 0.319 nan 8.280 nan 0.000 0.522 244 Y N 2.161 122.347 120.300 -0.190 0.000 2.849 244 Y HA 0.142 4.692 4.550 -0.000 0.000 0.356 244 Y C 1.732 177.356 175.900 -0.460 0.000 1.236 244 Y CA 0.274 58.177 58.100 -0.329 0.000 1.508 244 Y CB 0.097 38.464 38.460 -0.155 0.000 1.619 244 Y HN 0.855 nan 8.280 nan 0.000 0.513 245 S N -0.321 114.930 115.700 -0.748 0.000 2.355 245 S HA -0.373 4.097 4.470 -0.000 0.000 0.318 245 S C 1.597 176.131 174.600 -0.110 0.000 1.057 245 S CA 2.273 60.192 58.200 -0.469 0.000 1.684 245 S CB -0.469 62.556 63.200 -0.291 0.000 1.408 245 S HN 0.540 nan 8.310 nan 0.000 0.465 246 D N 1.596 121.934 120.400 -0.102 0.000 2.178 246 D HA -0.000 4.640 4.640 -0.000 0.000 0.201 246 D C 1.735 178.027 176.300 -0.013 0.000 0.980 246 D CA 1.084 55.070 54.000 -0.024 0.000 0.842 246 D CB -0.864 39.928 40.800 -0.014 0.000 0.948 246 D HN 0.565 nan 8.370 nan 0.000 0.472 247 N N -0.022 118.658 118.700 -0.033 0.000 2.575 247 N HA 0.031 4.771 4.740 -0.000 0.000 0.192 247 N C -0.277 175.247 175.510 0.023 0.000 1.200 247 N CA -0.008 53.030 53.050 -0.019 0.000 0.897 247 N CB 0.082 38.527 38.487 -0.070 0.000 0.990 247 N HN 0.041 nan 8.380 nan 0.000 0.449 248 A N -0.111 122.746 122.820 0.062 0.000 2.252 248 A HA 0.405 4.725 4.320 -0.000 0.000 0.305 248 A C -0.077 177.553 177.584 0.076 0.000 1.097 248 A CA -0.691 51.405 52.037 0.098 0.000 0.849 248 A CB 0.289 19.389 19.000 0.165 0.000 1.142 248 A HN 0.486 nan 8.150 nan 0.000 0.499 249 D N -0.539 119.907 120.400 0.077 0.000 2.411 249 D HA 0.229 4.869 4.640 -0.000 0.000 0.251 249 D C 0.567 176.914 176.300 0.078 0.000 1.201 249 D CA -0.397 53.642 54.000 0.065 0.000 0.996 249 D CB 0.385 41.218 40.800 0.055 0.000 1.101 249 D HN 0.351 nan 8.370 nan 0.000 0.504 250 E N -0.389 119.854 120.200 0.072 0.000 2.085 250 E HA -0.235 4.115 4.350 -0.000 0.000 0.194 250 E C 1.953 178.615 176.600 0.104 0.000 0.994 250 E CA 1.547 57.997 56.400 0.084 0.000 0.801 250 E CB -0.453 29.292 29.700 0.075 0.000 0.743 250 E HN 0.808 nan 8.360 nan 0.000 0.453 251 Q N -0.249 119.611 119.800 0.100 0.000 2.230 251 Q HA -0.021 4.319 4.340 -0.000 0.000 0.202 251 Q C 1.805 177.874 176.000 0.116 0.000 0.963 251 Q CA 1.466 57.342 55.803 0.121 0.000 0.866 251 Q CB -0.430 28.373 28.738 0.109 0.000 0.931 251 Q HN 0.032 nan 8.270 nan 0.000 0.452 252 T N 1.676 116.291 114.554 0.103 0.000 2.737 252 T HA -0.081 4.269 4.350 -0.000 0.000 0.265 252 T C 1.594 176.373 174.700 0.131 0.000 1.038 252 T CA 1.457 63.627 62.100 0.118 0.000 1.144 252 T CB -0.054 68.889 68.868 0.126 0.000 0.866 252 T HN 0.330 nan 8.240 nan 0.000 0.434 253 K N 1.080 121.558 120.400 0.130 0.000 2.063 253 K HA -0.139 4.181 4.320 -0.000 0.000 0.208 253 K C 2.374 179.031 176.600 0.095 0.000 1.048 253 K CA 1.392 57.750 56.287 0.118 0.000 0.928 253 K CB -0.170 32.399 32.500 0.114 0.000 0.713 253 K HN 0.467 nan 8.250 nan 0.000 0.442 254 E N 0.058 120.336 120.200 0.129 0.000 2.110 254 E HA -0.178 4.172 4.350 -0.000 0.000 0.193 254 E C 1.769 178.457 176.600 0.147 0.000 0.988 254 E CA 1.016 57.520 56.400 0.173 0.000 0.804 254 E CB -0.119 29.733 29.700 0.254 0.000 0.745 254 E HN 0.206 nan 8.360 nan 0.000 0.458 255 F N 1.136 121.008 119.950 -0.130 0.000 2.163 255 F HA -0.133 4.394 4.527 0.000 0.000 0.297 255 F C 1.876 177.593 175.800 -0.138 0.000 1.094 255 F CA 0.784 58.542 58.000 -0.404 0.000 1.290 255 F CB 0.012 38.681 39.000 -0.552 0.000 1.017 255 F HN -0.057 nan 8.300 nan 0.000 0.483 256 I N 0.799 121.272 120.570 -0.161 0.000 2.208 256 I HA -0.308 3.862 4.170 -0.000 0.000 0.245 256 I C 2.726 178.699 176.117 -0.240 0.000 1.097 256 I CA 1.533 62.695 61.300 -0.230 0.000 1.363 256 I CB -2.069 35.797 38.000 -0.224 0.000 1.051 256 I HN 0.220 nan 8.210 nan 0.000 0.413 257 A N 0.638 123.384 122.820 -0.123 0.000 1.908 257 A HA -0.276 4.044 4.320 -0.000 0.000 0.218 257 A C 2.300 179.835 177.584 -0.081 0.000 1.181 257 A CA 1.596 53.581 52.037 -0.086 0.000 0.627 257 A CB -1.129 17.882 19.000 0.017 0.000 0.818 257 A HN 0.409 nan 8.150 nan 0.000 0.445 258 F N 0.809 120.642 119.950 -0.195 0.000 2.126 258 F HA -0.153 4.373 4.527 -0.000 0.000 0.299 258 F C 1.793 177.433 175.800 -0.267 0.000 1.096 258 F CA 1.718 59.611 58.000 -0.178 0.000 1.255 258 F CB -0.361 38.544 39.000 -0.159 0.000 0.997 258 F HN 0.141 nan 8.300 nan 0.000 0.479 259 L N 0.063 120.917 121.223 -0.614 0.000 2.191 259 L HA -0.191 4.149 4.340 -0.000 0.000 0.212 259 L C 2.003 178.669 176.870 -0.341 0.000 1.103 259 L CA 1.374 55.888 54.840 -0.543 0.000 0.769 259 L CB -0.638 41.231 42.059 -0.317 0.000 0.908 259 L HN 0.118 nan 8.230 nan 0.000 0.438 260 K N -0.259 119.940 120.400 -0.335 0.000 2.404 260 K HA 0.054 4.374 4.320 -0.000 0.000 0.194 260 K C 0.971 177.440 176.600 -0.219 0.000 1.023 260 K CA -0.057 56.054 56.287 -0.293 0.000 1.094 260 K CB 0.293 32.569 32.500 -0.373 0.000 0.841 260 K HN 0.276 nan 8.250 nan 0.000 0.523 261 S N 0.184 115.734 115.700 -0.250 0.000 2.617 261 S HA 0.091 4.561 4.470 -0.000 0.000 0.269 261 S C 1.091 175.606 174.600 -0.143 0.000 1.292 261 S CA -0.586 57.515 58.200 -0.164 0.000 1.010 261 S CB 1.725 64.852 63.200 -0.122 0.000 0.944 261 S HN 0.002 nan 8.310 nan 0.000 0.536 262 E N 1.413 121.571 120.200 -0.070 0.000 2.085 262 E HA -0.123 4.227 4.350 -0.000 0.000 0.194 262 E C 2.290 178.866 176.600 -0.040 0.000 0.994 262 E CA 2.035 58.411 56.400 -0.041 0.000 0.801 262 E CB -0.646 29.049 29.700 -0.008 0.000 0.743 262 E HN 0.833 nan 8.360 nan 0.000 0.453 263 S N -0.123 115.563 115.700 -0.024 0.000 2.382 263 S HA -0.111 4.359 4.470 -0.000 0.000 0.228 263 S C 2.224 176.793 174.600 -0.051 0.000 1.027 263 S CA 1.130 59.341 58.200 0.020 0.000 0.991 263 S CB -0.483 62.790 63.200 0.121 0.000 0.823 263 S HN 0.309 nan 8.310 nan 0.000 0.469 264 A N 2.684 125.347 122.820 -0.261 0.000 1.858 264 A HA -0.065 4.255 4.320 -0.000 0.000 0.216 264 A C 2.240 179.734 177.584 -0.150 0.000 1.190 264 A CA 1.658 53.477 52.037 -0.363 0.000 0.617 264 A CB -0.698 17.823 19.000 -0.797 0.000 0.827 264 A HN 0.596 nan 8.150 nan 0.000 0.443 265 K N -0.189 120.141 120.400 -0.117 0.000 2.074 265 K HA -0.202 4.118 4.320 -0.000 0.000 0.209 265 K C 2.160 178.773 176.600 0.022 0.000 1.048 265 K CA 1.768 58.033 56.287 -0.036 0.000 0.926 265 K CB -0.171 32.312 32.500 -0.030 0.000 0.713 265 K HN 0.518 nan 8.250 nan 0.000 0.444 266 K N 1.243 121.658 120.400 0.024 0.000 2.032 266 K HA -0.126 4.194 4.320 -0.000 0.000 0.209 266 K C 2.052 178.714 176.600 0.104 0.000 1.048 266 K CA 1.137 57.457 56.287 0.056 0.000 0.927 266 K CB -0.056 32.474 32.500 0.050 0.000 0.712 266 K HN 0.061 nan 8.250 nan 0.000 0.441 267 L N 0.692 121.988 121.223 0.121 0.000 2.017 267 L HA -0.193 4.147 4.340 -0.000 0.000 0.208 267 L C 2.358 179.404 176.870 0.293 0.000 1.073 267 L CA 1.125 56.100 54.840 0.226 0.000 0.745 267 L CB -0.327 41.847 42.059 0.192 0.000 0.894 267 L HN 0.240 nan 8.230 nan 0.000 0.432 268 I N -0.429 120.248 120.570 0.179 0.000 2.151 268 I HA -0.299 3.871 4.170 -0.000 0.000 0.243 268 I C 2.495 178.793 176.117 0.301 0.000 1.080 268 I CA 1.763 63.199 61.300 0.226 0.000 1.339 268 I CB -0.417 37.646 38.000 0.106 0.000 1.039 268 I HN 0.205 nan 8.210 nan 0.000 0.409 269 V N -1.873 118.152 119.914 0.186 0.000 2.427 269 V HA -0.199 3.921 4.120 -0.000 0.000 0.248 269 V C 2.075 178.236 176.094 0.111 0.000 1.051 269 V CA 1.536 63.919 62.300 0.138 0.000 1.048 269 V CB -0.921 30.950 31.823 0.080 0.000 0.666 269 V HN 0.404 nan 8.190 nan 0.000 0.456 270 E N -0.575 119.699 120.200 0.123 0.000 2.209 270 E HA -0.193 4.157 4.350 -0.000 0.000 0.196 270 E C 1.654 178.228 176.600 -0.044 0.000 0.993 270 E CA 1.784 58.206 56.400 0.038 0.000 0.819 270 E CB -0.193 29.539 29.700 0.054 0.000 0.745 270 E HN 0.845 nan 8.360 nan 0.000 0.477 271 Y N -1.212 119.130 120.300 0.071 0.000 2.457 271 Y HA 0.202 4.752 4.550 -0.000 0.000 0.263 271 Y C 1.397 177.206 175.900 -0.152 0.000 1.164 271 Y CA 0.499 58.628 58.100 0.048 0.000 1.274 271 Y CB 1.410 39.997 38.460 0.212 0.000 1.097 271 Y HN 0.096 nan 8.280 nan 0.000 0.523 272 G N -1.479 107.278 108.800 -0.073 0.000 2.184 272 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.206 272 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.206 272 G C -0.245 174.441 174.900 -0.358 0.000 0.995 272 G CA -0.545 44.407 45.100 -0.246 0.000 0.651 272 G HN 0.234 nan 8.290 nan 0.000 0.511 273 Y N -0.117 120.215 120.300 0.053 0.000 2.392 273 Y HA 0.790 5.340 4.550 -0.000 0.000 0.323 273 Y C 1.217 177.125 175.900 0.013 0.000 1.291 273 Y CA -0.872 57.222 58.100 -0.009 0.000 1.345 273 Y CB 0.761 39.191 38.460 -0.049 0.000 1.320 273 Y HN 0.134 nan 8.280 nan 0.000 0.518 276 P HA 0.000 nan 4.420 nan 0.000 0.216 276 P CA 0.000 63.290 63.100 0.316 0.000 0.800 276 P CB 0.000 31.890 31.700 0.316 0.000 0.726