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 2e37_1_D DATA FIRST_RESID 2 DATA SEQUENCE KVGIVGSGXV GSATAYALAL LGVAREVVLV DLDRKLAQAH AEDILHATPF DATA SEQUENCE AHPVWVRAGS YGDLEGARAV VLAAGVAXXX XXXRLQLLDR NAQVFAQVVP DATA SEQUENCE RVLEAAPEAV LLVATNPVDV XTQVAYRLSG LPPGRVVGSG TILDTARFRA DATA SEQUENCE LLAEYLRVAP QSVHAYVLGE HGDSEVLVWS SAQVGGVPLL EFAEAXXRAL DATA SEQUENCE SPEDRARIDE GVRRAAYRII EGKGATYYGI GAGLARLVRA ILTDEKGVYT DATA SEQUENCE VSAFTPEVEG VLEVSLSLPR ILGAGGVEGT VYPSLSPEER EALRRSAEIL DATA SEQUENCE KEAAFALGF 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 2 K HA 0.000 nan 4.320 nan 0.000 0.191 2 K C 0.000 176.591 176.600 -0.014 0.000 0.988 2 K CA 0.000 56.291 56.287 0.007 0.000 0.838 2 K CB 0.000 32.503 32.500 0.006 0.000 1.064 3 V N 0.864 120.760 119.914 -0.030 0.000 2.735 3 V HA 0.917 5.037 4.120 0.000 0.000 0.310 3 V C -0.553 175.508 176.094 -0.054 0.000 1.061 3 V CA 0.181 62.459 62.300 -0.037 0.000 0.913 3 V CB 1.759 33.561 31.823 -0.035 0.000 1.005 3 V HN 0.999 nan 8.190 nan 0.000 0.428 4 G N 5.247 114.015 108.800 -0.052 0.000 2.432 4 G HA2 0.752 4.712 3.960 0.000 0.000 0.331 4 G HA3 0.752 4.712 3.960 0.000 0.000 0.331 4 G C -1.246 173.617 174.900 -0.061 0.000 1.170 4 G CA -0.730 44.332 45.100 -0.064 0.000 0.943 4 G HN 0.838 nan 8.290 nan 0.000 0.483 5 I N 1.292 121.817 120.570 -0.075 0.000 2.497 5 I HA 0.227 4.397 4.170 0.000 0.000 0.284 5 I C -0.689 175.378 176.117 -0.083 0.000 1.060 5 I CA -0.845 60.413 61.300 -0.070 0.000 1.071 5 I CB 2.341 40.300 38.000 -0.069 0.000 1.216 5 I HN 0.063 nan 8.210 nan 0.000 0.442 6 V N 4.983 124.855 119.914 -0.069 0.000 2.370 6 V HA 0.819 4.939 4.120 0.000 0.000 0.279 6 V C 0.518 176.581 176.094 -0.051 0.000 1.029 6 V CA -0.409 61.844 62.300 -0.077 0.000 0.870 6 V CB 0.967 32.771 31.823 -0.031 0.000 0.984 6 V HN 1.046 nan 8.190 nan 0.000 0.451 7 G N 3.482 112.246 108.800 -0.060 0.000 3.224 7 G HA2 -0.110 3.851 3.960 0.000 0.000 0.684 7 G HA3 -0.110 3.851 3.960 0.000 0.000 0.684 7 G C -0.085 174.783 174.900 -0.053 0.000 1.180 7 G CA -0.312 44.768 45.100 -0.033 0.000 1.099 7 G HN 0.657 nan 8.290 nan 0.000 0.476 8 S N 1.187 116.860 115.700 -0.046 0.000 2.582 8 S HA 0.479 4.949 4.470 0.000 0.000 0.249 8 S C 1.507 176.073 174.600 -0.057 0.000 1.072 8 S CA 0.281 58.449 58.200 -0.053 0.000 1.115 8 S CB 0.296 63.521 63.200 0.042 0.000 0.790 8 S HN 1.298 nan 8.310 nan 0.000 0.459 12 G N 1.247 109.998 108.800 -0.081 0.000 2.446 12 G HA2 -0.305 3.655 3.960 0.000 0.000 0.217 12 G HA3 -0.305 3.655 3.960 0.000 0.000 0.217 12 G C 1.789 176.606 174.900 -0.138 0.000 1.168 12 G CA 2.158 47.203 45.100 -0.091 0.000 0.771 12 G HN 0.818 nan 8.290 nan 0.000 0.551 13 S N 1.162 116.696 115.700 -0.277 0.000 2.382 13 S HA 0.139 4.609 4.470 0.000 0.000 0.228 13 S C 2.567 177.075 174.600 -0.154 0.000 1.027 13 S CA 1.562 59.530 58.200 -0.387 0.000 0.991 13 S CB -0.448 62.134 63.200 -1.030 0.000 0.823 13 S HN 0.642 nan 8.310 nan 0.000 0.469 14 A N 1.427 124.197 122.820 -0.083 0.000 1.968 14 A HA 0.052 4.372 4.320 0.000 0.000 0.217 14 A C 2.363 180.047 177.584 0.167 0.000 1.169 14 A CA 1.753 53.864 52.037 0.123 0.000 0.638 14 A CB -1.413 17.695 19.000 0.180 0.000 0.812 14 A HN 0.565 nan 8.150 nan 0.000 0.446 15 T N 0.290 114.887 114.554 0.071 0.000 2.737 15 T HA 0.001 4.351 4.350 0.000 0.000 0.265 15 T C 2.288 177.024 174.700 0.060 0.000 1.038 15 T CA 1.511 63.645 62.100 0.057 0.000 1.144 15 T CB -0.448 68.427 68.868 0.012 0.000 0.866 15 T HN 0.577 nan 8.240 nan 0.000 0.434 16 A N 0.725 123.569 122.820 0.040 0.000 1.883 16 A HA -0.154 4.166 4.320 0.000 0.000 0.217 16 A C 2.118 179.783 177.584 0.135 0.000 1.186 16 A CA 1.737 53.803 52.037 0.048 0.000 0.624 16 A CB -1.122 17.884 19.000 0.009 0.000 0.822 16 A HN 0.549 nan 8.150 nan 0.000 0.444 17 Y N 0.617 120.930 120.300 0.022 0.000 2.128 17 Y HA -0.138 4.412 4.550 0.000 0.000 0.284 17 Y C 2.720 178.664 175.900 0.074 0.000 1.154 17 Y CA 1.117 59.256 58.100 0.065 0.000 1.149 17 Y CB -0.751 37.767 38.460 0.097 0.000 0.976 17 Y HN 0.314 nan 8.280 nan 0.000 0.505 18 A N -0.098 122.787 122.820 0.109 0.000 1.902 18 A HA -0.146 4.174 4.320 0.000 0.000 0.217 18 A C 2.333 179.901 177.584 -0.027 0.000 1.181 18 A CA 1.731 53.766 52.037 -0.004 0.000 0.623 18 A CB -1.137 17.897 19.000 0.057 0.000 0.818 18 A HN 0.522 nan 8.150 nan 0.000 0.443 19 L N -0.835 120.390 121.223 0.004 0.000 2.083 19 L HA -0.187 4.153 4.340 0.000 0.000 0.209 19 L C 3.023 179.886 176.870 -0.012 0.000 1.083 19 L CA 1.051 55.883 54.840 -0.012 0.000 0.752 19 L CB -0.433 41.623 42.059 -0.004 0.000 0.899 19 L HN 0.439 nan 8.230 nan 0.000 0.433 20 A N -0.252 122.575 122.820 0.012 0.000 1.929 20 A HA -0.071 4.249 4.320 0.000 0.000 0.216 20 A C 2.223 179.829 177.584 0.037 0.000 1.176 20 A CA 1.051 53.113 52.037 0.042 0.000 0.628 20 A CB -0.492 18.563 19.000 0.091 0.000 0.816 20 A HN 0.333 nan 8.150 nan 0.000 0.444 21 L N -0.762 120.423 121.223 -0.063 0.000 2.156 21 L HA -0.028 4.312 4.340 0.000 0.000 0.208 21 L C 1.979 178.889 176.870 0.067 0.000 1.095 21 L CA 0.724 55.538 54.840 -0.042 0.000 0.770 21 L CB -0.245 41.665 42.059 -0.247 0.000 0.914 21 L HN 0.332 nan 8.230 nan 0.000 0.439 22 L N -0.561 120.640 121.223 -0.038 0.000 2.591 22 L HA 0.182 4.522 4.340 0.000 0.000 0.228 22 L C 1.269 177.946 176.870 -0.321 0.000 1.133 22 L CA 0.285 55.064 54.840 -0.102 0.000 0.880 22 L CB -0.399 41.617 42.059 -0.073 0.000 1.033 22 L HN 0.409 nan 8.230 nan 0.000 0.450 23 G N 0.375 108.977 108.800 -0.331 0.000 2.305 23 G HA2 -0.253 3.707 3.960 0.000 0.000 0.287 23 G HA3 -0.253 3.707 3.960 0.000 0.000 0.287 23 G C 0.737 175.495 174.900 -0.237 0.000 1.036 23 G CA 0.443 45.281 45.100 -0.436 0.000 0.887 23 G HN 0.161 nan 8.290 nan 0.000 0.505 24 V N -0.535 119.299 119.914 -0.134 0.000 2.307 24 V HA 0.280 4.400 4.120 0.000 0.000 0.245 24 V C 1.982 178.046 176.094 -0.050 0.000 1.045 24 V CA 2.549 64.799 62.300 -0.084 0.000 1.024 24 V CB -0.598 31.189 31.823 -0.060 0.000 0.651 24 V HN 1.345 nan 8.190 nan 0.000 0.449 25 A N -1.020 121.783 122.820 -0.028 0.000 2.387 25 A HA 0.650 4.970 4.320 0.000 0.000 0.303 25 A C 0.859 178.459 177.584 0.026 0.000 1.145 25 A CA -0.617 51.418 52.037 -0.003 0.000 0.801 25 A CB 1.194 20.192 19.000 -0.003 0.000 1.342 25 A HN 0.195 nan 8.150 nan 0.000 0.440 26 R N -0.410 120.119 120.500 0.049 0.000 2.140 26 R HA 0.114 4.454 4.340 0.000 0.000 0.213 26 R C 0.166 176.556 176.300 0.149 0.000 1.059 26 R CA 1.124 57.279 56.100 0.092 0.000 1.000 26 R CB 0.341 30.694 30.300 0.089 0.000 0.910 26 R HN 0.784 nan 8.270 nan 0.000 0.455 27 E N 0.629 120.895 120.200 0.110 0.000 2.263 27 E HA 0.286 4.636 4.350 0.000 0.000 0.268 27 E C -1.650 174.932 176.600 -0.030 0.000 0.884 27 E CA -0.547 55.905 56.400 0.087 0.000 0.766 27 E CB 2.065 31.850 29.700 0.141 0.000 1.196 27 E HN -0.200 nan 8.360 nan 0.000 0.416 28 V N 4.844 124.701 119.914 -0.095 0.000 2.444 28 V HA 0.371 4.491 4.120 0.000 0.000 0.294 28 V C -0.678 175.297 176.094 -0.198 0.000 1.022 28 V CA -0.815 61.421 62.300 -0.107 0.000 0.850 28 V CB 1.626 33.415 31.823 -0.056 0.000 0.992 28 V HN 0.565 nan 8.190 nan 0.000 0.426 29 V N 7.452 127.256 119.914 -0.185 0.000 2.384 29 V HA 0.570 4.690 4.120 0.000 0.000 0.287 29 V C -0.462 175.536 176.094 -0.160 0.000 1.020 29 V CA -0.386 61.782 62.300 -0.220 0.000 0.850 29 V CB 1.595 33.283 31.823 -0.226 0.000 0.987 29 V HN 0.751 nan 8.190 nan 0.000 0.436 30 L N 7.177 128.306 121.223 -0.156 0.000 2.275 30 L HA 0.603 4.943 4.340 0.000 0.000 0.288 30 L C -0.648 176.135 176.870 -0.144 0.000 1.046 30 L CA -0.543 54.221 54.840 -0.126 0.000 0.805 30 L CB 1.716 43.719 42.059 -0.092 0.000 1.193 30 L HN 0.382 nan 8.230 nan 0.000 0.426 31 V N 2.760 122.577 119.914 -0.161 0.000 2.487 31 V HA 0.554 4.674 4.120 0.000 0.000 0.298 31 V C -0.623 175.349 176.094 -0.203 0.000 1.028 31 V CA -0.529 61.633 62.300 -0.228 0.000 0.860 31 V CB 1.987 33.599 31.823 -0.352 0.000 0.991 31 V HN 0.715 nan 8.190 nan 0.000 0.427 32 D N 2.608 122.896 120.400 -0.186 0.000 2.717 32 D HA 0.310 4.950 4.640 0.000 0.000 0.223 32 D C 0.514 176.747 176.300 -0.112 0.000 1.240 32 D CA -0.561 53.364 54.000 -0.125 0.000 0.801 32 D CB 2.588 43.349 40.800 -0.065 0.000 1.556 32 D HN 0.314 nan 8.370 nan 0.000 0.462 33 L N 0.669 121.847 121.223 -0.074 0.000 2.131 33 L HA -0.081 4.259 4.340 0.000 0.000 0.210 33 L C 1.100 177.946 176.870 -0.039 0.000 1.092 33 L CA 0.937 55.748 54.840 -0.048 0.000 0.759 33 L CB -0.058 41.994 42.059 -0.012 0.000 0.903 33 L HN 0.326 nan 8.230 nan 0.000 0.435 34 D N 0.361 120.740 120.400 -0.035 0.000 2.551 34 D HA 0.034 4.674 4.640 0.000 0.000 0.223 34 D C 1.311 177.587 176.300 -0.040 0.000 1.144 34 D CA 0.005 53.987 54.000 -0.031 0.000 1.025 34 D CB 0.398 41.183 40.800 -0.024 0.000 1.085 34 D HN 0.075 nan 8.370 nan 0.000 0.506 35 R N 1.040 121.513 120.500 -0.045 0.000 2.133 35 R HA -0.157 4.183 4.340 0.000 0.000 0.247 35 R C 1.752 178.024 176.300 -0.046 0.000 1.151 35 R CA 0.983 57.052 56.100 -0.051 0.000 0.971 35 R CB 0.162 30.433 30.300 -0.048 0.000 0.866 35 R HN 0.138 nan 8.270 nan 0.000 0.447 36 K N 0.583 120.957 120.400 -0.043 0.000 2.148 36 K HA -0.101 4.219 4.320 0.000 0.000 0.204 36 K C 1.965 178.526 176.600 -0.065 0.000 1.050 36 K CA 0.769 57.027 56.287 -0.049 0.000 0.942 36 K CB -0.342 32.131 32.500 -0.045 0.000 0.724 36 K HN 0.131 nan 8.250 nan 0.000 0.446 37 L N 0.857 122.043 121.223 -0.061 0.000 2.056 37 L HA -0.030 4.310 4.340 0.000 0.000 0.207 37 L C 2.093 178.944 176.870 -0.031 0.000 1.078 37 L CA 1.793 56.586 54.840 -0.078 0.000 0.749 37 L CB -0.787 41.251 42.059 -0.035 0.000 0.901 37 L HN 0.105 nan 8.230 nan 0.000 0.433 38 A N -0.984 121.835 122.820 -0.002 0.000 1.858 38 A HA -0.256 4.064 4.320 0.000 0.000 0.216 38 A C 2.190 179.773 177.584 -0.001 0.000 1.190 38 A CA 1.793 53.840 52.037 0.016 0.000 0.617 38 A CB -0.677 18.299 19.000 -0.040 0.000 0.827 38 A HN 0.617 nan 8.150 nan 0.000 0.443 39 Q N -0.612 119.167 119.800 -0.035 0.000 2.112 39 Q HA -0.180 4.160 4.340 0.000 0.000 0.206 39 Q C 2.403 178.378 176.000 -0.043 0.000 0.987 39 Q CA 1.610 57.389 55.803 -0.040 0.000 0.858 39 Q CB -0.427 28.286 28.738 -0.042 0.000 0.905 39 Q HN 0.702 nan 8.270 nan 0.000 0.420 40 A N 0.537 123.313 122.820 -0.073 0.000 1.873 40 A HA -0.221 4.099 4.320 0.000 0.000 0.215 40 A C 1.798 179.319 177.584 -0.106 0.000 1.186 40 A CA 1.444 53.411 52.037 -0.116 0.000 0.616 40 A CB -0.699 18.187 19.000 -0.190 0.000 0.823 40 A HN 0.351 nan 8.150 nan 0.000 0.442 41 H N -0.275 118.760 119.070 -0.058 0.000 2.321 41 H HA -0.054 4.502 4.556 0.000 0.000 0.300 41 H C 2.568 177.870 175.328 -0.043 0.000 1.087 41 H CA 1.519 57.532 56.048 -0.060 0.000 1.319 41 H CB -0.553 29.167 29.762 -0.070 0.000 1.379 41 H HN 0.492 nan 8.280 nan 0.000 0.501 42 A N 0.674 123.546 122.820 0.087 0.000 1.902 42 A HA -0.187 4.133 4.320 0.000 0.000 0.217 42 A C 2.378 179.972 177.584 0.017 0.000 1.181 42 A CA 1.807 53.862 52.037 0.029 0.000 0.623 42 A CB -0.406 18.578 19.000 -0.026 0.000 0.818 42 A HN 0.526 nan 8.150 nan 0.000 0.443 43 E N -0.529 119.660 120.200 -0.018 0.000 2.208 43 E HA -0.211 4.139 4.350 0.000 0.000 0.193 43 E C 1.529 178.068 176.600 -0.101 0.000 0.988 43 E CA 1.151 57.504 56.400 -0.078 0.000 0.828 43 E CB -0.106 29.530 29.700 -0.106 0.000 0.763 43 E HN 0.538 nan 8.360 nan 0.000 0.478 44 D N 0.099 120.495 120.400 -0.007 0.000 2.149 44 D HA -0.095 4.545 4.640 0.000 0.000 0.201 44 D C 1.796 178.183 176.300 0.146 0.000 0.972 44 D CA 0.955 55.000 54.000 0.075 0.000 0.835 44 D CB 0.002 40.838 40.800 0.059 0.000 0.966 44 D HN 0.284 nan 8.370 nan 0.000 0.476 45 I N 0.032 120.683 120.570 0.135 0.000 2.439 45 I HA -0.153 4.017 4.170 0.000 0.000 0.251 45 I C 2.342 178.590 176.117 0.218 0.000 1.139 45 I CA 0.349 61.782 61.300 0.221 0.000 1.438 45 I CB -0.038 38.090 38.000 0.213 0.000 1.085 45 I HN 0.077 nan 8.210 nan 0.000 0.427 46 L N -0.121 121.183 121.223 0.136 0.000 2.131 46 L HA -0.252 4.088 4.340 0.000 0.000 0.210 46 L C 2.454 179.441 176.870 0.194 0.000 1.092 46 L CA 1.435 56.353 54.840 0.131 0.000 0.759 46 L CB -0.663 41.435 42.059 0.065 0.000 0.903 46 L HN 0.350 nan 8.230 nan 0.000 0.435 47 H N -1.199 117.963 119.070 0.154 0.000 2.422 47 H HA -0.170 4.386 4.556 0.000 0.000 0.298 47 H C 2.157 177.653 175.328 0.279 0.000 1.098 47 H CA 0.809 56.966 56.048 0.183 0.000 1.315 47 H CB 0.282 30.136 29.762 0.153 0.000 1.382 47 H HN 0.424 nan 8.280 nan 0.000 0.523 48 A N 0.088 123.157 122.820 0.416 0.000 2.021 48 A HA -0.112 4.208 4.320 0.000 0.000 0.216 48 A C 2.473 180.260 177.584 0.338 0.000 1.163 48 A CA 1.107 53.399 52.037 0.425 0.000 0.676 48 A CB -0.651 18.611 19.000 0.436 0.000 0.818 48 A HN 0.548 nan 8.150 nan 0.000 0.453 49 T N -1.358 113.334 114.554 0.230 0.000 2.737 49 T HA -0.112 4.238 4.350 0.000 0.000 0.269 49 T C -0.360 174.357 174.700 0.029 0.000 1.040 49 T CA 1.678 63.859 62.100 0.135 0.000 1.142 49 T CB -1.660 67.284 68.868 0.126 0.000 0.861 49 T HN 0.345 nan 8.240 nan 0.000 0.456 50 P HA 0.085 nan 4.420 nan 0.000 0.225 50 P C 0.443 177.444 177.300 -0.499 0.000 1.148 50 P CA 0.675 63.574 63.100 -0.335 0.000 0.779 50 P CB -0.287 31.108 31.700 -0.509 0.000 0.780 51 F N -2.329 117.629 119.950 0.013 0.000 2.641 51 F HA 0.473 5.000 4.527 0.000 0.000 0.302 51 F C 1.476 177.245 175.800 -0.052 0.000 1.098 51 F CA -0.159 57.834 58.000 -0.013 0.000 1.318 51 F CB -0.098 38.908 39.000 0.010 0.000 1.035 51 F HN -0.082 nan 8.300 nan 0.000 0.551 52 A N -1.147 121.683 122.820 0.017 0.000 1.754 52 A HA 0.505 4.825 4.320 0.000 0.000 0.168 52 A C -0.981 176.397 177.584 -0.344 0.000 1.570 52 A CA -0.146 51.827 52.037 -0.107 0.000 2.038 52 A CB 0.472 19.499 19.000 0.045 0.000 2.116 52 A HN 0.211 nan 8.150 nan 0.000 1.083 53 H N -0.373 118.711 119.070 0.024 0.000 2.690 53 H HA 0.521 5.077 4.556 0.000 0.000 0.368 53 H C -2.807 172.538 175.328 0.028 0.000 1.150 53 H CA -1.858 54.200 56.048 0.018 0.000 1.174 53 H CB 1.417 31.188 29.762 0.014 0.000 1.684 53 H HN 0.180 nan 8.280 nan 0.000 0.538 54 P HA 0.031 nan 4.420 nan 0.000 0.264 54 P C -0.934 176.441 177.300 0.124 0.000 1.537 54 P CA 0.190 63.346 63.100 0.094 0.000 1.189 54 P CB -0.036 31.699 31.700 0.059 0.000 1.687 55 V N 3.442 123.443 119.914 0.144 0.000 2.604 55 V HA 0.364 4.484 4.120 0.000 0.000 0.305 55 V C -0.662 175.572 176.094 0.233 0.000 1.043 55 V CA -0.753 61.644 62.300 0.161 0.000 0.888 55 V CB 2.202 34.100 31.823 0.126 0.000 0.995 55 V HN 0.410 nan 8.190 nan 0.000 0.429 56 W N 5.949 127.263 121.300 0.024 0.000 2.316 56 W HA 0.630 5.290 4.660 0.000 0.000 0.339 56 W C -0.814 175.716 176.519 0.018 0.000 1.002 56 W CA -0.970 56.385 57.345 0.018 0.000 1.465 56 W CB 0.786 30.252 29.460 0.009 0.000 1.300 56 W HN 0.348 nan 8.180 nan 0.000 0.378 57 V N 8.383 128.313 119.914 0.026 0.000 2.407 57 V HA 0.592 4.712 4.120 0.000 0.000 0.278 57 V C 0.198 176.133 176.094 -0.265 0.000 1.037 57 V CA -0.639 61.584 62.300 -0.129 0.000 0.900 57 V CB 0.906 32.733 31.823 0.006 0.000 0.983 57 V HN 0.514 nan 8.190 nan 0.000 0.459 58 R N 3.769 124.031 120.500 -0.397 0.000 2.752 58 R HA 0.900 5.240 4.340 0.000 0.000 0.271 58 R C -1.099 175.049 176.300 -0.252 0.000 1.026 58 R CA -0.835 55.054 56.100 -0.351 0.000 0.901 58 R CB 1.979 31.916 30.300 -0.604 0.000 1.243 58 R HN 0.628 nan 8.270 nan 0.000 0.463 59 A N 0.367 123.084 122.820 -0.172 0.000 2.303 59 A HA 0.848 5.168 4.320 0.000 0.000 0.317 59 A C -0.184 177.311 177.584 -0.148 0.000 1.149 59 A CA -0.079 51.876 52.037 -0.137 0.000 0.822 59 A CB 1.285 20.232 19.000 -0.088 0.000 1.131 59 A HN 0.993 nan 8.150 nan 0.000 0.493 60 G N -0.307 108.402 108.800 -0.152 0.000 2.645 60 G HA2 0.596 4.556 3.960 0.000 0.000 0.292 60 G HA3 0.596 4.556 3.960 0.000 0.000 0.292 60 G C -0.351 174.450 174.900 -0.164 0.000 1.415 60 G CA 0.210 45.226 45.100 -0.141 0.000 0.785 60 G HN 1.408 nan 8.290 nan 0.000 0.483 61 S N -1.249 114.370 115.700 -0.135 0.000 2.713 61 S HA 0.430 4.900 4.470 0.000 0.000 0.277 61 S C 0.859 175.366 174.600 -0.156 0.000 1.168 61 S CA -0.500 57.599 58.200 -0.168 0.000 0.994 61 S CB 0.792 63.954 63.200 -0.065 0.000 1.054 61 S HN 0.473 nan 8.310 nan 0.000 0.555 62 Y N 0.982 121.256 120.300 -0.044 0.000 2.207 62 Y HA 0.025 4.575 4.550 0.000 0.000 0.287 62 Y C 2.766 178.640 175.900 -0.043 0.000 1.156 62 Y CA 1.504 59.575 58.100 -0.049 0.000 1.182 62 Y CB -1.228 37.205 38.460 -0.046 0.000 0.979 62 Y HN 0.872 nan 8.280 nan 0.000 0.521 63 G N -0.280 108.589 108.800 0.115 0.000 2.475 63 G HA2 -0.237 3.723 3.960 0.000 0.000 0.220 63 G HA3 -0.237 3.723 3.960 0.000 0.000 0.220 63 G C 1.160 176.075 174.900 0.025 0.000 1.125 63 G CA 1.332 46.466 45.100 0.058 0.000 0.755 63 G HN 0.333 nan 8.290 nan 0.000 0.565 64 D N 0.157 120.555 120.400 -0.003 0.000 2.352 64 D HA 0.057 4.697 4.640 0.000 0.000 0.232 64 D C 1.932 178.209 176.300 -0.037 0.000 1.055 64 D CA 0.117 54.099 54.000 -0.030 0.000 0.891 64 D CB 0.264 41.020 40.800 -0.073 0.000 0.897 64 D HN 0.327 nan 8.370 nan 0.000 0.529 65 L N 0.594 121.812 121.223 -0.009 0.000 2.592 65 L HA 0.087 4.427 4.340 0.000 0.000 0.227 65 L C 0.670 177.540 176.870 -0.001 0.000 1.127 65 L CA 0.076 54.910 54.840 -0.009 0.000 0.884 65 L CB 0.041 42.113 42.059 0.021 0.000 1.065 65 L HN -0.202 nan 8.230 nan 0.000 0.457 66 E N 0.795 120.999 120.200 0.006 0.000 2.480 66 E HA 0.109 4.459 4.350 0.000 0.000 0.258 66 E C 1.106 177.712 176.600 0.010 0.000 0.984 66 E CA 0.718 57.124 56.400 0.010 0.000 0.930 66 E CB 0.473 30.182 29.700 0.015 0.000 0.936 66 E HN 0.354 nan 8.360 nan 0.000 0.466 67 G N 2.444 111.248 108.800 0.007 0.000 2.195 67 G HA2 -0.334 3.626 3.960 0.000 0.000 0.246 67 G HA3 -0.334 3.626 3.960 0.000 0.000 0.246 67 G C 0.436 175.339 174.900 0.004 0.000 0.984 67 G CA -0.085 45.021 45.100 0.010 0.000 0.633 67 G HN 0.813 nan 8.290 nan 0.000 0.525 68 A N 0.188 123.006 122.820 -0.003 0.000 2.524 68 A HA 0.606 4.926 4.320 0.000 0.000 0.250 68 A C 1.313 178.891 177.584 -0.011 0.000 1.078 68 A CA 1.147 53.178 52.037 -0.011 0.000 0.761 68 A CB 0.080 19.069 19.000 -0.019 0.000 1.012 68 A HN 0.508 nan 8.150 nan 0.000 0.500 69 R N 1.416 121.910 120.500 -0.010 0.000 2.153 69 R HA 0.171 4.511 4.340 0.000 0.000 0.218 69 R C 0.614 176.904 176.300 -0.018 0.000 1.072 69 R CA 1.245 57.339 56.100 -0.011 0.000 0.990 69 R CB 0.116 30.411 30.300 -0.009 0.000 0.889 69 R HN 0.812 nan 8.270 nan 0.000 0.452 70 A N 0.007 122.813 122.820 -0.023 0.000 2.475 70 A HA 0.616 4.936 4.320 0.000 0.000 0.301 70 A C -1.325 176.238 177.584 -0.034 0.000 1.059 70 A CA -0.565 51.454 52.037 -0.030 0.000 0.710 70 A CB 2.142 21.121 19.000 -0.036 0.000 1.288 70 A HN -0.048 nan 8.150 nan 0.000 0.408 71 V N 2.132 122.024 119.914 -0.037 0.000 2.569 71 V HA 0.376 4.496 4.120 0.000 0.000 0.301 71 V C -0.444 175.622 176.094 -0.046 0.000 1.044 71 V CA -0.569 61.706 62.300 -0.041 0.000 0.874 71 V CB 1.645 33.445 31.823 -0.038 0.000 1.002 71 V HN 0.733 nan 8.190 nan 0.000 0.424 72 V N 6.282 126.169 119.914 -0.045 0.000 2.498 72 V HA 0.398 4.518 4.120 0.000 0.000 0.279 72 V C 0.017 176.085 176.094 -0.043 0.000 1.048 72 V CA -0.386 61.891 62.300 -0.038 0.000 0.967 72 V CB 1.419 33.223 31.823 -0.031 0.000 0.988 72 V HN 0.626 nan 8.190 nan 0.000 0.473 73 L N 4.811 126.013 121.223 -0.034 0.000 2.277 73 L HA 0.678 5.018 4.340 0.000 0.000 0.284 73 L C 0.388 177.304 176.870 0.076 0.000 1.028 73 L CA -0.246 54.563 54.840 -0.051 0.000 0.835 73 L CB 1.181 43.112 42.059 -0.213 0.000 1.215 73 L HN 0.753 nan 8.230 nan 0.000 0.425 74 A N 2.886 125.742 122.820 0.061 0.000 3.253 74 A HA 0.762 5.082 4.320 0.000 0.000 0.290 74 A C 0.175 177.810 177.584 0.084 0.000 0.950 74 A CA -0.175 51.911 52.037 0.082 0.000 0.986 74 A CB 0.441 19.458 19.000 0.028 0.000 1.104 74 A HN 0.670 nan 8.150 nan 0.000 0.481 75 A N -0.217 122.700 122.820 0.163 0.000 2.420 75 A HA 0.969 5.289 4.320 0.000 0.000 0.291 75 A C 1.035 178.696 177.584 0.128 0.000 1.228 75 A CA 0.065 52.183 52.037 0.135 0.000 0.933 75 A CB -0.066 19.032 19.000 0.163 0.000 1.428 75 A HN 2.395 nan 8.150 nan 0.000 0.493 76 G N -2.495 106.362 108.800 0.095 0.000 2.750 76 G HA2 0.135 4.095 3.960 0.000 0.000 0.228 76 G HA3 0.135 4.095 3.960 0.000 0.000 0.228 76 G C -0.356 174.561 174.900 0.028 0.000 1.367 76 G CA -0.251 44.883 45.100 0.058 0.000 0.871 76 G HN 1.631 nan 8.290 nan 0.000 0.560 77 V N 0.254 120.174 119.914 0.010 0.000 2.881 77 V HA 0.961 5.081 4.120 0.000 0.000 0.316 77 V C 0.923 177.011 176.094 -0.009 0.000 1.070 77 V CA 0.534 62.835 62.300 0.001 0.000 0.976 77 V CB 1.195 33.017 31.823 -0.001 0.000 1.038 77 V HN 2.480 nan 8.190 nan 0.000 0.446 86 L N 1.035 122.263 121.223 0.009 0.000 2.187 86 L HA -0.228 4.112 4.340 0.000 0.000 0.213 86 L C 1.808 178.688 176.870 0.016 0.000 1.100 86 L CA 1.288 56.138 54.840 0.016 0.000 0.765 86 L CB -0.264 41.808 42.059 0.022 0.000 0.904 86 L HN 0.643 nan 8.230 nan 0.000 0.437 87 Q N -0.511 119.297 119.800 0.012 0.000 2.083 87 Q HA -0.150 4.190 4.340 0.000 0.000 0.198 87 Q C 2.257 178.263 176.000 0.009 0.000 0.969 87 Q CA 1.099 56.910 55.803 0.013 0.000 0.838 87 Q CB -0.463 28.281 28.738 0.010 0.000 0.900 87 Q HN 0.368 nan 8.270 nan 0.000 0.436 88 L N 1.008 122.232 121.223 0.001 0.000 2.012 88 L HA -0.150 4.190 4.340 0.000 0.000 0.210 88 L C 2.091 178.952 176.870 -0.015 0.000 1.073 88 L CA 1.554 56.391 54.840 -0.007 0.000 0.748 88 L CB -0.861 41.191 42.059 -0.013 0.000 0.891 88 L HN 0.139 nan 8.230 nan 0.000 0.431 89 L N -0.603 120.610 121.223 -0.017 0.000 2.043 89 L HA -0.279 4.061 4.340 0.000 0.000 0.212 89 L C 2.441 179.304 176.870 -0.013 0.000 1.075 89 L CA 2.061 56.882 54.840 -0.033 0.000 0.752 89 L CB -1.224 40.826 42.059 -0.015 0.000 0.891 89 L HN 0.471 nan 8.230 nan 0.000 0.432 90 D N 0.347 120.759 120.400 0.020 0.000 2.144 90 D HA -0.176 4.465 4.640 0.000 0.000 0.199 90 D C 2.260 178.583 176.300 0.038 0.000 0.984 90 D CA 1.128 55.157 54.000 0.048 0.000 0.834 90 D CB 0.229 41.056 40.800 0.044 0.000 0.955 90 D HN 0.355 nan 8.370 nan 0.000 0.465 91 R N 0.112 120.624 120.500 0.019 0.000 2.073 91 R HA -0.032 4.308 4.340 0.000 0.000 0.229 91 R C 2.133 178.443 176.300 0.017 0.000 1.120 91 R CA 0.696 56.808 56.100 0.021 0.000 0.967 91 R CB -0.233 30.075 30.300 0.015 0.000 0.862 91 R HN 0.153 nan 8.270 nan 0.000 0.436 92 N N 1.146 119.834 118.700 -0.020 0.000 2.188 92 N HA -0.104 4.636 4.740 0.000 0.000 0.184 92 N C 1.694 177.154 175.510 -0.083 0.000 1.018 92 N CA 1.396 54.411 53.050 -0.058 0.000 0.858 92 N CB -0.260 38.139 38.487 -0.145 0.000 0.989 92 N HN 0.199 nan 8.380 nan 0.000 0.426 93 A N 1.054 123.822 122.820 -0.087 0.000 1.978 93 A HA -0.167 4.153 4.320 0.000 0.000 0.220 93 A C 2.087 179.724 177.584 0.089 0.000 1.170 93 A CA 1.272 53.277 52.037 -0.053 0.000 0.636 93 A CB -0.420 18.607 19.000 0.044 0.000 0.810 93 A HN 0.374 nan 8.150 nan 0.000 0.448 94 Q N -0.757 119.098 119.800 0.092 0.000 2.269 94 Q HA -0.014 4.326 4.340 0.000 0.000 0.201 94 Q C 2.018 178.089 176.000 0.120 0.000 0.946 94 Q CA 1.068 56.935 55.803 0.107 0.000 0.877 94 Q CB -0.110 28.674 28.738 0.077 0.000 0.963 94 Q HN 0.523 nan 8.270 nan 0.000 0.472 95 V N 0.245 120.242 119.914 0.139 0.000 2.307 95 V HA -0.225 3.895 4.120 0.000 0.000 0.245 95 V C 1.833 178.076 176.094 0.248 0.000 1.045 95 V CA 1.575 63.980 62.300 0.176 0.000 1.024 95 V CB -0.541 31.400 31.823 0.198 0.000 0.651 95 V HN 0.251 nan 8.190 nan 0.000 0.449 96 F N 1.142 121.090 119.950 -0.004 0.000 2.126 96 F HA -0.146 4.381 4.527 0.000 0.000 0.299 96 F C 2.479 178.262 175.800 -0.029 0.000 1.096 96 F CA 1.061 59.046 58.000 -0.025 0.000 1.255 96 F CB -1.232 37.731 39.000 -0.063 0.000 0.997 96 F HN 0.107 nan 8.300 nan 0.000 0.479 97 A N -0.716 122.213 122.820 0.181 0.000 2.032 97 A HA -0.221 4.099 4.320 0.000 0.000 0.221 97 A C 2.152 179.752 177.584 0.026 0.000 1.165 97 A CA 1.629 53.725 52.037 0.099 0.000 0.645 97 A CB -0.437 18.634 19.000 0.118 0.000 0.807 97 A HN 0.380 nan 8.150 nan 0.000 0.453 98 Q N -0.889 118.926 119.800 0.025 0.000 2.165 98 Q HA 0.026 4.366 4.340 0.000 0.000 0.197 98 Q C 2.353 178.280 176.000 -0.122 0.000 0.952 98 Q CA 1.402 57.188 55.803 -0.028 0.000 0.848 98 Q CB -0.595 28.154 28.738 0.019 0.000 0.931 98 Q HN 0.505 nan 8.270 nan 0.000 0.470 99 V N 0.582 120.433 119.914 -0.105 0.000 2.283 99 V HA -0.169 3.951 4.120 0.000 0.000 0.243 99 V C 2.539 178.460 176.094 -0.288 0.000 1.039 99 V CA 1.206 63.390 62.300 -0.194 0.000 1.016 99 V CB -0.863 30.892 31.823 -0.114 0.000 0.650 99 V HN 0.022 nan 8.190 nan 0.000 0.449 100 V N 1.535 121.294 119.914 -0.260 0.000 2.231 100 V HA -0.233 3.887 4.120 0.000 0.000 0.250 100 V C 0.513 176.490 176.094 -0.195 0.000 1.058 100 V CA 3.012 65.176 62.300 -0.227 0.000 1.022 100 V CB -2.186 29.535 31.823 -0.171 0.000 0.640 100 V HN 0.527 nan 8.190 nan 0.000 0.445 101 P HA -0.192 nan 4.420 nan 0.000 0.215 101 P C 1.562 178.728 177.300 -0.223 0.000 1.153 101 P CA 1.623 64.626 63.100 -0.160 0.000 0.853 101 P CB -0.114 31.510 31.700 -0.127 0.000 0.788 102 R N -0.152 120.131 120.500 -0.361 0.000 2.091 102 R HA -0.085 4.255 4.340 0.000 0.000 0.238 102 R C 2.439 178.471 176.300 -0.446 0.000 1.136 102 R CA 1.238 56.996 56.100 -0.570 0.000 0.959 102 R CB -1.544 27.996 30.300 -1.268 0.000 0.856 102 R HN 0.078 nan 8.270 nan 0.000 0.437 103 V N 0.504 120.213 119.914 -0.342 0.000 2.244 103 V HA -0.202 3.918 4.120 0.000 0.000 0.244 103 V C 2.151 178.196 176.094 -0.082 0.000 1.042 103 V CA 1.733 63.967 62.300 -0.109 0.000 1.006 103 V CB -0.439 31.340 31.823 -0.073 0.000 0.641 103 V HN 0.285 nan 8.190 nan 0.000 0.446 104 L N 0.023 121.185 121.223 -0.102 0.000 2.349 104 L HA -0.199 4.141 4.340 0.000 0.000 0.220 104 L C 2.500 179.332 176.870 -0.064 0.000 1.130 104 L CA 1.519 56.315 54.840 -0.073 0.000 0.791 104 L CB -0.531 41.483 42.059 -0.076 0.000 0.918 104 L HN 0.499 nan 8.230 nan 0.000 0.444 105 E N 0.310 120.460 120.200 -0.083 0.000 2.152 105 E HA -0.174 4.176 4.350 0.000 0.000 0.192 105 E C 2.041 178.618 176.600 -0.038 0.000 0.983 105 E CA 1.051 57.411 56.400 -0.067 0.000 0.818 105 E CB 0.172 29.818 29.700 -0.091 0.000 0.758 105 E HN 0.481 nan 8.360 nan 0.000 0.467 106 A N 0.174 122.978 122.820 -0.027 0.000 2.085 106 A HA 0.453 4.773 4.320 0.000 0.000 0.208 106 A C 1.186 178.769 177.584 -0.002 0.000 1.191 106 A CA 0.541 52.578 52.037 -0.000 0.000 0.799 106 A CB 0.550 19.569 19.000 0.031 0.000 0.877 106 A HN 0.179 nan 8.150 nan 0.000 0.473 107 A N 0.218 123.032 122.820 -0.009 0.000 2.978 107 A HA 0.628 4.948 4.320 0.000 0.000 0.341 107 A C -1.910 175.663 177.584 -0.019 0.000 1.105 107 A CA -1.079 50.951 52.037 -0.010 0.000 0.819 107 A CB 0.350 19.345 19.000 -0.008 0.000 1.080 107 A HN 0.103 nan 8.150 nan 0.000 0.476 108 P HA -0.168 nan 4.420 nan 0.000 0.215 108 P C 0.891 178.182 177.300 -0.016 0.000 1.153 108 P CA 1.342 64.430 63.100 -0.020 0.000 0.853 108 P CB 0.312 32.002 31.700 -0.017 0.000 0.788 109 E N -0.867 119.327 120.200 -0.011 0.000 2.476 109 E HA 0.221 4.572 4.350 0.000 0.000 0.191 109 E C 0.454 177.049 176.600 -0.009 0.000 1.064 109 E CA -0.444 55.952 56.400 -0.008 0.000 0.866 109 E CB -0.038 29.660 29.700 -0.004 0.000 0.952 109 E HN 0.173 nan 8.360 nan 0.000 0.492 110 A N 0.999 123.811 122.820 -0.014 0.000 2.386 110 A HA 0.277 4.597 4.320 0.000 0.000 0.248 110 A C 0.185 177.759 177.584 -0.017 0.000 1.082 110 A CA -0.327 51.700 52.037 -0.017 0.000 0.789 110 A CB 0.706 19.693 19.000 -0.021 0.000 1.025 110 A HN 0.035 nan 8.150 nan 0.000 0.490 111 V N 3.061 122.964 119.914 -0.019 0.000 2.439 111 V HA 0.250 4.370 4.120 0.000 0.000 0.282 111 V C 0.059 176.139 176.094 -0.024 0.000 1.039 111 V CA -0.281 62.009 62.300 -0.017 0.000 0.913 111 V CB 1.154 32.966 31.823 -0.018 0.000 0.983 111 V HN 0.679 nan 8.190 nan 0.000 0.460 112 L N 6.078 127.289 121.223 -0.020 0.000 2.281 112 L HA 0.460 4.800 4.340 0.000 0.000 0.285 112 L C -0.374 176.486 176.870 -0.017 0.000 1.074 112 L CA -0.201 54.622 54.840 -0.029 0.000 0.817 112 L CB 0.821 42.860 42.059 -0.033 0.000 1.168 112 L HN 0.433 nan 8.230 nan 0.000 0.434 113 L N 4.826 126.035 121.223 -0.025 0.000 2.277 113 L HA 0.373 4.713 4.340 0.000 0.000 0.284 113 L C -0.333 176.543 176.870 0.009 0.000 1.028 113 L CA -0.603 54.227 54.840 -0.016 0.000 0.835 113 L CB 1.743 43.782 42.059 -0.034 0.000 1.215 113 L HN 0.337 nan 8.230 nan 0.000 0.425 114 V N 3.380 123.321 119.914 0.045 0.000 2.488 114 V HA 0.280 4.400 4.120 0.000 0.000 0.277 114 V C 0.850 176.993 176.094 0.081 0.000 1.046 114 V CA 0.244 62.613 62.300 0.115 0.000 0.986 114 V CB 1.218 33.147 31.823 0.177 0.000 0.989 114 V HN 0.933 nan 8.190 nan 0.000 0.475 115 A N 3.199 126.081 122.820 0.104 0.000 2.138 115 A HA 0.237 4.557 4.320 0.000 0.000 0.203 115 A C 1.129 178.758 177.584 0.074 0.000 1.286 115 A CA 0.093 52.168 52.037 0.062 0.000 0.929 115 A CB 0.024 19.050 19.000 0.044 0.000 0.975 115 A HN 0.656 nan 8.150 nan 0.000 0.480 116 T N 2.568 117.191 114.554 0.115 0.000 2.908 116 T HA 0.118 4.468 4.350 0.000 0.000 0.301 116 T C -0.049 174.647 174.700 -0.006 0.000 1.019 116 T CA 0.261 62.396 62.100 0.059 0.000 1.152 116 T CB -0.035 68.869 68.868 0.060 0.000 0.966 116 T HN 0.349 nan 8.240 nan 0.000 0.540 117 N N 3.786 122.482 118.700 -0.006 0.000 2.529 117 N HA 0.303 5.043 4.740 0.000 0.000 0.278 117 N C -2.245 173.230 175.510 -0.059 0.000 1.146 117 N CA -1.564 51.481 53.050 -0.010 0.000 0.980 117 N CB 0.546 39.034 38.487 0.002 0.000 1.124 117 N HN 0.395 nan 8.380 nan 0.000 0.458 118 P HA 0.019 nan 4.420 nan 0.000 0.281 118 P C 0.871 178.164 177.300 -0.011 0.000 1.286 118 P CA -0.171 62.917 63.100 -0.019 0.000 0.772 118 P CB 1.163 32.848 31.700 -0.024 0.000 0.862 119 V N 3.795 123.738 119.914 0.047 0.000 2.278 119 V HA -0.281 3.839 4.120 0.000 0.000 0.251 119 V C 1.791 177.900 176.094 0.025 0.000 1.062 119 V CA 2.368 64.692 62.300 0.040 0.000 1.038 119 V CB -0.591 31.270 31.823 0.064 0.000 0.646 119 V HN 0.490 nan 8.190 nan 0.000 0.447 120 D N -0.194 120.230 120.400 0.040 0.000 2.084 120 D HA -0.074 4.566 4.640 0.000 0.000 0.194 120 D C 1.228 177.539 176.300 0.019 0.000 0.990 120 D CA 1.399 55.418 54.000 0.032 0.000 0.826 120 D CB -0.462 40.362 40.800 0.039 0.000 0.971 120 D HN 0.433 nan 8.370 nan 0.000 0.453 124 Q N 1.426 121.289 119.800 0.105 0.000 2.084 124 Q HA -0.089 4.251 4.340 0.000 0.000 0.202 124 Q C 2.098 178.117 176.000 0.031 0.000 0.978 124 Q CA 2.074 57.995 55.803 0.197 0.000 0.844 124 Q CB -0.230 28.643 28.738 0.225 0.000 0.898 124 Q HN 0.412 nan 8.270 nan 0.000 0.426 125 V N 0.922 120.705 119.914 -0.217 0.000 2.255 125 V HA -0.330 3.790 4.120 0.000 0.000 0.247 125 V C 2.349 178.291 176.094 -0.253 0.000 1.051 125 V CA 1.973 63.898 62.300 -0.625 0.000 1.018 125 V CB -1.193 30.201 31.823 -0.715 0.000 0.641 125 V HN 0.561 nan 8.190 nan 0.000 0.445 126 A N -1.075 121.765 122.820 0.034 0.000 1.972 126 A HA -0.262 4.058 4.320 0.000 0.000 0.219 126 A C 2.149 179.765 177.584 0.054 0.000 1.169 126 A CA 2.105 54.224 52.037 0.137 0.000 0.635 126 A CB -0.705 18.445 19.000 0.250 0.000 0.810 126 A HN 0.696 nan 8.150 nan 0.000 0.446 127 Y N 1.094 121.365 120.300 -0.049 0.000 2.133 127 Y HA -0.169 4.381 4.550 0.000 0.000 0.287 127 Y C 2.378 178.201 175.900 -0.128 0.000 1.134 127 Y CA 1.906 59.949 58.100 -0.095 0.000 1.133 127 Y CB -0.437 37.950 38.460 -0.122 0.000 0.987 127 Y HN 0.283 nan 8.280 nan 0.000 0.502 128 R N 0.194 120.400 120.500 -0.490 0.000 2.152 128 R HA -0.110 4.230 4.340 0.000 0.000 0.232 128 R C 2.210 178.365 176.300 -0.241 0.000 1.117 128 R CA 1.549 57.362 56.100 -0.479 0.000 0.981 128 R CB -0.682 29.574 30.300 -0.073 0.000 0.870 128 R HN 0.416 nan 8.270 nan 0.000 0.451 129 L N 0.928 122.067 121.223 -0.141 0.000 2.209 129 L HA -0.072 4.268 4.340 0.000 0.000 0.207 129 L C 2.654 179.462 176.870 -0.102 0.000 1.094 129 L CA 1.023 55.824 54.840 -0.065 0.000 0.790 129 L CB -0.323 41.725 42.059 -0.019 0.000 0.932 129 L HN 0.230 nan 8.230 nan 0.000 0.447 130 S N -0.104 115.522 115.700 -0.124 0.000 2.368 130 S HA -0.074 4.396 4.470 0.000 0.000 0.224 130 S C 1.670 176.202 174.600 -0.113 0.000 1.029 130 S CA 0.723 58.863 58.200 -0.100 0.000 0.988 130 S CB -0.676 62.491 63.200 -0.055 0.000 0.838 130 S HN 0.491 nan 8.310 nan 0.000 0.462 131 G N 1.115 109.807 108.800 -0.181 0.000 2.198 131 G HA2 -0.197 3.763 3.960 0.000 0.000 0.257 131 G HA3 -0.197 3.763 3.960 0.000 0.000 0.257 131 G C -0.214 174.634 174.900 -0.086 0.000 1.042 131 G CA 0.509 45.513 45.100 -0.160 0.000 0.791 131 G HN 0.569 nan 8.290 nan 0.000 0.502 132 L N 0.033 121.229 121.223 -0.046 0.000 2.286 132 L HA 0.631 4.971 4.340 0.000 0.000 0.265 132 L C -1.641 175.291 176.870 0.103 0.000 1.012 132 L CA -2.736 52.117 54.840 0.022 0.000 0.818 132 L CB 1.641 43.716 42.059 0.027 0.000 1.337 132 L HN -0.091 nan 8.230 nan 0.000 0.438 133 P HA 0.061 nan 4.420 nan 0.000 0.265 133 P C -2.320 175.046 177.300 0.110 0.000 1.193 133 P CA -0.989 62.169 63.100 0.097 0.000 0.765 133 P CB 0.200 31.931 31.700 0.053 0.000 0.823 134 P HA -0.223 nan 4.420 nan 0.000 0.219 134 P C 1.485 178.735 177.300 -0.083 0.000 1.151 134 P CA 2.268 65.259 63.100 -0.183 0.000 0.850 134 P CB -0.344 31.274 31.700 -0.137 0.000 0.784 135 G N -1.402 107.391 108.800 -0.012 0.000 2.880 135 G HA2 -0.116 3.844 3.960 0.000 0.000 0.209 135 G HA3 -0.116 3.844 3.960 0.000 0.000 0.209 135 G C 1.306 176.210 174.900 0.006 0.000 1.157 135 G CA -0.107 44.990 45.100 -0.005 0.000 0.779 135 G HN 0.266 nan 8.290 nan 0.000 0.539 136 R N -0.216 120.298 120.500 0.023 0.000 2.356 136 R HA 0.223 4.563 4.340 0.000 0.000 0.234 136 R C -0.582 175.733 176.300 0.026 0.000 0.929 136 R CA 0.015 56.128 56.100 0.021 0.000 1.084 136 R CB 0.628 30.942 30.300 0.024 0.000 1.105 136 R HN 0.166 nan 8.270 nan 0.000 0.515 137 V N 1.452 121.388 119.914 0.036 0.000 2.447 137 V HA 0.304 4.424 4.120 0.000 0.000 0.292 137 V C -0.493 175.618 176.094 0.030 0.000 1.021 137 V CA -0.747 61.581 62.300 0.047 0.000 0.850 137 V CB 2.048 33.936 31.823 0.108 0.000 1.005 137 V HN -0.200 nan 8.190 nan 0.000 0.426 138 V N 3.107 123.030 119.914 0.015 0.000 2.735 138 V HA 0.912 5.032 4.120 0.000 0.000 0.310 138 V C 0.514 176.610 176.094 0.004 0.000 1.061 138 V CA -0.458 61.842 62.300 0.000 0.000 0.913 138 V CB 2.144 33.953 31.823 -0.022 0.000 1.005 138 V HN 0.878 nan 8.190 nan 0.000 0.428 139 G N 0.749 109.549 108.800 0.000 0.000 2.448 139 G HA2 0.499 4.459 3.960 0.000 0.000 0.324 139 G HA3 0.499 4.459 3.960 0.000 0.000 0.324 139 G C 0.822 175.701 174.900 -0.035 0.000 1.203 139 G CA 0.202 45.302 45.100 0.000 0.000 0.954 139 G HN 0.881 nan 8.290 nan 0.000 0.480 140 S N 0.778 116.448 115.700 -0.051 0.000 2.402 140 S HA 0.018 4.488 4.470 0.000 0.000 0.233 140 S C 2.169 176.694 174.600 -0.124 0.000 1.030 140 S CA 1.359 59.505 58.200 -0.089 0.000 1.003 140 S CB -0.897 62.244 63.200 -0.099 0.000 0.813 140 S HN 2.328 nan 8.310 nan 0.000 0.477 141 G N 1.690 110.410 108.800 -0.134 0.000 2.629 141 G HA2 -0.413 3.547 3.960 0.000 0.000 0.313 141 G HA3 -0.413 3.547 3.960 0.000 0.000 0.313 141 G C 0.742 175.473 174.900 -0.281 0.000 1.217 141 G CA 1.877 46.894 45.100 -0.139 0.000 0.994 141 G HN 1.424 nan 8.290 nan 0.000 0.549 142 T N -0.227 114.247 114.554 -0.133 0.000 3.176 142 T HA 0.517 4.867 4.350 0.000 0.000 0.263 142 T C 2.278 176.959 174.700 -0.031 0.000 1.021 142 T CA 0.932 62.979 62.100 -0.088 0.000 0.905 142 T CB -0.336 68.548 68.868 0.027 0.000 1.057 142 T HN 1.203 nan 8.240 nan 0.000 0.558 143 I N -0.978 119.570 120.570 -0.037 0.000 2.151 143 I HA -0.149 4.021 4.170 0.000 0.000 0.243 143 I C 1.931 178.073 176.117 0.042 0.000 1.080 143 I CA 1.321 62.642 61.300 0.036 0.000 1.339 143 I CB -0.820 37.204 38.000 0.041 0.000 1.039 143 I HN 0.123 nan 8.210 nan 0.000 0.409 144 L N 1.371 122.597 121.223 0.004 0.000 2.083 144 L HA -0.172 4.168 4.340 0.000 0.000 0.209 144 L C 2.268 179.180 176.870 0.070 0.000 1.083 144 L CA 1.799 56.662 54.840 0.038 0.000 0.752 144 L CB -1.134 40.943 42.059 0.031 0.000 0.899 144 L HN 0.347 nan 8.230 nan 0.000 0.433 145 D N -1.475 118.970 120.400 0.076 0.000 2.103 145 D HA -0.115 4.525 4.640 0.000 0.000 0.199 145 D C 2.006 178.376 176.300 0.116 0.000 0.978 145 D CA 1.641 55.699 54.000 0.097 0.000 0.829 145 D CB -0.162 40.702 40.800 0.105 0.000 0.981 145 D HN 0.257 nan 8.370 nan 0.000 0.464 146 T N 1.410 116.037 114.554 0.121 0.000 2.665 146 T HA -0.187 4.163 4.350 0.000 0.000 0.268 146 T C 2.049 176.839 174.700 0.150 0.000 1.035 146 T CA 1.770 63.975 62.100 0.175 0.000 1.151 146 T CB -0.294 68.678 68.868 0.174 0.000 0.862 146 T HN 0.203 nan 8.240 nan 0.000 0.438 147 A N 1.289 124.172 122.820 0.106 0.000 1.933 147 A HA -0.070 4.250 4.320 0.000 0.000 0.218 147 A C 2.265 179.897 177.584 0.080 0.000 1.175 147 A CA 1.797 53.879 52.037 0.075 0.000 0.628 147 A CB -0.479 18.563 19.000 0.069 0.000 0.814 147 A HN 0.290 nan 8.150 nan 0.000 0.444 148 R N -1.097 119.466 120.500 0.104 0.000 2.075 148 R HA -0.067 4.273 4.340 0.000 0.000 0.232 148 R C 1.732 178.125 176.300 0.155 0.000 1.126 148 R CA 1.443 57.608 56.100 0.108 0.000 0.963 148 R CB -0.969 29.393 30.300 0.103 0.000 0.858 148 R HN 0.441 nan 8.270 nan 0.000 0.435 149 F N 1.354 121.282 119.950 -0.037 0.000 2.095 149 F HA -0.151 4.376 4.527 0.000 0.000 0.298 149 F C 1.780 177.519 175.800 -0.102 0.000 1.104 149 F CA 1.777 59.718 58.000 -0.098 0.000 1.232 149 F CB -0.410 38.507 39.000 -0.139 0.000 0.987 149 F HN -0.007 nan 8.300 nan 0.000 0.475 150 R N -0.041 120.402 120.500 -0.096 0.000 2.092 150 R HA -0.061 4.279 4.340 0.000 0.000 0.231 150 R C 2.411 178.653 176.300 -0.096 0.000 1.119 150 R CA 1.147 57.126 56.100 -0.202 0.000 0.970 150 R CB -0.863 29.356 30.300 -0.134 0.000 0.864 150 R HN 0.345 nan 8.270 nan 0.000 0.440 151 A N 1.476 124.286 122.820 -0.017 0.000 1.877 151 A HA -0.127 4.193 4.320 0.000 0.000 0.216 151 A C 2.190 179.790 177.584 0.026 0.000 1.186 151 A CA 1.150 53.194 52.037 0.011 0.000 0.620 151 A CB -0.524 18.497 19.000 0.035 0.000 0.822 151 A HN 0.174 nan 8.150 nan 0.000 0.443 152 L N -0.755 120.497 121.223 0.048 0.000 2.093 152 L HA -0.140 4.200 4.340 0.000 0.000 0.208 152 L C 2.587 179.506 176.870 0.083 0.000 1.085 152 L CA 0.863 55.751 54.840 0.081 0.000 0.755 152 L CB -0.427 41.706 42.059 0.123 0.000 0.904 152 L HN 0.390 nan 8.230 nan 0.000 0.435 153 L N -0.570 120.650 121.223 -0.004 0.000 2.017 153 L HA -0.205 4.135 4.340 0.000 0.000 0.208 153 L C 2.890 179.795 176.870 0.059 0.000 1.073 153 L CA 1.245 56.086 54.840 0.002 0.000 0.745 153 L CB -0.742 41.176 42.059 -0.234 0.000 0.894 153 L HN 0.236 nan 8.230 nan 0.000 0.432 154 A N -0.275 122.544 122.820 -0.003 0.000 1.908 154 A HA -0.295 4.025 4.320 0.000 0.000 0.218 154 A C 2.243 179.853 177.584 0.044 0.000 1.181 154 A CA 2.090 54.131 52.037 0.007 0.000 0.627 154 A CB -0.604 18.386 19.000 -0.018 0.000 0.818 154 A HN 0.491 nan 8.150 nan 0.000 0.445 155 E N -1.686 118.555 120.200 0.068 0.000 2.058 155 E HA -0.249 4.101 4.350 0.000 0.000 0.194 155 E C 1.891 178.572 176.600 0.135 0.000 0.997 155 E CA 1.590 58.043 56.400 0.087 0.000 0.801 155 E CB -0.325 29.431 29.700 0.093 0.000 0.746 155 E HN 0.716 nan 8.360 nan 0.000 0.450 156 Y N 0.970 121.292 120.300 0.038 0.000 2.200 156 Y HA -0.121 4.429 4.550 0.000 0.000 0.290 156 Y C 1.760 177.686 175.900 0.043 0.000 1.137 156 Y CA 1.430 59.559 58.100 0.047 0.000 1.163 156 Y CB -0.199 38.303 38.460 0.070 0.000 0.988 156 Y HN 0.028 nan 8.280 nan 0.000 0.518 157 L N 0.082 121.251 121.223 -0.091 0.000 2.478 157 L HA 0.019 4.359 4.340 0.000 0.000 0.223 157 L C 0.539 177.363 176.870 -0.077 0.000 1.140 157 L CA 0.700 55.444 54.840 -0.160 0.000 0.842 157 L CB -0.331 41.750 42.059 0.036 0.000 0.953 157 L HN 0.088 nan 8.230 nan 0.000 0.452 158 R N -0.159 120.323 120.500 -0.030 0.000 3.261 158 R HA -0.115 4.225 4.340 0.000 0.000 0.257 158 R C -0.685 175.618 176.300 0.006 0.000 1.014 158 R CA 0.565 56.657 56.100 -0.012 0.000 0.681 158 R CB -2.322 27.958 30.300 -0.033 0.000 1.155 158 R HN 0.338 nan 8.270 nan 0.000 0.424 159 V N -4.152 115.770 119.914 0.013 0.000 3.130 159 V HA 0.936 5.057 4.120 0.000 0.000 0.310 159 V C 0.156 176.242 176.094 -0.013 0.000 1.158 159 V CA -0.676 61.628 62.300 0.007 0.000 1.029 159 V CB 2.230 34.064 31.823 0.018 0.000 1.057 159 V HN 0.280 nan 8.190 nan 0.000 0.436 160 A N 2.122 124.925 122.820 -0.028 0.000 2.440 160 A HA 0.616 4.936 4.320 0.000 0.000 0.251 160 A C -1.458 176.097 177.584 -0.047 0.000 1.089 160 A CA -0.958 51.060 52.037 -0.032 0.000 0.779 160 A CB -0.079 18.901 19.000 -0.034 0.000 1.022 160 A HN 0.848 nan 8.150 nan 0.000 0.492 161 P HA -0.147 nan 4.420 nan 0.000 0.223 161 P C 0.872 178.142 177.300 -0.050 0.000 1.144 161 P CA 1.114 64.187 63.100 -0.044 0.000 0.783 161 P CB 0.246 31.932 31.700 -0.023 0.000 0.771 162 Q N -1.511 118.260 119.800 -0.048 0.000 2.311 162 Q HA 0.010 4.350 4.340 0.000 0.000 0.203 162 Q C 1.997 177.938 176.000 -0.098 0.000 0.954 162 Q CA 1.196 56.972 55.803 -0.046 0.000 0.885 162 Q CB -0.896 27.818 28.738 -0.040 0.000 0.963 162 Q HN 0.195 nan 8.270 nan 0.000 0.471 163 S N -0.690 114.929 115.700 -0.135 0.000 2.470 163 S HA 0.053 4.523 4.470 0.000 0.000 0.225 163 S C 0.560 174.998 174.600 -0.269 0.000 1.006 163 S CA 0.026 58.093 58.200 -0.220 0.000 0.934 163 S CB 0.335 63.413 63.200 -0.204 0.000 0.778 163 S HN 0.065 nan 8.310 nan 0.000 0.517 164 V N 2.706 122.508 119.914 -0.187 0.000 2.385 164 V HA 0.204 4.324 4.120 0.000 0.000 0.269 164 V C -0.021 176.008 176.094 -0.109 0.000 1.043 164 V CA -0.275 61.909 62.300 -0.194 0.000 0.906 164 V CB 0.356 32.060 31.823 -0.199 0.000 0.995 164 V HN 0.440 nan 8.190 nan 0.000 0.467 165 H N 3.464 122.346 119.070 -0.312 0.000 2.452 165 H HA 0.551 5.107 4.556 0.000 0.000 0.240 165 H C 0.519 175.504 175.328 -0.572 0.000 1.498 165 H CA -0.340 55.465 56.048 -0.405 0.000 1.142 165 H CB 0.763 30.322 29.762 -0.338 0.000 1.599 165 H HN 0.798 nan 8.280 nan 0.000 0.527 166 A N 1.070 123.632 122.820 -0.429 0.000 2.279 166 A HA 0.512 4.832 4.320 0.000 0.000 0.303 166 A C -1.156 176.225 177.584 -0.337 0.000 1.108 166 A CA -0.227 51.542 52.037 -0.448 0.000 0.830 166 A CB 0.662 19.218 19.000 -0.741 0.000 1.106 166 A HN 0.374 nan 8.150 nan 0.000 0.493 167 Y N -1.013 119.365 120.300 0.131 0.000 2.662 167 Y HA 0.641 5.191 4.550 0.000 0.000 0.335 167 Y C -0.235 175.774 175.900 0.181 0.000 1.066 167 Y CA -1.171 57.008 58.100 0.132 0.000 1.116 167 Y CB 2.167 40.653 38.460 0.043 0.000 1.308 167 Y HN 0.384 nan 8.280 nan 0.000 0.502 168 V N 2.956 123.025 119.914 0.258 0.000 2.610 168 V HA 0.472 4.592 4.120 0.000 0.000 0.298 168 V C -0.877 175.245 176.094 0.047 0.000 1.067 168 V CA -0.726 61.609 62.300 0.059 0.000 0.894 168 V CB 1.502 33.333 31.823 0.012 0.000 1.015 168 V HN 0.541 nan 8.190 nan 0.000 0.432 169 L N 3.459 124.691 121.223 0.016 0.000 2.256 169 L HA 1.051 5.391 4.340 0.000 0.000 0.261 169 L C 1.004 177.872 176.870 -0.002 0.000 1.022 169 L CA -0.069 54.762 54.840 -0.014 0.000 0.828 169 L CB 1.794 43.828 42.059 -0.042 0.000 1.374 169 L HN 0.860 nan 8.230 nan 0.000 0.436 170 G N 0.540 109.333 108.800 -0.013 0.000 2.488 170 G HA2 -0.226 3.735 3.960 0.000 0.000 0.237 170 G HA3 -0.226 3.735 3.960 0.000 0.000 0.237 170 G C -0.417 174.496 174.900 0.022 0.000 1.209 170 G CA 0.060 45.161 45.100 0.001 0.000 0.929 170 G HN 0.846 nan 8.290 nan 0.000 0.578 171 E N 0.970 121.190 120.200 0.033 0.000 2.290 171 E HA 0.210 4.560 4.350 0.000 0.000 0.277 171 E C 0.268 176.925 176.600 0.095 0.000 1.035 171 E CA -0.404 56.028 56.400 0.054 0.000 0.873 171 E CB 0.094 29.815 29.700 0.035 0.000 1.029 171 E HN 0.605 nan 8.360 nan 0.000 0.419 172 H N 4.332 123.402 119.070 0.001 0.000 3.145 172 H HA 0.247 4.803 4.556 0.000 0.000 0.263 172 H C 0.072 175.408 175.328 0.012 0.000 1.057 172 H CA 0.740 56.791 56.048 0.006 0.000 1.477 172 H CB -0.028 29.735 29.762 0.001 0.000 1.529 172 H HN 0.778 nan 8.280 nan 0.000 0.508 173 G N 4.332 113.043 108.800 -0.150 0.000 2.470 173 G HA2 -0.210 3.750 3.960 0.000 0.000 0.145 173 G HA3 -0.210 3.750 3.960 0.000 0.000 0.145 173 G C -0.138 174.763 174.900 0.001 0.000 1.223 173 G CA -0.004 45.004 45.100 -0.154 0.000 1.058 173 G HN 0.481 nan 8.290 nan 0.000 0.469 174 D N 0.253 120.678 120.400 0.042 0.000 2.271 174 D HA 0.191 4.831 4.640 0.000 0.000 0.206 174 D C 2.249 178.563 176.300 0.023 0.000 0.967 174 D CA 1.205 55.236 54.000 0.052 0.000 0.867 174 D CB 0.207 41.050 40.800 0.071 0.000 0.960 174 D HN 0.185 nan 8.370 nan 0.000 0.509 175 S N 0.498 116.210 115.700 0.020 0.000 2.803 175 S HA -0.023 4.447 4.470 0.000 0.000 0.226 175 S C 0.529 175.139 174.600 0.018 0.000 0.962 175 S CA 0.043 58.254 58.200 0.018 0.000 0.968 175 S CB -0.371 62.840 63.200 0.019 0.000 0.786 175 S HN 0.272 nan 8.310 nan 0.000 0.527 176 E N 1.233 121.443 120.200 0.017 0.000 2.415 176 E HA 0.107 4.457 4.350 0.000 0.000 0.262 176 E C -0.897 175.702 176.600 -0.002 0.000 1.038 176 E CA 0.131 56.538 56.400 0.012 0.000 0.921 176 E CB 0.553 30.257 29.700 0.006 0.000 0.950 176 E HN -0.011 nan 8.360 nan 0.000 0.438 177 V N 5.903 125.811 119.914 -0.009 0.000 2.357 177 V HA 0.189 4.309 4.120 0.000 0.000 0.281 177 V C -0.328 175.736 176.094 -0.050 0.000 1.015 177 V CA -0.654 61.645 62.300 -0.003 0.000 0.827 177 V CB 0.795 32.632 31.823 0.024 0.000 1.018 177 V HN 0.566 nan 8.190 nan 0.000 0.432 178 L N 4.818 125.970 121.223 -0.119 0.000 2.369 178 L HA 0.331 4.671 4.340 0.000 0.000 0.279 178 L C 0.098 176.949 176.870 -0.032 0.000 1.108 178 L CA -0.335 54.283 54.840 -0.370 0.000 0.852 178 L CB 1.199 42.810 42.059 -0.747 0.000 1.169 178 L HN 0.379 nan 8.230 nan 0.000 0.452 179 V N 3.736 123.698 119.914 0.080 0.000 2.276 179 V HA 0.007 4.127 4.120 0.000 0.000 0.249 179 V C 0.408 176.682 176.094 0.301 0.000 1.160 179 V CA -0.080 62.356 62.300 0.227 0.000 1.042 179 V CB -0.171 31.793 31.823 0.236 0.000 1.224 179 V HN 0.777 nan 8.190 nan 0.000 0.496 180 W N 1.885 123.332 121.300 0.245 0.000 2.584 180 W HA -0.074 4.587 4.660 0.000 0.000 0.264 180 W C 2.568 179.175 176.519 0.146 0.000 1.264 180 W CA 0.893 58.381 57.345 0.239 0.000 1.306 180 W CB -0.318 29.262 29.460 0.200 0.000 1.110 180 W HN 0.675 nan 8.180 nan 0.000 0.606 181 S N 0.277 116.184 115.700 0.345 0.000 2.344 181 S HA -0.195 4.275 4.470 0.000 0.000 0.217 181 S C 1.812 176.516 174.600 0.173 0.000 1.033 181 S CA 1.599 59.932 58.200 0.222 0.000 1.017 181 S CB -1.291 62.011 63.200 0.171 0.000 0.941 181 S HN 0.152 nan 8.310 nan 0.000 0.430 182 S N 2.012 117.808 115.700 0.160 0.000 2.650 182 S HA 0.562 5.032 4.470 0.000 0.000 0.219 182 S C 0.697 175.345 174.600 0.080 0.000 0.960 182 S CA -0.016 58.257 58.200 0.122 0.000 0.925 182 S CB -0.762 62.521 63.200 0.139 0.000 0.775 182 S HN 0.823 nan 8.310 nan 0.000 0.525 183 A N 1.555 124.422 122.820 0.078 0.000 2.524 183 A HA 0.369 4.689 4.320 0.000 0.000 0.250 183 A C 0.280 177.840 177.584 -0.039 0.000 1.078 183 A CA 0.016 52.036 52.037 -0.028 0.000 0.761 183 A CB 0.078 19.042 19.000 -0.059 0.000 1.012 183 A HN 0.599 nan 8.150 nan 0.000 0.500 184 Q N 0.532 120.270 119.800 -0.102 0.000 2.397 184 Q HA 0.586 4.926 4.340 0.000 0.000 0.275 184 Q C -1.317 174.556 176.000 -0.211 0.000 1.090 184 Q CA -0.774 54.957 55.803 -0.120 0.000 0.809 184 Q CB 2.782 31.459 28.738 -0.101 0.000 1.362 184 Q HN 0.656 nan 8.270 nan 0.000 0.431 185 V N 1.018 120.758 119.914 -0.290 0.000 2.357 185 V HA 0.635 4.755 4.120 0.000 0.000 0.281 185 V C 0.222 175.985 176.094 -0.553 0.000 1.015 185 V CA 0.655 62.691 62.300 -0.440 0.000 0.827 185 V CB 0.583 32.076 31.823 -0.550 0.000 1.018 185 V HN 0.970 nan 8.190 nan 0.000 0.432 186 G N 4.623 113.161 108.800 -0.437 0.000 2.256 186 G HA2 0.064 4.025 3.960 0.000 0.000 0.272 186 G HA3 0.064 4.025 3.960 0.000 0.000 0.272 186 G C 1.392 176.119 174.900 -0.290 0.000 1.076 186 G CA 0.815 45.694 45.100 -0.369 0.000 0.882 186 G HN 2.490 nan 8.290 nan 0.000 0.497 187 G N -2.820 105.819 108.800 -0.268 0.000 2.377 187 G HA2 -0.154 3.806 3.960 0.000 0.000 0.250 187 G HA3 -0.154 3.806 3.960 0.000 0.000 0.250 187 G C 0.739 175.564 174.900 -0.126 0.000 1.039 187 G CA 0.772 45.771 45.100 -0.169 0.000 0.625 187 G HN 1.727 nan 8.290 nan 0.000 0.526 188 V N 2.866 122.683 119.914 -0.161 0.000 2.607 188 V HA 0.447 4.567 4.120 0.000 0.000 0.289 188 V C -1.597 174.464 176.094 -0.055 0.000 1.053 188 V CA -1.364 60.886 62.300 -0.084 0.000 0.996 188 V CB 1.476 33.264 31.823 -0.057 0.000 0.995 188 V HN 0.103 nan 8.190 nan 0.000 0.476 189 P HA -0.013 nan 4.420 nan 0.000 0.262 189 P C 0.564 177.928 177.300 0.107 0.000 1.182 189 P CA 0.052 63.185 63.100 0.055 0.000 0.761 189 P CB 0.538 32.282 31.700 0.073 0.000 0.795 190 L N 5.764 127.045 121.223 0.096 0.000 1.970 190 L HA -0.209 4.131 4.340 0.000 0.000 0.212 190 L C 1.871 178.876 176.870 0.225 0.000 1.071 190 L CA 1.979 56.913 54.840 0.157 0.000 0.751 190 L CB -1.264 40.859 42.059 0.106 0.000 0.889 190 L HN 0.341 nan 8.230 nan 0.000 0.432 191 L N -0.413 120.928 121.223 0.197 0.000 2.043 191 L HA -0.255 4.085 4.340 0.000 0.000 0.212 191 L C 2.662 179.611 176.870 0.131 0.000 1.075 191 L CA 2.024 56.969 54.840 0.176 0.000 0.752 191 L CB -0.898 41.251 42.059 0.150 0.000 0.891 191 L HN 0.561 nan 8.230 nan 0.000 0.432 192 E N 0.022 120.298 120.200 0.126 0.000 2.028 192 E HA -0.273 4.077 4.350 0.000 0.000 0.190 192 E C 2.210 178.863 176.600 0.088 0.000 0.984 192 E CA 1.096 57.551 56.400 0.092 0.000 0.800 192 E CB -0.857 28.897 29.700 0.091 0.000 0.758 192 E HN 0.307 nan 8.360 nan 0.000 0.448 193 F N 2.250 122.205 119.950 0.009 0.000 2.147 193 F HA -0.233 4.295 4.527 0.000 0.000 0.301 193 F C 2.198 177.989 175.800 -0.014 0.000 1.084 193 F CA 1.857 59.852 58.000 -0.009 0.000 1.268 193 F CB -0.417 38.571 39.000 -0.020 0.000 1.009 193 F HN 0.144 nan 8.300 nan 0.000 0.486 194 A N -0.307 122.442 122.820 -0.118 0.000 1.968 194 A HA -0.123 4.197 4.320 0.000 0.000 0.217 194 A C 1.969 179.434 177.584 -0.198 0.000 1.169 194 A CA 1.266 53.170 52.037 -0.221 0.000 0.638 194 A CB -0.842 18.188 19.000 0.050 0.000 0.812 194 A HN 0.437 nan 8.150 nan 0.000 0.446 195 E N 0.116 120.257 120.200 -0.099 0.000 2.253 195 E HA -0.096 4.254 4.350 0.000 0.000 0.202 195 E C 0.744 177.271 176.600 -0.121 0.000 1.014 195 E CA 1.204 57.562 56.400 -0.070 0.000 0.823 195 E CB -0.255 29.425 29.700 -0.034 0.000 0.736 195 E HN 0.641 nan 8.360 nan 0.000 0.478 200 A N 2.278 125.137 122.820 0.065 0.000 2.365 200 A HA 0.597 4.917 4.320 0.000 0.000 0.318 200 A C -0.888 176.870 177.584 0.290 0.000 1.091 200 A CA -0.734 51.371 52.037 0.113 0.000 0.763 200 A CB 1.087 20.117 19.000 0.049 0.000 1.248 200 A HN 0.601 nan 8.150 nan 0.000 0.442 201 L N 2.235 123.647 121.223 0.316 0.000 2.628 201 L HA 0.053 4.393 4.340 0.000 0.000 0.274 201 L C 0.568 177.485 176.870 0.078 0.000 1.209 201 L CA 0.367 55.368 54.840 0.269 0.000 0.930 201 L CB 0.516 42.722 42.059 0.244 0.000 1.183 201 L HN 0.760 nan 8.230 nan 0.000 0.492 202 S N 5.103 120.794 115.700 -0.015 0.000 2.690 202 S HA 0.371 4.841 4.470 0.000 0.000 0.291 202 S C -1.387 173.152 174.600 -0.102 0.000 1.138 202 S CA -1.205 56.967 58.200 -0.046 0.000 1.013 202 S CB 1.747 64.921 63.200 -0.044 0.000 1.053 202 S HN 0.475 nan 8.310 nan 0.000 0.539 203 P HA -0.129 nan 4.420 nan 0.000 0.215 203 P C 0.568 177.794 177.300 -0.123 0.000 1.153 203 P CA 1.395 64.423 63.100 -0.121 0.000 0.853 203 P CB 0.140 31.788 31.700 -0.087 0.000 0.788 204 E N -0.836 119.309 120.200 -0.091 0.000 2.299 204 E HA -0.084 4.266 4.350 0.000 0.000 0.193 204 E C 1.617 178.166 176.600 -0.084 0.000 0.998 204 E CA 0.364 56.719 56.400 -0.076 0.000 0.851 204 E CB -0.314 29.353 29.700 -0.055 0.000 0.795 204 E HN 0.245 nan 8.360 nan 0.000 0.492 205 D N 1.101 121.428 120.400 -0.121 0.000 2.117 205 D HA -0.100 4.540 4.640 0.000 0.000 0.198 205 D C 1.886 178.149 176.300 -0.061 0.000 0.982 205 D CA 0.909 54.810 54.000 -0.165 0.000 0.828 205 D CB -0.054 40.544 40.800 -0.337 0.000 0.967 205 D HN 0.118 nan 8.370 nan 0.000 0.464 206 R N 0.817 121.252 120.500 -0.109 0.000 2.096 206 R HA -0.022 4.318 4.340 0.000 0.000 0.235 206 R C 2.262 178.584 176.300 0.036 0.000 1.127 206 R CA 1.248 57.257 56.100 -0.151 0.000 0.968 206 R CB -0.219 29.629 30.300 -0.753 0.000 0.861 206 R HN 0.078 nan 8.270 nan 0.000 0.440 207 A N 1.076 123.870 122.820 -0.042 0.000 1.968 207 A HA -0.113 4.207 4.320 0.000 0.000 0.217 207 A C 2.133 179.739 177.584 0.037 0.000 1.169 207 A CA 0.933 52.969 52.037 -0.003 0.000 0.638 207 A CB -0.345 18.629 19.000 -0.043 0.000 0.812 207 A HN 0.203 nan 8.150 nan 0.000 0.446 208 R N -0.200 120.316 120.500 0.027 0.000 2.075 208 R HA -0.027 4.313 4.340 0.000 0.000 0.232 208 R C 1.845 178.190 176.300 0.076 0.000 1.126 208 R CA 1.609 57.727 56.100 0.030 0.000 0.963 208 R CB -0.331 29.968 30.300 -0.002 0.000 0.858 208 R HN 0.532 nan 8.270 nan 0.000 0.435 209 I N 0.635 121.291 120.570 0.143 0.000 2.252 209 I HA -0.237 3.933 4.170 0.000 0.000 0.245 209 I C 1.939 178.176 176.117 0.200 0.000 1.102 209 I CA 1.558 62.982 61.300 0.207 0.000 1.385 209 I CB -0.371 37.840 38.000 0.352 0.000 1.064 209 I HN 0.287 nan 8.210 nan 0.000 0.414 210 D N 0.825 121.369 120.400 0.241 0.000 2.149 210 D HA -0.287 4.353 4.640 0.000 0.000 0.198 210 D C 2.119 178.454 176.300 0.058 0.000 0.990 210 D CA 1.376 55.468 54.000 0.153 0.000 0.839 210 D CB 0.090 40.995 40.800 0.176 0.000 0.948 210 D HN 0.330 nan 8.370 nan 0.000 0.460 211 E N -1.005 119.226 120.200 0.051 0.000 2.158 211 E HA -0.051 4.299 4.350 0.000 0.000 0.191 211 E C 2.134 178.752 176.600 0.029 0.000 0.982 211 E CA 0.871 57.281 56.400 0.015 0.000 0.823 211 E CB -0.263 29.438 29.700 0.001 0.000 0.766 211 E HN 0.358 nan 8.360 nan 0.000 0.468 212 G N 0.327 109.158 108.800 0.052 0.000 2.432 212 G HA2 -0.190 3.771 3.960 0.000 0.000 0.219 212 G HA3 -0.190 3.771 3.960 0.000 0.000 0.219 212 G C 1.520 176.459 174.900 0.065 0.000 1.135 212 G CA 0.912 46.048 45.100 0.060 0.000 0.767 212 G HN 0.213 nan 8.290 nan 0.000 0.550 213 V N -0.042 119.907 119.914 0.058 0.000 2.426 213 V HA 0.062 4.182 4.120 0.000 0.000 0.242 213 V C 2.633 178.752 176.094 0.041 0.000 1.036 213 V CA 1.546 63.874 62.300 0.046 0.000 1.044 213 V CB -0.286 31.530 31.823 -0.011 0.000 0.688 213 V HN 0.326 nan 8.190 nan 0.000 0.462 214 R N 0.055 120.567 120.500 0.020 0.000 2.073 214 R HA -0.043 4.297 4.340 0.000 0.000 0.229 214 R C 2.192 178.535 176.300 0.071 0.000 1.120 214 R CA 1.005 57.120 56.100 0.026 0.000 0.967 214 R CB 0.066 30.355 30.300 -0.018 0.000 0.862 214 R HN 0.263 nan 8.270 nan 0.000 0.436 215 R N -0.104 120.419 120.500 0.038 0.000 2.334 215 R HA 0.191 4.531 4.340 0.000 0.000 0.216 215 R C 1.732 178.152 176.300 0.200 0.000 0.905 215 R CA 0.608 56.751 56.100 0.071 0.000 1.064 215 R CB 0.147 30.395 30.300 -0.086 0.000 1.046 215 R HN 0.225 nan 8.270 nan 0.000 0.508 216 A N 1.812 124.715 122.820 0.139 0.000 1.915 216 A HA -0.270 4.050 4.320 0.000 0.000 0.220 216 A C 2.351 180.007 177.584 0.119 0.000 1.198 216 A CA 2.353 54.458 52.037 0.113 0.000 0.647 216 A CB -0.596 18.460 19.000 0.094 0.000 0.825 216 A HN 0.337 nan 8.150 nan 0.000 0.456 217 A N -1.423 121.477 122.820 0.133 0.000 1.858 217 A HA -0.053 4.267 4.320 0.000 0.000 0.216 217 A C 2.051 179.643 177.584 0.015 0.000 1.190 217 A CA 1.676 53.731 52.037 0.031 0.000 0.617 217 A CB -0.988 17.964 19.000 -0.080 0.000 0.827 217 A HN 0.603 nan 8.150 nan 0.000 0.443 218 Y N 0.099 120.391 120.300 -0.014 0.000 2.102 218 Y HA -0.288 4.262 4.550 0.000 0.000 0.280 218 Y C 2.664 178.562 175.900 -0.003 0.000 1.178 218 Y CA 2.044 60.138 58.100 -0.011 0.000 1.146 218 Y CB -0.548 37.905 38.460 -0.012 0.000 0.968 218 Y HN 0.236 nan 8.280 nan 0.000 0.504 219 R N -0.197 120.411 120.500 0.180 0.000 2.096 219 R HA -0.143 4.197 4.340 0.000 0.000 0.235 219 R C 2.221 178.556 176.300 0.059 0.000 1.127 219 R CA 1.764 57.923 56.100 0.098 0.000 0.968 219 R CB -0.557 29.790 30.300 0.078 0.000 0.861 219 R HN 0.397 nan 8.270 nan 0.000 0.440 220 I N 0.568 121.165 120.570 0.044 0.000 2.286 220 I HA -0.238 3.932 4.170 0.000 0.000 0.245 220 I C 2.122 178.239 176.117 0.000 0.000 1.104 220 I CA 0.887 62.194 61.300 0.012 0.000 1.397 220 I CB -0.168 37.828 38.000 -0.008 0.000 1.072 220 I HN 0.092 nan 8.210 nan 0.000 0.417 221 I N 0.657 121.222 120.570 -0.008 0.000 2.361 221 I HA -0.239 3.931 4.170 0.000 0.000 0.251 221 I C 2.461 178.582 176.117 0.007 0.000 1.133 221 I CA 1.443 62.734 61.300 -0.015 0.000 1.413 221 I CB -1.077 36.891 38.000 -0.053 0.000 1.073 221 I HN 0.273 nan 8.210 nan 0.000 0.424 222 E N 1.117 121.331 120.200 0.023 0.000 2.107 222 E HA -0.079 4.271 4.350 0.000 0.000 0.191 222 E C 2.083 178.700 176.600 0.028 0.000 0.982 222 E CA 1.283 57.701 56.400 0.030 0.000 0.809 222 E CB -0.350 29.377 29.700 0.045 0.000 0.756 222 E HN 0.365 nan 8.360 nan 0.000 0.459 223 G N -0.769 108.047 108.800 0.028 0.000 3.088 223 G HA2 0.009 3.969 3.960 0.000 0.000 0.217 223 G HA3 0.009 3.969 3.960 0.000 0.000 0.217 223 G C 1.362 176.280 174.900 0.030 0.000 1.159 223 G CA 0.231 45.348 45.100 0.028 0.000 0.760 223 G HN 0.168 nan 8.290 nan 0.000 0.550 224 K N -1.676 118.740 120.400 0.027 0.000 2.603 224 K HA 0.316 4.636 4.320 0.000 0.000 0.205 224 K C 1.568 178.195 176.600 0.045 0.000 1.500 224 K CA 0.863 57.172 56.287 0.036 0.000 1.059 224 K CB 0.516 33.025 32.500 0.015 0.000 1.416 224 K HN 0.242 nan 8.250 nan 0.000 0.562 225 G N 0.470 109.288 108.800 0.030 0.000 2.213 225 G HA2 -0.147 3.813 3.960 0.000 0.000 0.236 225 G HA3 -0.147 3.813 3.960 0.000 0.000 0.236 225 G C 0.010 174.932 174.900 0.037 0.000 0.991 225 G CA 0.125 45.244 45.100 0.031 0.000 0.629 225 G HN 0.757 nan 8.290 nan 0.000 0.517 226 A N -1.358 121.492 122.820 0.050 0.000 2.590 226 A HA 0.869 5.189 4.320 0.000 0.000 0.294 226 A C -0.277 177.305 177.584 -0.003 0.000 1.046 226 A CA 0.754 52.833 52.037 0.070 0.000 0.684 226 A CB 0.480 19.573 19.000 0.156 0.000 1.279 226 A HN 1.892 nan 8.150 nan 0.000 0.415 227 T N -0.955 113.589 114.554 -0.017 0.000 2.855 227 T HA 0.727 5.077 4.350 0.000 0.000 0.281 227 T C -0.001 174.662 174.700 -0.061 0.000 1.007 227 T CA 0.324 62.327 62.100 -0.162 0.000 1.009 227 T CB 1.002 69.832 68.868 -0.063 0.000 0.983 227 T HN 1.687 nan 8.240 nan 0.000 0.455 228 Y N -1.249 118.982 120.300 -0.114 0.000 2.473 228 Y HA 0.268 4.818 4.550 0.000 0.000 0.291 228 Y C 1.403 177.262 175.900 -0.068 0.000 1.042 228 Y CA -0.812 57.206 58.100 -0.136 0.000 0.996 228 Y CB -0.424 37.896 38.460 -0.233 0.000 1.385 228 Y HN 0.481 nan 8.280 nan 0.000 0.578 229 Y N 2.373 122.617 120.300 -0.093 0.000 2.114 229 Y HA 0.037 4.587 4.550 0.000 0.000 0.284 229 Y C 2.698 178.613 175.900 0.025 0.000 1.143 229 Y CA 1.708 59.821 58.100 0.022 0.000 1.135 229 Y CB -1.033 37.397 38.460 -0.051 0.000 0.980 229 Y HN 0.325 nan 8.280 nan 0.000 0.499 230 G N -0.143 108.750 108.800 0.155 0.000 2.459 230 G HA2 -0.284 3.676 3.960 0.000 0.000 0.217 230 G HA3 -0.284 3.676 3.960 0.000 0.000 0.217 230 G C 1.732 176.680 174.900 0.079 0.000 1.183 230 G CA 1.159 46.318 45.100 0.098 0.000 0.776 230 G HN 0.383 nan 8.290 nan 0.000 0.552 231 I N 1.933 122.543 120.570 0.066 0.000 2.361 231 I HA 0.023 4.193 4.170 0.000 0.000 0.251 231 I C 2.663 178.814 176.117 0.056 0.000 1.133 231 I CA 1.510 62.837 61.300 0.045 0.000 1.413 231 I CB -0.710 37.315 38.000 0.042 0.000 1.073 231 I HN 0.092 nan 8.210 nan 0.000 0.424 232 G N 0.022 108.883 108.800 0.100 0.000 2.446 232 G HA2 -0.264 3.696 3.960 0.000 0.000 0.217 232 G HA3 -0.264 3.696 3.960 0.000 0.000 0.217 232 G C 1.715 176.663 174.900 0.081 0.000 1.168 232 G CA 0.843 46.008 45.100 0.109 0.000 0.771 232 G HN 0.605 nan 8.290 nan 0.000 0.551 233 A N 0.725 123.597 122.820 0.087 0.000 1.897 233 A HA 0.257 4.577 4.320 0.000 0.000 0.215 233 A C 2.725 180.322 177.584 0.021 0.000 1.181 233 A CA 1.867 53.934 52.037 0.051 0.000 0.620 233 A CB -1.030 18.003 19.000 0.056 0.000 0.821 233 A HN 0.532 nan 8.150 nan 0.000 0.443 234 G N -0.352 108.461 108.800 0.021 0.000 2.450 234 G HA2 -0.143 3.817 3.960 0.000 0.000 0.220 234 G HA3 -0.143 3.817 3.960 0.000 0.000 0.220 234 G C 1.379 176.252 174.900 -0.045 0.000 1.130 234 G CA 1.220 46.318 45.100 -0.004 0.000 0.760 234 G HN 0.345 nan 8.290 nan 0.000 0.557 235 L N 1.039 122.245 121.223 -0.029 0.000 2.109 235 L HA 0.242 4.582 4.340 0.000 0.000 0.207 235 L C 3.150 179.986 176.870 -0.057 0.000 1.086 235 L CA 1.487 56.299 54.840 -0.047 0.000 0.760 235 L CB -0.877 41.170 42.059 -0.020 0.000 0.910 235 L HN 0.271 nan 8.230 nan 0.000 0.437 236 A N -0.933 121.867 122.820 -0.033 0.000 1.969 236 A HA -0.223 4.097 4.320 0.000 0.000 0.218 236 A C 2.435 179.982 177.584 -0.061 0.000 1.169 236 A CA 1.575 53.590 52.037 -0.037 0.000 0.635 236 A CB -0.408 18.583 19.000 -0.016 0.000 0.810 236 A HN 0.331 nan 8.150 nan 0.000 0.445 237 R N 0.056 120.515 120.500 -0.070 0.000 2.066 237 R HA 0.030 4.370 4.340 0.000 0.000 0.232 237 R C 1.903 178.077 176.300 -0.211 0.000 1.131 237 R CA 1.565 57.610 56.100 -0.091 0.000 0.955 237 R CB -0.743 29.529 30.300 -0.048 0.000 0.851 237 R HN 0.500 nan 8.270 nan 0.000 0.432 238 L N -0.425 120.624 121.223 -0.289 0.000 2.046 238 L HA -0.157 4.183 4.340 0.000 0.000 0.208 238 L C 2.302 179.040 176.870 -0.221 0.000 1.077 238 L CA 1.051 55.657 54.840 -0.390 0.000 0.747 238 L CB -0.539 41.330 42.059 -0.317 0.000 0.896 238 L HN 0.054 nan 8.230 nan 0.000 0.432 239 V N 0.080 119.910 119.914 -0.140 0.000 2.332 239 V HA -0.330 3.790 4.120 0.000 0.000 0.248 239 V C 2.729 178.776 176.094 -0.078 0.000 1.055 239 V CA 2.084 64.330 62.300 -0.091 0.000 1.038 239 V CB -0.680 31.105 31.823 -0.065 0.000 0.651 239 V HN 0.487 nan 8.190 nan 0.000 0.450 240 R N 0.110 120.563 120.500 -0.079 0.000 2.096 240 R HA -0.138 4.202 4.340 0.000 0.000 0.235 240 R C 2.262 178.538 176.300 -0.040 0.000 1.127 240 R CA 1.576 57.645 56.100 -0.052 0.000 0.968 240 R CB -0.387 29.888 30.300 -0.042 0.000 0.861 240 R HN 0.483 nan 8.270 nan 0.000 0.440 241 A N 1.163 123.941 122.820 -0.071 0.000 1.933 241 A HA -0.117 4.203 4.320 0.000 0.000 0.218 241 A C 2.125 179.697 177.584 -0.019 0.000 1.175 241 A CA 1.328 53.350 52.037 -0.024 0.000 0.628 241 A CB -0.403 18.541 19.000 -0.094 0.000 0.814 241 A HN 0.362 nan 8.150 nan 0.000 0.444 242 I N -1.123 119.416 120.570 -0.052 0.000 2.286 242 I HA -0.181 3.989 4.170 0.000 0.000 0.245 242 I C 2.222 178.328 176.117 -0.019 0.000 1.104 242 I CA 0.702 61.982 61.300 -0.033 0.000 1.397 242 I CB -0.281 37.692 38.000 -0.046 0.000 1.072 242 I HN 0.208 nan 8.210 nan 0.000 0.417 243 L N 0.605 121.814 121.223 -0.023 0.000 2.093 243 L HA -0.138 4.202 4.340 0.000 0.000 0.208 243 L C 2.504 179.371 176.870 -0.006 0.000 1.085 243 L CA 2.154 56.985 54.840 -0.015 0.000 0.755 243 L CB -0.994 41.053 42.059 -0.019 0.000 0.904 243 L HN 0.397 nan 8.230 nan 0.000 0.435 244 T N -5.043 109.509 114.554 -0.003 0.000 3.122 244 T HA 0.107 4.457 4.350 0.000 0.000 0.250 244 T C 0.676 175.383 174.700 0.012 0.000 1.067 244 T CA 0.230 62.333 62.100 0.005 0.000 0.966 244 T CB -0.346 68.527 68.868 0.008 0.000 1.002 244 T HN 0.238 nan 8.240 nan 0.000 0.542 245 D N 1.572 121.979 120.400 0.012 0.000 2.697 245 D HA -0.206 4.434 4.640 0.000 0.000 0.235 245 D C 0.746 177.063 176.300 0.027 0.000 1.167 245 D CA 0.931 54.942 54.000 0.017 0.000 0.656 245 D CB -1.280 39.528 40.800 0.013 0.000 1.025 245 D HN 0.742 nan 8.370 nan 0.000 0.419 246 E N 0.955 121.180 120.200 0.041 0.000 2.150 246 E HA -0.229 4.121 4.350 0.000 0.000 0.193 246 E C 0.488 177.123 176.600 0.059 0.000 0.985 246 E CA 1.227 57.662 56.400 0.058 0.000 0.814 246 E CB 0.127 29.885 29.700 0.097 0.000 0.752 246 E HN 0.340 nan 8.360 nan 0.000 0.466 247 K N -0.570 119.869 120.400 0.064 0.000 3.129 247 K HA -0.146 4.174 4.320 0.000 0.000 0.273 247 K C 0.002 176.633 176.600 0.052 0.000 1.123 247 K CA 0.801 57.119 56.287 0.051 0.000 0.800 247 K CB -2.507 30.010 32.500 0.028 0.000 1.238 247 K HN 0.327 nan 8.250 nan 0.000 0.492 248 G N -0.114 108.754 108.800 0.114 0.000 2.537 248 G HA2 0.466 4.426 3.960 0.000 0.000 0.273 248 G HA3 0.466 4.426 3.960 0.000 0.000 0.273 248 G C -0.143 174.711 174.900 -0.077 0.000 1.189 248 G CA -0.594 44.519 45.100 0.021 0.000 0.881 248 G HN 0.034 nan 8.290 nan 0.000 0.535 249 V N 1.562 121.266 119.914 -0.350 0.000 2.333 249 V HA 0.368 4.488 4.120 0.000 0.000 0.274 249 V C -1.040 174.752 176.094 -0.504 0.000 1.028 249 V CA -0.317 61.811 62.300 -0.286 0.000 0.851 249 V CB -0.219 31.491 31.823 -0.188 0.000 1.000 249 V HN 0.560 nan 8.190 nan 0.000 0.456 250 Y N 1.486 121.765 120.300 -0.035 0.000 2.462 250 Y HA 0.434 4.984 4.550 0.000 0.000 0.346 250 Y C 0.839 176.702 175.900 -0.061 0.000 0.976 250 Y CA -1.172 56.912 58.100 -0.026 0.000 1.044 250 Y CB 2.008 40.450 38.460 -0.029 0.000 1.230 250 Y HN 0.582 nan 8.280 nan 0.000 0.455 251 T N 0.529 115.137 114.554 0.089 0.000 3.455 251 T HA 0.467 4.817 4.350 0.000 0.000 0.286 251 T C -0.130 174.569 174.700 -0.002 0.000 1.157 251 T CA -0.542 61.545 62.100 -0.022 0.000 1.090 251 T CB -1.539 67.317 68.868 -0.019 0.000 1.112 251 T HN 0.496 nan 8.240 nan 0.000 0.779 252 V N 0.019 119.929 119.914 -0.007 0.000 2.975 252 V HA 0.798 4.918 4.120 0.000 0.000 0.318 252 V C 0.335 176.403 176.094 -0.043 0.000 1.077 252 V CA -1.175 61.111 62.300 -0.024 0.000 1.000 252 V CB 1.596 33.407 31.823 -0.020 0.000 1.066 252 V HN 0.592 nan 8.190 nan 0.000 0.452 253 S N 1.191 116.868 115.700 -0.038 0.000 2.499 253 S HA 0.822 5.292 4.470 0.000 0.000 0.279 253 S C -0.199 174.388 174.600 -0.021 0.000 1.219 253 S CA 0.310 58.492 58.200 -0.030 0.000 1.062 253 S CB 0.363 63.556 63.200 -0.012 0.000 0.978 253 S HN 1.912 nan 8.310 nan 0.000 0.489 254 A N 3.686 126.488 122.820 -0.030 0.000 2.606 254 A HA 0.635 4.955 4.320 0.000 0.000 0.293 254 A C -1.092 176.477 177.584 -0.026 0.000 1.082 254 A CA -0.814 51.211 52.037 -0.019 0.000 0.685 254 A CB 0.568 19.546 19.000 -0.037 0.000 1.284 254 A HN 0.888 nan 8.150 nan 0.000 0.408 255 F N 2.179 121.999 119.950 -0.216 0.000 2.557 255 F HA 0.390 4.917 4.527 0.000 0.000 0.384 255 F C 0.380 176.055 175.800 -0.208 0.000 1.057 255 F CA 1.027 58.857 58.000 -0.282 0.000 1.169 255 F CB 0.445 39.018 39.000 -0.711 0.000 1.070 255 F HN 0.424 nan 8.300 nan 0.000 0.554 256 T N 8.736 122.922 114.554 -0.613 0.000 2.771 256 T HA 0.248 4.598 4.350 0.000 0.000 0.281 256 T C -1.895 172.446 174.700 -0.598 0.000 0.982 256 T CA -1.175 60.668 62.100 -0.428 0.000 0.978 256 T CB 1.676 70.395 68.868 -0.249 0.000 0.930 256 T HN 0.343 nan 8.240 nan 0.000 0.447 257 P HA 0.026 nan 4.420 nan 0.000 0.219 257 P C 0.278 177.501 177.300 -0.129 0.000 1.150 257 P CA 0.906 63.892 63.100 -0.191 0.000 0.814 257 P CB 0.427 32.119 31.700 -0.013 0.000 0.787 258 E N -0.535 119.607 120.200 -0.096 0.000 2.343 258 E HA 0.331 4.681 4.350 0.000 0.000 0.286 258 E C -2.055 174.528 176.600 -0.028 0.000 0.915 258 E CA -0.672 55.697 56.400 -0.050 0.000 0.784 258 E CB 2.056 31.745 29.700 -0.019 0.000 1.251 258 E HN -0.227 nan 8.360 nan 0.000 0.407 259 V N 4.479 124.376 119.914 -0.028 0.000 2.509 259 V HA 0.353 4.473 4.120 0.000 0.000 0.289 259 V C -0.339 175.757 176.094 0.002 0.000 1.026 259 V CA -0.120 62.177 62.300 -0.005 0.000 0.872 259 V CB 1.205 33.012 31.823 -0.027 0.000 1.017 259 V HN 0.861 nan 8.190 nan 0.000 0.436 260 E N 4.631 124.840 120.200 0.014 0.000 2.360 260 E HA -0.170 4.180 4.350 0.000 0.000 0.238 260 E C 1.034 177.640 176.600 0.009 0.000 1.186 260 E CA 1.986 58.395 56.400 0.014 0.000 0.719 260 E CB -1.195 28.517 29.700 0.019 0.000 1.236 260 E HN 2.010 nan 8.360 nan 0.000 0.386 261 G N -2.702 106.102 108.800 0.006 0.000 2.659 261 G HA2 -0.280 3.681 3.960 0.000 0.000 0.202 261 G HA3 -0.280 3.681 3.960 0.000 0.000 0.202 261 G C 0.241 175.147 174.900 0.009 0.000 1.186 261 G CA -0.321 44.784 45.100 0.008 0.000 0.783 261 G HN 0.635 nan 8.290 nan 0.000 0.521 262 V N 3.072 122.990 119.914 0.007 0.000 2.715 262 V HA 0.522 4.642 4.120 0.000 0.000 0.299 262 V C 1.019 177.108 176.094 -0.009 0.000 1.054 262 V CA 0.167 62.474 62.300 0.011 0.000 1.077 262 V CB 1.351 33.180 31.823 0.010 0.000 0.972 262 V HN 0.448 nan 8.190 nan 0.000 0.484 263 L N 2.649 123.875 121.223 0.006 0.000 2.332 263 L HA 0.477 4.817 4.340 0.000 0.000 0.269 263 L C 0.636 177.473 176.870 -0.054 0.000 1.016 263 L CA -0.801 54.028 54.840 -0.018 0.000 0.809 263 L CB 1.130 43.206 42.059 0.030 0.000 1.280 263 L HN 0.692 nan 8.230 nan 0.000 0.447 264 E N 0.659 120.772 120.200 -0.145 0.000 2.173 264 E HA -0.214 4.136 4.350 0.000 0.000 0.160 264 E C -0.903 175.536 176.600 -0.270 0.000 1.581 264 E CA 0.221 56.450 56.400 -0.284 0.000 0.618 264 E CB -0.623 29.222 29.700 0.241 0.000 1.049 264 E HN 0.267 nan 8.360 nan 0.000 0.311 265 V N 0.511 120.151 119.914 -0.456 0.000 2.925 265 V HA 0.481 4.601 4.120 0.000 0.000 0.311 265 V C -0.683 175.256 176.094 -0.258 0.000 1.104 265 V CA -0.522 61.655 62.300 -0.206 0.000 0.954 265 V CB 2.710 34.480 31.823 -0.088 0.000 1.022 265 V HN 0.221 nan 8.190 nan 0.000 0.427 266 S N 6.593 122.251 115.700 -0.069 0.000 2.437 266 S HA 0.849 5.319 4.470 0.000 0.000 0.305 266 S C -0.525 174.060 174.600 -0.026 0.000 1.109 266 S CA -0.471 57.707 58.200 -0.037 0.000 1.099 266 S CB 0.843 64.086 63.200 0.072 0.000 1.004 266 S HN 0.991 nan 8.310 nan 0.000 0.475 267 L N -0.168 121.028 121.223 -0.046 0.000 2.801 267 L HA 0.727 5.067 4.340 0.000 0.000 0.264 267 L C -0.915 175.928 176.870 -0.045 0.000 1.086 267 L CA -1.043 53.779 54.840 -0.029 0.000 0.920 267 L CB 1.486 43.527 42.059 -0.030 0.000 1.529 267 L HN 0.344 nan 8.230 nan 0.000 0.399 268 S N 1.153 116.830 115.700 -0.038 0.000 2.489 268 S HA 0.797 5.267 4.470 0.000 0.000 0.277 268 S C -0.437 174.102 174.600 -0.103 0.000 1.230 268 S CA -0.386 57.777 58.200 -0.060 0.000 1.053 268 S CB 0.483 63.659 63.200 -0.039 0.000 0.955 268 S HN 0.408 nan 8.310 nan 0.000 0.488 269 L N 3.759 124.894 121.223 -0.148 0.000 2.424 269 L HA 0.467 4.807 4.340 0.000 0.000 0.258 269 L C -2.713 173.984 176.870 -0.289 0.000 0.995 269 L CA -2.698 52.000 54.840 -0.237 0.000 0.821 269 L CB 2.479 44.388 42.059 -0.251 0.000 1.383 269 L HN 0.332 nan 8.230 nan 0.000 0.410 270 P HA 0.189 nan 4.420 nan 0.000 0.265 270 P C -1.176 175.956 177.300 -0.281 0.000 1.222 270 P CA 0.158 62.998 63.100 -0.434 0.000 0.767 270 P CB 0.395 31.661 31.700 -0.722 0.000 0.801 271 R N 2.977 123.384 120.500 -0.155 0.000 2.854 271 R HA 0.561 4.901 4.340 0.000 0.000 0.271 271 R C -0.266 176.017 176.300 -0.029 0.000 0.994 271 R CA -1.155 54.883 56.100 -0.103 0.000 0.945 271 R CB 1.973 32.227 30.300 -0.078 0.000 1.194 271 R HN 0.395 nan 8.270 nan 0.000 0.476 272 I N 3.070 123.627 120.570 -0.021 0.000 2.301 272 I HA 0.132 4.303 4.170 0.000 0.000 0.292 272 I C -0.470 175.676 176.117 0.049 0.000 1.046 272 I CA -0.588 60.721 61.300 0.016 0.000 1.282 272 I CB 0.862 38.863 38.000 0.002 0.000 1.409 272 I HN 0.179 nan 8.210 nan 0.000 0.484 273 L N 7.455 128.746 121.223 0.115 0.000 2.282 273 L HA 0.801 5.141 4.340 0.000 0.000 0.288 273 L C 0.136 177.049 176.870 0.072 0.000 1.033 273 L CA 0.424 55.320 54.840 0.093 0.000 0.807 273 L CB 1.084 43.208 42.059 0.109 0.000 1.209 273 L HN 0.620 nan 8.230 nan 0.000 0.423 274 G N 2.473 111.293 108.800 0.033 0.000 3.135 274 G HA2 0.536 4.496 3.960 0.000 0.000 0.278 274 G HA3 0.536 4.496 3.960 0.000 0.000 0.278 274 G C 0.225 175.130 174.900 0.008 0.000 1.302 274 G CA -0.121 44.994 45.100 0.025 0.000 0.880 274 G HN 0.788 nan 8.290 nan 0.000 0.574 275 A N -1.095 121.730 122.820 0.007 0.000 2.076 275 A HA 0.234 4.554 4.320 0.000 0.000 0.220 275 A C 1.992 179.576 177.584 -0.000 0.000 1.160 275 A CA 2.237 54.275 52.037 0.001 0.000 0.653 275 A CB -0.473 18.529 19.000 0.004 0.000 0.801 275 A HN 1.426 nan 8.150 nan 0.000 0.455 276 G N -1.876 106.926 108.800 0.003 0.000 3.502 276 G HA2 0.505 4.465 3.960 0.000 0.000 0.267 276 G HA3 0.505 4.465 3.960 0.000 0.000 0.267 276 G C 0.762 175.664 174.900 0.003 0.000 1.090 276 G CA 0.508 45.611 45.100 0.004 0.000 0.795 276 G HN 1.511 nan 8.290 nan 0.000 0.535 277 G N -0.436 108.363 108.800 -0.001 0.000 2.545 277 G HA2 0.056 4.016 3.960 0.000 0.000 0.216 277 G HA3 0.056 4.016 3.960 0.000 0.000 0.216 277 G C 0.171 175.071 174.900 0.001 0.000 1.314 277 G CA -0.120 44.977 45.100 -0.004 0.000 0.906 277 G HN 1.407 nan 8.290 nan 0.000 0.563 278 V N -1.634 118.279 119.914 -0.003 0.000 2.599 278 V HA 0.569 4.689 4.120 0.000 0.000 0.300 278 V C 1.078 177.173 176.094 0.001 0.000 1.034 278 V CA 1.534 63.833 62.300 -0.003 0.000 1.115 278 V CB 1.436 33.249 31.823 -0.017 0.000 0.934 278 V HN 1.041 nan 8.190 nan 0.000 0.485 279 E N 2.840 123.043 120.200 0.005 0.000 2.490 279 E HA 0.435 4.785 4.350 0.000 0.000 0.209 279 E C 0.673 177.278 176.600 0.008 0.000 0.971 279 E CA 0.536 56.942 56.400 0.009 0.000 0.988 279 E CB 0.934 30.642 29.700 0.014 0.000 1.029 279 E HN 1.099 nan 8.360 nan 0.000 0.496 280 G N -0.582 108.215 108.800 -0.005 0.000 2.523 280 G HA2 0.335 4.295 3.960 0.000 0.000 0.291 280 G HA3 0.335 4.295 3.960 0.000 0.000 0.291 280 G C -1.149 173.715 174.900 -0.059 0.000 1.450 280 G CA -0.598 44.497 45.100 -0.008 0.000 0.790 280 G HN -0.049 nan 8.290 nan 0.000 0.496 281 T N -0.163 114.336 114.554 -0.091 0.000 2.876 281 T HA 0.612 4.962 4.350 0.000 0.000 0.289 281 T C -0.679 173.796 174.700 -0.375 0.000 1.014 281 T CA -0.455 61.467 62.100 -0.296 0.000 0.986 281 T CB 1.959 70.550 68.868 -0.461 0.000 1.021 281 T HN 0.583 nan 8.240 nan 0.000 0.458 282 V N 3.631 123.280 119.914 -0.442 0.000 2.350 282 V HA 0.319 4.439 4.120 0.000 0.000 0.285 282 V C -1.219 174.653 176.094 -0.370 0.000 1.014 282 V CA -0.953 61.185 62.300 -0.269 0.000 0.831 282 V CB 0.294 32.039 31.823 -0.129 0.000 1.000 282 V HN 0.818 nan 8.190 nan 0.000 0.433 283 Y N 6.590 126.866 120.300 -0.040 0.000 2.556 283 Y HA 0.449 4.999 4.550 0.000 0.000 0.352 283 Y C -1.093 174.809 175.900 0.004 0.000 1.006 283 Y CA -2.645 55.436 58.100 -0.033 0.000 1.277 283 Y CB -0.172 38.276 38.460 -0.021 0.000 1.136 283 Y HN 0.497 nan 8.280 nan 0.000 0.523 284 P HA 0.188 nan 4.420 nan 0.000 0.276 284 P C -0.677 176.704 177.300 0.135 0.000 1.261 284 P CA -0.647 62.539 63.100 0.144 0.000 0.800 284 P CB 1.253 33.069 31.700 0.194 0.000 1.066 285 S N 0.591 116.367 115.700 0.127 0.000 2.430 285 S HA 0.473 4.943 4.470 0.000 0.000 0.289 285 S C 0.106 174.772 174.600 0.110 0.000 1.143 285 S CA -0.778 57.486 58.200 0.105 0.000 1.067 285 S CB -0.285 62.968 63.200 0.089 0.000 0.964 285 S HN 0.296 nan 8.310 nan 0.000 0.485 286 L N 3.275 124.557 121.223 0.099 0.000 2.334 286 L HA 0.533 4.873 4.340 0.000 0.000 0.275 286 L C 0.889 177.810 176.870 0.086 0.000 1.036 286 L CA -0.790 54.110 54.840 0.100 0.000 0.807 286 L CB 1.592 43.704 42.059 0.089 0.000 1.231 286 L HN 0.864 nan 8.230 nan 0.000 0.438 287 S N 1.149 116.904 115.700 0.093 0.000 2.600 287 S HA 0.265 4.735 4.470 0.000 0.000 0.265 287 S C -1.925 172.711 174.600 0.060 0.000 1.325 287 S CA -0.978 57.267 58.200 0.075 0.000 1.002 287 S CB 0.774 64.023 63.200 0.081 0.000 0.921 287 S HN 0.430 nan 8.310 nan 0.000 0.554 288 P HA -0.153 nan 4.420 nan 0.000 0.216 288 P C 1.059 178.381 177.300 0.036 0.000 1.154 288 P CA 1.605 64.727 63.100 0.036 0.000 0.865 288 P CB -0.033 31.683 31.700 0.028 0.000 0.789 289 E N -0.185 120.038 120.200 0.039 0.000 2.017 289 E HA -0.187 4.163 4.350 0.000 0.000 0.193 289 E C 2.004 178.632 176.600 0.047 0.000 0.997 289 E CA 1.225 57.647 56.400 0.037 0.000 0.804 289 E CB -0.828 28.892 29.700 0.034 0.000 0.757 289 E HN 0.390 nan 8.360 nan 0.000 0.448 290 E N 0.734 120.973 120.200 0.065 0.000 2.114 290 E HA -0.238 4.112 4.350 0.000 0.000 0.199 290 E C 2.140 178.774 176.600 0.057 0.000 1.008 290 E CA 0.921 57.366 56.400 0.075 0.000 0.810 290 E CB -0.133 29.629 29.700 0.104 0.000 0.739 290 E HN 0.122 nan 8.360 nan 0.000 0.456 291 R N 0.937 121.468 120.500 0.052 0.000 2.080 291 R HA -0.141 4.199 4.340 0.000 0.000 0.236 291 R C 2.131 178.451 176.300 0.033 0.000 1.137 291 R CA 1.127 57.252 56.100 0.042 0.000 0.943 291 R CB -0.569 29.754 30.300 0.039 0.000 0.846 291 R HN 0.269 nan 8.270 nan 0.000 0.431 292 E N 0.879 121.097 120.200 0.030 0.000 2.038 292 E HA -0.142 4.208 4.350 0.000 0.000 0.195 292 E C 2.072 178.686 176.600 0.023 0.000 1.000 292 E CA 1.428 57.843 56.400 0.023 0.000 0.803 292 E CB -0.518 29.195 29.700 0.021 0.000 0.750 292 E HN 0.304 nan 8.360 nan 0.000 0.448 293 A N 1.551 124.387 122.820 0.027 0.000 1.892 293 A HA -0.216 4.105 4.320 0.000 0.000 0.218 293 A C 2.310 179.908 177.584 0.024 0.000 1.188 293 A CA 1.886 53.939 52.037 0.026 0.000 0.631 293 A CB -0.811 18.209 19.000 0.033 0.000 0.822 293 A HN 0.261 nan 8.150 nan 0.000 0.447 294 L N -0.409 120.829 121.223 0.026 0.000 2.083 294 L HA -0.128 4.212 4.340 0.000 0.000 0.209 294 L C 2.452 179.331 176.870 0.016 0.000 1.083 294 L CA 2.320 57.173 54.840 0.020 0.000 0.752 294 L CB -0.565 41.508 42.059 0.023 0.000 0.899 294 L HN 0.438 nan 8.230 nan 0.000 0.433 295 R N -0.301 120.209 120.500 0.018 0.000 2.066 295 R HA -0.136 4.204 4.340 0.000 0.000 0.232 295 R C 2.414 178.723 176.300 0.015 0.000 1.131 295 R CA 1.117 57.226 56.100 0.015 0.000 0.955 295 R CB -0.532 29.778 30.300 0.016 0.000 0.851 295 R HN 0.320 nan 8.270 nan 0.000 0.432 296 R N 0.639 121.148 120.500 0.015 0.000 2.082 296 R HA -0.106 4.234 4.340 0.000 0.000 0.234 296 R C 2.228 178.538 176.300 0.016 0.000 1.136 296 R CA 2.140 58.249 56.100 0.015 0.000 0.935 296 R CB -1.031 29.277 30.300 0.014 0.000 0.842 296 R HN 0.271 nan 8.270 nan 0.000 0.430 297 S N 0.028 115.738 115.700 0.016 0.000 2.370 297 S HA -0.145 4.325 4.470 0.000 0.000 0.226 297 S C 2.009 176.620 174.600 0.018 0.000 1.033 297 S CA 1.574 59.785 58.200 0.017 0.000 1.011 297 S CB -0.309 62.901 63.200 0.017 0.000 0.852 297 S HN 0.512 nan 8.310 nan 0.000 0.457 298 A N 0.746 123.574 122.820 0.014 0.000 2.024 298 A HA -0.128 4.192 4.320 0.000 0.000 0.220 298 A C 2.010 179.607 177.584 0.021 0.000 1.164 298 A CA 1.735 53.777 52.037 0.010 0.000 0.643 298 A CB -0.560 18.441 19.000 0.002 0.000 0.806 298 A HN 0.762 nan 8.150 nan 0.000 0.451 299 E N -0.464 119.751 120.200 0.026 0.000 2.086 299 E HA -0.033 4.317 4.350 0.000 0.000 0.190 299 E C 1.848 178.475 176.600 0.045 0.000 0.975 299 E CA 0.777 57.200 56.400 0.038 0.000 0.813 299 E CB -0.265 29.452 29.700 0.028 0.000 0.768 299 E HN 0.671 nan 8.360 nan 0.000 0.457 300 I N 1.451 122.042 120.570 0.034 0.000 2.185 300 I HA -0.343 3.827 4.170 0.000 0.000 0.246 300 I C 2.321 178.467 176.117 0.049 0.000 1.088 300 I CA 1.307 62.629 61.300 0.036 0.000 1.347 300 I CB -0.309 37.707 38.000 0.027 0.000 1.041 300 I HN 0.126 nan 8.210 nan 0.000 0.415 301 L N 0.022 121.273 121.223 0.048 0.000 2.131 301 L HA -0.154 4.186 4.340 0.000 0.000 0.206 301 L C 2.573 179.494 176.870 0.087 0.000 1.087 301 L CA 0.867 55.741 54.840 0.056 0.000 0.767 301 L CB -0.497 41.585 42.059 0.039 0.000 0.917 301 L HN 0.133 nan 8.230 nan 0.000 0.441 302 K N 0.887 121.343 120.400 0.093 0.000 2.026 302 K HA -0.223 4.097 4.320 0.000 0.000 0.208 302 K C 1.943 178.683 176.600 0.232 0.000 1.048 302 K CA 1.638 58.012 56.287 0.145 0.000 0.929 302 K CB -0.087 32.493 32.500 0.134 0.000 0.713 302 K HN 0.020 nan 8.250 nan 0.000 0.439 303 E N -0.195 120.113 120.200 0.179 0.000 2.072 303 E HA -0.016 4.334 4.350 0.000 0.000 0.191 303 E C 1.805 178.519 176.600 0.190 0.000 0.985 303 E CA 1.434 57.941 56.400 0.178 0.000 0.801 303 E CB -0.428 29.311 29.700 0.065 0.000 0.750 303 E HN 0.403 nan 8.360 nan 0.000 0.452 304 A N 0.677 123.577 122.820 0.132 0.000 1.908 304 A HA -0.172 4.149 4.320 0.000 0.000 0.218 304 A C 2.358 180.032 177.584 0.151 0.000 1.181 304 A CA 2.169 54.274 52.037 0.114 0.000 0.627 304 A CB -0.905 18.141 19.000 0.076 0.000 0.818 304 A HN 0.314 nan 8.150 nan 0.000 0.445 305 A N -1.885 121.036 122.820 0.169 0.000 1.968 305 A HA 0.090 4.410 4.320 0.000 0.000 0.217 305 A C 1.957 179.670 177.584 0.216 0.000 1.169 305 A CA 1.334 53.486 52.037 0.191 0.000 0.638 305 A CB -0.586 18.515 19.000 0.169 0.000 0.812 305 A HN 0.478 nan 8.150 nan 0.000 0.446 306 F N 0.714 120.726 119.950 0.102 0.000 2.051 306 F HA -0.064 4.463 4.527 0.000 0.000 0.296 306 F C 2.693 178.523 175.800 0.049 0.000 1.122 306 F CA 1.095 59.138 58.000 0.073 0.000 1.201 306 F CB -0.676 38.355 39.000 0.052 0.000 0.978 306 F HN 0.242 nan 8.300 nan 0.000 0.472 307 A N -0.518 122.497 122.820 0.324 0.000 2.024 307 A HA -0.198 4.122 4.320 0.000 0.000 0.220 307 A C 2.008 179.674 177.584 0.136 0.000 1.164 307 A CA 1.689 53.838 52.037 0.185 0.000 0.643 307 A CB -1.079 17.991 19.000 0.117 0.000 0.806 307 A HN 0.429 nan 8.150 nan 0.000 0.451 308 L N -1.395 119.921 121.223 0.156 0.000 2.492 308 L HA 0.273 4.613 4.340 0.000 0.000 0.223 308 L C 1.457 178.359 176.870 0.053 0.000 1.132 308 L CA 1.497 56.431 54.840 0.157 0.000 0.850 308 L CB -0.207 42.008 42.059 0.260 0.000 0.966 308 L HN 0.731 nan 8.230 nan 0.000 0.454 309 G N -2.135 106.650 108.800 -0.025 0.000 2.140 309 G HA2 -0.258 3.702 3.960 0.000 0.000 0.211 309 G HA3 -0.258 3.702 3.960 0.000 0.000 0.211 309 G C 0.051 174.592 174.900 -0.599 0.000 1.013 309 G CA 0.159 45.088 45.100 -0.284 0.000 0.705 309 G HN 0.221 nan 8.290 nan 0.000 0.508 310 F N 0.000 119.914 119.950 -0.061 0.000 2.286 310 F HA 0.000 4.527 4.527 0.000 0.000 0.279 310 F CA 0.000 57.961 58.000 -0.065 0.000 1.383 310 F CB 0.000 38.994 39.000 -0.010 0.000 1.145 310 F HN 0.000 nan 8.300 nan 0.000 0.574